USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=35 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 -170:sc= 0 USER MOD Set 1.2: A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 48 HIS : no HE2:sc= -1.35 K(o=-0.75,f=-2.6) USER MOD Set 2.2: A 82 THR OG1 : rot 109:sc= 0.6 USER MOD Set 3.1: A 73 TYR OH : rot 69:sc= 1.84 USER MOD Set 3.2: A 115 TYR OH : rot -144:sc= 0.485 USER MOD Set 4.1: A 30 MET CE :methyl 169:sc= -1.72 (180deg=-1.02) USER MOD Set 4.2: A 44 ASN : amide:sc= -6.06! C(o=-7.8!,f=-10!) USER MOD Set 5.1: A 24 THR OG1 : rot 180:sc= 0.0408 USER MOD Set 5.2: A 28 GLN : amide:sc= 0 X(o=0.041,f=0.061) USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0262) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1 K(o=-1,f=-0.37) USER MOD Single : A 11 GLN : amide:sc= -0.0421 K(o=-0.042,f=-3.2!) USER MOD Single : A 12 HIS : no HD1:sc= -11.5! C(o=-12!,f=-9.5!) USER MOD Single : A 13 MET CE :methyl -160:sc= -0.823 (180deg=-1.8) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.196 USER MOD Single : A 20 SER OG : rot -56:sc= 0.24 USER MOD Single : A 21 SER OG : rot -120:sc= 0.375 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -162:sc= -0.862 USER MOD Single : A 27 ASN : amide:sc= -3.34! C(o=-3.3!,f=-4.1!) USER MOD Single : A 29 MET CE :methyl 156:sc= -0.0678 (180deg=-0.694) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 140:sc= -0.868 USER MOD Single : A 37 GLN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -122:sc= -0.39 (180deg=-0.827) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 55 GLN : amide:sc= -10.2! C(o=-10!,f=-5.4!) USER MOD Single : A 56 ASN : amide:sc= 0.395 K(o=0.39,f=-0.37) USER MOD Single : A 60 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.37) 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 67 ASN : amide:sc= -2.22 K(o=-2.2,f=-0.31) USER MOD Single : A 69 GLN : amide:sc= 0.131 X(o=0.13,f=-0.23) USER MOD Single : A 71 ASN : amide:sc= -1.73! X(o=-1.7!,f=-1.9) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 112:sc= 0.164 USER MOD Single : A 76 ASN : amide:sc= -2.25! K(o=-2.3!,f=-1) 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 145:sc= -0.726 (180deg=-2.56) USER MOD Single : A 80 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-0.47) USER MOD Single : A 90 SER OG : rot 98:sc= -1.35 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.46! C(o=-2.5!,f=-1.3!) USER MOD Single : A 97 TYR OH : rot 48:sc= -0.0685! USER MOD Single : A 99 THR OG1 : rot 159:sc= 1.4 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 HE2:sc= -0.823! C(o=-0.82!,f=-3.7!) USER MOD Single : A 113 SER OG : rot 40:sc= 0.0125 USER MOD Single : A 119 HIS : no HE2:sc= -4.61! C(o=-4.6!,f=-2!) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0123 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -3.758 0.212 -7.748 1.00 11.52 N ATOM 50 CA ARG A 4 -4.845 -0.737 -7.542 1.00 13.35 C ATOM 51 C ARG A 4 -4.939 -1.717 -8.707 1.00 35.10 C ATOM 52 O ARG A 4 -5.213 -2.901 -8.514 1.00 64.42 O ATOM 53 CB ARG A 4 -6.173 0.004 -7.376 1.00 13.40 C ATOM 54 CG ARG A 4 -7.369 -0.919 -7.209 1.00 12.34 C ATOM 55 CD ARG A 4 -8.400 -0.328 -6.259 1.00 70.23 C ATOM 56 NE ARG A 4 -8.394 -0.996 -4.961 1.00 20.14 N ATOM 57 CZ ARG A 4 -8.819 -0.426 -3.839 1.00 12.42 C ATOM 58 NH1 ARG A 4 -9.282 0.817 -3.857 1.00 73.42 N ATOM 59 NH2 ARG A 4 -8.782 -1.098 -2.696 1.00 32.24 N ATOM 0 HA ARG A 4 -4.635 -1.300 -6.632 1.00 13.35 H new ATOM 0 HB2 ARG A 4 -6.107 0.660 -6.508 1.00 13.40 H new ATOM 0 HB3 ARG A 4 -6.335 0.641 -8.246 1.00 13.40 H new ATOM 0 HG2 ARG A 4 -7.829 -1.100 -8.180 1.00 12.34 H new ATOM 0 HG3 ARG A 4 -7.035 -1.885 -6.830 1.00 12.34 H new ATOM 0 HD2 ARG A 4 -8.199 0.734 -6.121 1.00 70.23 H new ATOM 0 HD3 ARG A 4 -9.392 -0.409 -6.704 1.00 70.23 H new ATOM 0 HE ARG A 4 -8.044 -1.953 -4.913 1.00 20.14 H new ATOM 0 HH11 ARG A 4 -9.312 1.337 -4.734 1.00 73.42 H new ATOM 0 HH12 ARG A 4 -9.608 1.252 -2.994 1.00 73.42 H new ATOM 0 HH21 ARG A 4 -8.427 -2.054 -2.678 1.00 32.24 H new ATOM 0 HH22 ARG A 4 -9.109 -0.659 -1.835 1.00 32.24 H new ATOM 73 N ALA A 5 -4.712 -1.215 -9.916 1.00 50.41 N ATOM 74 CA ALA A 5 -4.770 -2.046 -11.112 1.00 44.21 C ATOM 75 C ALA A 5 -3.966 -3.329 -10.928 1.00 52.21 C ATOM 76 O ALA A 5 -4.292 -4.366 -11.506 1.00 20.11 O ATOM 77 CB ALA A 5 -4.261 -1.271 -12.319 1.00 10.35 C ATOM 0 H ALA A 5 -4.486 -0.236 -10.093 1.00 50.41 H new ATOM 0 HA ALA A 5 -5.811 -2.321 -11.283 1.00 44.21 H new ATOM 0 HB1 ALA A 5 -4.310 -1.904 -13.205 1.00 10.35 H new ATOM 0 HB2 ALA A 5 -4.879 -0.386 -12.470 1.00 10.35 H new ATOM 0 HB3 ALA A 5 -3.228 -0.967 -12.147 1.00 10.35 H new ATOM 83 N LYS A 6 -2.914 -3.252 -10.120 1.00 50.24 N ATOM 84 CA LYS A 6 -2.063 -4.407 -9.859 1.00 53.21 C ATOM 85 C LYS A 6 -2.903 -5.648 -9.576 1.00 71.33 C ATOM 86 O LYS A 6 -2.739 -6.683 -10.224 1.00 3.43 O ATOM 87 CB LYS A 6 -1.135 -4.125 -8.675 1.00 74.22 C ATOM 88 CG LYS A 6 0.315 -4.491 -8.939 1.00 1.31 C ATOM 89 CD LYS A 6 0.916 -3.630 -10.037 1.00 44.40 C ATOM 90 CE LYS A 6 2.400 -3.913 -10.218 1.00 11.42 C ATOM 91 NZ LYS A 6 2.642 -5.279 -10.757 1.00 22.42 N ATOM 0 H LYS A 6 -2.630 -2.401 -9.634 1.00 50.24 H new ATOM 0 HA LYS A 6 -1.461 -4.592 -10.749 1.00 53.21 H new ATOM 0 HB2 LYS A 6 -1.194 -3.066 -8.422 1.00 74.22 H new ATOM 0 HB3 LYS A 6 -1.489 -4.680 -7.806 1.00 74.22 H new ATOM 0 HG2 LYS A 6 0.894 -4.371 -8.023 1.00 1.31 H new ATOM 0 HG3 LYS A 6 0.380 -5.542 -9.222 1.00 1.31 H new ATOM 0 HD2 LYS A 6 0.392 -3.816 -10.975 1.00 44.40 H new ATOM 0 HD3 LYS A 6 0.772 -2.577 -9.795 1.00 44.40 H new ATOM 0 HE2 LYS A 6 2.831 -3.174 -10.894 1.00 11.42 H new ATOM 0 HE3 LYS A 6 2.910 -3.805 -9.261 1.00 11.42 H new ATOM 0 HZ1 LYS A 6 3.659 -5.409 -10.930 1.00 22.42 H new ATOM 0 HZ2 LYS A 6 2.314 -5.987 -10.069 1.00 22.42 H new ATOM 0 HZ3 LYS A 6 2.122 -5.397 -11.650 1.00 22.42 H new ATOM 105 N LYS A 7 -3.805 -5.539 -8.606 1.00 44.24 N ATOM 106 CA LYS A 7 -4.673 -6.651 -8.239 1.00 61.11 C ATOM 107 C LYS A 7 -5.283 -7.297 -9.479 1.00 32.32 C ATOM 108 O LYS A 7 -5.464 -8.514 -9.532 1.00 25.02 O ATOM 109 CB LYS A 7 -5.783 -6.170 -7.302 1.00 75.34 C ATOM 110 CG LYS A 7 -5.482 -6.402 -5.832 1.00 4.30 C ATOM 111 CD LYS A 7 -4.991 -5.132 -5.157 1.00 3.00 C ATOM 112 CE LYS A 7 -3.849 -5.418 -4.194 1.00 20.54 C ATOM 113 NZ LYS A 7 -4.304 -5.411 -2.776 1.00 14.11 N ATOM 0 H LYS A 7 -3.954 -4.691 -8.060 1.00 44.24 H new ATOM 0 HA LYS A 7 -4.069 -7.397 -7.723 1.00 61.11 H new ATOM 0 HB2 LYS A 7 -5.949 -5.105 -7.466 1.00 75.34 H new ATOM 0 HB3 LYS A 7 -6.711 -6.681 -7.559 1.00 75.34 H new ATOM 0 HG2 LYS A 7 -6.380 -6.760 -5.328 1.00 4.30 H new ATOM 0 HG3 LYS A 7 -4.728 -7.183 -5.733 1.00 4.30 H new ATOM 0 HD2 LYS A 7 -4.660 -4.421 -5.914 1.00 3.00 H new ATOM 0 HD3 LYS A 7 -5.814 -4.664 -4.618 1.00 3.00 H new ATOM 0 HE2 LYS A 7 -3.410 -6.387 -4.430 1.00 20.54 H new ATOM 0 HE3 LYS A 7 -3.066 -4.672 -4.328 1.00 20.54 H new ATOM 0 HZ1 LYS A 7 -3.497 -5.610 -2.151 1.00 14.11 H new ATOM 0 HZ2 LYS A 7 -4.700 -4.478 -2.543 1.00 14.11 H new ATOM 0 HZ3 LYS A 7 -5.033 -6.140 -2.642 1.00 14.11 H new ATOM 127 N PHE A 8 -5.598 -6.476 -10.475 1.00 0.44 N ATOM 128 CA PHE A 8 -6.187 -6.967 -11.714 1.00 74.54 C ATOM 129 C PHE A 8 -5.141 -7.674 -12.571 1.00 71.41 C ATOM 130 O PHE A 8 -5.465 -8.570 -13.350 1.00 70.13 O ATOM 131 CB PHE A 8 -6.811 -5.813 -12.501 1.00 12.42 C ATOM 132 CG PHE A 8 -7.249 -6.197 -13.885 1.00 61.51 C ATOM 133 CD1 PHE A 8 -8.431 -6.892 -14.084 1.00 55.52 C ATOM 134 CD2 PHE A 8 -6.478 -5.865 -14.987 1.00 51.33 C ATOM 135 CE1 PHE A 8 -8.836 -7.247 -15.357 1.00 21.51 C ATOM 136 CE2 PHE A 8 -6.878 -6.218 -16.263 1.00 3.45 C ATOM 137 CZ PHE A 8 -8.059 -6.909 -16.447 1.00 62.05 C ATOM 0 H PHE A 8 -5.455 -5.466 -10.448 1.00 0.44 H new ATOM 0 HA PHE A 8 -6.966 -7.684 -11.456 1.00 74.54 H new ATOM 0 HB2 PHE A 8 -7.670 -5.431 -11.950 1.00 12.42 H new ATOM 0 HB3 PHE A 8 -6.089 -4.999 -12.570 1.00 12.42 H new ATOM 0 HD1 PHE A 8 -9.043 -7.159 -13.235 1.00 55.52 H new ATOM 0 HD2 PHE A 8 -5.554 -5.324 -14.848 1.00 51.33 H new ATOM 0 HE1 PHE A 8 -9.760 -7.788 -15.499 1.00 21.51 H new ATOM 0 HE2 PHE A 8 -6.268 -5.954 -17.114 1.00 3.45 H new ATOM 0 HZ PHE A 8 -8.375 -7.185 -17.442 1.00 62.05 H new ATOM 147 N GLN A 9 -3.886 -7.264 -12.420 1.00 50.22 N ATOM 148 CA GLN A 9 -2.792 -7.857 -13.181 1.00 13.33 C ATOM 149 C GLN A 9 -2.534 -9.292 -12.734 1.00 2.21 C ATOM 150 O GLN A 9 -2.506 -10.211 -13.552 1.00 35.41 O ATOM 151 CB GLN A 9 -1.520 -7.023 -13.019 1.00 51.23 C ATOM 152 CG GLN A 9 -1.265 -6.072 -14.177 1.00 50.25 C ATOM 153 CD GLN A 9 -1.779 -4.672 -13.907 1.00 54.41 C ATOM 154 OE1 GLN A 9 -1.001 -3.745 -13.681 1.00 41.43 O ATOM 155 NE2 GLN A 9 -3.097 -4.510 -13.929 1.00 33.32 N ATOM 0 H GLN A 9 -3.601 -6.524 -11.778 1.00 50.22 H new ATOM 0 HA GLN A 9 -3.078 -7.869 -14.233 1.00 13.33 H new ATOM 0 HB2 GLN A 9 -1.588 -6.448 -12.096 1.00 51.23 H new ATOM 0 HB3 GLN A 9 -0.667 -7.693 -12.915 1.00 51.23 H new ATOM 0 HG2 GLN A 9 -0.195 -6.029 -14.378 1.00 50.25 H new ATOM 0 HG3 GLN A 9 -1.743 -6.463 -15.075 1.00 50.25 H new ATOM 0 HE21 GLN A 9 -3.706 -5.306 -14.121 1.00 33.32 H new ATOM 0 HE22 GLN A 9 -3.501 -3.590 -13.754 1.00 33.32 H new ATOM 164 N ARG A 10 -2.344 -9.476 -11.431 1.00 54.24 N ATOM 165 CA ARG A 10 -2.086 -10.799 -10.876 1.00 54.13 C ATOM 166 C ARG A 10 -3.364 -11.632 -10.841 1.00 70.55 C ATOM 167 O ARG A 10 -3.379 -12.739 -10.303 1.00 73.12 O ATOM 168 CB ARG A 10 -1.504 -10.679 -9.467 1.00 32.33 C ATOM 169 CG ARG A 10 -0.123 -10.045 -9.430 1.00 32.41 C ATOM 170 CD ARG A 10 0.362 -9.850 -8.002 1.00 50.30 C ATOM 171 NE ARG A 10 -0.410 -8.830 -7.296 1.00 70.35 N ATOM 172 CZ ARG A 10 -0.110 -8.393 -6.079 1.00 4.32 C ATOM 173 NH1 ARG A 10 0.941 -8.883 -5.435 1.00 50.52 N ATOM 174 NH2 ARG A 10 -0.861 -7.463 -5.503 1.00 5.43 N ATOM 0 H ARG A 10 -2.364 -8.725 -10.741 1.00 54.24 H new ATOM 0 HA ARG A 10 -1.363 -11.301 -11.519 1.00 54.13 H new ATOM 0 HB2 ARG A 10 -2.182 -10.088 -8.852 1.00 32.33 H new ATOM 0 HB3 ARG A 10 -1.451 -11.671 -9.019 1.00 32.33 H new ATOM 0 HG2 ARG A 10 0.582 -10.675 -9.972 1.00 32.41 H new ATOM 0 HG3 ARG A 10 -0.149 -9.083 -9.941 1.00 32.41 H new ATOM 0 HD2 ARG A 10 0.292 -10.795 -7.463 1.00 50.30 H new ATOM 0 HD3 ARG A 10 1.414 -9.566 -8.012 1.00 50.30 H new ATOM 0 HE ARG A 10 -1.224 -8.432 -7.764 1.00 70.35 H new ATOM 0 HH11 ARG A 10 1.521 -9.597 -5.875 1.00 50.52 H new ATOM 0 HH12 ARG A 10 1.169 -8.545 -4.500 1.00 50.52 H new ATOM 0 HH21 ARG A 10 -1.670 -7.083 -5.995 1.00 5.43 H new ATOM 0 HH22 ARG A 10 -0.630 -7.128 -4.568 1.00 5.43 H new ATOM 188 N GLN A 11 -4.433 -11.092 -11.418 1.00 63.44 N ATOM 189 CA GLN A 11 -5.715 -11.786 -11.452 1.00 23.23 C ATOM 190 C GLN A 11 -5.916 -12.494 -12.787 1.00 62.53 C ATOM 191 O GLN A 11 -6.128 -13.707 -12.833 1.00 52.43 O ATOM 192 CB GLN A 11 -6.858 -10.800 -11.206 1.00 74.54 C ATOM 193 CG GLN A 11 -7.351 -10.786 -9.768 1.00 41.33 C ATOM 194 CD GLN A 11 -8.613 -9.964 -9.592 1.00 23.21 C ATOM 195 OE1 GLN A 11 -8.753 -8.888 -10.174 1.00 72.20 O ATOM 196 NE2 GLN A 11 -9.540 -10.468 -8.786 1.00 24.14 N ATOM 0 H GLN A 11 -4.437 -10.177 -11.868 1.00 63.44 H new ATOM 0 HA GLN A 11 -5.715 -12.536 -10.661 1.00 23.23 H new ATOM 0 HB2 GLN A 11 -6.527 -9.798 -11.477 1.00 74.54 H new ATOM 0 HB3 GLN A 11 -7.690 -11.050 -11.864 1.00 74.54 H new ATOM 0 HG2 GLN A 11 -7.540 -11.809 -9.443 1.00 41.33 H new ATOM 0 HG3 GLN A 11 -6.568 -10.386 -9.123 1.00 41.33 H new ATOM 0 HE21 GLN A 11 -9.382 -11.364 -8.324 1.00 24.14 H new ATOM 0 HE22 GLN A 11 -10.410 -9.960 -8.629 1.00 24.14 H new ATOM 205 N HIS A 12 -5.848 -11.730 -13.873 1.00 20.40 N ATOM 206 CA HIS A 12 -6.022 -12.285 -15.211 1.00 35.34 C ATOM 207 C HIS A 12 -4.759 -12.098 -16.045 1.00 73.25 C ATOM 208 O HIS A 12 -4.384 -12.973 -16.826 1.00 13.04 O ATOM 209 CB HIS A 12 -7.212 -11.625 -15.909 1.00 3.24 C ATOM 210 CG HIS A 12 -8.317 -11.240 -14.974 1.00 22.13 C ATOM 211 ND1 HIS A 12 -9.471 -11.980 -14.828 1.00 30.22 N ATOM 212 CD2 HIS A 12 -8.438 -10.186 -14.133 1.00 35.42 C ATOM 213 CE1 HIS A 12 -10.256 -11.398 -13.939 1.00 43.40 C ATOM 214 NE2 HIS A 12 -9.652 -10.307 -13.502 1.00 30.24 N ATOM 0 H HIS A 12 -5.674 -10.725 -13.853 1.00 20.40 H new ATOM 0 HA HIS A 12 -6.216 -13.353 -15.112 1.00 35.34 H new ATOM 0 HB2 HIS A 12 -6.866 -10.735 -16.435 1.00 3.24 H new ATOM 0 HB3 HIS A 12 -7.606 -12.308 -16.662 1.00 3.24 H new ATOM 0 HD2 HIS A 12 -7.715 -9.397 -13.986 1.00 35.42 H new ATOM 0 HE1 HIS A 12 -11.226 -11.753 -13.623 1.00 43.40 H new ATOM 0 HE2 HIS A 12 -10.027 -9.660 -12.808 1.00 30.24 H new ATOM 222 N MET A 13 -4.108 -10.952 -15.876 1.00 53.01 N ATOM 223 CA MET A 13 -2.887 -10.651 -16.614 1.00 51.12 C ATOM 224 C MET A 13 -1.758 -11.591 -16.203 1.00 40.35 C ATOM 225 O MET A 13 -1.187 -11.455 -15.121 1.00 52.42 O ATOM 226 CB MET A 13 -2.468 -9.198 -16.379 1.00 34.43 C ATOM 227 CG MET A 13 -3.610 -8.205 -16.528 1.00 25.34 C ATOM 228 SD MET A 13 -4.190 -8.065 -18.229 1.00 14.43 S ATOM 229 CE MET A 13 -2.742 -7.373 -19.025 1.00 34.32 C ATOM 0 H MET A 13 -4.405 -10.217 -15.235 1.00 53.01 H new ATOM 0 HA MET A 13 -3.089 -10.796 -17.675 1.00 51.12 H new ATOM 0 HB2 MET A 13 -2.047 -9.107 -15.378 1.00 34.43 H new ATOM 0 HB3 MET A 13 -1.677 -8.938 -17.083 1.00 34.43 H new ATOM 0 HG2 MET A 13 -4.439 -8.512 -15.890 1.00 25.34 H new ATOM 0 HG3 MET A 13 -3.283 -7.226 -16.178 1.00 25.34 H new ATOM 0 HE1 MET A 13 -3.033 -6.904 -19.965 1.00 34.32 H new ATOM 0 HE2 MET A 13 -2.289 -6.627 -18.372 1.00 34.32 H new ATOM 0 HE3 MET A 13 -2.022 -8.167 -19.223 1.00 34.32 H new ATOM 239 N ASP A 14 -1.441 -12.543 -17.074 1.00 33.35 N ATOM 240 CA ASP A 14 -0.380 -13.505 -16.801 1.00 64.33 C ATOM 241 C ASP A 14 0.740 -13.384 -17.830 1.00 62.42 C ATOM 242 O ASP A 14 1.574 -14.280 -17.963 1.00 3.24 O ATOM 243 CB ASP A 14 -0.939 -14.929 -16.803 1.00 12.30 C ATOM 244 CG ASP A 14 0.151 -15.979 -16.721 1.00 73.32 C ATOM 245 OD1 ASP A 14 0.616 -16.265 -15.598 1.00 74.12 O ATOM 246 OD2 ASP A 14 0.539 -16.515 -17.780 1.00 65.24 O ATOM 0 H ASP A 14 -1.903 -12.669 -17.974 1.00 33.35 H new ATOM 0 HA ASP A 14 0.030 -13.286 -15.815 1.00 64.33 H new ATOM 0 HB2 ASP A 14 -1.620 -15.050 -15.961 1.00 12.30 H new ATOM 0 HB3 ASP A 14 -1.523 -15.086 -17.710 1.00 12.30 H new ATOM 251 N SER A 15 0.751 -12.272 -18.557 1.00 43.33 N ATOM 252 CA SER A 15 1.766 -12.036 -19.578 1.00 55.21 C ATOM 253 C SER A 15 3.105 -12.636 -19.162 1.00 70.21 C ATOM 254 O SER A 15 3.877 -13.101 -20.001 1.00 51.22 O ATOM 255 CB SER A 15 1.923 -10.536 -19.833 1.00 45.40 C ATOM 256 OG SER A 15 2.054 -9.822 -18.616 1.00 21.35 O ATOM 0 H SER A 15 0.069 -11.520 -18.459 1.00 43.33 H new ATOM 0 HA SER A 15 1.441 -12.522 -20.498 1.00 55.21 H new ATOM 0 HB2 SER A 15 2.799 -10.360 -20.457 1.00 45.40 H new ATOM 0 HB3 SER A 15 1.059 -10.165 -20.384 1.00 45.40 H new ATOM 0 HG SER A 15 2.155 -8.866 -18.807 1.00 21.35 H new ATOM 262 N ASP A 16 3.373 -12.623 -17.861 1.00 45.32 N ATOM 263 CA ASP A 16 4.619 -13.166 -17.332 1.00 32.52 C ATOM 264 C ASP A 16 4.953 -14.501 -17.991 1.00 53.12 C ATOM 265 O ASP A 16 5.986 -14.640 -18.645 1.00 41.04 O ATOM 266 CB ASP A 16 4.519 -13.343 -15.816 1.00 22.31 C ATOM 267 CG ASP A 16 5.650 -12.654 -15.077 1.00 74.21 C ATOM 268 OD1 ASP A 16 6.746 -12.520 -15.661 1.00 33.21 O ATOM 269 OD2 ASP A 16 5.438 -12.248 -13.916 1.00 30.04 O ATOM 0 H ASP A 16 2.745 -12.243 -17.153 1.00 45.32 H new ATOM 0 HA ASP A 16 5.419 -12.460 -17.556 1.00 32.52 H new ATOM 0 HB2 ASP A 16 3.566 -12.944 -15.469 1.00 22.31 H new ATOM 0 HB3 ASP A 16 4.526 -14.406 -15.576 1.00 22.31 H new ATOM 274 N SER A 17 4.072 -15.480 -17.813 1.00 75.14 N ATOM 275 CA SER A 17 4.275 -16.805 -18.387 1.00 22.21 C ATOM 276 C SER A 17 4.154 -16.764 -19.907 1.00 42.32 C ATOM 277 O SER A 17 3.879 -15.715 -20.491 1.00 22.24 O ATOM 278 CB SER A 17 3.261 -17.795 -17.810 1.00 62.01 C ATOM 279 OG SER A 17 3.897 -18.751 -16.979 1.00 42.51 O ATOM 0 H SER A 17 3.211 -15.381 -17.276 1.00 75.14 H new ATOM 0 HA SER A 17 5.281 -17.135 -18.129 1.00 22.21 H new ATOM 0 HB2 SER A 17 2.507 -17.255 -17.237 1.00 62.01 H new ATOM 0 HB3 SER A 17 2.741 -18.303 -18.622 1.00 62.01 H new ATOM 0 HG SER A 17 3.227 -19.371 -16.621 1.00 42.51 H new ATOM 285 N SER A 18 4.362 -17.912 -20.543 1.00 30.53 N ATOM 286 CA SER A 18 4.280 -18.008 -21.995 1.00 64.04 C ATOM 287 C SER A 18 3.041 -18.791 -22.420 1.00 3.34 C ATOM 288 O SER A 18 2.362 -19.416 -21.606 1.00 21.55 O ATOM 289 CB SER A 18 5.537 -18.678 -22.555 1.00 51.20 C ATOM 290 OG SER A 18 6.351 -17.743 -23.241 1.00 51.51 O ATOM 0 H SER A 18 4.589 -18.789 -20.075 1.00 30.53 H new ATOM 0 HA SER A 18 4.205 -16.998 -22.397 1.00 64.04 H new ATOM 0 HB2 SER A 18 6.104 -19.131 -21.742 1.00 51.20 H new ATOM 0 HB3 SER A 18 5.253 -19.483 -23.232 1.00 51.20 H new ATOM 0 HG SER A 18 7.148 -18.196 -23.588 1.00 51.51 H new ATOM 296 N PRO A 19 2.739 -18.755 -23.726 1.00 32.51 N ATOM 297 CA PRO A 19 1.581 -19.456 -24.289 1.00 60.05 C ATOM 298 C PRO A 19 1.754 -20.971 -24.270 1.00 43.12 C ATOM 299 O PRO A 19 2.616 -21.498 -23.567 1.00 1.34 O ATOM 300 CB PRO A 19 1.523 -18.943 -25.730 1.00 52.24 C ATOM 301 CG PRO A 19 2.921 -18.535 -26.044 1.00 51.20 C ATOM 302 CD PRO A 19 3.504 -18.030 -24.753 1.00 42.44 C ATOM 0 HA PRO A 19 0.673 -19.267 -23.717 1.00 60.05 H new ATOM 0 HB2 PRO A 19 1.174 -19.718 -26.412 1.00 52.24 H new ATOM 0 HB3 PRO A 19 0.835 -18.103 -25.824 1.00 52.24 H new ATOM 0 HG2 PRO A 19 3.496 -19.377 -26.429 1.00 51.20 H new ATOM 0 HG3 PRO A 19 2.939 -17.760 -26.810 1.00 51.20 H new ATOM 0 HD2 PRO A 19 4.571 -18.242 -24.684 1.00 42.44 H new ATOM 0 HD3 PRO A 19 3.387 -16.951 -24.654 1.00 42.44 H new ATOM 310 N SER A 20 0.930 -21.666 -25.047 1.00 61.15 N ATOM 311 CA SER A 20 0.990 -23.121 -25.117 1.00 24.42 C ATOM 312 C SER A 20 0.549 -23.747 -23.797 1.00 3.10 C ATOM 313 O SER A 20 1.217 -24.632 -23.263 1.00 24.10 O ATOM 314 CB SER A 20 2.409 -23.578 -25.462 1.00 20.41 C ATOM 315 OG SER A 20 2.440 -24.963 -25.764 1.00 13.40 O ATOM 0 H SER A 20 0.213 -21.245 -25.637 1.00 61.15 H new ATOM 0 HA SER A 20 0.309 -23.451 -25.901 1.00 24.42 H new ATOM 0 HB2 SER A 20 2.781 -23.009 -26.314 1.00 20.41 H new ATOM 0 HB3 SER A 20 3.075 -23.370 -24.625 1.00 20.41 H new ATOM 0 HG SER A 20 2.074 -25.471 -25.010 1.00 13.40 H new ATOM 321 N SER A 21 -0.581 -23.279 -23.276 1.00 62.43 N ATOM 322 CA SER A 21 -1.110 -23.789 -22.017 1.00 35.11 C ATOM 323 C SER A 21 -2.328 -24.676 -22.259 1.00 61.30 C ATOM 324 O SER A 21 -3.427 -24.185 -22.515 1.00 41.42 O ATOM 325 CB SER A 21 -1.486 -22.631 -21.091 1.00 4.41 C ATOM 326 OG SER A 21 -0.422 -21.701 -20.981 1.00 51.51 O ATOM 0 H SER A 21 -1.147 -22.548 -23.706 1.00 62.43 H new ATOM 0 HA SER A 21 -0.333 -24.388 -21.542 1.00 35.11 H new ATOM 0 HB2 SER A 21 -2.374 -22.129 -21.474 1.00 4.41 H new ATOM 0 HB3 SER A 21 -1.739 -23.018 -20.104 1.00 4.41 H new ATOM 0 HG SER A 21 -0.146 -21.629 -20.043 1.00 51.51 H new ATOM 332 N SER A 22 -2.123 -25.987 -22.176 1.00 10.12 N ATOM 333 CA SER A 22 -3.202 -26.944 -22.389 1.00 70.34 C ATOM 334 C SER A 22 -3.453 -27.770 -21.131 1.00 64.02 C ATOM 335 O SER A 22 -4.595 -28.084 -20.799 1.00 15.23 O ATOM 336 CB SER A 22 -2.867 -27.869 -23.562 1.00 14.24 C ATOM 337 OG SER A 22 -3.863 -28.863 -23.727 1.00 74.22 O ATOM 0 H SER A 22 -1.220 -26.410 -21.963 1.00 10.12 H new ATOM 0 HA SER A 22 -4.109 -26.386 -22.622 1.00 70.34 H new ATOM 0 HB2 SER A 22 -2.778 -27.284 -24.477 1.00 14.24 H new ATOM 0 HB3 SER A 22 -1.900 -28.343 -23.391 1.00 14.24 H new ATOM 0 HG SER A 22 -3.627 -29.440 -24.483 1.00 74.22 H new ATOM 343 N SER A 23 -2.375 -28.119 -20.435 1.00 50.35 N ATOM 344 CA SER A 23 -2.476 -28.911 -19.216 1.00 31.33 C ATOM 345 C SER A 23 -3.238 -28.150 -18.135 1.00 73.41 C ATOM 346 O SER A 23 -3.835 -27.105 -18.397 1.00 65.24 O ATOM 347 CB SER A 23 -1.082 -29.283 -18.707 1.00 10.13 C ATOM 348 OG SER A 23 -0.361 -30.014 -19.683 1.00 20.51 O ATOM 0 H SER A 23 -1.422 -27.865 -20.695 1.00 50.35 H new ATOM 0 HA SER A 23 -3.025 -29.823 -19.450 1.00 31.33 H new ATOM 0 HB2 SER A 23 -0.533 -28.378 -18.447 1.00 10.13 H new ATOM 0 HB3 SER A 23 -1.170 -29.875 -17.796 1.00 10.13 H new ATOM 0 HG SER A 23 0.527 -30.238 -19.334 1.00 20.51 H new ATOM 354 N THR A 24 -3.215 -28.683 -16.917 1.00 2.41 N ATOM 355 CA THR A 24 -3.904 -28.056 -15.796 1.00 24.13 C ATOM 356 C THR A 24 -3.341 -26.668 -15.511 1.00 24.54 C ATOM 357 O THR A 24 -3.674 -26.048 -14.500 1.00 65.53 O ATOM 358 CB THR A 24 -3.796 -28.913 -14.520 1.00 70.35 C ATOM 359 OG1 THR A 24 -2.513 -29.546 -14.462 1.00 61.34 O ATOM 360 CG2 THR A 24 -4.890 -29.969 -14.484 1.00 73.55 C ATOM 0 H THR A 24 -2.727 -29.547 -16.682 1.00 2.41 H new ATOM 0 HA THR A 24 -4.953 -27.969 -16.079 1.00 24.13 H new ATOM 0 HB THR A 24 -3.916 -28.258 -13.657 1.00 70.35 H new ATOM 0 HG1 THR A 24 -2.452 -30.087 -13.647 1.00 61.34 H new ATOM 0 HG21 THR A 24 -4.794 -30.562 -13.574 1.00 73.55 H new ATOM 0 HG22 THR A 24 -5.866 -29.483 -14.499 1.00 73.55 H new ATOM 0 HG23 THR A 24 -4.796 -30.620 -15.353 1.00 73.55 H new ATOM 368 N TYR A 25 -2.487 -26.186 -16.407 1.00 31.03 N ATOM 369 CA TYR A 25 -1.876 -24.871 -16.250 1.00 33.40 C ATOM 370 C TYR A 25 -2.823 -23.913 -15.533 1.00 45.14 C ATOM 371 O TYR A 25 -2.392 -23.070 -14.746 1.00 14.32 O ATOM 372 CB TYR A 25 -1.490 -24.299 -17.615 1.00 72.20 C ATOM 373 CG TYR A 25 -1.229 -22.810 -17.595 1.00 64.14 C ATOM 374 CD1 TYR A 25 -2.277 -21.902 -17.511 1.00 1.00 C ATOM 375 CD2 TYR A 25 0.066 -22.311 -17.662 1.00 64.22 C ATOM 376 CE1 TYR A 25 -2.043 -20.541 -17.493 1.00 41.54 C ATOM 377 CE2 TYR A 25 0.310 -20.952 -17.644 1.00 12.42 C ATOM 378 CZ TYR A 25 -0.748 -20.070 -17.559 1.00 61.35 C ATOM 379 OH TYR A 25 -0.510 -18.715 -17.542 1.00 64.23 O ATOM 0 H TYR A 25 -2.202 -26.686 -17.249 1.00 31.03 H new ATOM 0 HA TYR A 25 -0.977 -24.985 -15.644 1.00 33.40 H new ATOM 0 HB2 TYR A 25 -0.598 -24.811 -17.975 1.00 72.20 H new ATOM 0 HB3 TYR A 25 -2.288 -24.510 -18.327 1.00 72.20 H new ATOM 0 HD1 TYR A 25 -3.292 -22.267 -17.459 1.00 1.00 H new ATOM 0 HD2 TYR A 25 0.896 -22.998 -17.729 1.00 64.22 H new ATOM 0 HE1 TYR A 25 -2.870 -19.849 -17.428 1.00 41.54 H new ATOM 0 HE2 TYR A 25 1.323 -20.581 -17.696 1.00 12.42 H new ATOM 0 HH TYR A 25 0.396 -18.538 -17.872 1.00 64.23 H new ATOM 389 N CYS A 26 -4.115 -24.049 -15.812 1.00 64.01 N ATOM 390 CA CYS A 26 -5.124 -23.197 -15.196 1.00 33.03 C ATOM 391 C CYS A 26 -5.437 -23.663 -13.777 1.00 21.43 C ATOM 392 O CYS A 26 -5.191 -22.946 -12.808 1.00 42.23 O ATOM 393 CB CYS A 26 -6.402 -23.195 -16.037 1.00 14.33 C ATOM 394 SG CYS A 26 -6.313 -22.144 -17.522 1.00 61.13 S ATOM 0 H CYS A 26 -4.488 -24.742 -16.461 1.00 64.01 H new ATOM 0 HA CYS A 26 -4.727 -22.183 -15.147 1.00 33.03 H new ATOM 0 HB2 CYS A 26 -6.625 -24.217 -16.341 1.00 14.33 H new ATOM 0 HB3 CYS A 26 -7.232 -22.859 -15.416 1.00 14.33 H new ATOM 399 N ASN A 27 -5.981 -24.871 -13.663 1.00 3.20 N ATOM 400 CA ASN A 27 -6.327 -25.434 -12.363 1.00 14.51 C ATOM 401 C ASN A 27 -5.351 -24.963 -11.289 1.00 31.51 C ATOM 402 O ASN A 27 -5.746 -24.685 -10.157 1.00 70.01 O ATOM 403 CB ASN A 27 -6.332 -26.962 -12.430 1.00 62.03 C ATOM 404 CG ASN A 27 -6.771 -27.597 -11.125 1.00 61.00 C ATOM 405 OD1 ASN A 27 -7.211 -26.909 -10.204 1.00 53.33 O ATOM 406 ND2 ASN A 27 -6.652 -28.917 -11.040 1.00 10.10 N ATOM 0 H ASN A 27 -6.191 -25.478 -14.455 1.00 3.20 H new ATOM 0 HA ASN A 27 -7.326 -25.086 -12.099 1.00 14.51 H new ATOM 0 HB2 ASN A 27 -6.998 -27.286 -13.230 1.00 62.03 H new ATOM 0 HB3 ASN A 27 -5.333 -27.315 -12.684 1.00 62.03 H new ATOM 0 HD21 ASN A 27 -6.931 -29.400 -10.186 1.00 10.10 H new ATOM 0 HD22 ASN A 27 -6.282 -29.448 -11.829 1.00 10.10 H new ATOM 413 N GLN A 28 -4.076 -24.878 -11.653 1.00 2.50 N ATOM 414 CA GLN A 28 -3.043 -24.441 -10.720 1.00 73.23 C ATOM 415 C GLN A 28 -2.880 -22.925 -10.760 1.00 24.43 C ATOM 416 O GLN A 28 -3.164 -22.235 -9.781 1.00 60.24 O ATOM 417 CB GLN A 28 -1.711 -25.119 -11.048 1.00 15.45 C ATOM 418 CG GLN A 28 -1.567 -26.504 -10.438 1.00 13.55 C ATOM 419 CD GLN A 28 -0.450 -27.308 -11.073 1.00 13.31 C ATOM 420 OE1 GLN A 28 0.628 -27.457 -10.497 1.00 41.54 O ATOM 421 NE2 GLN A 28 -0.703 -27.832 -12.267 1.00 2.14 N ATOM 0 H GLN A 28 -3.733 -25.106 -12.586 1.00 2.50 H new ATOM 0 HA GLN A 28 -3.351 -24.728 -9.715 1.00 73.23 H new ATOM 0 HB2 GLN A 28 -1.609 -25.195 -12.130 1.00 15.45 H new ATOM 0 HB3 GLN A 28 -0.895 -24.489 -10.694 1.00 15.45 H new ATOM 0 HG2 GLN A 28 -1.378 -26.408 -9.369 1.00 13.55 H new ATOM 0 HG3 GLN A 28 -2.507 -27.045 -10.548 1.00 13.55 H new ATOM 0 HE21 GLN A 28 -1.611 -27.683 -12.707 1.00 2.14 H new ATOM 0 HE22 GLN A 28 0.011 -28.383 -12.744 1.00 2.14 H new ATOM 430 N MET A 29 -2.419 -22.414 -11.897 1.00 31.32 N ATOM 431 CA MET A 29 -2.218 -20.979 -12.063 1.00 74.54 C ATOM 432 C MET A 29 -3.241 -20.190 -11.253 1.00 11.24 C ATOM 433 O MET A 29 -2.880 -19.418 -10.365 1.00 13.41 O ATOM 434 CB MET A 29 -2.317 -20.597 -13.541 1.00 71.24 C ATOM 435 CG MET A 29 -1.054 -20.896 -14.332 1.00 62.51 C ATOM 436 SD MET A 29 0.116 -19.525 -14.318 1.00 1.55 S ATOM 437 CE MET A 29 1.249 -20.059 -13.037 1.00 72.11 C ATOM 0 H MET A 29 -2.178 -22.972 -12.716 1.00 31.32 H new ATOM 0 HA MET A 29 -1.222 -20.732 -11.697 1.00 74.54 H new ATOM 0 HB2 MET A 29 -3.153 -21.133 -13.991 1.00 71.24 H new ATOM 0 HB3 MET A 29 -2.541 -19.533 -13.619 1.00 71.24 H new ATOM 0 HG2 MET A 29 -0.573 -21.783 -13.919 1.00 62.51 H new ATOM 0 HG3 MET A 29 -1.322 -21.129 -15.362 1.00 62.51 H new ATOM 0 HE1 MET A 29 2.218 -19.582 -13.186 1.00 72.11 H new ATOM 0 HE2 MET A 29 0.853 -19.779 -12.061 1.00 72.11 H new ATOM 0 HE3 MET A 29 1.367 -21.142 -13.084 1.00 72.11 H new ATOM 447 N MET A 30 -4.518 -20.389 -11.564 1.00 43.31 N ATOM 448 CA MET A 30 -5.592 -19.695 -10.863 1.00 20.21 C ATOM 449 C MET A 30 -5.477 -19.898 -9.355 1.00 43.34 C ATOM 450 O MET A 30 -5.676 -18.965 -8.577 1.00 41.45 O ATOM 451 CB MET A 30 -6.954 -20.191 -11.353 1.00 65.43 C ATOM 452 CG MET A 30 -7.591 -19.287 -12.396 1.00 5.12 C ATOM 453 SD MET A 30 -8.513 -17.923 -11.661 1.00 43.53 S ATOM 454 CE MET A 30 -7.349 -16.577 -11.869 1.00 1.12 C ATOM 0 H MET A 30 -4.834 -21.025 -12.296 1.00 43.31 H new ATOM 0 HA MET A 30 -5.503 -18.630 -11.077 1.00 20.21 H new ATOM 0 HB2 MET A 30 -6.838 -21.190 -11.772 1.00 65.43 H new ATOM 0 HB3 MET A 30 -7.628 -20.279 -10.501 1.00 65.43 H new ATOM 0 HG2 MET A 30 -6.814 -18.886 -13.047 1.00 5.12 H new ATOM 0 HG3 MET A 30 -8.260 -19.877 -13.023 1.00 5.12 H new ATOM 0 HE1 MET A 30 -7.842 -15.631 -11.645 1.00 1.12 H new ATOM 0 HE2 MET A 30 -6.507 -16.716 -11.191 1.00 1.12 H new ATOM 0 HE3 MET A 30 -6.989 -16.563 -12.898 1.00 1.12 H new ATOM 464 N ARG A 31 -5.155 -21.122 -8.950 1.00 44.32 N ATOM 465 CA ARG A 31 -5.015 -21.446 -7.536 1.00 23.13 C ATOM 466 C ARG A 31 -3.837 -20.696 -6.920 1.00 14.23 C ATOM 467 O ARG A 31 -4.002 -19.946 -5.957 1.00 43.24 O ATOM 468 CB ARG A 31 -4.825 -22.953 -7.353 1.00 21.04 C ATOM 469 CG ARG A 31 -4.664 -23.375 -5.901 1.00 43.42 C ATOM 470 CD ARG A 31 -5.093 -24.818 -5.689 1.00 54.13 C ATOM 471 NE ARG A 31 -5.262 -25.137 -4.274 1.00 42.31 N ATOM 472 CZ ARG A 31 -4.249 -25.275 -3.426 1.00 65.03 C ATOM 473 NH1 ARG A 31 -3.001 -25.123 -3.849 1.00 0.14 N ATOM 474 NH2 ARG A 31 -4.482 -25.566 -2.153 1.00 13.31 N ATOM 0 H ARG A 31 -4.986 -21.905 -9.581 1.00 44.32 H new ATOM 0 HA ARG A 31 -5.927 -21.137 -7.026 1.00 23.13 H new ATOM 0 HB2 ARG A 31 -5.682 -23.473 -7.781 1.00 21.04 H new ATOM 0 HB3 ARG A 31 -3.946 -23.271 -7.914 1.00 21.04 H new ATOM 0 HG2 ARG A 31 -3.623 -23.256 -5.600 1.00 43.42 H new ATOM 0 HG3 ARG A 31 -5.258 -22.720 -5.263 1.00 43.42 H new ATOM 0 HD2 ARG A 31 -6.030 -24.999 -6.216 1.00 54.13 H new ATOM 0 HD3 ARG A 31 -4.349 -25.485 -6.125 1.00 54.13 H new ATOM 0 HE ARG A 31 -6.210 -25.261 -3.917 1.00 42.31 H new ATOM 0 HH11 ARG A 31 -2.818 -24.900 -4.827 1.00 0.14 H new ATOM 0 HH12 ARG A 31 -2.225 -25.229 -3.196 1.00 0.14 H new ATOM 0 HH21 ARG A 31 -5.440 -25.684 -1.824 1.00 13.31 H new ATOM 0 HH22 ARG A 31 -3.703 -25.672 -1.503 1.00 13.31 H new ATOM 488 N ARG A 32 -2.651 -20.904 -7.481 1.00 22.12 N ATOM 489 CA ARG A 32 -1.446 -20.249 -6.986 1.00 31.12 C ATOM 490 C ARG A 32 -1.676 -18.751 -6.808 1.00 63.11 C ATOM 491 O ARG A 32 -1.021 -18.106 -5.989 1.00 53.41 O ATOM 492 CB ARG A 32 -0.279 -20.487 -7.946 1.00 54.55 C ATOM 493 CG ARG A 32 1.013 -20.878 -7.250 1.00 4.25 C ATOM 494 CD ARG A 32 2.049 -19.767 -7.332 1.00 61.42 C ATOM 495 NE ARG A 32 2.053 -18.932 -6.134 1.00 71.21 N ATOM 496 CZ ARG A 32 2.731 -19.231 -5.032 1.00 24.30 C ATOM 497 NH1 ARG A 32 3.457 -20.339 -4.977 1.00 23.44 N ATOM 498 NH2 ARG A 32 2.685 -18.421 -3.982 1.00 50.24 N ATOM 0 H ARG A 32 -2.498 -21.521 -8.279 1.00 22.12 H new ATOM 0 HA ARG A 32 -1.201 -20.679 -6.015 1.00 31.12 H new ATOM 0 HB2 ARG A 32 -0.554 -21.272 -8.651 1.00 54.55 H new ATOM 0 HB3 ARG A 32 -0.108 -19.581 -8.528 1.00 54.55 H new ATOM 0 HG2 ARG A 32 0.809 -21.110 -6.205 1.00 4.25 H new ATOM 0 HG3 ARG A 32 1.413 -21.784 -7.705 1.00 4.25 H new ATOM 0 HD2 ARG A 32 3.038 -20.203 -7.473 1.00 61.42 H new ATOM 0 HD3 ARG A 32 1.847 -19.147 -8.205 1.00 61.42 H new ATOM 0 HE ARG A 32 1.505 -18.072 -6.144 1.00 71.21 H new ATOM 0 HH11 ARG A 32 3.496 -20.964 -5.782 1.00 23.44 H new ATOM 0 HH12 ARG A 32 3.977 -20.567 -4.129 1.00 23.44 H new ATOM 0 HH21 ARG A 32 2.128 -17.567 -4.021 1.00 50.24 H new ATOM 0 HH22 ARG A 32 3.206 -18.652 -3.136 1.00 50.24 H new ATOM 512 N ARG A 33 -2.609 -18.205 -7.581 1.00 2.11 N ATOM 513 CA ARG A 33 -2.923 -16.783 -7.510 1.00 74.11 C ATOM 514 C ARG A 33 -3.857 -16.491 -6.339 1.00 54.44 C ATOM 515 O ARG A 33 -4.457 -15.419 -6.264 1.00 5.14 O ATOM 516 CB ARG A 33 -3.565 -16.315 -8.818 1.00 32.34 C ATOM 517 CG ARG A 33 -2.643 -16.422 -10.021 1.00 71.52 C ATOM 518 CD ARG A 33 -1.594 -15.322 -10.019 1.00 1.31 C ATOM 519 NE ARG A 33 -0.379 -15.722 -10.724 1.00 54.24 N ATOM 520 CZ ARG A 33 0.693 -14.946 -10.840 1.00 31.24 C ATOM 521 NH1 ARG A 33 0.701 -13.736 -10.298 1.00 40.12 N ATOM 522 NH2 ARG A 33 1.760 -15.381 -11.497 1.00 63.11 N ATOM 0 H ARG A 33 -3.160 -18.725 -8.263 1.00 2.11 H new ATOM 0 HA ARG A 33 -1.992 -16.238 -7.355 1.00 74.11 H new ATOM 0 HB2 ARG A 33 -4.462 -16.906 -9.004 1.00 32.34 H new ATOM 0 HB3 ARG A 33 -3.884 -15.279 -8.706 1.00 32.34 H new ATOM 0 HG2 ARG A 33 -2.151 -17.395 -10.018 1.00 71.52 H new ATOM 0 HG3 ARG A 33 -3.231 -16.364 -10.937 1.00 71.52 H new ATOM 0 HD2 ARG A 33 -2.006 -14.427 -10.486 1.00 1.31 H new ATOM 0 HD3 ARG A 33 -1.346 -15.059 -8.991 1.00 1.31 H new ATOM 0 HE ARG A 33 -0.352 -16.648 -11.151 1.00 54.24 H new ATOM 0 HH11 ARG A 33 -0.117 -13.399 -9.791 1.00 40.12 H new ATOM 0 HH12 ARG A 33 1.525 -13.142 -10.388 1.00 40.12 H new ATOM 0 HH21 ARG A 33 1.758 -16.312 -11.914 1.00 63.11 H new ATOM 0 HH22 ARG A 33 2.583 -14.784 -11.586 1.00 63.11 H new ATOM 536 N ASN A 34 -3.976 -17.452 -5.429 1.00 40.23 N ATOM 537 CA ASN A 34 -4.838 -17.298 -4.263 1.00 2.21 C ATOM 538 C ASN A 34 -6.245 -16.878 -4.678 1.00 4.34 C ATOM 539 O ASN A 34 -6.816 -15.944 -4.115 1.00 23.23 O ATOM 540 CB ASN A 34 -4.248 -16.265 -3.300 1.00 32.31 C ATOM 541 CG ASN A 34 -2.887 -16.677 -2.773 1.00 41.04 C ATOM 542 OD1 ASN A 34 -1.867 -16.089 -3.132 1.00 4.45 O ATOM 543 ND2 ASN A 34 -2.866 -17.693 -1.918 1.00 40.23 N ATOM 0 H ASN A 34 -3.486 -18.346 -5.477 1.00 40.23 H new ATOM 0 HA ASN A 34 -4.900 -18.262 -3.758 1.00 2.21 H new ATOM 0 HB2 ASN A 34 -4.162 -15.305 -3.809 1.00 32.31 H new ATOM 0 HB3 ASN A 34 -4.931 -16.122 -2.462 1.00 32.31 H new ATOM 0 HD21 ASN A 34 -1.979 -18.015 -1.531 1.00 40.23 H new ATOM 0 HD22 ASN A 34 -3.737 -18.151 -1.649 1.00 40.23 H new ATOM 550 N MET A 35 -6.797 -17.574 -5.665 1.00 72.34 N ATOM 551 CA MET A 35 -8.138 -17.275 -6.154 1.00 40.44 C ATOM 552 C MET A 35 -9.090 -18.433 -5.874 1.00 14.30 C ATOM 553 O MET A 35 -10.306 -18.301 -6.023 1.00 22.12 O ATOM 554 CB MET A 35 -8.103 -16.980 -7.655 1.00 43.12 C ATOM 555 CG MET A 35 -9.457 -17.115 -8.333 1.00 4.41 C ATOM 556 SD MET A 35 -10.664 -15.927 -7.715 1.00 11.23 S ATOM 557 CE MET A 35 -10.398 -14.557 -8.838 1.00 61.51 C ATOM 0 H MET A 35 -6.337 -18.349 -6.142 1.00 72.34 H new ATOM 0 HA MET A 35 -8.502 -16.393 -5.626 1.00 40.44 H new ATOM 0 HB2 MET A 35 -7.728 -15.968 -7.809 1.00 43.12 H new ATOM 0 HB3 MET A 35 -7.397 -17.658 -8.134 1.00 43.12 H new ATOM 0 HG2 MET A 35 -9.336 -16.979 -9.408 1.00 4.41 H new ATOM 0 HG3 MET A 35 -9.836 -18.125 -8.180 1.00 4.41 H new ATOM 0 HE1 MET A 35 -11.074 -13.741 -8.583 1.00 61.51 H new ATOM 0 HE2 MET A 35 -9.367 -14.213 -8.755 1.00 61.51 H new ATOM 0 HE3 MET A 35 -10.591 -14.882 -9.860 1.00 61.51 H new ATOM 567 N THR A 36 -8.531 -19.568 -5.467 1.00 61.25 N ATOM 568 CA THR A 36 -9.330 -20.750 -5.168 1.00 11.52 C ATOM 569 C THR A 36 -9.618 -20.854 -3.675 1.00 21.35 C ATOM 570 O THR A 36 -10.237 -21.815 -3.219 1.00 60.41 O ATOM 571 CB THR A 36 -8.626 -22.037 -5.635 1.00 30.40 C ATOM 572 OG1 THR A 36 -7.429 -22.244 -4.877 1.00 31.14 O ATOM 573 CG2 THR A 36 -8.287 -21.962 -7.116 1.00 74.21 C ATOM 0 H THR A 36 -7.527 -19.694 -5.337 1.00 61.25 H new ATOM 0 HA THR A 36 -10.269 -20.643 -5.710 1.00 11.52 H new ATOM 0 HB THR A 36 -9.306 -22.874 -5.476 1.00 30.40 H new ATOM 0 HG1 THR A 36 -7.335 -23.197 -4.668 1.00 31.14 H new ATOM 0 HG21 THR A 36 -7.790 -22.883 -7.423 1.00 74.21 H new ATOM 0 HG22 THR A 36 -9.203 -21.834 -7.693 1.00 74.21 H new ATOM 0 HG23 THR A 36 -7.624 -21.115 -7.295 1.00 74.21 H new ATOM 581 N GLN A 37 -9.165 -19.860 -2.918 1.00 53.51 N ATOM 582 CA GLN A 37 -9.375 -19.841 -1.475 1.00 72.23 C ATOM 583 C GLN A 37 -10.784 -19.366 -1.136 1.00 72.12 C ATOM 584 O GLN A 37 -11.253 -18.357 -1.660 1.00 42.44 O ATOM 585 CB GLN A 37 -8.343 -18.937 -0.800 1.00 41.30 C ATOM 586 CG GLN A 37 -7.096 -19.674 -0.340 1.00 20.42 C ATOM 587 CD GLN A 37 -7.168 -20.091 1.116 1.00 73.21 C ATOM 588 OE1 GLN A 37 -7.226 -21.280 1.431 1.00 31.12 O ATOM 589 NE2 GLN A 37 -7.165 -19.112 2.013 1.00 34.21 N ATOM 0 H GLN A 37 -8.650 -19.057 -3.280 1.00 53.51 H new ATOM 0 HA GLN A 37 -9.255 -20.858 -1.103 1.00 72.23 H new ATOM 0 HB2 GLN A 37 -8.053 -18.149 -1.495 1.00 41.30 H new ATOM 0 HB3 GLN A 37 -8.805 -18.451 0.059 1.00 41.30 H new ATOM 0 HG2 GLN A 37 -6.952 -20.558 -0.961 1.00 20.42 H new ATOM 0 HG3 GLN A 37 -6.225 -19.035 -0.488 1.00 20.42 H new ATOM 0 HE21 GLN A 37 -7.116 -18.140 1.707 1.00 34.21 H new ATOM 0 HE22 GLN A 37 -7.212 -19.332 3.008 1.00 34.21 H new ATOM 598 N GLY A 38 -11.456 -20.102 -0.255 1.00 43.23 N ATOM 599 CA GLY A 38 -12.805 -19.740 0.138 1.00 21.02 C ATOM 600 C GLY A 38 -13.848 -20.237 -0.843 1.00 41.11 C ATOM 601 O GLY A 38 -14.955 -20.605 -0.449 1.00 42.23 O ATOM 0 H GLY A 38 -11.090 -20.942 0.193 1.00 43.23 H new ATOM 0 HA2 GLY A 38 -13.015 -20.151 1.126 1.00 21.02 H new ATOM 0 HA3 GLY A 38 -12.877 -18.656 0.222 1.00 21.02 H new ATOM 605 N ARG A 39 -13.496 -20.246 -2.125 1.00 24.45 N ATOM 606 CA ARG A 39 -14.411 -20.699 -3.165 1.00 63.12 C ATOM 607 C ARG A 39 -13.643 -21.163 -4.400 1.00 14.40 C ATOM 608 O ARG A 39 -12.437 -20.944 -4.513 1.00 22.44 O ATOM 609 CB ARG A 39 -15.380 -19.578 -3.545 1.00 2.02 C ATOM 610 CG ARG A 39 -14.741 -18.199 -3.559 1.00 24.12 C ATOM 611 CD ARG A 39 -15.419 -17.281 -4.563 1.00 14.53 C ATOM 612 NE ARG A 39 -15.972 -16.087 -3.927 1.00 23.53 N ATOM 613 CZ ARG A 39 -16.213 -14.954 -4.576 1.00 14.14 C ATOM 614 NH1 ARG A 39 -15.953 -14.860 -5.872 1.00 54.13 N ATOM 615 NH2 ARG A 39 -16.717 -13.911 -3.927 1.00 60.33 N ATOM 0 H ARG A 39 -12.584 -19.945 -2.468 1.00 24.45 H new ATOM 0 HA ARG A 39 -14.979 -21.543 -2.773 1.00 63.12 H new ATOM 0 HB2 ARG A 39 -15.795 -19.787 -4.531 1.00 2.02 H new ATOM 0 HB3 ARG A 39 -16.213 -19.576 -2.842 1.00 2.02 H new ATOM 0 HG2 ARG A 39 -14.801 -17.759 -2.564 1.00 24.12 H new ATOM 0 HG3 ARG A 39 -13.683 -18.290 -3.804 1.00 24.12 H new ATOM 0 HD2 ARG A 39 -14.700 -16.985 -5.327 1.00 14.53 H new ATOM 0 HD3 ARG A 39 -16.217 -17.824 -5.070 1.00 14.53 H new ATOM 0 HE ARG A 39 -16.184 -16.126 -2.930 1.00 23.53 H new ATOM 0 HH11 ARG A 39 -15.567 -15.659 -6.374 1.00 54.13 H new ATOM 0 HH12 ARG A 39 -16.139 -13.988 -6.368 1.00 54.13 H new ATOM 0 HH21 ARG A 39 -16.919 -13.980 -2.930 1.00 60.33 H new ATOM 0 HH22 ARG A 39 -16.902 -13.041 -4.426 1.00 60.33 H new ATOM 629 N CYS A 40 -14.351 -21.804 -5.324 1.00 12.11 N ATOM 630 CA CYS A 40 -13.738 -22.300 -6.550 1.00 51.52 C ATOM 631 C CYS A 40 -14.189 -21.478 -7.754 1.00 42.34 C ATOM 632 O CYS A 40 -15.362 -21.494 -8.128 1.00 21.31 O ATOM 633 CB CYS A 40 -14.092 -23.773 -6.763 1.00 12.41 C ATOM 634 SG CYS A 40 -12.677 -24.908 -6.601 1.00 32.42 S ATOM 0 H CYS A 40 -15.351 -21.992 -5.247 1.00 12.11 H new ATOM 0 HA CYS A 40 -12.657 -22.204 -6.451 1.00 51.52 H new ATOM 0 HB2 CYS A 40 -14.858 -24.059 -6.043 1.00 12.41 H new ATOM 0 HB3 CYS A 40 -14.527 -23.891 -7.755 1.00 12.41 H new ATOM 639 N LYS A 41 -13.249 -20.759 -8.358 1.00 65.15 N ATOM 640 CA LYS A 41 -13.546 -19.931 -9.521 1.00 73.33 C ATOM 641 C LYS A 41 -14.268 -20.740 -10.594 1.00 75.02 C ATOM 642 O LYS A 41 -13.713 -21.665 -11.187 1.00 73.30 O ATOM 643 CB LYS A 41 -12.257 -19.339 -10.095 1.00 71.32 C ATOM 644 CG LYS A 41 -12.251 -17.821 -10.136 1.00 44.02 C ATOM 645 CD LYS A 41 -13.470 -17.278 -10.863 1.00 5.43 C ATOM 646 CE LYS A 41 -14.353 -16.458 -9.934 1.00 64.30 C ATOM 647 NZ LYS A 41 -15.588 -15.985 -10.618 1.00 1.02 N ATOM 0 H LYS A 41 -12.274 -20.733 -8.061 1.00 65.15 H new ATOM 0 HA LYS A 41 -14.199 -19.120 -9.200 1.00 73.33 H new ATOM 0 HB2 LYS A 41 -11.412 -19.681 -9.497 1.00 71.32 H new ATOM 0 HB3 LYS A 41 -12.109 -19.722 -11.105 1.00 71.32 H new ATOM 0 HG2 LYS A 41 -12.228 -17.429 -9.119 1.00 44.02 H new ATOM 0 HG3 LYS A 41 -11.345 -17.473 -10.633 1.00 44.02 H new ATOM 0 HD2 LYS A 41 -13.150 -16.660 -11.702 1.00 5.43 H new ATOM 0 HD3 LYS A 41 -14.046 -18.105 -11.278 1.00 5.43 H new ATOM 0 HE2 LYS A 41 -14.626 -17.060 -9.067 1.00 64.30 H new ATOM 0 HE3 LYS A 41 -13.792 -15.600 -9.563 1.00 64.30 H new ATOM 0 HZ1 LYS A 41 -15.632 -14.947 -10.575 1.00 1.02 H new ATOM 0 HZ2 LYS A 41 -15.573 -16.290 -11.612 1.00 1.02 H new ATOM 0 HZ3 LYS A 41 -16.422 -16.387 -10.145 1.00 1.02 H new ATOM 661 N PRO A 42 -15.536 -20.384 -10.852 1.00 44.13 N ATOM 662 CA PRO A 42 -16.360 -21.063 -11.856 1.00 41.15 C ATOM 663 C PRO A 42 -15.888 -20.783 -13.279 1.00 51.12 C ATOM 664 O PRO A 42 -16.186 -21.540 -14.203 1.00 53.22 O ATOM 665 CB PRO A 42 -17.754 -20.473 -11.629 1.00 42.54 C ATOM 666 CG PRO A 42 -17.505 -19.138 -11.016 1.00 24.14 C ATOM 667 CD PRO A 42 -16.261 -19.291 -10.184 1.00 11.41 C ATOM 0 HA PRO A 42 -16.319 -22.147 -11.751 1.00 41.15 H new ATOM 0 HB2 PRO A 42 -18.303 -20.382 -12.566 1.00 42.54 H new ATOM 0 HB3 PRO A 42 -18.349 -21.106 -10.971 1.00 42.54 H new ATOM 0 HG2 PRO A 42 -17.370 -18.375 -11.783 1.00 24.14 H new ATOM 0 HG3 PRO A 42 -18.350 -18.827 -10.402 1.00 24.14 H new ATOM 0 HD2 PRO A 42 -15.675 -18.372 -10.165 1.00 11.41 H new ATOM 0 HD3 PRO A 42 -16.498 -19.539 -9.149 1.00 11.41 H new ATOM 675 N VAL A 43 -15.150 -19.691 -13.449 1.00 4.32 N ATOM 676 CA VAL A 43 -14.635 -19.312 -14.759 1.00 50.33 C ATOM 677 C VAL A 43 -13.514 -18.287 -14.634 1.00 4.51 C ATOM 678 O VAL A 43 -13.394 -17.603 -13.618 1.00 34.32 O ATOM 679 CB VAL A 43 -15.748 -18.732 -15.653 1.00 63.40 C ATOM 680 CG1 VAL A 43 -15.599 -19.232 -17.082 1.00 51.41 C ATOM 681 CG2 VAL A 43 -17.118 -19.088 -15.095 1.00 44.42 C ATOM 0 H VAL A 43 -14.895 -19.053 -12.695 1.00 4.32 H new ATOM 0 HA VAL A 43 -14.244 -20.219 -15.220 1.00 50.33 H new ATOM 0 HB VAL A 43 -15.655 -17.646 -15.662 1.00 63.40 H new ATOM 0 HG11 VAL A 43 -16.393 -18.812 -17.699 1.00 51.41 H new ATOM 0 HG12 VAL A 43 -14.631 -18.923 -17.477 1.00 51.41 H new ATOM 0 HG13 VAL A 43 -15.665 -20.320 -17.096 1.00 51.41 H new ATOM 0 HG21 VAL A 43 -17.893 -18.671 -15.738 1.00 44.42 H new ATOM 0 HG22 VAL A 43 -17.224 -20.172 -15.055 1.00 44.42 H new ATOM 0 HG23 VAL A 43 -17.220 -18.677 -14.091 1.00 44.42 H new ATOM 691 N ASN A 44 -12.693 -18.185 -15.675 1.00 14.53 N ATOM 692 CA ASN A 44 -11.580 -17.242 -15.681 1.00 74.13 C ATOM 693 C ASN A 44 -10.966 -17.136 -17.074 1.00 3.14 C ATOM 694 O ASN A 44 -11.259 -17.941 -17.958 1.00 35.32 O ATOM 695 CB ASN A 44 -10.514 -17.673 -14.672 1.00 70.23 C ATOM 696 CG ASN A 44 -10.193 -16.583 -13.668 1.00 55.45 C ATOM 697 OD1 ASN A 44 -10.782 -16.525 -12.589 1.00 23.15 O ATOM 698 ND2 ASN A 44 -9.256 -15.710 -14.022 1.00 34.53 N ATOM 0 H ASN A 44 -12.778 -18.743 -16.524 1.00 14.53 H new ATOM 0 HA ASN A 44 -11.964 -16.262 -15.397 1.00 74.13 H new ATOM 0 HB2 ASN A 44 -10.858 -18.561 -14.142 1.00 70.23 H new ATOM 0 HB3 ASN A 44 -9.605 -17.951 -15.205 1.00 70.23 H new ATOM 0 HD21 ASN A 44 -8.999 -14.953 -13.389 1.00 34.53 H new ATOM 0 HD22 ASN A 44 -8.794 -15.797 -14.927 1.00 34.53 H new ATOM 705 N THR A 45 -10.110 -16.136 -17.262 1.00 64.40 N ATOM 706 CA THR A 45 -9.454 -15.924 -18.546 1.00 5.21 C ATOM 707 C THR A 45 -8.129 -15.189 -18.372 1.00 31.44 C ATOM 708 O THR A 45 -8.105 -13.991 -18.090 1.00 64.12 O ATOM 709 CB THR A 45 -10.349 -15.122 -19.509 1.00 14.34 C ATOM 710 OG1 THR A 45 -11.711 -15.544 -19.376 1.00 54.44 O ATOM 711 CG2 THR A 45 -9.895 -15.303 -20.949 1.00 25.12 C ATOM 0 H THR A 45 -9.855 -15.461 -16.541 1.00 64.40 H new ATOM 0 HA THR A 45 -9.267 -16.910 -18.971 1.00 5.21 H new ATOM 0 HB THR A 45 -10.268 -14.066 -19.251 1.00 14.34 H new ATOM 0 HG1 THR A 45 -12.275 -15.029 -19.990 1.00 54.44 H new ATOM 0 HG21 THR A 45 -10.543 -14.727 -21.610 1.00 25.12 H new ATOM 0 HG22 THR A 45 -8.868 -14.954 -21.053 1.00 25.12 H new ATOM 0 HG23 THR A 45 -9.949 -16.358 -21.218 1.00 25.12 H new ATOM 719 N PHE A 46 -7.029 -15.915 -18.541 1.00 42.02 N ATOM 720 CA PHE A 46 -5.699 -15.332 -18.402 1.00 55.22 C ATOM 721 C PHE A 46 -5.353 -14.472 -19.614 1.00 72.24 C ATOM 722 O PHE A 46 -6.157 -14.325 -20.535 1.00 50.31 O ATOM 723 CB PHE A 46 -4.652 -16.433 -18.228 1.00 22.22 C ATOM 724 CG PHE A 46 -4.207 -16.618 -16.805 1.00 51.21 C ATOM 725 CD1 PHE A 46 -5.058 -16.315 -15.754 1.00 73.55 C ATOM 726 CD2 PHE A 46 -2.938 -17.093 -16.518 1.00 64.13 C ATOM 727 CE1 PHE A 46 -4.652 -16.484 -14.444 1.00 74.51 C ATOM 728 CE2 PHE A 46 -2.526 -17.265 -15.210 1.00 53.41 C ATOM 729 CZ PHE A 46 -3.384 -16.959 -14.172 1.00 13.33 C ATOM 0 H PHE A 46 -7.032 -16.908 -18.774 1.00 42.02 H new ATOM 0 HA PHE A 46 -5.699 -14.697 -17.516 1.00 55.22 H new ATOM 0 HB2 PHE A 46 -5.061 -17.373 -18.598 1.00 22.22 H new ATOM 0 HB3 PHE A 46 -3.784 -16.198 -18.844 1.00 22.22 H new ATOM 0 HD1 PHE A 46 -6.050 -15.942 -15.961 1.00 73.55 H new ATOM 0 HD2 PHE A 46 -2.262 -17.332 -17.326 1.00 64.13 H new ATOM 0 HE1 PHE A 46 -5.325 -16.245 -13.634 1.00 74.51 H new ATOM 0 HE2 PHE A 46 -1.535 -17.638 -15.000 1.00 53.41 H new ATOM 0 HZ PHE A 46 -3.064 -17.091 -13.149 1.00 13.33 H new ATOM 739 N VAL A 47 -4.150 -13.906 -19.607 1.00 35.12 N ATOM 740 CA VAL A 47 -3.696 -13.061 -20.705 1.00 32.40 C ATOM 741 C VAL A 47 -2.190 -13.184 -20.905 1.00 42.53 C ATOM 742 O VAL A 47 -1.419 -13.132 -19.946 1.00 42.14 O ATOM 743 CB VAL A 47 -4.052 -11.583 -20.460 1.00 73.04 C ATOM 744 CG1 VAL A 47 -3.469 -10.705 -21.557 1.00 15.30 C ATOM 745 CG2 VAL A 47 -5.561 -11.407 -20.370 1.00 4.31 C ATOM 0 H VAL A 47 -3.472 -14.018 -18.853 1.00 35.12 H new ATOM 0 HA VAL A 47 -4.208 -13.406 -21.603 1.00 32.40 H new ATOM 0 HB VAL A 47 -3.616 -11.274 -19.510 1.00 73.04 H new ATOM 0 HG11 VAL A 47 -3.731 -9.664 -21.367 1.00 15.30 H new ATOM 0 HG12 VAL A 47 -2.384 -10.810 -21.569 1.00 15.30 H new ATOM 0 HG13 VAL A 47 -3.874 -11.011 -22.522 1.00 15.30 H new ATOM 0 HG21 VAL A 47 -5.795 -10.357 -20.197 1.00 4.31 H new ATOM 0 HG22 VAL A 47 -6.022 -11.732 -21.303 1.00 4.31 H new ATOM 0 HG23 VAL A 47 -5.949 -12.006 -19.546 1.00 4.31 H new ATOM 755 N HIS A 48 -1.776 -13.345 -22.158 1.00 71.32 N ATOM 756 CA HIS A 48 -0.360 -13.474 -22.485 1.00 55.23 C ATOM 757 C HIS A 48 0.164 -12.199 -23.140 1.00 74.43 C ATOM 758 O HIS A 48 1.262 -12.182 -23.694 1.00 25.23 O ATOM 759 CB HIS A 48 -0.136 -14.668 -23.414 1.00 12.32 C ATOM 760 CG HIS A 48 -0.252 -15.992 -22.725 1.00 33.42 C ATOM 761 ND1 HIS A 48 0.653 -16.432 -21.782 1.00 72.31 N ATOM 762 CD2 HIS A 48 -1.176 -16.975 -22.845 1.00 3.22 C ATOM 763 CE1 HIS A 48 0.292 -17.629 -21.353 1.00 42.34 C ATOM 764 NE2 HIS A 48 -0.815 -17.981 -21.982 1.00 43.53 N ATOM 0 H HIS A 48 -2.401 -13.389 -22.963 1.00 71.32 H new ATOM 0 HA HIS A 48 0.189 -13.637 -21.557 1.00 55.23 H new ATOM 0 HB2 HIS A 48 -0.860 -14.626 -24.227 1.00 12.32 H new ATOM 0 HB3 HIS A 48 0.853 -14.587 -23.864 1.00 12.32 H new ATOM 0 HD1 HIS A 48 1.473 -15.915 -21.465 1.00 72.31 H new ATOM 0 HD2 HIS A 48 -2.036 -16.969 -23.498 1.00 3.22 H new ATOM 0 HE1 HIS A 48 0.813 -18.219 -20.614 1.00 42.34 H new ATOM 772 N GLU A 49 -0.631 -11.136 -23.074 1.00 2.55 N ATOM 773 CA GLU A 49 -0.246 -9.858 -23.662 1.00 13.23 C ATOM 774 C GLU A 49 0.006 -8.814 -22.578 1.00 13.32 C ATOM 775 O GLU A 49 -0.426 -8.953 -21.433 1.00 72.54 O ATOM 776 CB GLU A 49 -1.334 -9.364 -24.618 1.00 44.23 C ATOM 777 CG GLU A 49 -0.974 -9.528 -26.085 1.00 40.34 C ATOM 778 CD GLU A 49 -0.022 -10.683 -26.327 1.00 44.31 C ATOM 779 OE1 GLU A 49 -0.132 -11.701 -25.613 1.00 21.14 O ATOM 780 OE2 GLU A 49 0.834 -10.568 -27.230 1.00 35.43 O ATOM 0 H GLU A 49 -1.544 -11.134 -22.620 1.00 2.55 H new ATOM 0 HA GLU A 49 0.678 -10.007 -24.220 1.00 13.23 H new ATOM 0 HB2 GLU A 49 -2.257 -9.907 -24.416 1.00 44.23 H new ATOM 0 HB3 GLU A 49 -1.533 -8.311 -24.417 1.00 44.23 H new ATOM 0 HG2 GLU A 49 -1.885 -9.685 -26.663 1.00 40.34 H new ATOM 0 HG3 GLU A 49 -0.521 -8.606 -26.449 1.00 40.34 H new ATOM 787 N PRO A 50 0.723 -7.741 -22.945 1.00 75.22 N ATOM 788 CA PRO A 50 1.049 -6.652 -22.020 1.00 31.23 C ATOM 789 C PRO A 50 -0.176 -5.826 -21.642 1.00 21.23 C ATOM 790 O PRO A 50 -1.155 -5.771 -22.388 1.00 4.05 O ATOM 791 CB PRO A 50 2.045 -5.801 -22.811 1.00 53.30 C ATOM 792 CG PRO A 50 1.728 -6.078 -24.240 1.00 45.12 C ATOM 793 CD PRO A 50 1.269 -7.509 -24.293 1.00 2.24 C ATOM 0 HA PRO A 50 1.443 -7.025 -21.074 1.00 31.23 H new ATOM 0 HB2 PRO A 50 1.933 -4.742 -22.579 1.00 53.30 H new ATOM 0 HB3 PRO A 50 3.074 -6.072 -22.574 1.00 53.30 H new ATOM 0 HG2 PRO A 50 0.952 -5.405 -24.605 1.00 45.12 H new ATOM 0 HG3 PRO A 50 2.604 -5.926 -24.871 1.00 45.12 H new ATOM 0 HD2 PRO A 50 0.514 -7.661 -25.064 1.00 2.24 H new ATOM 0 HD3 PRO A 50 2.093 -8.187 -24.515 1.00 2.24 H new ATOM 801 N LEU A 51 -0.115 -5.185 -20.480 1.00 14.01 N ATOM 802 CA LEU A 51 -1.220 -4.360 -20.003 1.00 32.33 C ATOM 803 C LEU A 51 -1.482 -3.197 -20.954 1.00 5.22 C ATOM 804 O LEU A 51 -2.594 -3.026 -21.452 1.00 73.30 O ATOM 805 CB LEU A 51 -0.918 -3.830 -18.600 1.00 43.43 C ATOM 806 CG LEU A 51 -2.013 -2.981 -17.953 1.00 20.40 C ATOM 807 CD1 LEU A 51 -3.150 -3.863 -17.461 1.00 32.21 C ATOM 808 CD2 LEU A 51 -1.442 -2.156 -16.809 1.00 33.11 C ATOM 0 H LEU A 51 0.687 -5.220 -19.851 1.00 14.01 H new ATOM 0 HA LEU A 51 -2.115 -4.981 -19.965 1.00 32.33 H new ATOM 0 HB2 LEU A 51 -0.713 -4.680 -17.949 1.00 43.43 H new ATOM 0 HB3 LEU A 51 -0.005 -3.236 -18.646 1.00 43.43 H new ATOM 0 HG LEU A 51 -2.409 -2.298 -18.704 1.00 20.40 H new ATOM 0 HD11 LEU A 51 -3.920 -3.242 -17.003 1.00 32.21 H new ATOM 0 HD12 LEU A 51 -3.577 -4.410 -18.302 1.00 32.21 H new ATOM 0 HD13 LEU A 51 -2.769 -4.570 -16.724 1.00 32.21 H new ATOM 0 HD21 LEU A 51 -2.235 -1.558 -16.360 1.00 33.11 H new ATOM 0 HD22 LEU A 51 -1.019 -2.821 -16.056 1.00 33.11 H new ATOM 0 HD23 LEU A 51 -0.662 -1.497 -17.190 1.00 33.11 H new ATOM 820 N VAL A 52 -0.448 -2.399 -21.203 1.00 64.32 N ATOM 821 CA VAL A 52 -0.564 -1.254 -22.097 1.00 51.44 C ATOM 822 C VAL A 52 -1.556 -1.532 -23.221 1.00 33.11 C ATOM 823 O VAL A 52 -2.414 -0.703 -23.525 1.00 33.11 O ATOM 824 CB VAL A 52 0.798 -0.880 -22.711 1.00 62.03 C ATOM 825 CG1 VAL A 52 1.295 -1.990 -23.624 1.00 61.45 C ATOM 826 CG2 VAL A 52 0.699 0.437 -23.465 1.00 51.45 C ATOM 0 H VAL A 52 0.479 -2.525 -20.798 1.00 64.32 H new ATOM 0 HA VAL A 52 -0.925 -0.419 -21.496 1.00 51.44 H new ATOM 0 HB VAL A 52 1.519 -0.756 -21.903 1.00 62.03 H new ATOM 0 HG11 VAL A 52 2.258 -1.708 -24.049 1.00 61.45 H new ATOM 0 HG12 VAL A 52 1.407 -2.910 -23.051 1.00 61.45 H new ATOM 0 HG13 VAL A 52 0.577 -2.149 -24.428 1.00 61.45 H new ATOM 0 HG21 VAL A 52 1.671 0.686 -23.892 1.00 51.45 H new ATOM 0 HG22 VAL A 52 -0.036 0.344 -24.265 1.00 51.45 H new ATOM 0 HG23 VAL A 52 0.391 1.227 -22.779 1.00 51.45 H new ATOM 836 N ASP A 53 -1.434 -2.704 -23.834 1.00 64.10 N ATOM 837 CA ASP A 53 -2.321 -3.094 -24.924 1.00 0.43 C ATOM 838 C ASP A 53 -3.780 -3.042 -24.481 1.00 60.41 C ATOM 839 O ASP A 53 -4.583 -2.293 -25.038 1.00 24.11 O ATOM 840 CB ASP A 53 -1.973 -4.500 -25.415 1.00 53.43 C ATOM 841 CG ASP A 53 -2.431 -4.744 -26.840 1.00 25.42 C ATOM 842 OD1 ASP A 53 -3.516 -4.249 -27.208 1.00 2.44 O ATOM 843 OD2 ASP A 53 -1.704 -5.433 -27.587 1.00 5.33 O ATOM 0 H ASP A 53 -0.729 -3.401 -23.595 1.00 64.10 H new ATOM 0 HA ASP A 53 -2.183 -2.388 -25.743 1.00 0.43 H new ATOM 0 HB2 ASP A 53 -0.895 -4.647 -25.352 1.00 53.43 H new ATOM 0 HB3 ASP A 53 -2.434 -5.236 -24.757 1.00 53.43 H new ATOM 848 N VAL A 54 -4.117 -3.845 -23.477 1.00 21.14 N ATOM 849 CA VAL A 54 -5.479 -3.891 -22.959 1.00 32.41 C ATOM 850 C VAL A 54 -5.956 -2.505 -22.541 1.00 43.21 C ATOM 851 O VAL A 54 -7.140 -2.187 -22.648 1.00 21.25 O ATOM 852 CB VAL A 54 -5.590 -4.845 -21.754 1.00 43.32 C ATOM 853 CG1 VAL A 54 -6.989 -4.795 -21.160 1.00 51.12 C ATOM 854 CG2 VAL A 54 -5.225 -6.264 -22.163 1.00 55.13 C ATOM 0 H VAL A 54 -3.465 -4.473 -23.006 1.00 21.14 H new ATOM 0 HA VAL A 54 -6.111 -4.261 -23.766 1.00 32.41 H new ATOM 0 HB VAL A 54 -4.885 -4.520 -20.989 1.00 43.32 H new ATOM 0 HG11 VAL A 54 -7.048 -5.475 -20.310 1.00 51.12 H new ATOM 0 HG12 VAL A 54 -7.207 -3.780 -20.828 1.00 51.12 H new ATOM 0 HG13 VAL A 54 -7.716 -5.094 -21.915 1.00 51.12 H new ATOM 0 HG21 VAL A 54 -5.309 -6.924 -21.300 1.00 55.13 H new ATOM 0 HG22 VAL A 54 -5.903 -6.603 -22.946 1.00 55.13 H new ATOM 0 HG23 VAL A 54 -4.201 -6.283 -22.536 1.00 55.13 H new ATOM 864 N GLN A 55 -5.025 -1.683 -22.066 1.00 60.41 N ATOM 865 CA GLN A 55 -5.351 -0.330 -21.632 1.00 63.10 C ATOM 866 C GLN A 55 -5.903 0.495 -22.790 1.00 21.12 C ATOM 867 O GLN A 55 -6.919 1.174 -22.651 1.00 51.21 O ATOM 868 CB GLN A 55 -4.113 0.353 -21.049 1.00 25.14 C ATOM 869 CG GLN A 55 -3.420 -0.463 -19.969 1.00 1.43 C ATOM 870 CD GLN A 55 -2.881 0.398 -18.843 1.00 44.03 C ATOM 871 OE1 GLN A 55 -2.406 1.512 -19.070 1.00 75.42 O ATOM 872 NE2 GLN A 55 -2.950 -0.114 -17.620 1.00 72.42 N ATOM 0 H GLN A 55 -4.040 -1.931 -21.972 1.00 60.41 H new ATOM 0 HA GLN A 55 -6.118 -0.398 -20.860 1.00 63.10 H new ATOM 0 HB2 GLN A 55 -3.405 0.551 -21.854 1.00 25.14 H new ATOM 0 HB3 GLN A 55 -4.402 1.318 -20.634 1.00 25.14 H new ATOM 0 HG2 GLN A 55 -4.122 -1.190 -19.561 1.00 1.43 H new ATOM 0 HG3 GLN A 55 -2.600 -1.027 -20.415 1.00 1.43 H new ATOM 0 HE21 GLN A 55 -3.351 -1.041 -17.477 1.00 72.42 H new ATOM 0 HE22 GLN A 55 -2.602 0.419 -16.823 1.00 72.42 H new ATOM 881 N ASN A 56 -5.226 0.431 -23.932 1.00 22.43 N ATOM 882 CA ASN A 56 -5.649 1.173 -25.114 1.00 24.32 C ATOM 883 C ASN A 56 -7.116 0.900 -25.431 1.00 42.13 C ATOM 884 O ASN A 56 -7.799 1.734 -26.027 1.00 24.33 O ATOM 885 CB ASN A 56 -4.777 0.799 -26.315 1.00 14.02 C ATOM 886 CG ASN A 56 -3.413 1.459 -26.267 1.00 1.02 C ATOM 887 OD1 ASN A 56 -3.234 2.576 -26.752 1.00 41.05 O ATOM 888 ND2 ASN A 56 -2.442 0.769 -25.679 1.00 73.23 N ATOM 0 H ASN A 56 -4.382 -0.127 -24.064 1.00 22.43 H new ATOM 0 HA ASN A 56 -5.533 2.237 -24.906 1.00 24.32 H new ATOM 0 HB2 ASN A 56 -4.653 -0.283 -26.347 1.00 14.02 H new ATOM 0 HB3 ASN A 56 -5.286 1.089 -27.234 1.00 14.02 H new ATOM 0 HD21 ASN A 56 -1.503 1.162 -25.616 1.00 73.23 H new ATOM 0 HD22 ASN A 56 -2.636 -0.154 -25.290 1.00 73.23 H new ATOM 895 N VAL A 57 -7.595 -0.273 -25.029 1.00 3.21 N ATOM 896 CA VAL A 57 -8.981 -0.655 -25.269 1.00 31.45 C ATOM 897 C VAL A 57 -9.944 0.337 -24.627 1.00 2.33 C ATOM 898 O VAL A 57 -10.951 0.718 -25.225 1.00 4.02 O ATOM 899 CB VAL A 57 -9.276 -2.066 -24.724 1.00 13.50 C ATOM 900 CG1 VAL A 57 -10.736 -2.430 -24.948 1.00 11.34 C ATOM 901 CG2 VAL A 57 -8.357 -3.090 -25.372 1.00 54.25 C ATOM 0 H VAL A 57 -7.043 -0.975 -24.536 1.00 3.21 H new ATOM 0 HA VAL A 57 -9.128 -0.652 -26.349 1.00 31.45 H new ATOM 0 HB VAL A 57 -9.086 -2.069 -23.651 1.00 13.50 H new ATOM 0 HG11 VAL A 57 -10.926 -3.430 -24.557 1.00 11.34 H new ATOM 0 HG12 VAL A 57 -11.373 -1.712 -24.433 1.00 11.34 H new ATOM 0 HG13 VAL A 57 -10.956 -2.410 -26.015 1.00 11.34 H new ATOM 0 HG21 VAL A 57 -8.579 -4.081 -24.975 1.00 54.25 H new ATOM 0 HG22 VAL A 57 -8.513 -3.088 -26.451 1.00 54.25 H new ATOM 0 HG23 VAL A 57 -7.319 -2.837 -25.155 1.00 54.25 H new ATOM 911 N CYS A 58 -9.628 0.754 -23.405 1.00 31.20 N ATOM 912 CA CYS A 58 -10.464 1.703 -22.680 1.00 74.31 C ATOM 913 C CYS A 58 -10.594 3.013 -23.451 1.00 51.12 C ATOM 914 O CYS A 58 -11.507 3.802 -23.206 1.00 40.35 O ATOM 915 CB CYS A 58 -9.881 1.971 -21.291 1.00 54.02 C ATOM 916 SG CYS A 58 -11.130 2.077 -19.969 1.00 23.24 S ATOM 0 H CYS A 58 -8.798 0.449 -22.896 1.00 31.20 H new ATOM 0 HA CYS A 58 -11.457 1.266 -22.572 1.00 74.31 H new ATOM 0 HB2 CYS A 58 -9.174 1.178 -21.046 1.00 54.02 H new ATOM 0 HB3 CYS A 58 -9.317 2.903 -21.319 1.00 54.02 H new ATOM 921 N PHE A 59 -9.675 3.238 -24.384 1.00 24.12 N ATOM 922 CA PHE A 59 -9.685 4.453 -25.191 1.00 30.43 C ATOM 923 C PHE A 59 -10.105 4.149 -26.626 1.00 23.51 C ATOM 924 O PHE A 59 -10.216 5.051 -27.455 1.00 2.32 O ATOM 925 CB PHE A 59 -8.303 5.109 -25.180 1.00 11.33 C ATOM 926 CG PHE A 59 -7.638 5.083 -23.834 1.00 25.05 C ATOM 927 CD1 PHE A 59 -8.286 5.581 -22.715 1.00 55.43 C ATOM 928 CD2 PHE A 59 -6.363 4.559 -23.686 1.00 52.41 C ATOM 929 CE1 PHE A 59 -7.676 5.559 -21.476 1.00 1.03 C ATOM 930 CE2 PHE A 59 -5.748 4.534 -22.449 1.00 23.02 C ATOM 931 CZ PHE A 59 -6.405 5.034 -21.342 1.00 35.40 C ATOM 0 H PHE A 59 -8.914 2.595 -24.600 1.00 24.12 H new ATOM 0 HA PHE A 59 -10.410 5.142 -24.757 1.00 30.43 H new ATOM 0 HB2 PHE A 59 -7.663 4.602 -25.902 1.00 11.33 H new ATOM 0 HB3 PHE A 59 -8.398 6.144 -25.509 1.00 11.33 H new ATOM 0 HD1 PHE A 59 -9.280 5.991 -22.813 1.00 55.43 H new ATOM 0 HD2 PHE A 59 -5.844 4.166 -24.548 1.00 52.41 H new ATOM 0 HE1 PHE A 59 -8.192 5.952 -20.613 1.00 1.03 H new ATOM 0 HE2 PHE A 59 -4.754 4.124 -22.348 1.00 23.02 H new ATOM 0 HZ PHE A 59 -5.927 5.015 -20.374 1.00 35.40 H new ATOM 941 N GLN A 60 -10.336 2.871 -26.910 1.00 64.05 N ATOM 942 CA GLN A 60 -10.742 2.448 -28.245 1.00 64.44 C ATOM 943 C GLN A 60 -12.261 2.444 -28.377 1.00 11.51 C ATOM 944 O GLN A 60 -12.831 3.250 -29.113 1.00 21.45 O ATOM 945 CB GLN A 60 -10.189 1.055 -28.552 1.00 25.31 C ATOM 946 CG GLN A 60 -8.713 1.053 -28.919 1.00 13.21 C ATOM 947 CD GLN A 60 -8.475 0.720 -30.379 1.00 14.14 C ATOM 948 OE1 GLN A 60 -8.658 1.563 -31.257 1.00 53.14 O ATOM 949 NE2 GLN A 60 -8.065 -0.514 -30.645 1.00 60.31 N ATOM 0 H GLN A 60 -10.249 2.112 -26.234 1.00 64.05 H new ATOM 0 HA GLN A 60 -10.335 3.160 -28.963 1.00 64.44 H new ATOM 0 HB2 GLN A 60 -10.340 0.414 -27.683 1.00 25.31 H new ATOM 0 HB3 GLN A 60 -10.759 0.620 -29.372 1.00 25.31 H new ATOM 0 HG2 GLN A 60 -8.287 2.032 -28.699 1.00 13.21 H new ATOM 0 HG3 GLN A 60 -8.188 0.329 -28.295 1.00 13.21 H new ATOM 0 HE21 GLN A 60 -7.926 -1.180 -29.885 1.00 60.31 H new ATOM 0 HE22 GLN A 60 -7.888 -0.796 -31.609 1.00 60.31 H new ATOM 958 N GLU A 61 -12.910 1.533 -27.659 1.00 55.30 N ATOM 959 CA GLU A 61 -14.364 1.426 -27.697 1.00 72.45 C ATOM 960 C GLU A 61 -14.940 1.326 -26.288 1.00 22.52 C ATOM 961 O GLU A 61 -14.201 1.298 -25.303 1.00 41.42 O ATOM 962 CB GLU A 61 -14.786 0.206 -28.520 1.00 41.21 C ATOM 963 CG GLU A 61 -16.175 0.330 -29.124 1.00 3.02 C ATOM 964 CD GLU A 61 -16.338 -0.495 -30.386 1.00 1.42 C ATOM 965 OE1 GLU A 61 -15.762 -1.601 -30.451 1.00 52.31 O ATOM 966 OE2 GLU A 61 -17.042 -0.033 -31.308 1.00 72.23 O ATOM 0 H GLU A 61 -12.453 0.859 -27.045 1.00 55.30 H new ATOM 0 HA GLU A 61 -14.757 2.327 -28.168 1.00 72.45 H new ATOM 0 HB2 GLU A 61 -14.063 0.051 -29.321 1.00 41.21 H new ATOM 0 HB3 GLU A 61 -14.753 -0.679 -27.885 1.00 41.21 H new ATOM 0 HG2 GLU A 61 -16.916 0.014 -28.390 1.00 3.02 H new ATOM 0 HG3 GLU A 61 -16.377 1.377 -29.350 1.00 3.02 H new ATOM 973 N LYS A 62 -16.264 1.271 -26.198 1.00 54.55 N ATOM 974 CA LYS A 62 -16.942 1.174 -24.911 1.00 24.11 C ATOM 975 C LYS A 62 -18.073 0.152 -24.967 1.00 41.42 C ATOM 976 O LYS A 62 -18.578 -0.171 -26.042 1.00 64.34 O ATOM 977 CB LYS A 62 -17.494 2.540 -24.497 1.00 63.10 C ATOM 978 CG LYS A 62 -16.418 3.535 -24.099 1.00 0.44 C ATOM 979 CD LYS A 62 -16.961 4.954 -24.050 1.00 32.34 C ATOM 980 CE LYS A 62 -16.975 5.593 -25.430 1.00 3.35 C ATOM 981 NZ LYS A 62 -16.798 7.070 -25.358 1.00 44.21 N ATOM 0 H LYS A 62 -16.890 1.292 -27.003 1.00 54.55 H new ATOM 0 HA LYS A 62 -16.214 0.844 -24.170 1.00 24.11 H new ATOM 0 HB2 LYS A 62 -18.073 2.954 -25.323 1.00 63.10 H new ATOM 0 HB3 LYS A 62 -18.181 2.407 -23.661 1.00 63.10 H new ATOM 0 HG2 LYS A 62 -16.015 3.265 -23.123 1.00 0.44 H new ATOM 0 HG3 LYS A 62 -15.593 3.484 -24.810 1.00 0.44 H new ATOM 0 HD2 LYS A 62 -17.972 4.944 -23.642 1.00 32.34 H new ATOM 0 HD3 LYS A 62 -16.351 5.555 -23.376 1.00 32.34 H new ATOM 0 HE2 LYS A 62 -16.180 5.161 -26.039 1.00 3.35 H new ATOM 0 HE3 LYS A 62 -17.918 5.364 -25.927 1.00 3.35 H new ATOM 0 HZ1 LYS A 62 -16.813 7.469 -26.318 1.00 44.21 H new ATOM 0 HZ2 LYS A 62 -17.570 7.485 -24.799 1.00 44.21 H new ATOM 0 HZ3 LYS A 62 -15.887 7.289 -24.907 1.00 44.21 H new ATOM 995 N VAL A 63 -18.468 -0.351 -23.802 1.00 70.31 N ATOM 996 CA VAL A 63 -19.542 -1.334 -23.719 1.00 22.02 C ATOM 997 C VAL A 63 -20.431 -1.075 -22.508 1.00 11.00 C ATOM 998 O VAL A 63 -20.182 -0.157 -21.725 1.00 74.31 O ATOM 999 CB VAL A 63 -18.985 -2.768 -23.636 1.00 13.21 C ATOM 1000 CG1 VAL A 63 -17.989 -3.020 -24.757 1.00 42.42 C ATOM 1001 CG2 VAL A 63 -18.345 -3.013 -22.278 1.00 13.32 C ATOM 0 H VAL A 63 -18.061 -0.094 -22.903 1.00 70.31 H new ATOM 0 HA VAL A 63 -20.134 -1.234 -24.629 1.00 22.02 H new ATOM 0 HB VAL A 63 -19.812 -3.468 -23.754 1.00 13.21 H new ATOM 0 HG11 VAL A 63 -17.606 -4.038 -24.682 1.00 42.42 H new ATOM 0 HG12 VAL A 63 -18.483 -2.888 -25.719 1.00 42.42 H new ATOM 0 HG13 VAL A 63 -17.162 -2.315 -24.674 1.00 42.42 H new ATOM 0 HG21 VAL A 63 -17.957 -4.031 -22.237 1.00 13.32 H new ATOM 0 HG22 VAL A 63 -17.528 -2.307 -22.128 1.00 13.32 H new ATOM 0 HG23 VAL A 63 -19.091 -2.877 -21.495 1.00 13.32 H new ATOM 1011 N THR A 64 -21.471 -1.890 -22.359 1.00 25.45 N ATOM 1012 CA THR A 64 -22.398 -1.750 -21.243 1.00 51.33 C ATOM 1013 C THR A 64 -22.117 -2.785 -20.160 1.00 71.24 C ATOM 1014 O THR A 64 -21.498 -3.818 -20.420 1.00 0.51 O ATOM 1015 CB THR A 64 -23.860 -1.893 -21.707 1.00 50.51 C ATOM 1016 OG1 THR A 64 -23.951 -1.661 -23.117 1.00 54.13 O ATOM 1017 CG2 THR A 64 -24.760 -0.914 -20.968 1.00 33.10 C ATOM 0 H THR A 64 -21.692 -2.654 -22.998 1.00 25.45 H new ATOM 0 HA THR A 64 -22.250 -0.751 -20.833 1.00 51.33 H new ATOM 0 HB THR A 64 -24.192 -2.907 -21.484 1.00 50.51 H new ATOM 0 HG1 THR A 64 -24.883 -1.755 -23.405 1.00 54.13 H new ATOM 0 HG21 THR A 64 -25.787 -1.033 -21.312 1.00 33.10 H new ATOM 0 HG22 THR A 64 -24.711 -1.112 -19.897 1.00 33.10 H new ATOM 0 HG23 THR A 64 -24.428 0.105 -21.164 1.00 33.10 H new ATOM 1025 N CYS A 65 -22.576 -2.504 -18.946 1.00 13.33 N ATOM 1026 CA CYS A 65 -22.375 -3.411 -17.822 1.00 41.23 C ATOM 1027 C CYS A 65 -23.676 -3.621 -17.053 1.00 2.33 C ATOM 1028 O CYS A 65 -24.663 -2.919 -17.275 1.00 45.15 O ATOM 1029 CB CYS A 65 -21.297 -2.863 -16.884 1.00 73.14 C ATOM 1030 SG CYS A 65 -19.636 -3.549 -17.180 1.00 43.43 S ATOM 0 H CYS A 65 -23.091 -1.654 -18.715 1.00 13.33 H new ATOM 0 HA CYS A 65 -22.048 -4.373 -18.217 1.00 41.23 H new ATOM 0 HB2 CYS A 65 -21.255 -1.779 -16.990 1.00 73.14 H new ATOM 0 HB3 CYS A 65 -21.586 -3.072 -15.854 1.00 73.14 H new ATOM 1035 N LYS A 66 -23.670 -4.592 -16.146 1.00 2.44 N ATOM 1036 CA LYS A 66 -24.847 -4.895 -15.341 1.00 13.42 C ATOM 1037 C LYS A 66 -25.502 -3.615 -14.831 1.00 50.31 C ATOM 1038 O LYS A 66 -26.709 -3.425 -14.972 1.00 73.45 O ATOM 1039 CB LYS A 66 -24.467 -5.791 -14.160 1.00 44.40 C ATOM 1040 CG LYS A 66 -25.051 -7.190 -14.245 1.00 12.10 C ATOM 1041 CD LYS A 66 -25.051 -7.877 -12.890 1.00 32.41 C ATOM 1042 CE LYS A 66 -25.552 -9.310 -12.992 1.00 14.13 C ATOM 1043 NZ LYS A 66 -26.248 -9.744 -11.748 1.00 43.15 N ATOM 0 H LYS A 66 -22.862 -5.183 -15.950 1.00 2.44 H new ATOM 0 HA LYS A 66 -25.562 -5.422 -15.973 1.00 13.42 H new ATOM 0 HB2 LYS A 66 -23.381 -5.863 -14.104 1.00 44.40 H new ATOM 0 HB3 LYS A 66 -24.804 -5.322 -13.236 1.00 44.40 H new ATOM 0 HG2 LYS A 66 -26.070 -7.137 -14.627 1.00 12.10 H new ATOM 0 HG3 LYS A 66 -24.475 -7.783 -14.955 1.00 12.10 H new ATOM 0 HD2 LYS A 66 -24.042 -7.872 -12.478 1.00 32.41 H new ATOM 0 HD3 LYS A 66 -25.681 -7.319 -12.198 1.00 32.41 H new ATOM 0 HE2 LYS A 66 -26.233 -9.397 -13.839 1.00 14.13 H new ATOM 0 HE3 LYS A 66 -24.712 -9.976 -13.189 1.00 14.13 H new ATOM 0 HZ1 LYS A 66 -26.574 -10.725 -11.857 1.00 43.15 H new ATOM 0 HZ2 LYS A 66 -25.591 -9.685 -10.944 1.00 43.15 H new ATOM 0 HZ3 LYS A 66 -27.065 -9.125 -11.573 1.00 43.15 H new ATOM 1057 N ASN A 67 -24.697 -2.739 -14.239 1.00 43.30 N ATOM 1058 CA ASN A 67 -25.198 -1.476 -13.709 1.00 55.12 C ATOM 1059 C ASN A 67 -25.868 -0.654 -14.806 1.00 14.31 C ATOM 1060 O ASN A 67 -26.775 0.134 -14.540 1.00 0.25 O ATOM 1061 CB ASN A 67 -24.058 -0.674 -13.080 1.00 3.23 C ATOM 1062 CG ASN A 67 -24.545 0.597 -12.410 1.00 70.42 C ATOM 1063 OD1 ASN A 67 -24.628 0.673 -11.184 1.00 44.12 O ATOM 1064 ND2 ASN A 67 -24.871 1.602 -13.215 1.00 21.43 N ATOM 0 H ASN A 67 -23.695 -2.880 -14.114 1.00 43.30 H new ATOM 0 HA ASN A 67 -25.940 -1.701 -12.943 1.00 55.12 H new ATOM 0 HB2 ASN A 67 -23.543 -1.294 -12.346 1.00 3.23 H new ATOM 0 HB3 ASN A 67 -23.329 -0.419 -13.849 1.00 3.23 H new ATOM 0 HD21 ASN A 67 -25.206 2.482 -12.822 1.00 21.43 H new ATOM 0 HD22 ASN A 67 -24.786 1.494 -14.226 1.00 21.43 H new ATOM 1071 N GLY A 68 -25.415 -0.844 -16.041 1.00 52.14 N ATOM 1072 CA GLY A 68 -25.982 -0.114 -17.160 1.00 40.31 C ATOM 1073 C GLY A 68 -25.175 1.119 -17.517 1.00 24.41 C ATOM 1074 O GLY A 68 -25.720 2.102 -18.017 1.00 72.44 O ATOM 0 H GLY A 68 -24.665 -1.490 -16.287 1.00 52.14 H new ATOM 0 HA2 GLY A 68 -26.038 -0.771 -18.028 1.00 40.31 H new ATOM 0 HA3 GLY A 68 -27.003 0.181 -16.917 1.00 40.31 H new ATOM 1078 N GLN A 69 -23.872 1.066 -17.257 1.00 51.44 N ATOM 1079 CA GLN A 69 -22.989 2.189 -17.553 1.00 33.25 C ATOM 1080 C GLN A 69 -21.851 1.759 -18.471 1.00 63.35 C ATOM 1081 O GLN A 69 -21.721 0.582 -18.807 1.00 3.13 O ATOM 1082 CB GLN A 69 -22.422 2.773 -16.258 1.00 14.34 C ATOM 1083 CG GLN A 69 -23.427 3.603 -15.474 1.00 23.44 C ATOM 1084 CD GLN A 69 -23.932 4.800 -16.255 1.00 24.41 C ATOM 1085 OE1 GLN A 69 -23.333 5.875 -16.222 1.00 24.14 O ATOM 1086 NE2 GLN A 69 -25.039 4.619 -16.964 1.00 55.24 N ATOM 0 H GLN A 69 -23.405 0.259 -16.843 1.00 51.44 H new ATOM 0 HA GLN A 69 -23.574 2.954 -18.064 1.00 33.25 H new ATOM 0 HB2 GLN A 69 -22.065 1.959 -15.627 1.00 14.34 H new ATOM 0 HB3 GLN A 69 -21.558 3.393 -16.497 1.00 14.34 H new ATOM 0 HG2 GLN A 69 -24.272 2.974 -15.194 1.00 23.44 H new ATOM 0 HG3 GLN A 69 -22.965 3.947 -14.548 1.00 23.44 H new ATOM 0 HE21 GLN A 69 -25.503 3.711 -16.962 1.00 55.24 H new ATOM 0 HE22 GLN A 69 -25.426 5.388 -17.511 1.00 55.24 H new ATOM 1095 N GLY A 70 -21.027 2.721 -18.876 1.00 54.22 N ATOM 1096 CA GLY A 70 -19.911 2.422 -19.753 1.00 65.12 C ATOM 1097 C GLY A 70 -18.622 2.185 -18.991 1.00 1.32 C ATOM 1098 O GLY A 70 -17.575 2.724 -19.346 1.00 41.42 O ATOM 0 H GLY A 70 -21.113 3.702 -18.612 1.00 54.22 H new ATOM 0 HA2 GLY A 70 -20.146 1.539 -20.347 1.00 65.12 H new ATOM 0 HA3 GLY A 70 -19.770 3.247 -20.451 1.00 65.12 H new ATOM 1102 N ASN A 71 -18.699 1.378 -17.938 1.00 22.20 N ATOM 1103 CA ASN A 71 -17.529 1.073 -17.122 1.00 34.15 C ATOM 1104 C ASN A 71 -16.678 -0.012 -17.774 1.00 50.13 C ATOM 1105 O ASN A 71 -15.493 -0.153 -17.471 1.00 42.33 O ATOM 1106 CB ASN A 71 -17.960 0.626 -15.723 1.00 53.21 C ATOM 1107 CG ASN A 71 -16.832 0.719 -14.713 1.00 75.45 C ATOM 1108 OD1 ASN A 71 -16.925 1.451 -13.728 1.00 42.13 O ATOM 1109 ND2 ASN A 71 -15.760 -0.026 -14.955 1.00 61.11 N ATOM 0 H ASN A 71 -19.559 0.924 -17.630 1.00 22.20 H new ATOM 0 HA ASN A 71 -16.929 1.979 -17.039 1.00 34.15 H new ATOM 0 HB2 ASN A 71 -18.795 1.242 -15.389 1.00 53.21 H new ATOM 0 HB3 ASN A 71 -18.320 -0.402 -15.768 1.00 53.21 H new ATOM 0 HD21 ASN A 71 -14.969 -0.006 -14.311 1.00 61.11 H new ATOM 0 HD22 ASN A 71 -15.727 -0.618 -15.785 1.00 61.11 H new ATOM 1116 N CYS A 72 -17.290 -0.776 -18.672 1.00 72.34 N ATOM 1117 CA CYS A 72 -16.590 -1.849 -19.369 1.00 51.41 C ATOM 1118 C CYS A 72 -16.299 -1.458 -20.815 1.00 62.43 C ATOM 1119 O CYS A 72 -16.906 -0.533 -21.354 1.00 53.20 O ATOM 1120 CB CYS A 72 -17.418 -3.134 -19.333 1.00 74.42 C ATOM 1121 SG CYS A 72 -19.208 -2.861 -19.130 1.00 41.41 S ATOM 0 H CYS A 72 -18.270 -0.672 -18.935 1.00 72.34 H new ATOM 0 HA CYS A 72 -15.642 -2.022 -18.860 1.00 51.41 H new ATOM 0 HB2 CYS A 72 -17.248 -3.689 -20.256 1.00 74.42 H new ATOM 0 HB3 CYS A 72 -17.062 -3.760 -18.515 1.00 74.42 H new ATOM 1126 N TYR A 73 -15.366 -2.170 -21.438 1.00 32.53 N ATOM 1127 CA TYR A 73 -14.992 -1.898 -22.820 1.00 54.05 C ATOM 1128 C TYR A 73 -14.483 -3.162 -23.506 1.00 40.14 C ATOM 1129 O TYR A 73 -14.070 -4.117 -22.848 1.00 72.11 O ATOM 1130 CB TYR A 73 -13.921 -0.807 -22.876 1.00 33.32 C ATOM 1131 CG TYR A 73 -14.093 0.264 -21.823 1.00 54.31 C ATOM 1132 CD1 TYR A 73 -13.803 0.009 -20.489 1.00 25.41 C ATOM 1133 CD2 TYR A 73 -14.546 1.533 -22.163 1.00 51.33 C ATOM 1134 CE1 TYR A 73 -13.959 0.985 -19.524 1.00 31.41 C ATOM 1135 CE2 TYR A 73 -14.704 2.516 -21.205 1.00 73.12 C ATOM 1136 CZ TYR A 73 -14.410 2.237 -19.887 1.00 20.51 C ATOM 1137 OH TYR A 73 -14.566 3.212 -18.929 1.00 21.12 O ATOM 0 H TYR A 73 -14.855 -2.940 -21.007 1.00 32.53 H new ATOM 0 HA TYR A 73 -15.881 -1.553 -23.348 1.00 54.05 H new ATOM 0 HB2 TYR A 73 -12.940 -1.266 -22.758 1.00 33.32 H new ATOM 0 HB3 TYR A 73 -13.939 -0.342 -23.862 1.00 33.32 H new ATOM 0 HD1 TYR A 73 -13.449 -0.970 -20.201 1.00 25.41 H new ATOM 0 HD2 TYR A 73 -14.779 1.755 -23.194 1.00 51.33 H new ATOM 0 HE1 TYR A 73 -13.729 0.769 -18.491 1.00 31.41 H new ATOM 0 HE2 TYR A 73 -15.056 3.497 -21.487 1.00 73.12 H new ATOM 0 HH TYR A 73 -13.687 3.484 -18.593 1.00 21.12 H new ATOM 1147 N LYS A 74 -14.515 -3.160 -24.835 1.00 4.13 N ATOM 1148 CA LYS A 74 -14.055 -4.304 -25.613 1.00 50.02 C ATOM 1149 C LYS A 74 -12.837 -3.936 -26.455 1.00 15.41 C ATOM 1150 O LYS A 74 -12.801 -2.876 -27.080 1.00 4.45 O ATOM 1151 CB LYS A 74 -15.178 -4.815 -26.518 1.00 72.42 C ATOM 1152 CG LYS A 74 -15.785 -6.127 -26.052 1.00 71.41 C ATOM 1153 CD LYS A 74 -16.988 -6.516 -26.896 1.00 23.35 C ATOM 1154 CE LYS A 74 -18.073 -7.167 -26.052 1.00 20.41 C ATOM 1155 NZ LYS A 74 -19.437 -6.796 -26.520 1.00 40.01 N ATOM 0 H LYS A 74 -14.855 -2.378 -25.395 1.00 4.13 H new ATOM 0 HA LYS A 74 -13.769 -5.093 -24.918 1.00 50.02 H new ATOM 0 HB2 LYS A 74 -15.962 -4.060 -26.571 1.00 72.42 H new ATOM 0 HB3 LYS A 74 -14.789 -4.943 -27.528 1.00 72.42 H new ATOM 0 HG2 LYS A 74 -15.034 -6.915 -26.103 1.00 71.41 H new ATOM 0 HG3 LYS A 74 -16.085 -6.040 -25.008 1.00 71.41 H new ATOM 0 HD2 LYS A 74 -17.390 -5.631 -27.388 1.00 23.35 H new ATOM 0 HD3 LYS A 74 -16.675 -7.203 -27.682 1.00 23.35 H new ATOM 0 HE2 LYS A 74 -17.959 -8.250 -26.087 1.00 20.41 H new ATOM 0 HE3 LYS A 74 -17.952 -6.867 -25.011 1.00 20.41 H new ATOM 0 HZ1 LYS A 74 -20.148 -7.260 -25.919 1.00 40.01 H new ATOM 0 HZ2 LYS A 74 -19.555 -5.764 -26.463 1.00 40.01 H new ATOM 0 HZ3 LYS A 74 -19.562 -7.105 -27.505 1.00 40.01 H new ATOM 1169 N SER A 75 -11.844 -4.818 -26.468 1.00 24.21 N ATOM 1170 CA SER A 75 -10.624 -4.584 -27.231 1.00 65.24 C ATOM 1171 C SER A 75 -10.902 -4.641 -28.730 1.00 44.25 C ATOM 1172 O SER A 75 -11.463 -5.613 -29.232 1.00 72.52 O ATOM 1173 CB SER A 75 -9.558 -5.617 -26.859 1.00 71.25 C ATOM 1174 OG SER A 75 -9.769 -6.838 -27.548 1.00 1.22 O ATOM 0 H SER A 75 -11.860 -5.702 -25.959 1.00 24.21 H new ATOM 0 HA SER A 75 -10.256 -3.588 -26.984 1.00 65.24 H new ATOM 0 HB2 SER A 75 -8.569 -5.226 -27.099 1.00 71.25 H new ATOM 0 HB3 SER A 75 -9.578 -5.794 -25.784 1.00 71.25 H new ATOM 0 HG SER A 75 -9.046 -6.978 -28.194 1.00 1.22 H new ATOM 1180 N ASN A 76 -10.504 -3.590 -29.440 1.00 4.43 N ATOM 1181 CA ASN A 76 -10.710 -3.518 -30.882 1.00 20.03 C ATOM 1182 C ASN A 76 -9.664 -4.345 -31.623 1.00 21.34 C ATOM 1183 O ASN A 76 -9.567 -4.288 -32.848 1.00 61.44 O ATOM 1184 CB ASN A 76 -10.655 -2.064 -31.354 1.00 42.22 C ATOM 1185 CG ASN A 76 -12.017 -1.535 -31.759 1.00 73.30 C ATOM 1186 OD1 ASN A 76 -12.422 -1.651 -32.916 1.00 62.20 O ATOM 1187 ND2 ASN A 76 -12.732 -0.951 -30.805 1.00 14.22 N ATOM 0 H ASN A 76 -10.037 -2.776 -29.040 1.00 4.43 H new ATOM 0 HA ASN A 76 -11.695 -3.928 -31.104 1.00 20.03 H new ATOM 0 HB2 ASN A 76 -10.249 -1.441 -30.557 1.00 42.22 H new ATOM 0 HB3 ASN A 76 -9.972 -1.985 -32.200 1.00 42.22 H new ATOM 0 HD21 ASN A 76 -13.657 -0.576 -31.018 1.00 14.22 H new ATOM 0 HD22 ASN A 76 -12.357 -0.877 -29.859 1.00 14.22 H new ATOM 1194 N SER A 77 -8.883 -5.114 -30.870 1.00 35.02 N ATOM 1195 CA SER A 77 -7.842 -5.951 -31.454 1.00 51.13 C ATOM 1196 C SER A 77 -7.642 -7.222 -30.634 1.00 54.30 C ATOM 1197 O SER A 77 -7.517 -7.171 -29.411 1.00 12.25 O ATOM 1198 CB SER A 77 -6.526 -5.176 -31.544 1.00 30.11 C ATOM 1199 OG SER A 77 -6.476 -4.143 -30.575 1.00 44.24 O ATOM 0 H SER A 77 -8.952 -5.174 -29.854 1.00 35.02 H new ATOM 0 HA SER A 77 -8.159 -6.234 -32.458 1.00 51.13 H new ATOM 0 HB2 SER A 77 -5.688 -5.858 -31.397 1.00 30.11 H new ATOM 0 HB3 SER A 77 -6.419 -4.749 -32.541 1.00 30.11 H new ATOM 0 HG SER A 77 -5.625 -3.663 -30.652 1.00 44.24 H new ATOM 1205 N SER A 78 -7.614 -8.361 -31.318 1.00 23.34 N ATOM 1206 CA SER A 78 -7.433 -9.647 -30.653 1.00 52.23 C ATOM 1207 C SER A 78 -6.208 -9.622 -29.745 1.00 3.51 C ATOM 1208 O SER A 78 -5.342 -8.757 -29.877 1.00 65.51 O ATOM 1209 CB SER A 78 -7.292 -10.764 -31.689 1.00 23.34 C ATOM 1210 OG SER A 78 -6.027 -10.712 -32.326 1.00 31.11 O ATOM 0 H SER A 78 -7.714 -8.420 -32.331 1.00 23.34 H new ATOM 0 HA SER A 78 -8.313 -9.838 -30.040 1.00 52.23 H new ATOM 0 HB2 SER A 78 -7.419 -11.732 -31.204 1.00 23.34 H new ATOM 0 HB3 SER A 78 -8.082 -10.675 -32.435 1.00 23.34 H new ATOM 0 HG SER A 78 -5.961 -11.437 -32.982 1.00 31.11 H new ATOM 1216 N MET A 79 -6.143 -10.576 -28.822 1.00 51.04 N ATOM 1217 CA MET A 79 -5.024 -10.665 -27.892 1.00 45.41 C ATOM 1218 C MET A 79 -4.894 -12.077 -27.331 1.00 4.14 C ATOM 1219 O MET A 79 -5.893 -12.728 -27.023 1.00 2.53 O ATOM 1220 CB MET A 79 -5.202 -9.663 -26.749 1.00 61.23 C ATOM 1221 CG MET A 79 -4.412 -8.378 -26.938 1.00 71.24 C ATOM 1222 SD MET A 79 -5.469 -6.955 -27.266 1.00 55.01 S ATOM 1223 CE MET A 79 -5.388 -6.104 -25.692 1.00 55.54 C ATOM 0 H MET A 79 -6.852 -11.298 -28.698 1.00 51.04 H new ATOM 0 HA MET A 79 -4.111 -10.425 -28.437 1.00 45.41 H new ATOM 0 HB2 MET A 79 -6.260 -9.419 -26.653 1.00 61.23 H new ATOM 0 HB3 MET A 79 -4.897 -10.133 -25.814 1.00 61.23 H new ATOM 0 HG2 MET A 79 -3.818 -8.186 -26.044 1.00 71.24 H new ATOM 0 HG3 MET A 79 -3.713 -8.504 -27.764 1.00 71.24 H new ATOM 0 HE1 MET A 79 -5.413 -5.027 -25.859 1.00 55.54 H new ATOM 0 HE2 MET A 79 -6.239 -6.396 -25.076 1.00 55.54 H new ATOM 0 HE3 MET A 79 -4.463 -6.370 -25.182 1.00 55.54 H new ATOM 1233 N HIS A 80 -3.657 -12.546 -27.200 1.00 44.31 N ATOM 1234 CA HIS A 80 -3.397 -13.881 -26.675 1.00 22.50 C ATOM 1235 C HIS A 80 -3.942 -14.023 -25.257 1.00 24.21 C ATOM 1236 O HIS A 80 -3.729 -13.155 -24.410 1.00 41.45 O ATOM 1237 CB HIS A 80 -1.896 -14.175 -26.689 1.00 13.10 C ATOM 1238 CG HIS A 80 -1.300 -14.182 -28.063 1.00 11.11 C ATOM 1239 ND1 HIS A 80 0.026 -14.472 -28.307 1.00 34.44 N ATOM 1240 CD2 HIS A 80 -1.858 -13.933 -29.271 1.00 65.31 C ATOM 1241 CE1 HIS A 80 0.258 -14.401 -29.605 1.00 43.50 C ATOM 1242 NE2 HIS A 80 -0.868 -14.075 -30.213 1.00 33.51 N ATOM 0 H HIS A 80 -2.819 -12.021 -27.450 1.00 44.31 H new ATOM 0 HA HIS A 80 -3.906 -14.601 -27.315 1.00 22.50 H new ATOM 0 HB2 HIS A 80 -1.382 -13.429 -26.083 1.00 13.10 H new ATOM 0 HB3 HIS A 80 -1.719 -15.143 -26.220 1.00 13.10 H new ATOM 0 HD2 HIS A 80 -2.889 -13.672 -29.459 1.00 65.31 H new ATOM 0 HE1 HIS A 80 1.208 -14.579 -30.088 1.00 43.50 H new ATOM 0 HE2 HIS A 80 -0.984 -13.949 -31.219 1.00 33.51 H new ATOM 1250 N ILE A 81 -4.645 -15.122 -25.006 1.00 31.13 N ATOM 1251 CA ILE A 81 -5.220 -15.377 -23.691 1.00 3.34 C ATOM 1252 C ILE A 81 -5.407 -16.871 -23.453 1.00 35.23 C ATOM 1253 O ILE A 81 -5.395 -17.668 -24.392 1.00 2.31 O ATOM 1254 CB ILE A 81 -6.576 -14.667 -23.522 1.00 31.01 C ATOM 1255 CG1 ILE A 81 -7.628 -15.309 -24.429 1.00 13.43 C ATOM 1256 CG2 ILE A 81 -6.439 -13.183 -23.828 1.00 30.02 C ATOM 1257 CD1 ILE A 81 -7.557 -14.837 -25.864 1.00 55.31 C ATOM 0 H ILE A 81 -4.830 -15.850 -25.696 1.00 31.13 H new ATOM 0 HA ILE A 81 -4.518 -14.980 -22.957 1.00 3.34 H new ATOM 0 HB ILE A 81 -6.900 -14.776 -22.487 1.00 31.01 H new ATOM 0 HG12 ILE A 81 -7.505 -16.392 -24.405 1.00 13.43 H new ATOM 0 HG13 ILE A 81 -8.620 -15.092 -24.032 1.00 13.43 H new ATOM 0 HG21 ILE A 81 -7.406 -12.695 -23.704 1.00 30.02 H new ATOM 0 HG22 ILE A 81 -5.717 -12.736 -23.145 1.00 30.02 H new ATOM 0 HG23 ILE A 81 -6.096 -13.053 -24.854 1.00 30.02 H new ATOM 0 HD11 ILE A 81 -8.331 -15.333 -26.449 1.00 55.31 H new ATOM 0 HD12 ILE A 81 -7.710 -13.758 -25.900 1.00 55.31 H new ATOM 0 HD13 ILE A 81 -6.578 -15.079 -26.279 1.00 55.31 H new ATOM 1269 N THR A 82 -5.584 -17.246 -22.189 1.00 63.34 N ATOM 1270 CA THR A 82 -5.775 -18.645 -21.827 1.00 52.11 C ATOM 1271 C THR A 82 -7.097 -18.847 -21.096 1.00 34.31 C ATOM 1272 O THR A 82 -7.213 -18.546 -19.908 1.00 12.51 O ATOM 1273 CB THR A 82 -4.626 -19.157 -20.938 1.00 73.43 C ATOM 1274 OG1 THR A 82 -3.423 -19.266 -21.707 1.00 52.01 O ATOM 1275 CG2 THR A 82 -4.972 -20.510 -20.334 1.00 23.10 C ATOM 0 H THR A 82 -5.599 -16.600 -21.400 1.00 63.34 H new ATOM 0 HA THR A 82 -5.786 -19.214 -22.757 1.00 52.11 H new ATOM 0 HB THR A 82 -4.476 -18.443 -20.129 1.00 73.43 H new ATOM 0 HG1 THR A 82 -2.797 -18.562 -21.437 1.00 52.01 H new ATOM 0 HG21 THR A 82 -4.146 -20.852 -19.710 1.00 23.10 H new ATOM 0 HG22 THR A 82 -5.872 -20.418 -19.726 1.00 23.10 H new ATOM 0 HG23 THR A 82 -5.146 -21.231 -21.133 1.00 23.10 H new ATOM 1283 N ASP A 83 -8.092 -19.360 -21.812 1.00 64.31 N ATOM 1284 CA ASP A 83 -9.406 -19.605 -21.230 1.00 52.02 C ATOM 1285 C ASP A 83 -9.311 -20.585 -20.065 1.00 3.54 C ATOM 1286 O ASP A 83 -8.888 -21.729 -20.234 1.00 41.51 O ATOM 1287 CB ASP A 83 -10.364 -20.148 -22.292 1.00 14.24 C ATOM 1288 CG ASP A 83 -11.722 -19.474 -22.245 1.00 22.32 C ATOM 1289 OD1 ASP A 83 -11.764 -18.229 -22.155 1.00 71.21 O ATOM 1290 OD2 ASP A 83 -12.742 -20.192 -22.299 1.00 20.22 O ATOM 0 H ASP A 83 -8.013 -19.614 -22.797 1.00 64.31 H new ATOM 0 HA ASP A 83 -9.791 -18.658 -20.853 1.00 52.02 H new ATOM 0 HB2 ASP A 83 -9.925 -20.006 -23.280 1.00 14.24 H new ATOM 0 HB3 ASP A 83 -10.489 -21.221 -22.150 1.00 14.24 H new ATOM 1295 N CYS A 84 -9.705 -20.128 -18.881 1.00 14.22 N ATOM 1296 CA CYS A 84 -9.663 -20.962 -17.686 1.00 74.20 C ATOM 1297 C CYS A 84 -11.056 -21.119 -17.083 1.00 12.44 C ATOM 1298 O CYS A 84 -11.558 -20.217 -16.411 1.00 41.22 O ATOM 1299 CB CYS A 84 -8.712 -20.359 -16.651 1.00 22.33 C ATOM 1300 SG CYS A 84 -6.966 -20.336 -17.170 1.00 41.23 S ATOM 0 H CYS A 84 -10.057 -19.184 -18.724 1.00 14.22 H new ATOM 0 HA CYS A 84 -9.298 -21.948 -17.974 1.00 74.20 H new ATOM 0 HB2 CYS A 84 -9.029 -19.339 -16.433 1.00 22.33 H new ATOM 0 HB3 CYS A 84 -8.797 -20.924 -15.723 1.00 22.33 H new ATOM 1305 N ARG A 85 -11.675 -22.269 -17.327 1.00 21.25 N ATOM 1306 CA ARG A 85 -13.010 -22.544 -16.809 1.00 3.25 C ATOM 1307 C ARG A 85 -13.060 -23.911 -16.134 1.00 33.52 C ATOM 1308 O ARG A 85 -12.422 -24.863 -16.586 1.00 52.02 O ATOM 1309 CB ARG A 85 -14.041 -22.482 -17.937 1.00 43.50 C ATOM 1310 CG ARG A 85 -15.434 -22.917 -17.514 1.00 20.32 C ATOM 1311 CD ARG A 85 -16.216 -23.494 -18.683 1.00 74.32 C ATOM 1312 NE ARG A 85 -17.301 -24.366 -18.239 1.00 52.52 N ATOM 1313 CZ ARG A 85 -18.504 -23.922 -17.892 1.00 33.32 C ATOM 1314 NH1 ARG A 85 -18.775 -22.625 -17.937 1.00 72.33 N ATOM 1315 NH2 ARG A 85 -19.440 -24.777 -17.498 1.00 65.55 N ATOM 0 H ARG A 85 -11.273 -23.026 -17.880 1.00 21.25 H new ATOM 0 HA ARG A 85 -13.248 -21.782 -16.067 1.00 3.25 H new ATOM 0 HB2 ARG A 85 -14.088 -21.462 -18.319 1.00 43.50 H new ATOM 0 HB3 ARG A 85 -13.706 -23.115 -18.759 1.00 43.50 H new ATOM 0 HG2 ARG A 85 -15.359 -23.662 -16.722 1.00 20.32 H new ATOM 0 HG3 ARG A 85 -15.973 -22.065 -17.100 1.00 20.32 H new ATOM 0 HD2 ARG A 85 -16.626 -22.681 -19.281 1.00 74.32 H new ATOM 0 HD3 ARG A 85 -15.541 -24.055 -19.329 1.00 74.32 H new ATOM 0 HE ARG A 85 -17.125 -25.370 -18.193 1.00 52.52 H new ATOM 0 HH11 ARG A 85 -18.059 -21.965 -18.239 1.00 72.33 H new ATOM 0 HH12 ARG A 85 -19.700 -22.288 -17.670 1.00 72.33 H new ATOM 0 HH21 ARG A 85 -19.236 -25.776 -17.462 1.00 65.55 H new ATOM 0 HH22 ARG A 85 -20.363 -24.435 -17.232 1.00 65.55 H new ATOM 1329 N LEU A 86 -13.822 -24.002 -15.049 1.00 72.44 N ATOM 1330 CA LEU A 86 -13.956 -25.254 -14.311 1.00 53.43 C ATOM 1331 C LEU A 86 -14.361 -26.393 -15.241 1.00 20.44 C ATOM 1332 O LEU A 86 -15.427 -26.359 -15.857 1.00 1.15 O ATOM 1333 CB LEU A 86 -14.989 -25.101 -13.193 1.00 51.22 C ATOM 1334 CG LEU A 86 -14.429 -24.897 -11.785 1.00 63.41 C ATOM 1335 CD1 LEU A 86 -15.558 -24.786 -10.772 1.00 63.42 C ATOM 1336 CD2 LEU A 86 -13.488 -26.035 -11.416 1.00 33.42 C ATOM 0 H LEU A 86 -14.356 -23.224 -14.661 1.00 72.44 H new ATOM 0 HA LEU A 86 -12.988 -25.495 -13.872 1.00 53.43 H new ATOM 0 HB2 LEU A 86 -15.632 -24.254 -13.433 1.00 51.22 H new ATOM 0 HB3 LEU A 86 -15.621 -25.989 -13.186 1.00 51.22 H new ATOM 0 HG LEU A 86 -13.864 -23.965 -11.771 1.00 63.41 H new ATOM 0 HD11 LEU A 86 -15.140 -24.641 -9.776 1.00 63.42 H new ATOM 0 HD12 LEU A 86 -16.193 -23.937 -11.026 1.00 63.42 H new ATOM 0 HD13 LEU A 86 -16.152 -25.700 -10.787 1.00 63.42 H new ATOM 0 HD21 LEU A 86 -13.099 -25.874 -10.411 1.00 33.42 H new ATOM 0 HD22 LEU A 86 -14.030 -26.980 -11.448 1.00 33.42 H new ATOM 0 HD23 LEU A 86 -12.661 -26.067 -12.125 1.00 33.42 H new ATOM 1348 N THR A 87 -13.504 -27.405 -15.336 1.00 62.11 N ATOM 1349 CA THR A 87 -13.772 -28.556 -16.189 1.00 21.11 C ATOM 1350 C THR A 87 -14.330 -29.721 -15.380 1.00 74.42 C ATOM 1351 O THR A 87 -13.926 -29.949 -14.241 1.00 1.41 O ATOM 1352 CB THR A 87 -12.500 -29.019 -16.924 1.00 22.21 C ATOM 1353 OG1 THR A 87 -12.843 -29.943 -17.963 1.00 31.13 O ATOM 1354 CG2 THR A 87 -11.525 -29.674 -15.958 1.00 24.35 C ATOM 0 H THR A 87 -12.618 -27.451 -14.832 1.00 62.11 H new ATOM 0 HA THR A 87 -14.512 -28.239 -16.924 1.00 21.11 H new ATOM 0 HB THR A 87 -12.021 -28.143 -17.361 1.00 22.21 H new ATOM 0 HG1 THR A 87 -12.027 -30.352 -18.320 1.00 31.13 H new ATOM 0 HG21 THR A 87 -10.635 -29.993 -16.500 1.00 24.35 H new ATOM 0 HG22 THR A 87 -11.243 -28.959 -15.185 1.00 24.35 H new ATOM 0 HG23 THR A 87 -11.998 -30.540 -15.496 1.00 24.35 H new ATOM 1362 N ASN A 88 -15.262 -30.458 -15.978 1.00 0.55 N ATOM 1363 CA ASN A 88 -15.876 -31.601 -15.312 1.00 11.53 C ATOM 1364 C ASN A 88 -16.686 -31.153 -14.099 1.00 11.22 C ATOM 1365 O ASN A 88 -16.728 -31.840 -13.079 1.00 43.30 O ATOM 1366 CB ASN A 88 -14.804 -32.603 -14.881 1.00 24.10 C ATOM 1367 CG ASN A 88 -14.595 -33.702 -15.905 1.00 33.33 C ATOM 1368 OD1 ASN A 88 -15.263 -34.736 -15.867 1.00 1.04 O ATOM 1369 ND2 ASN A 88 -13.665 -33.483 -16.827 1.00 21.44 N ATOM 0 H ASN A 88 -15.608 -30.284 -16.922 1.00 0.55 H new ATOM 0 HA ASN A 88 -16.551 -32.083 -16.020 1.00 11.53 H new ATOM 0 HB2 ASN A 88 -13.863 -32.077 -14.719 1.00 24.10 H new ATOM 0 HB3 ASN A 88 -15.089 -33.048 -13.927 1.00 24.10 H new ATOM 0 HD21 ASN A 88 -13.480 -34.186 -17.542 1.00 21.44 H new ATOM 0 HD22 ASN A 88 -13.135 -32.611 -16.820 1.00 21.44 H new ATOM 1376 N GLY A 89 -17.330 -29.995 -14.218 1.00 23.40 N ATOM 1377 CA GLY A 89 -18.130 -29.476 -13.125 1.00 12.32 C ATOM 1378 C GLY A 89 -17.391 -29.501 -11.802 1.00 2.32 C ATOM 1379 O GLY A 89 -18.009 -29.518 -10.738 1.00 11.35 O ATOM 0 H GLY A 89 -17.311 -29.408 -15.052 1.00 23.40 H new ATOM 0 HA2 GLY A 89 -18.428 -28.452 -13.352 1.00 12.32 H new ATOM 0 HA3 GLY A 89 -19.044 -30.063 -13.038 1.00 12.32 H new ATOM 1383 N SER A 90 -16.063 -29.505 -11.868 1.00 12.54 N ATOM 1384 CA SER A 90 -15.238 -29.533 -10.665 1.00 74.34 C ATOM 1385 C SER A 90 -15.632 -28.412 -9.709 1.00 54.42 C ATOM 1386 O SER A 90 -15.832 -27.270 -10.123 1.00 43.54 O ATOM 1387 CB SER A 90 -13.759 -29.409 -11.034 1.00 3.25 C ATOM 1388 OG SER A 90 -13.201 -30.675 -11.338 1.00 25.31 O ATOM 0 H SER A 90 -15.536 -29.489 -12.741 1.00 12.54 H new ATOM 0 HA SER A 90 -15.402 -30.487 -10.164 1.00 74.34 H new ATOM 0 HB2 SER A 90 -13.649 -28.745 -11.891 1.00 3.25 H new ATOM 0 HB3 SER A 90 -13.212 -28.956 -10.207 1.00 3.25 H new ATOM 0 HG SER A 90 -13.182 -30.799 -12.310 1.00 25.31 H new ATOM 1394 N ARG A 91 -15.743 -28.746 -8.428 1.00 22.51 N ATOM 1395 CA ARG A 91 -16.114 -27.769 -7.412 1.00 11.10 C ATOM 1396 C ARG A 91 -15.149 -27.818 -6.231 1.00 62.43 C ATOM 1397 O ARG A 91 -14.432 -28.802 -6.043 1.00 41.42 O ATOM 1398 CB ARG A 91 -17.543 -28.023 -6.927 1.00 43.25 C ATOM 1399 CG ARG A 91 -18.173 -26.826 -6.234 1.00 45.32 C ATOM 1400 CD ARG A 91 -18.329 -25.650 -7.186 1.00 15.13 C ATOM 1401 NE ARG A 91 -19.407 -24.754 -6.775 1.00 53.15 N ATOM 1402 CZ ARG A 91 -20.057 -23.954 -7.614 1.00 32.24 C ATOM 1403 NH1 ARG A 91 -19.740 -23.939 -8.901 1.00 75.30 N ATOM 1404 NH2 ARG A 91 -21.027 -23.167 -7.165 1.00 22.45 N ATOM 0 H ARG A 91 -15.581 -29.687 -8.069 1.00 22.51 H new ATOM 0 HA ARG A 91 -16.060 -26.778 -7.862 1.00 11.10 H new ATOM 0 HB2 ARG A 91 -18.162 -28.306 -7.779 1.00 43.25 H new ATOM 0 HB3 ARG A 91 -17.539 -28.869 -6.240 1.00 43.25 H new ATOM 0 HG2 ARG A 91 -19.149 -27.106 -5.837 1.00 45.32 H new ATOM 0 HG3 ARG A 91 -17.557 -26.529 -5.385 1.00 45.32 H new ATOM 0 HD2 ARG A 91 -17.393 -25.094 -7.232 1.00 15.13 H new ATOM 0 HD3 ARG A 91 -18.529 -26.021 -8.191 1.00 15.13 H new ATOM 0 HE ARG A 91 -19.675 -24.742 -5.791 1.00 53.15 H new ATOM 0 HH11 ARG A 91 -18.995 -24.543 -9.250 1.00 75.30 H new ATOM 0 HH12 ARG A 91 -20.241 -23.324 -9.542 1.00 75.30 H new ATOM 0 HH21 ARG A 91 -21.274 -23.176 -6.175 1.00 22.45 H new ATOM 0 HH22 ARG A 91 -21.525 -22.553 -7.810 1.00 22.45 H new ATOM 1418 N TYR A 92 -15.136 -26.752 -5.440 1.00 3.14 N ATOM 1419 CA TYR A 92 -14.257 -26.672 -4.279 1.00 64.21 C ATOM 1420 C TYR A 92 -14.413 -27.903 -3.392 1.00 22.42 C ATOM 1421 O TYR A 92 -15.517 -28.392 -3.153 1.00 32.23 O ATOM 1422 CB TYR A 92 -14.555 -25.407 -3.473 1.00 34.34 C ATOM 1423 CG TYR A 92 -13.580 -25.165 -2.343 1.00 33.34 C ATOM 1424 CD1 TYR A 92 -13.480 -26.058 -1.283 1.00 22.14 C ATOM 1425 CD2 TYR A 92 -12.761 -24.044 -2.334 1.00 45.42 C ATOM 1426 CE1 TYR A 92 -12.591 -25.841 -0.248 1.00 1.14 C ATOM 1427 CE2 TYR A 92 -11.868 -23.819 -1.304 1.00 62.12 C ATOM 1428 CZ TYR A 92 -11.787 -24.720 -0.263 1.00 62.32 C ATOM 1429 OH TYR A 92 -10.900 -24.499 0.765 1.00 22.54 O ATOM 0 H TYR A 92 -15.724 -25.931 -5.581 1.00 3.14 H new ATOM 0 HA TYR A 92 -13.228 -26.632 -4.636 1.00 64.21 H new ATOM 0 HB2 TYR A 92 -14.542 -24.548 -4.143 1.00 34.34 H new ATOM 0 HB3 TYR A 92 -15.563 -25.476 -3.064 1.00 34.34 H new ATOM 0 HD1 TYR A 92 -14.108 -26.937 -1.268 1.00 22.14 H new ATOM 0 HD2 TYR A 92 -12.823 -23.335 -3.147 1.00 45.42 H new ATOM 0 HE1 TYR A 92 -12.526 -26.545 0.568 1.00 1.14 H new ATOM 0 HE2 TYR A 92 -11.237 -22.943 -1.314 1.00 62.12 H new ATOM 0 HH TYR A 92 -10.410 -23.667 0.601 1.00 22.54 H new ATOM 1439 N PRO A 93 -13.280 -28.418 -2.890 1.00 41.54 N ATOM 1440 CA PRO A 93 -11.960 -27.845 -3.168 1.00 44.54 C ATOM 1441 C PRO A 93 -11.530 -28.055 -4.616 1.00 44.42 C ATOM 1442 O PRO A 93 -10.660 -27.348 -5.124 1.00 0.01 O ATOM 1443 CB PRO A 93 -11.034 -28.610 -2.219 1.00 41.43 C ATOM 1444 CG PRO A 93 -11.729 -29.904 -1.974 1.00 60.30 C ATOM 1445 CD PRO A 93 -13.201 -29.598 -2.014 1.00 23.11 C ATOM 0 HA PRO A 93 -11.946 -26.765 -3.021 1.00 44.54 H new ATOM 0 HB2 PRO A 93 -10.052 -28.766 -2.665 1.00 41.43 H new ATOM 0 HB3 PRO A 93 -10.879 -28.062 -1.290 1.00 41.43 H new ATOM 0 HG2 PRO A 93 -11.463 -30.640 -2.733 1.00 60.30 H new ATOM 0 HG3 PRO A 93 -11.444 -30.324 -1.009 1.00 60.30 H new ATOM 0 HD2 PRO A 93 -13.775 -30.434 -2.414 1.00 23.11 H new ATOM 0 HD3 PRO A 93 -13.595 -29.387 -1.020 1.00 23.11 H new ATOM 1453 N ASN A 94 -12.145 -29.030 -5.276 1.00 33.41 N ATOM 1454 CA ASN A 94 -11.826 -29.333 -6.666 1.00 64.32 C ATOM 1455 C ASN A 94 -11.995 -28.098 -7.545 1.00 13.20 C ATOM 1456 O ASN A 94 -13.110 -27.619 -7.753 1.00 14.40 O ATOM 1457 CB ASN A 94 -12.717 -30.466 -7.181 1.00 44.52 C ATOM 1458 CG ASN A 94 -13.258 -31.331 -6.060 1.00 23.13 C ATOM 1459 OD1 ASN A 94 -14.396 -31.160 -5.623 1.00 21.43 O ATOM 1460 ND2 ASN A 94 -12.442 -32.267 -5.588 1.00 45.51 N ATOM 0 H ASN A 94 -12.868 -29.624 -4.870 1.00 33.41 H new ATOM 0 HA ASN A 94 -10.784 -29.650 -6.712 1.00 64.32 H new ATOM 0 HB2 ASN A 94 -13.549 -30.043 -7.744 1.00 44.52 H new ATOM 0 HB3 ASN A 94 -12.147 -31.087 -7.873 1.00 44.52 H new ATOM 0 HD21 ASN A 94 -12.751 -32.880 -4.833 1.00 45.51 H new ATOM 0 HD22 ASN A 94 -11.507 -32.373 -5.980 1.00 45.51 H new ATOM 1467 N CYS A 95 -10.882 -27.587 -8.059 1.00 44.31 N ATOM 1468 CA CYS A 95 -10.905 -26.407 -8.916 1.00 33.41 C ATOM 1469 C CYS A 95 -10.377 -26.737 -10.309 1.00 50.51 C ATOM 1470 O CYS A 95 -10.007 -25.844 -11.071 1.00 4.44 O ATOM 1471 CB CYS A 95 -10.073 -25.284 -8.295 1.00 50.42 C ATOM 1472 SG CYS A 95 -11.053 -24.055 -7.374 1.00 4.22 S ATOM 0 H CYS A 95 -9.951 -27.972 -7.897 1.00 44.31 H new ATOM 0 HA CYS A 95 -11.939 -26.075 -9.008 1.00 33.41 H new ATOM 0 HB2 CYS A 95 -9.335 -25.722 -7.623 1.00 50.42 H new ATOM 0 HB3 CYS A 95 -9.522 -24.775 -9.086 1.00 50.42 H new ATOM 1477 N ALA A 96 -10.346 -28.025 -10.635 1.00 41.40 N ATOM 1478 CA ALA A 96 -9.866 -28.472 -11.937 1.00 3.15 C ATOM 1479 C ALA A 96 -10.462 -27.631 -13.060 1.00 62.03 C ATOM 1480 O ALA A 96 -11.616 -27.820 -13.445 1.00 31.10 O ATOM 1481 CB ALA A 96 -10.195 -29.943 -12.144 1.00 11.24 C ATOM 0 H ALA A 96 -10.648 -28.777 -10.016 1.00 41.40 H new ATOM 0 HA ALA A 96 -8.783 -28.347 -11.960 1.00 3.15 H new ATOM 0 HB1 ALA A 96 -9.831 -30.263 -13.120 1.00 11.24 H new ATOM 0 HB2 ALA A 96 -9.716 -30.536 -11.365 1.00 11.24 H new ATOM 0 HB3 ALA A 96 -11.275 -30.085 -12.095 1.00 11.24 H new ATOM 1487 N TYR A 97 -9.669 -26.702 -13.582 1.00 64.24 N ATOM 1488 CA TYR A 97 -10.119 -25.830 -14.660 1.00 75.03 C ATOM 1489 C TYR A 97 -9.768 -26.421 -16.022 1.00 74.13 C ATOM 1490 O TYR A 97 -9.166 -27.491 -16.110 1.00 71.24 O ATOM 1491 CB TYR A 97 -9.493 -24.442 -14.517 1.00 62.05 C ATOM 1492 CG TYR A 97 -9.736 -23.804 -13.168 1.00 43.14 C ATOM 1493 CD1 TYR A 97 -11.012 -23.756 -12.620 1.00 62.14 C ATOM 1494 CD2 TYR A 97 -8.690 -23.248 -12.442 1.00 62.11 C ATOM 1495 CE1 TYR A 97 -11.239 -23.174 -11.388 1.00 43.55 C ATOM 1496 CE2 TYR A 97 -8.907 -22.665 -11.209 1.00 12.01 C ATOM 1497 CZ TYR A 97 -10.183 -22.630 -10.686 1.00 53.14 C ATOM 1498 OH TYR A 97 -10.404 -22.049 -9.459 1.00 12.51 O ATOM 0 H TYR A 97 -8.711 -26.533 -13.276 1.00 64.24 H new ATOM 0 HA TYR A 97 -11.203 -25.741 -14.592 1.00 75.03 H new ATOM 0 HB2 TYR A 97 -8.419 -24.518 -14.685 1.00 62.05 H new ATOM 0 HB3 TYR A 97 -9.892 -23.791 -15.295 1.00 62.05 H new ATOM 0 HD1 TYR A 97 -11.841 -24.181 -13.167 1.00 62.14 H new ATOM 0 HD2 TYR A 97 -7.690 -23.272 -12.849 1.00 62.11 H new ATOM 0 HE1 TYR A 97 -12.237 -23.145 -10.977 1.00 43.55 H new ATOM 0 HE2 TYR A 97 -8.082 -22.239 -10.657 1.00 12.01 H new ATOM 0 HH TYR A 97 -10.954 -22.645 -8.909 1.00 12.51 H new ATOM 1508 N ARG A 98 -10.149 -25.715 -17.082 1.00 71.41 N ATOM 1509 CA ARG A 98 -9.876 -26.169 -18.440 1.00 62.14 C ATOM 1510 C ARG A 98 -9.071 -25.126 -19.210 1.00 61.24 C ATOM 1511 O ARG A 98 -9.615 -24.123 -19.674 1.00 71.51 O ATOM 1512 CB ARG A 98 -11.185 -26.464 -19.176 1.00 4.53 C ATOM 1513 CG ARG A 98 -11.281 -27.886 -19.701 1.00 71.34 C ATOM 1514 CD ARG A 98 -10.550 -28.042 -21.026 1.00 0.33 C ATOM 1515 NE ARG A 98 -11.467 -28.316 -22.129 1.00 13.34 N ATOM 1516 CZ ARG A 98 -11.124 -28.231 -23.409 1.00 5.22 C ATOM 1517 NH1 ARG A 98 -9.890 -27.882 -23.746 1.00 5.14 N ATOM 1518 NH2 ARG A 98 -12.015 -28.496 -24.355 1.00 41.14 N ATOM 0 H ARG A 98 -10.647 -24.827 -17.026 1.00 71.41 H new ATOM 0 HA ARG A 98 -9.288 -27.085 -18.379 1.00 62.14 H new ATOM 0 HB2 ARG A 98 -12.021 -26.277 -18.502 1.00 4.53 H new ATOM 0 HB3 ARG A 98 -11.287 -25.770 -20.010 1.00 4.53 H new ATOM 0 HG2 ARG A 98 -10.860 -28.575 -18.969 1.00 71.34 H new ATOM 0 HG3 ARG A 98 -12.329 -28.158 -19.828 1.00 71.34 H new ATOM 0 HD2 ARG A 98 -9.988 -27.133 -21.239 1.00 0.33 H new ATOM 0 HD3 ARG A 98 -9.826 -28.853 -20.947 1.00 0.33 H new ATOM 0 HE ARG A 98 -12.424 -28.588 -21.904 1.00 13.34 H new ATOM 0 HH11 ARG A 98 -9.202 -27.678 -23.021 1.00 5.14 H new ATOM 0 HH12 ARG A 98 -9.629 -27.817 -24.730 1.00 5.14 H new ATOM 0 HH21 ARG A 98 -12.965 -28.765 -24.100 1.00 41.14 H new ATOM 0 HH22 ARG A 98 -11.750 -28.430 -25.338 1.00 41.14 H new ATOM 1532 N THR A 99 -7.770 -25.369 -19.343 1.00 15.14 N ATOM 1533 CA THR A 99 -6.890 -24.451 -20.054 1.00 51.11 C ATOM 1534 C THR A 99 -7.138 -24.505 -21.557 1.00 54.12 C ATOM 1535 O THR A 99 -6.849 -25.509 -22.208 1.00 54.10 O ATOM 1536 CB THR A 99 -5.408 -24.767 -19.778 1.00 41.15 C ATOM 1537 OG1 THR A 99 -5.228 -25.106 -18.399 1.00 64.41 O ATOM 1538 CG2 THR A 99 -4.526 -23.579 -20.133 1.00 14.10 C ATOM 0 H THR A 99 -7.303 -26.194 -18.967 1.00 15.14 H new ATOM 0 HA THR A 99 -7.115 -23.449 -19.687 1.00 51.11 H new ATOM 0 HB THR A 99 -5.118 -25.613 -20.400 1.00 41.15 H new ATOM 0 HG1 THR A 99 -4.400 -25.620 -18.294 1.00 64.41 H new ATOM 0 HG21 THR A 99 -3.484 -23.826 -19.930 1.00 14.10 H new ATOM 0 HG22 THR A 99 -4.643 -23.342 -21.190 1.00 14.10 H new ATOM 0 HG23 THR A 99 -4.818 -22.717 -19.534 1.00 14.10 H new ATOM 1546 N SER A 100 -7.675 -23.418 -22.103 1.00 71.30 N ATOM 1547 CA SER A 100 -7.965 -23.343 -23.530 1.00 72.41 C ATOM 1548 C SER A 100 -7.140 -22.246 -24.195 1.00 52.23 C ATOM 1549 O SER A 100 -7.466 -21.060 -24.125 1.00 63.54 O ATOM 1550 CB SER A 100 -9.456 -23.085 -23.756 1.00 40.52 C ATOM 1551 OG SER A 100 -10.049 -24.134 -24.502 1.00 4.05 O ATOM 0 H SER A 100 -7.918 -22.578 -21.579 1.00 71.30 H new ATOM 0 HA SER A 100 -7.697 -24.298 -23.981 1.00 72.41 H new ATOM 0 HB2 SER A 100 -9.961 -22.988 -22.795 1.00 40.52 H new ATOM 0 HB3 SER A 100 -9.589 -22.140 -24.283 1.00 40.52 H new ATOM 0 HG SER A 100 -11.002 -23.946 -24.631 1.00 4.05 H new ATOM 1557 N PRO A 101 -6.045 -22.649 -24.857 1.00 12.41 N ATOM 1558 CA PRO A 101 -5.150 -21.716 -25.548 1.00 53.13 C ATOM 1559 C PRO A 101 -5.795 -21.106 -26.788 1.00 44.33 C ATOM 1560 O PRO A 101 -6.223 -21.821 -27.694 1.00 64.14 O ATOM 1561 CB PRO A 101 -3.959 -22.593 -25.941 1.00 41.14 C ATOM 1562 CG PRO A 101 -4.515 -23.973 -26.023 1.00 41.43 C ATOM 1563 CD PRO A 101 -5.597 -24.046 -24.981 1.00 43.45 C ATOM 0 HA PRO A 101 -4.882 -20.866 -24.920 1.00 53.13 H new ATOM 0 HB2 PRO A 101 -3.535 -22.280 -26.895 1.00 41.14 H new ATOM 0 HB3 PRO A 101 -3.161 -22.531 -25.201 1.00 41.14 H new ATOM 0 HG2 PRO A 101 -4.916 -24.174 -27.017 1.00 41.43 H new ATOM 0 HG3 PRO A 101 -3.741 -24.717 -25.835 1.00 41.43 H new ATOM 0 HD2 PRO A 101 -6.410 -24.703 -25.291 1.00 43.45 H new ATOM 0 HD3 PRO A 101 -5.218 -24.432 -24.035 1.00 43.45 H new ATOM 1571 N LYS A 102 -5.861 -19.779 -26.823 1.00 64.12 N ATOM 1572 CA LYS A 102 -6.451 -19.071 -27.953 1.00 31.32 C ATOM 1573 C LYS A 102 -6.144 -17.579 -27.881 1.00 25.01 C ATOM 1574 O LYS A 102 -5.793 -17.059 -26.822 1.00 71.31 O ATOM 1575 CB LYS A 102 -7.966 -19.290 -27.983 1.00 5.22 C ATOM 1576 CG LYS A 102 -8.461 -19.938 -29.264 1.00 14.21 C ATOM 1577 CD LYS A 102 -9.364 -21.126 -28.975 1.00 4.21 C ATOM 1578 CE LYS A 102 -8.657 -22.443 -29.255 1.00 30.35 C ATOM 1579 NZ LYS A 102 -9.158 -23.088 -30.500 1.00 32.12 N ATOM 0 H LYS A 102 -5.513 -19.172 -26.081 1.00 64.12 H new ATOM 0 HA LYS A 102 -6.014 -19.470 -28.868 1.00 31.32 H new ATOM 0 HB2 LYS A 102 -8.251 -19.914 -27.136 1.00 5.22 H new ATOM 0 HB3 LYS A 102 -8.466 -18.330 -27.854 1.00 5.22 H new ATOM 0 HG2 LYS A 102 -9.004 -19.203 -29.858 1.00 14.21 H new ATOM 0 HG3 LYS A 102 -7.609 -20.264 -29.861 1.00 14.21 H new ATOM 0 HD2 LYS A 102 -9.683 -21.097 -27.933 1.00 4.21 H new ATOM 0 HD3 LYS A 102 -10.264 -21.058 -29.586 1.00 4.21 H new ATOM 0 HE2 LYS A 102 -7.585 -22.268 -29.343 1.00 30.35 H new ATOM 0 HE3 LYS A 102 -8.802 -23.119 -28.412 1.00 30.35 H new ATOM 0 HZ1 LYS A 102 -8.651 -23.983 -30.656 1.00 32.12 H new ATOM 0 HZ2 LYS A 102 -10.176 -23.278 -30.407 1.00 32.12 H new ATOM 0 HZ3 LYS A 102 -8.997 -22.454 -31.308 1.00 32.12 H new ATOM 1593 N GLU A 103 -6.279 -16.896 -29.014 1.00 25.25 N ATOM 1594 CA GLU A 103 -6.015 -15.463 -29.077 1.00 32.41 C ATOM 1595 C GLU A 103 -7.199 -14.719 -29.688 1.00 61.24 C ATOM 1596 O GLU A 103 -7.492 -14.867 -30.875 1.00 15.32 O ATOM 1597 CB GLU A 103 -4.750 -15.190 -29.893 1.00 72.44 C ATOM 1598 CG GLU A 103 -4.662 -16.008 -31.171 1.00 31.20 C ATOM 1599 CD GLU A 103 -3.532 -15.557 -32.076 1.00 21.04 C ATOM 1600 OE1 GLU A 103 -3.558 -14.392 -32.523 1.00 12.52 O ATOM 1601 OE2 GLU A 103 -2.621 -16.370 -32.336 1.00 24.41 O ATOM 0 H GLU A 103 -6.569 -17.311 -29.899 1.00 25.25 H new ATOM 0 HA GLU A 103 -5.866 -15.101 -28.060 1.00 32.41 H new ATOM 0 HB2 GLU A 103 -4.713 -14.131 -30.146 1.00 72.44 H new ATOM 0 HB3 GLU A 103 -3.877 -15.401 -29.276 1.00 72.44 H new ATOM 0 HG2 GLU A 103 -4.521 -17.059 -30.917 1.00 31.20 H new ATOM 0 HG3 GLU A 103 -5.606 -15.934 -31.711 1.00 31.20 H new ATOM 1608 N ARG A 104 -7.875 -13.920 -28.869 1.00 62.23 N ATOM 1609 CA ARG A 104 -9.027 -13.154 -29.328 1.00 73.21 C ATOM 1610 C ARG A 104 -9.275 -11.950 -28.424 1.00 30.43 C ATOM 1611 O ARG A 104 -8.697 -11.844 -27.341 1.00 74.53 O ATOM 1612 CB ARG A 104 -10.273 -14.041 -29.367 1.00 72.03 C ATOM 1613 CG ARG A 104 -10.977 -14.043 -30.714 1.00 71.14 C ATOM 1614 CD ARG A 104 -11.580 -15.404 -31.026 1.00 12.03 C ATOM 1615 NE ARG A 104 -10.557 -16.435 -31.173 1.00 61.42 N ATOM 1616 CZ ARG A 104 -10.733 -17.550 -31.874 1.00 24.22 C ATOM 1617 NH1 ARG A 104 -11.886 -17.776 -32.488 1.00 64.12 N ATOM 1618 NH2 ARG A 104 -9.754 -18.442 -31.961 1.00 44.54 N ATOM 0 H ARG A 104 -7.645 -13.786 -27.884 1.00 62.23 H new ATOM 0 HA ARG A 104 -8.814 -12.793 -30.334 1.00 73.21 H new ATOM 0 HB2 ARG A 104 -9.990 -15.062 -29.113 1.00 72.03 H new ATOM 0 HB3 ARG A 104 -10.972 -13.705 -28.602 1.00 72.03 H new ATOM 0 HG2 ARG A 104 -11.762 -13.287 -30.716 1.00 71.14 H new ATOM 0 HG3 ARG A 104 -10.269 -13.770 -31.496 1.00 71.14 H new ATOM 0 HD2 ARG A 104 -12.268 -15.687 -30.229 1.00 12.03 H new ATOM 0 HD3 ARG A 104 -12.164 -15.340 -31.944 1.00 12.03 H new ATOM 0 HE ARG A 104 -9.658 -16.292 -30.713 1.00 61.42 H new ATOM 0 HH11 ARG A 104 -12.641 -17.093 -32.423 1.00 64.12 H new ATOM 0 HH12 ARG A 104 -12.018 -18.633 -33.025 1.00 64.12 H new ATOM 0 HH21 ARG A 104 -8.866 -18.272 -31.490 1.00 44.54 H new ATOM 0 HH22 ARG A 104 -9.890 -19.298 -32.499 1.00 44.54 H new ATOM 1632 N HIS A 105 -10.137 -11.045 -28.875 1.00 50.22 N ATOM 1633 CA HIS A 105 -10.461 -9.848 -28.107 1.00 32.11 C ATOM 1634 C HIS A 105 -10.875 -10.212 -26.684 1.00 2.50 C ATOM 1635 O HIS A 105 -10.956 -11.389 -26.333 1.00 14.01 O ATOM 1636 CB HIS A 105 -11.582 -9.065 -28.792 1.00 5.33 C ATOM 1637 CG HIS A 105 -11.384 -8.904 -30.268 1.00 13.24 C ATOM 1638 ND1 HIS A 105 -11.042 -7.704 -30.855 1.00 13.12 N ATOM 1639 CD2 HIS A 105 -11.481 -9.801 -31.277 1.00 12.32 C ATOM 1640 CE1 HIS A 105 -10.939 -7.869 -32.161 1.00 71.34 C ATOM 1641 NE2 HIS A 105 -11.200 -9.133 -32.443 1.00 52.04 N ATOM 0 H HIS A 105 -10.624 -11.117 -29.768 1.00 50.22 H new ATOM 0 HA HIS A 105 -9.569 -9.224 -28.059 1.00 32.11 H new ATOM 0 HB2 HIS A 105 -12.530 -9.573 -28.614 1.00 5.33 H new ATOM 0 HB3 HIS A 105 -11.658 -8.079 -28.334 1.00 5.33 H new ATOM 0 HD1 HIS A 105 -10.892 -6.826 -30.358 1.00 13.12 H new ATOM 0 HD2 HIS A 105 -11.733 -10.847 -31.182 1.00 12.32 H new ATOM 0 HE1 HIS A 105 -10.685 -7.101 -32.877 1.00 71.34 H new ATOM 1649 N ILE A 106 -11.133 -9.194 -25.870 1.00 55.31 N ATOM 1650 CA ILE A 106 -11.538 -9.407 -24.486 1.00 55.32 C ATOM 1651 C ILE A 106 -12.280 -8.193 -23.937 1.00 55.24 C ATOM 1652 O ILE A 106 -12.137 -7.082 -24.448 1.00 43.34 O ATOM 1653 CB ILE A 106 -10.326 -9.704 -23.584 1.00 71.22 C ATOM 1654 CG1 ILE A 106 -9.052 -9.118 -24.196 1.00 22.41 C ATOM 1655 CG2 ILE A 106 -10.178 -11.204 -23.373 1.00 50.43 C ATOM 1656 CD1 ILE A 106 -7.871 -9.123 -23.251 1.00 65.11 C ATOM 0 H ILE A 106 -11.069 -8.214 -26.145 1.00 55.31 H new ATOM 0 HA ILE A 106 -12.204 -10.270 -24.482 1.00 55.32 H new ATOM 0 HB ILE A 106 -10.489 -9.235 -22.614 1.00 71.22 H new ATOM 0 HG12 ILE A 106 -8.794 -9.685 -25.090 1.00 22.41 H new ATOM 0 HG13 ILE A 106 -9.249 -8.094 -24.514 1.00 22.41 H new ATOM 0 HG21 ILE A 106 -9.317 -11.398 -22.733 1.00 50.43 H new ATOM 0 HG22 ILE A 106 -11.078 -11.595 -22.899 1.00 50.43 H new ATOM 0 HG23 ILE A 106 -10.033 -11.694 -24.336 1.00 50.43 H new ATOM 0 HD11 ILE A 106 -7.003 -8.694 -23.751 1.00 65.11 H new ATOM 0 HD12 ILE A 106 -8.110 -8.532 -22.367 1.00 65.11 H new ATOM 0 HD13 ILE A 106 -7.648 -10.147 -22.953 1.00 65.11 H new ATOM 1668 N ILE A 107 -13.072 -8.413 -22.893 1.00 54.44 N ATOM 1669 CA ILE A 107 -13.835 -7.336 -22.273 1.00 44.13 C ATOM 1670 C ILE A 107 -13.443 -7.157 -20.811 1.00 4.54 C ATOM 1671 O ILE A 107 -13.569 -8.079 -20.005 1.00 64.02 O ATOM 1672 CB ILE A 107 -15.350 -7.597 -22.359 1.00 21.33 C ATOM 1673 CG1 ILE A 107 -15.672 -8.466 -23.577 1.00 1.44 C ATOM 1674 CG2 ILE A 107 -16.112 -6.282 -22.423 1.00 4.11 C ATOM 1675 CD1 ILE A 107 -17.070 -9.043 -23.554 1.00 63.42 C ATOM 0 H ILE A 107 -13.202 -9.327 -22.459 1.00 54.44 H new ATOM 0 HA ILE A 107 -13.601 -6.425 -22.824 1.00 44.13 H new ATOM 0 HB ILE A 107 -15.663 -8.132 -21.462 1.00 21.33 H new ATOM 0 HG12 ILE A 107 -15.548 -7.870 -24.481 1.00 1.44 H new ATOM 0 HG13 ILE A 107 -14.952 -9.282 -23.632 1.00 1.44 H new ATOM 0 HG21 ILE A 107 -17.181 -6.484 -22.483 1.00 4.11 H new ATOM 0 HG22 ILE A 107 -15.903 -5.697 -21.528 1.00 4.11 H new ATOM 0 HG23 ILE A 107 -15.798 -5.722 -23.304 1.00 4.11 H new ATOM 0 HD11 ILE A 107 -17.229 -9.647 -24.447 1.00 63.42 H new ATOM 0 HD12 ILE A 107 -17.192 -9.666 -22.668 1.00 63.42 H new ATOM 0 HD13 ILE A 107 -17.798 -8.232 -23.531 1.00 63.42 H new ATOM 1687 N VAL A 108 -12.968 -5.962 -20.473 1.00 41.40 N ATOM 1688 CA VAL A 108 -12.560 -5.659 -19.106 1.00 71.33 C ATOM 1689 C VAL A 108 -13.153 -4.336 -18.636 1.00 34.13 C ATOM 1690 O VAL A 108 -13.573 -3.510 -19.445 1.00 53.31 O ATOM 1691 CB VAL A 108 -11.026 -5.596 -18.979 1.00 54.43 C ATOM 1692 CG1 VAL A 108 -10.465 -6.957 -18.599 1.00 20.13 C ATOM 1693 CG2 VAL A 108 -10.405 -5.097 -20.275 1.00 52.22 C ATOM 0 H VAL A 108 -12.856 -5.188 -21.128 1.00 41.40 H new ATOM 0 HA VAL A 108 -12.936 -6.466 -18.477 1.00 71.33 H new ATOM 0 HB VAL A 108 -10.773 -4.892 -18.186 1.00 54.43 H new ATOM 0 HG11 VAL A 108 -9.380 -6.893 -18.514 1.00 20.13 H new ATOM 0 HG12 VAL A 108 -10.886 -7.270 -17.644 1.00 20.13 H new ATOM 0 HG13 VAL A 108 -10.726 -7.685 -19.367 1.00 20.13 H new ATOM 0 HG21 VAL A 108 -9.321 -5.059 -20.168 1.00 52.22 H new ATOM 0 HG22 VAL A 108 -10.665 -5.775 -21.088 1.00 52.22 H new ATOM 0 HG23 VAL A 108 -10.783 -4.100 -20.499 1.00 52.22 H new ATOM 1703 N ALA A 109 -13.184 -4.142 -17.321 1.00 53.03 N ATOM 1704 CA ALA A 109 -13.724 -2.918 -16.742 1.00 43.14 C ATOM 1705 C ALA A 109 -12.616 -2.062 -16.139 1.00 1.55 C ATOM 1706 O ALA A 109 -12.129 -2.340 -15.042 1.00 75.11 O ATOM 1707 CB ALA A 109 -14.771 -3.249 -15.689 1.00 41.14 C ATOM 0 H ALA A 109 -12.842 -4.817 -16.637 1.00 53.03 H new ATOM 0 HA ALA A 109 -14.197 -2.345 -17.540 1.00 43.14 H new ATOM 0 HB1 ALA A 109 -15.165 -2.325 -15.265 1.00 41.14 H new ATOM 0 HB2 ALA A 109 -15.583 -3.813 -16.148 1.00 41.14 H new ATOM 0 HB3 ALA A 109 -14.316 -3.846 -14.898 1.00 41.14 H new ATOM 1713 N CYS A 110 -12.220 -1.019 -16.861 1.00 13.43 N ATOM 1714 CA CYS A 110 -11.169 -0.121 -16.397 1.00 62.53 C ATOM 1715 C CYS A 110 -11.763 1.096 -15.694 1.00 61.41 C ATOM 1716 O CYS A 110 -12.880 1.515 -15.996 1.00 21.53 O ATOM 1717 CB CYS A 110 -10.299 0.329 -17.573 1.00 31.04 C ATOM 1718 SG CYS A 110 -11.145 0.280 -19.185 1.00 61.33 S ATOM 0 H CYS A 110 -12.612 -0.775 -17.771 1.00 13.43 H new ATOM 0 HA CYS A 110 -10.551 -0.664 -15.682 1.00 62.53 H new ATOM 0 HB2 CYS A 110 -9.953 1.346 -17.387 1.00 31.04 H new ATOM 0 HB3 CYS A 110 -9.414 -0.305 -17.620 1.00 31.04 H new ATOM 1723 N GLU A 111 -11.007 1.658 -14.756 1.00 32.41 N ATOM 1724 CA GLU A 111 -11.460 2.826 -14.010 1.00 23.01 C ATOM 1725 C GLU A 111 -10.304 3.463 -13.244 1.00 11.25 C ATOM 1726 O GLU A 111 -9.178 2.969 -13.273 1.00 41.01 O ATOM 1727 CB GLU A 111 -12.577 2.438 -13.039 1.00 71.35 C ATOM 1728 CG GLU A 111 -13.395 3.620 -12.548 1.00 42.41 C ATOM 1729 CD GLU A 111 -14.822 3.240 -12.205 1.00 11.52 C ATOM 1730 OE1 GLU A 111 -15.012 2.259 -11.457 1.00 22.21 O ATOM 1731 OE2 GLU A 111 -15.749 3.926 -12.684 1.00 75.14 O ATOM 0 H GLU A 111 -10.079 1.324 -14.495 1.00 32.41 H new ATOM 0 HA GLU A 111 -11.846 3.554 -14.724 1.00 23.01 H new ATOM 0 HB2 GLU A 111 -13.241 1.726 -13.529 1.00 71.35 H new ATOM 0 HB3 GLU A 111 -12.140 1.928 -12.181 1.00 71.35 H new ATOM 0 HG2 GLU A 111 -12.916 4.048 -11.668 1.00 42.41 H new ATOM 0 HG3 GLU A 111 -13.404 4.395 -13.315 1.00 42.41 H new ATOM 1738 N GLY A 112 -10.593 4.565 -12.558 1.00 3.14 N ATOM 1739 CA GLY A 112 -9.568 5.253 -11.794 1.00 13.03 C ATOM 1740 C GLY A 112 -8.758 6.212 -12.643 1.00 24.21 C ATOM 1741 O GLY A 112 -9.272 6.792 -13.599 1.00 62.43 O ATOM 0 H GLY A 112 -11.518 4.993 -12.518 1.00 3.14 H new ATOM 0 HA2 GLY A 112 -10.036 5.802 -10.977 1.00 13.03 H new ATOM 0 HA3 GLY A 112 -8.900 4.518 -11.344 1.00 13.03 H new ATOM 1745 N SER A 113 -7.487 6.381 -12.292 1.00 64.45 N ATOM 1746 CA SER A 113 -6.604 7.280 -13.026 1.00 53.34 C ATOM 1747 C SER A 113 -5.147 6.857 -12.873 1.00 23.42 C ATOM 1748 O SER A 113 -4.613 6.768 -11.767 1.00 65.11 O ATOM 1749 CB SER A 113 -6.784 8.718 -12.535 1.00 61.00 C ATOM 1750 OG SER A 113 -7.572 9.472 -13.440 1.00 64.33 O ATOM 0 H SER A 113 -7.046 5.907 -11.504 1.00 64.45 H new ATOM 0 HA SER A 113 -6.869 7.228 -14.082 1.00 53.34 H new ATOM 0 HB2 SER A 113 -7.257 8.714 -11.553 1.00 61.00 H new ATOM 0 HB3 SER A 113 -5.809 9.190 -12.417 1.00 61.00 H new ATOM 0 HG SER A 113 -8.303 8.915 -13.780 1.00 64.33 H new ATOM 1756 N PRO A 114 -4.487 6.588 -14.009 1.00 44.32 N ATOM 1757 CA PRO A 114 -5.112 6.690 -15.331 1.00 12.00 C ATOM 1758 C PRO A 114 -6.155 5.602 -15.564 1.00 65.23 C ATOM 1759 O PRO A 114 -6.384 4.754 -14.702 1.00 35.23 O ATOM 1760 CB PRO A 114 -3.935 6.519 -16.295 1.00 33.44 C ATOM 1761 CG PRO A 114 -2.926 5.738 -15.525 1.00 52.21 C ATOM 1762 CD PRO A 114 -3.079 6.164 -14.091 1.00 42.41 C ATOM 0 HA PRO A 114 -5.649 7.630 -15.456 1.00 12.00 H new ATOM 0 HB2 PRO A 114 -4.238 5.992 -17.200 1.00 33.44 H new ATOM 0 HB3 PRO A 114 -3.535 7.484 -16.607 1.00 33.44 H new ATOM 0 HG2 PRO A 114 -3.096 4.667 -15.634 1.00 52.21 H new ATOM 0 HG3 PRO A 114 -1.918 5.940 -15.887 1.00 52.21 H new ATOM 0 HD2 PRO A 114 -2.865 5.345 -13.404 1.00 42.41 H new ATOM 0 HD3 PRO A 114 -2.399 6.978 -13.839 1.00 42.41 H new ATOM 1770 N TYR A 115 -6.782 5.631 -16.735 1.00 2.22 N ATOM 1771 CA TYR A 115 -7.801 4.648 -17.080 1.00 74.15 C ATOM 1772 C TYR A 115 -7.171 3.292 -17.382 1.00 65.03 C ATOM 1773 O TYR A 115 -6.625 3.075 -18.464 1.00 62.12 O ATOM 1774 CB TYR A 115 -8.612 5.125 -18.286 1.00 52.44 C ATOM 1775 CG TYR A 115 -10.095 5.237 -18.013 1.00 72.44 C ATOM 1776 CD1 TYR A 115 -10.564 5.641 -16.769 1.00 62.22 C ATOM 1777 CD2 TYR A 115 -11.028 4.937 -18.999 1.00 24.34 C ATOM 1778 CE1 TYR A 115 -11.918 5.743 -16.515 1.00 2.32 C ATOM 1779 CE2 TYR A 115 -12.383 5.038 -18.754 1.00 33.34 C ATOM 1780 CZ TYR A 115 -12.823 5.441 -17.510 1.00 55.12 C ATOM 1781 OH TYR A 115 -14.173 5.542 -17.262 1.00 32.33 O ATOM 0 H TYR A 115 -6.602 6.325 -17.461 1.00 2.22 H new ATOM 0 HA TYR A 115 -8.466 4.537 -16.224 1.00 74.15 H new ATOM 0 HB2 TYR A 115 -8.235 6.097 -18.605 1.00 52.44 H new ATOM 0 HB3 TYR A 115 -8.455 4.435 -19.115 1.00 52.44 H new ATOM 0 HD1 TYR A 115 -9.858 5.879 -15.987 1.00 62.22 H new ATOM 0 HD2 TYR A 115 -10.687 4.619 -19.973 1.00 24.34 H new ATOM 0 HE1 TYR A 115 -12.266 6.058 -15.542 1.00 2.32 H new ATOM 0 HE2 TYR A 115 -13.094 4.803 -19.532 1.00 33.34 H new ATOM 0 HH TYR A 115 -14.648 4.834 -17.744 1.00 32.33 H new ATOM 1791 N VAL A 116 -7.250 2.382 -16.417 1.00 31.41 N ATOM 1792 CA VAL A 116 -6.689 1.045 -16.578 1.00 12.50 C ATOM 1793 C VAL A 116 -7.688 -0.025 -16.152 1.00 42.21 C ATOM 1794 O VAL A 116 -8.567 0.206 -15.322 1.00 11.41 O ATOM 1795 CB VAL A 116 -5.394 0.878 -15.761 1.00 13.21 C ATOM 1796 CG1 VAL A 116 -4.379 1.943 -16.145 1.00 43.24 C ATOM 1797 CG2 VAL A 116 -5.695 0.930 -14.271 1.00 21.25 C ATOM 0 H VAL A 116 -7.697 2.546 -15.515 1.00 31.41 H new ATOM 0 HA VAL A 116 -6.460 0.923 -17.637 1.00 12.50 H new ATOM 0 HB VAL A 116 -4.965 -0.098 -15.989 1.00 13.21 H new ATOM 0 HG11 VAL A 116 -3.471 1.809 -15.557 1.00 43.24 H new ATOM 0 HG12 VAL A 116 -4.142 1.854 -17.205 1.00 43.24 H new ATOM 0 HG13 VAL A 116 -4.796 2.931 -15.948 1.00 43.24 H new ATOM 0 HG21 VAL A 116 -4.769 0.810 -13.708 1.00 21.25 H new ATOM 0 HG22 VAL A 116 -6.148 1.890 -14.025 1.00 21.25 H new ATOM 0 HG23 VAL A 116 -6.384 0.127 -14.011 1.00 21.25 H new ATOM 1807 N PRO A 117 -7.551 -1.226 -16.733 1.00 21.25 N ATOM 1808 CA PRO A 117 -8.432 -2.358 -16.428 1.00 1.42 C ATOM 1809 C PRO A 117 -8.210 -2.903 -15.021 1.00 43.12 C ATOM 1810 O PRO A 117 -7.124 -3.383 -14.695 1.00 72.30 O ATOM 1811 CB PRO A 117 -8.041 -3.404 -17.475 1.00 1.43 C ATOM 1812 CG PRO A 117 -6.636 -3.069 -17.838 1.00 44.34 C ATOM 1813 CD PRO A 117 -6.525 -1.573 -17.731 1.00 12.14 C ATOM 0 HA PRO A 117 -9.484 -2.076 -16.460 1.00 1.42 H new ATOM 0 HB2 PRO A 117 -8.116 -4.414 -17.073 1.00 1.43 H new ATOM 0 HB3 PRO A 117 -8.696 -3.358 -18.345 1.00 1.43 H new ATOM 0 HG2 PRO A 117 -5.932 -3.561 -17.167 1.00 44.34 H new ATOM 0 HG3 PRO A 117 -6.403 -3.406 -18.848 1.00 44.34 H new ATOM 0 HD2 PRO A 117 -5.530 -1.266 -17.408 1.00 12.14 H new ATOM 0 HD3 PRO A 117 -6.714 -1.086 -18.688 1.00 12.14 H new ATOM 1821 N VAL A 118 -9.245 -2.826 -14.191 1.00 51.21 N ATOM 1822 CA VAL A 118 -9.163 -3.313 -12.819 1.00 73.45 C ATOM 1823 C VAL A 118 -10.095 -4.501 -12.602 1.00 4.42 C ATOM 1824 O VAL A 118 -10.249 -4.985 -11.480 1.00 54.41 O ATOM 1825 CB VAL A 118 -9.516 -2.206 -11.808 1.00 63.33 C ATOM 1826 CG1 VAL A 118 -8.450 -1.121 -11.811 1.00 61.22 C ATOM 1827 CG2 VAL A 118 -10.885 -1.621 -12.116 1.00 55.42 C ATOM 0 H VAL A 118 -10.150 -2.431 -14.445 1.00 51.21 H new ATOM 0 HA VAL A 118 -8.132 -3.628 -12.655 1.00 73.45 H new ATOM 0 HB VAL A 118 -9.550 -2.645 -10.811 1.00 63.33 H new ATOM 0 HG11 VAL A 118 -8.716 -0.347 -11.091 1.00 61.22 H new ATOM 0 HG12 VAL A 118 -7.488 -1.555 -11.538 1.00 61.22 H new ATOM 0 HG13 VAL A 118 -8.381 -0.682 -12.806 1.00 61.22 H new ATOM 0 HG21 VAL A 118 -11.118 -0.840 -11.392 1.00 55.42 H new ATOM 0 HG22 VAL A 118 -10.882 -1.196 -13.120 1.00 55.42 H new ATOM 0 HG23 VAL A 118 -11.638 -2.407 -12.058 1.00 55.42 H new ATOM 1837 N HIS A 119 -10.713 -4.967 -13.682 1.00 50.53 N ATOM 1838 CA HIS A 119 -11.629 -6.099 -13.610 1.00 73.10 C ATOM 1839 C HIS A 119 -11.775 -6.768 -14.974 1.00 10.05 C ATOM 1840 O HIS A 119 -11.776 -6.099 -16.007 1.00 61.44 O ATOM 1841 CB HIS A 119 -12.998 -5.643 -13.104 1.00 31.33 C ATOM 1842 CG HIS A 119 -14.144 -6.374 -13.734 1.00 44.44 C ATOM 1843 ND1 HIS A 119 -15.091 -7.061 -13.005 1.00 40.23 N ATOM 1844 CD2 HIS A 119 -14.492 -6.520 -15.034 1.00 52.11 C ATOM 1845 CE1 HIS A 119 -15.972 -7.600 -13.829 1.00 42.32 C ATOM 1846 NE2 HIS A 119 -15.631 -7.286 -15.066 1.00 74.03 N ATOM 0 H HIS A 119 -10.596 -4.578 -14.618 1.00 50.53 H new ATOM 0 HA HIS A 119 -11.215 -6.826 -12.911 1.00 73.10 H new ATOM 0 HB2 HIS A 119 -13.041 -5.780 -12.023 1.00 31.33 H new ATOM 0 HB3 HIS A 119 -13.110 -4.576 -13.295 1.00 31.33 H new ATOM 0 HD1 HIS A 119 -15.109 -7.141 -11.988 1.00 40.23 H new ATOM 0 HD2 HIS A 119 -13.971 -6.110 -15.887 1.00 52.11 H new ATOM 0 HE1 HIS A 119 -16.825 -8.196 -13.540 1.00 42.32 H new ATOM 1854 N PHE A 120 -11.897 -8.091 -14.968 1.00 72.21 N ATOM 1855 CA PHE A 120 -12.042 -8.851 -16.205 1.00 3.35 C ATOM 1856 C PHE A 120 -13.441 -9.450 -16.314 1.00 42.25 C ATOM 1857 O PHE A 120 -13.961 -10.020 -15.355 1.00 43.11 O ATOM 1858 CB PHE A 120 -10.992 -9.962 -16.271 1.00 31.11 C ATOM 1859 CG PHE A 120 -10.480 -10.221 -17.659 1.00 74.11 C ATOM 1860 CD1 PHE A 120 -11.281 -10.848 -18.601 1.00 5.21 C ATOM 1861 CD2 PHE A 120 -9.200 -9.838 -18.022 1.00 45.54 C ATOM 1862 CE1 PHE A 120 -10.812 -11.088 -19.879 1.00 23.14 C ATOM 1863 CE2 PHE A 120 -8.725 -10.075 -19.299 1.00 14.21 C ATOM 1864 CZ PHE A 120 -9.533 -10.700 -20.228 1.00 51.05 C ATOM 0 H PHE A 120 -11.898 -8.659 -14.121 1.00 72.21 H new ATOM 0 HA PHE A 120 -11.892 -8.169 -17.042 1.00 3.35 H new ATOM 0 HB2 PHE A 120 -10.154 -9.697 -15.627 1.00 31.11 H new ATOM 0 HB3 PHE A 120 -11.422 -10.881 -15.873 1.00 31.11 H new ATOM 0 HD1 PHE A 120 -12.282 -11.152 -18.333 1.00 5.21 H new ATOM 0 HD2 PHE A 120 -8.565 -9.348 -17.299 1.00 45.54 H new ATOM 0 HE1 PHE A 120 -11.445 -11.578 -20.604 1.00 23.14 H new ATOM 0 HE2 PHE A 120 -7.724 -9.772 -19.569 1.00 14.21 H new ATOM 0 HZ PHE A 120 -9.165 -10.885 -21.226 1.00 51.05 H new ATOM 1874 N ASP A 121 -14.044 -9.316 -17.490 1.00 53.32 N ATOM 1875 CA ASP A 121 -15.383 -9.844 -17.727 1.00 41.32 C ATOM 1876 C ASP A 121 -15.317 -11.197 -18.428 1.00 50.02 C ATOM 1877 O ASP A 121 -15.550 -12.237 -17.814 1.00 23.44 O ATOM 1878 CB ASP A 121 -16.201 -8.860 -18.566 1.00 31.35 C ATOM 1879 CG ASP A 121 -17.513 -9.455 -19.038 1.00 15.51 C ATOM 1880 OD1 ASP A 121 -17.966 -10.449 -18.433 1.00 1.31 O ATOM 1881 OD2 ASP A 121 -18.088 -8.926 -20.013 1.00 44.11 O ATOM 0 H ASP A 121 -13.627 -8.847 -18.294 1.00 53.32 H new ATOM 0 HA ASP A 121 -15.870 -9.979 -16.761 1.00 41.32 H new ATOM 0 HB2 ASP A 121 -16.402 -7.965 -17.978 1.00 31.35 H new ATOM 0 HB3 ASP A 121 -15.615 -8.549 -19.430 1.00 31.35 H new ATOM 1886 N ALA A 122 -15.000 -11.174 -19.719 1.00 24.45 N ATOM 1887 CA ALA A 122 -14.902 -12.399 -20.503 1.00 34.12 C ATOM 1888 C ALA A 122 -14.318 -12.122 -21.884 1.00 15.31 C ATOM 1889 O ALA A 122 -14.405 -11.004 -22.392 1.00 2.33 O ATOM 1890 CB ALA A 122 -16.269 -13.056 -20.628 1.00 12.23 C ATOM 0 H ALA A 122 -14.807 -10.321 -20.243 1.00 24.45 H new ATOM 0 HA ALA A 122 -14.229 -13.081 -19.983 1.00 34.12 H new ATOM 0 HB1 ALA A 122 -16.181 -13.970 -21.216 1.00 12.23 H new ATOM 0 HB2 ALA A 122 -16.648 -13.298 -19.635 1.00 12.23 H new ATOM 0 HB3 ALA A 122 -16.958 -12.371 -21.123 1.00 12.23 H new ATOM 1896 N SER A 123 -13.724 -13.146 -22.487 1.00 25.35 N ATOM 1897 CA SER A 123 -13.121 -13.011 -23.808 1.00 20.14 C ATOM 1898 C SER A 123 -14.194 -12.963 -24.891 1.00 44.35 C ATOM 1899 O SER A 123 -15.345 -13.329 -24.658 1.00 75.21 O ATOM 1900 CB SER A 123 -12.162 -14.172 -24.075 1.00 64.40 C ATOM 1901 OG SER A 123 -12.771 -15.416 -23.775 1.00 64.43 O ATOM 0 H SER A 123 -13.647 -14.079 -22.082 1.00 25.35 H new ATOM 0 HA SER A 123 -12.562 -12.075 -23.832 1.00 20.14 H new ATOM 0 HB2 SER A 123 -11.851 -14.158 -25.120 1.00 64.40 H new ATOM 0 HB3 SER A 123 -11.262 -14.050 -23.473 1.00 64.40 H new ATOM 0 HG SER A 123 -12.138 -16.142 -23.956 1.00 64.43 H new ATOM 1907 N VAL A 124 -13.806 -12.507 -26.079 1.00 31.43 N ATOM 1908 CA VAL A 124 -14.733 -12.411 -27.200 1.00 62.22 C ATOM 1909 C VAL A 124 -14.382 -13.417 -28.291 1.00 21.02 C ATOM 1910 O VAL A 124 -13.402 -14.153 -28.178 1.00 12.14 O ATOM 1911 CB VAL A 124 -14.737 -10.995 -27.805 1.00 44.23 C ATOM 1912 CG1 VAL A 124 -16.069 -10.706 -28.480 1.00 1.31 C ATOM 1913 CG2 VAL A 124 -14.436 -9.957 -26.734 1.00 62.51 C ATOM 0 H VAL A 124 -12.857 -12.199 -26.289 1.00 31.43 H new ATOM 0 HA VAL A 124 -15.726 -12.634 -26.810 1.00 62.22 H new ATOM 0 HB VAL A 124 -13.954 -10.940 -28.562 1.00 44.23 H new ATOM 0 HG11 VAL A 124 -16.053 -9.701 -28.902 1.00 1.31 H new ATOM 0 HG12 VAL A 124 -16.238 -11.431 -29.276 1.00 1.31 H new ATOM 0 HG13 VAL A 124 -16.872 -10.779 -27.747 1.00 1.31 H new ATOM 0 HG21 VAL A 124 -14.443 -8.962 -27.179 1.00 62.51 H new ATOM 0 HG22 VAL A 124 -15.194 -10.010 -25.953 1.00 62.51 H new ATOM 0 HG23 VAL A 124 -13.455 -10.154 -26.302 1.00 62.51 H new ATOM 1923 N GLU A 125 -15.189 -13.442 -29.347 1.00 63.01 N ATOM 1924 CA GLU A 125 -14.963 -14.359 -30.458 1.00 42.45 C ATOM 1925 C GLU A 125 -14.699 -13.592 -31.751 1.00 43.31 C ATOM 1926 O GLU A 125 -13.998 -14.075 -32.640 1.00 61.43 O ATOM 1927 CB GLU A 125 -16.168 -15.284 -30.639 1.00 12.33 C ATOM 1928 CG GLU A 125 -16.199 -16.442 -29.656 1.00 1.13 C ATOM 1929 CD GLU A 125 -17.597 -16.990 -29.444 1.00 24.33 C ATOM 1930 OE1 GLU A 125 -18.457 -16.243 -28.933 1.00 42.13 O ATOM 1931 OE2 GLU A 125 -17.830 -18.168 -29.789 1.00 1.30 O ATOM 0 H GLU A 125 -16.004 -12.839 -29.456 1.00 63.01 H new ATOM 0 HA GLU A 125 -14.084 -14.960 -30.226 1.00 42.45 H new ATOM 0 HB2 GLU A 125 -17.083 -14.701 -30.530 1.00 12.33 H new ATOM 0 HB3 GLU A 125 -16.162 -15.680 -31.654 1.00 12.33 H new ATOM 0 HG2 GLU A 125 -15.551 -17.240 -30.020 1.00 1.13 H new ATOM 0 HG3 GLU A 125 -15.793 -16.113 -28.700 1.00 1.13 H new