USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 815 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 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 4 SER OG : rot 180:sc= -0.42 USER MOD Set 2.2: A 25 GLN :FLIP amide:sc= -1.82 F(o=-6.7!,f=-3.8) USER MOD Set 2.3: A 87 THR OG1 : rot -99:sc= -1.6 USER MOD Set 3.1: A 79 ASN : amide:sc= -1.04! C(o=-0.4!,f=-9.5!) USER MOD Set 3.2: A 84 SER OG : rot -11:sc= 0.645 USER MOD Set 4.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 69 MET CE :methyl -178:sc= -1.42 (180deg=-1.43) USER MOD Set 5.1: A 16 LYS NZ :NH3+ -175:sc= -2.38! (180deg=-2.77!) USER MOD Set 5.2: A 96 LYS NZ :NH3+ 156:sc= -0.175 (180deg=-0.559) USER MOD Set 6.1: A 13 SER OG : rot 180:sc= 0.0277 USER MOD Set 6.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -137:sc=-0.00595 (180deg=-0.883) USER MOD Single : A 7 SER OG : rot 59:sc= -0.429 USER MOD Single : A 9 HIS : no HD1:sc= -0.0445 X(o=-0.044,f=-0.19) USER MOD Single : A 11 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.6!) USER MOD Single : A 17 SER OG : rot -60:sc= -2.63! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.483 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= -1.27 (180deg=-3.15!) USER MOD Single : A 54 GLN : amide:sc= -0.0561 K(o=-0.056,f=-1.4!) USER MOD Single : A 56 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.046) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= -0.0794 (180deg=-0.625) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.0164 F(o=-0.52,f=-0.016) USER MOD Single : A 64 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-5.9!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc=-0.00139 X(o=-0.0014,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -159:sc= -0.633 (180deg=-2.1!) USER MOD Single : A 98 ASN : amide:sc= -0.0701 K(o=-0.07,f=-1.3) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.051 18.979 -6.807 1.00 0.00 N ATOM 2 CA ARG A 1 1.803 20.207 -7.185 1.00 0.00 C ATOM 3 C ARG A 1 3.268 20.017 -6.800 1.00 0.00 C ATOM 4 O ARG A 1 4.170 20.216 -7.613 1.00 0.00 O ATOM 5 CB ARG A 1 1.213 21.408 -6.441 1.00 0.00 C ATOM 6 CG ARG A 1 1.691 22.707 -7.095 1.00 0.00 C ATOM 7 CD ARG A 1 1.220 23.899 -6.259 1.00 0.00 C ATOM 8 NE ARG A 1 -0.239 23.931 -6.204 1.00 0.00 N ATOM 9 CZ ARG A 1 -0.955 24.497 -7.170 1.00 0.00 C ATOM 10 NH1 ARG A 1 -0.357 25.047 -8.194 1.00 0.00 N ATOM 11 NH2 ARG A 1 -2.258 24.505 -7.094 1.00 0.00 N ATOM 0 H1 ARG A 1 0.396 18.723 -7.573 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.719 18.198 -6.648 1.00 0.00 H new ATOM 0 H3 ARG A 1 0.512 19.157 -5.935 1.00 0.00 H new ATOM 0 HA ARG A 1 1.728 20.385 -8.258 1.00 0.00 H new ATOM 0 HB2 ARG A 1 0.124 21.360 -6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 1 1.516 21.384 -5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.778 22.710 -7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.299 22.782 -8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 1 1.628 23.829 -5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.595 24.827 -6.691 1.00 0.00 H new ATOM 0 HE ARG A 1 -0.718 23.510 -5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 1 0.661 25.042 -8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -0.909 25.481 -8.934 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -2.725 24.077 -6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -2.809 24.939 -7.834 1.00 0.00 H new ATOM 25 N GLU A 2 3.487 19.614 -5.547 1.00 0.00 N ATOM 26 CA GLU A 2 4.832 19.370 -5.021 1.00 0.00 C ATOM 27 C GLU A 2 4.914 17.945 -4.470 1.00 0.00 C ATOM 28 O GLU A 2 4.762 17.732 -3.267 1.00 0.00 O ATOM 29 CB GLU A 2 5.138 20.354 -3.889 1.00 0.00 C ATOM 30 CG GLU A 2 4.814 21.783 -4.334 1.00 0.00 C ATOM 31 CD GLU A 2 5.748 22.207 -5.461 1.00 0.00 C ATOM 32 OE1 GLU A 2 6.793 21.592 -5.601 1.00 0.00 O ATOM 33 OE2 GLU A 2 5.406 23.140 -6.167 1.00 0.00 O ATOM 0 H GLU A 2 2.741 19.448 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 2 5.555 19.503 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.553 20.098 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.188 20.282 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.778 21.842 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.916 22.466 -3.491 1.00 0.00 H new ATOM 40 N PRO A 3 5.131 16.967 -5.316 1.00 0.00 N ATOM 41 CA PRO A 3 5.219 15.552 -4.916 1.00 0.00 C ATOM 42 C PRO A 3 6.671 15.110 -4.806 1.00 0.00 C ATOM 43 O PRO A 3 7.572 15.947 -4.766 1.00 0.00 O ATOM 44 CB PRO A 3 4.519 14.857 -6.082 1.00 0.00 C ATOM 45 CG PRO A 3 4.864 15.698 -7.290 1.00 0.00 C ATOM 46 CD PRO A 3 5.339 17.072 -6.759 1.00 0.00 C ATOM 0 HA PRO A 3 4.778 15.335 -3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.869 13.831 -6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.441 14.810 -5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.645 15.222 -7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.997 15.814 -7.940 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.385 17.257 -7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.762 17.891 -7.190 1.00 0.00 H new ATOM 54 N SER A 4 6.908 13.804 -4.769 1.00 0.00 N ATOM 55 CA SER A 4 8.278 13.320 -4.680 1.00 0.00 C ATOM 56 C SER A 4 8.360 11.806 -4.953 1.00 0.00 C ATOM 57 O SER A 4 7.345 11.160 -5.210 1.00 0.00 O ATOM 58 CB SER A 4 8.836 13.656 -3.290 1.00 0.00 C ATOM 59 OG SER A 4 8.873 12.479 -2.492 1.00 0.00 O ATOM 0 H SER A 4 6.191 13.079 -4.798 1.00 0.00 H new ATOM 0 HA SER A 4 8.878 13.814 -5.444 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.837 14.077 -3.381 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.215 14.413 -2.811 1.00 0.00 H new ATOM 0 HG SER A 4 9.231 12.696 -1.606 1.00 0.00 H new ATOM 65 N PRO A 5 9.547 11.235 -4.909 1.00 0.00 N ATOM 66 CA PRO A 5 9.758 9.770 -5.171 1.00 0.00 C ATOM 67 C PRO A 5 9.084 8.886 -4.107 1.00 0.00 C ATOM 68 O PRO A 5 8.557 9.390 -3.118 1.00 0.00 O ATOM 69 CB PRO A 5 11.298 9.600 -5.167 1.00 0.00 C ATOM 70 CG PRO A 5 11.867 10.990 -5.216 1.00 0.00 C ATOM 71 CD PRO A 5 10.816 11.913 -4.608 1.00 0.00 C ATOM 0 HA PRO A 5 9.308 9.455 -6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.630 9.073 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.628 9.013 -6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.801 11.046 -4.658 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.091 11.281 -6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.961 12.034 -3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.853 12.909 -5.049 1.00 0.00 H new ATOM 79 N PRO A 6 9.080 7.584 -4.307 1.00 0.00 N ATOM 80 CA PRO A 6 8.452 6.607 -3.371 1.00 0.00 C ATOM 81 C PRO A 6 8.567 6.955 -1.885 1.00 0.00 C ATOM 82 O PRO A 6 9.318 7.849 -1.495 1.00 0.00 O ATOM 83 CB PRO A 6 9.169 5.319 -3.712 1.00 0.00 C ATOM 84 CG PRO A 6 9.242 5.406 -5.185 1.00 0.00 C ATOM 85 CD PRO A 6 9.651 6.863 -5.465 1.00 0.00 C ATOM 0 HA PRO A 6 7.371 6.572 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.157 5.266 -3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.616 4.441 -3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.972 4.704 -5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.283 5.168 -5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.734 6.977 -5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.244 7.225 -6.409 1.00 0.00 H new ATOM 93 N SER A 7 7.773 6.246 -1.069 1.00 0.00 N ATOM 94 CA SER A 7 7.738 6.483 0.374 1.00 0.00 C ATOM 95 C SER A 7 6.969 5.353 1.089 1.00 0.00 C ATOM 96 O SER A 7 6.150 5.603 1.972 1.00 0.00 O ATOM 97 CB SER A 7 7.068 7.847 0.616 1.00 0.00 C ATOM 98 OG SER A 7 7.990 8.713 1.263 1.00 0.00 O ATOM 0 H SER A 7 7.148 5.505 -1.388 1.00 0.00 H new ATOM 0 HA SER A 7 8.749 6.492 0.780 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.747 8.281 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.175 7.723 1.229 1.00 0.00 H new ATOM 0 HG SER A 7 8.787 8.819 0.703 1.00 0.00 H new ATOM 104 N ILE A 8 7.225 4.109 0.687 1.00 0.00 N ATOM 105 CA ILE A 8 6.541 2.954 1.273 1.00 0.00 C ATOM 106 C ILE A 8 7.535 1.935 1.806 1.00 0.00 C ATOM 107 O ILE A 8 8.490 1.559 1.129 1.00 0.00 O ATOM 108 CB ILE A 8 5.674 2.272 0.209 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.703 3.295 -0.415 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.898 1.117 0.856 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.467 3.506 0.456 1.00 0.00 C ATOM 0 H ILE A 8 7.900 3.874 -0.041 1.00 0.00 H new ATOM 0 HA ILE A 8 5.926 3.316 2.097 1.00 0.00 H new ATOM 0 HB ILE A 8 6.309 1.876 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.217 4.246 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.397 2.951 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.279 0.628 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.600 0.395 1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.262 1.506 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.808 4.233 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.939 2.560 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.771 3.876 1.435 1.00 0.00 H new ATOM 123 N HIS A 9 7.274 1.482 3.023 1.00 0.00 N ATOM 124 CA HIS A 9 8.108 0.477 3.683 1.00 0.00 C ATOM 125 C HIS A 9 7.230 -0.657 4.199 1.00 0.00 C ATOM 126 O HIS A 9 6.361 -0.440 5.044 1.00 0.00 O ATOM 127 CB HIS A 9 8.862 1.114 4.852 1.00 0.00 C ATOM 128 CG HIS A 9 9.980 1.976 4.330 1.00 0.00 C ATOM 129 ND1 HIS A 9 10.958 1.483 3.484 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.298 3.294 4.541 1.00 0.00 C ATOM 131 CE1 HIS A 9 11.814 2.488 3.222 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.459 3.613 3.844 1.00 0.00 N ATOM 0 H HIS A 9 6.482 1.797 3.583 1.00 0.00 H new ATOM 0 HA HIS A 9 8.827 0.082 2.966 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.179 1.714 5.453 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.263 0.338 5.504 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.733 3.980 5.155 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.682 2.395 2.586 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.936 4.514 3.815 1.00 0.00 H new ATOM 140 N GLY A 10 7.445 -1.867 3.677 1.00 0.00 N ATOM 141 CA GLY A 10 6.647 -3.023 4.091 1.00 0.00 C ATOM 142 C GLY A 10 7.316 -3.807 5.209 1.00 0.00 C ATOM 143 O GLY A 10 8.538 -3.928 5.264 1.00 0.00 O ATOM 0 H GLY A 10 8.156 -2.071 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.665 -2.685 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.487 -3.678 3.235 1.00 0.00 H new ATOM 147 N GLN A 11 6.483 -4.352 6.089 1.00 0.00 N ATOM 148 CA GLN A 11 6.958 -5.152 7.216 1.00 0.00 C ATOM 149 C GLN A 11 5.916 -6.233 7.536 1.00 0.00 C ATOM 150 O GLN A 11 4.776 -5.902 7.861 1.00 0.00 O ATOM 151 CB GLN A 11 7.165 -4.247 8.437 1.00 0.00 C ATOM 152 CG GLN A 11 8.270 -3.230 8.133 1.00 0.00 C ATOM 153 CD GLN A 11 8.772 -2.593 9.425 1.00 0.00 C ATOM 154 OE1 GLN A 11 8.744 -3.222 10.482 1.00 0.00 O ATOM 155 NE2 GLN A 11 9.230 -1.371 9.399 1.00 0.00 N ATOM 0 H GLN A 11 5.469 -4.254 6.044 1.00 0.00 H new ATOM 0 HA GLN A 11 7.906 -5.625 6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.237 -3.730 8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.436 -4.846 9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.095 -3.722 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.890 -2.459 7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.252 -0.853 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.566 -0.934 10.257 1.00 0.00 H new ATOM 164 N PRO A 12 6.244 -7.509 7.433 1.00 0.00 N ATOM 165 CA PRO A 12 5.249 -8.584 7.707 1.00 0.00 C ATOM 166 C PRO A 12 4.512 -8.363 9.029 1.00 0.00 C ATOM 167 O PRO A 12 5.088 -8.523 10.106 1.00 0.00 O ATOM 168 CB PRO A 12 6.078 -9.882 7.746 1.00 0.00 C ATOM 169 CG PRO A 12 7.369 -9.582 7.035 1.00 0.00 C ATOM 170 CD PRO A 12 7.566 -8.059 7.057 1.00 0.00 C ATOM 0 HA PRO A 12 4.469 -8.609 6.946 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.264 -10.194 8.774 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.546 -10.698 7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.203 -10.083 7.527 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.336 -9.949 6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.333 -7.770 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.886 -7.688 6.083 1.00 0.00 H new ATOM 178 N SER A 13 3.234 -8.012 8.937 1.00 0.00 N ATOM 179 CA SER A 13 2.423 -7.794 10.127 1.00 0.00 C ATOM 180 C SER A 13 1.871 -9.129 10.619 1.00 0.00 C ATOM 181 O SER A 13 2.610 -10.106 10.737 1.00 0.00 O ATOM 182 CB SER A 13 1.267 -6.846 9.806 1.00 0.00 C ATOM 183 OG SER A 13 0.609 -6.480 11.012 1.00 0.00 O ATOM 0 H SER A 13 2.740 -7.873 8.055 1.00 0.00 H new ATOM 0 HA SER A 13 3.042 -7.347 10.905 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.641 -5.957 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.564 -7.329 9.127 1.00 0.00 H new ATOM 0 HG SER A 13 -0.131 -5.871 10.809 1.00 0.00 H new ATOM 189 N SER A 14 0.571 -9.169 10.893 1.00 0.00 N ATOM 190 CA SER A 14 -0.061 -10.397 11.356 1.00 0.00 C ATOM 191 C SER A 14 -0.386 -11.302 10.170 1.00 0.00 C ATOM 192 O SER A 14 -0.921 -10.847 9.159 1.00 0.00 O ATOM 193 CB SER A 14 -1.351 -10.068 12.110 1.00 0.00 C ATOM 194 OG SER A 14 -1.060 -9.158 13.165 1.00 0.00 O ATOM 0 H SER A 14 -0.060 -8.372 10.803 1.00 0.00 H new ATOM 0 HA SER A 14 0.629 -10.913 12.023 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.082 -9.632 11.430 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.793 -10.979 12.512 1.00 0.00 H new ATOM 0 HG SER A 14 -1.885 -8.944 13.649 1.00 0.00 H new ATOM 200 N GLY A 15 -0.071 -12.583 10.303 1.00 0.00 N ATOM 201 CA GLY A 15 -0.347 -13.547 9.241 1.00 0.00 C ATOM 202 C GLY A 15 0.238 -13.103 7.902 1.00 0.00 C ATOM 203 O GLY A 15 1.387 -12.671 7.823 1.00 0.00 O ATOM 0 H GLY A 15 0.374 -12.980 11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.068 -14.517 9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.424 -13.678 9.141 1.00 0.00 H new ATOM 207 N LYS A 16 -0.567 -13.233 6.850 1.00 0.00 N ATOM 208 CA LYS A 16 -0.137 -12.865 5.502 1.00 0.00 C ATOM 209 C LYS A 16 -0.180 -11.357 5.309 1.00 0.00 C ATOM 210 O LYS A 16 0.255 -10.841 4.283 1.00 0.00 O ATOM 211 CB LYS A 16 -1.062 -13.508 4.470 1.00 0.00 C ATOM 212 CG LYS A 16 -1.422 -14.919 4.910 1.00 0.00 C ATOM 213 CD LYS A 16 -2.152 -15.604 3.765 1.00 0.00 C ATOM 214 CE LYS A 16 -2.756 -16.908 4.246 1.00 0.00 C ATOM 215 NZ LYS A 16 -1.721 -17.762 4.897 1.00 0.00 N ATOM 0 H LYS A 16 -1.521 -13.590 6.904 1.00 0.00 H new ATOM 0 HA LYS A 16 0.886 -13.217 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.967 -12.911 4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.573 -13.534 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.523 -15.476 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.052 -14.891 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.935 -14.951 3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.461 -15.794 2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.561 -16.703 4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.198 -17.442 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.136 -18.683 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.926 -17.904 4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.379 -17.295 5.761 1.00 0.00 H new ATOM 229 N SER A 17 -0.746 -10.655 6.276 1.00 0.00 N ATOM 230 CA SER A 17 -0.882 -9.213 6.162 1.00 0.00 C ATOM 231 C SER A 17 0.475 -8.512 6.134 1.00 0.00 C ATOM 232 O SER A 17 1.405 -8.901 6.841 1.00 0.00 O ATOM 233 CB SER A 17 -1.726 -8.682 7.313 1.00 0.00 C ATOM 234 OG SER A 17 -2.244 -7.408 6.957 1.00 0.00 O ATOM 0 H SER A 17 -1.115 -11.054 7.139 1.00 0.00 H new ATOM 0 HA SER A 17 -1.378 -8.998 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.541 -9.372 7.532 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.123 -8.604 8.217 1.00 0.00 H new ATOM 0 HG SER A 17 -1.503 -6.791 6.781 1.00 0.00 H new ATOM 240 N PHE A 18 0.572 -7.468 5.304 1.00 0.00 N ATOM 241 CA PHE A 18 1.808 -6.689 5.168 1.00 0.00 C ATOM 242 C PHE A 18 1.540 -5.221 5.515 1.00 0.00 C ATOM 243 O PHE A 18 0.672 -4.583 4.920 1.00 0.00 O ATOM 244 CB PHE A 18 2.335 -6.809 3.709 1.00 0.00 C ATOM 245 CG PHE A 18 3.799 -7.213 3.697 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.795 -6.232 3.724 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.154 -8.568 3.652 1.00 0.00 C ATOM 248 CE1 PHE A 18 6.143 -6.606 3.706 1.00 0.00 C ATOM 249 CE2 PHE A 18 5.505 -8.936 3.633 1.00 0.00 C ATOM 250 CZ PHE A 18 6.497 -7.949 3.660 1.00 0.00 C ATOM 0 H PHE A 18 -0.194 -7.142 4.714 1.00 0.00 H new ATOM 0 HA PHE A 18 2.561 -7.077 5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.745 -7.546 3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.211 -5.857 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.524 -5.187 3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.386 -9.328 3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.912 -5.848 3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.781 -9.980 3.598 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.539 -8.232 3.645 1.00 0.00 H new ATOM 260 N LYS A 19 2.298 -4.685 6.471 1.00 0.00 N ATOM 261 CA LYS A 19 2.133 -3.288 6.865 1.00 0.00 C ATOM 262 C LYS A 19 2.987 -2.391 5.989 1.00 0.00 C ATOM 263 O LYS A 19 4.198 -2.303 6.180 1.00 0.00 O ATOM 264 CB LYS A 19 2.542 -3.080 8.326 1.00 0.00 C ATOM 265 CG LYS A 19 2.380 -1.595 8.698 1.00 0.00 C ATOM 266 CD LYS A 19 2.725 -1.381 10.165 1.00 0.00 C ATOM 267 CE LYS A 19 2.529 0.096 10.511 1.00 0.00 C ATOM 268 NZ LYS A 19 2.937 0.331 11.924 1.00 0.00 N ATOM 0 H LYS A 19 3.023 -5.190 6.981 1.00 0.00 H new ATOM 0 HA LYS A 19 1.080 -3.032 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.926 -3.699 8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.576 -3.392 8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.028 -0.983 8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.356 -1.274 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.090 -2.003 10.796 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.756 -1.679 10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.121 0.720 9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.486 0.379 10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.804 1.335 12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.354 -0.254 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.938 0.076 12.043 1.00 0.00 H new ATOM 282 N LEU A 20 2.349 -1.696 5.053 1.00 0.00 N ATOM 283 CA LEU A 20 3.064 -0.775 4.177 1.00 0.00 C ATOM 284 C LEU A 20 2.918 0.631 4.751 1.00 0.00 C ATOM 285 O LEU A 20 1.951 1.330 4.465 1.00 0.00 O ATOM 286 CB LEU A 20 2.497 -0.819 2.748 1.00 0.00 C ATOM 287 CG LEU A 20 2.205 -2.270 2.315 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.276 -2.255 1.103 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.510 -2.971 1.923 1.00 0.00 C ATOM 0 H LEU A 20 1.345 -1.752 4.882 1.00 0.00 H new ATOM 0 HA LEU A 20 4.114 -1.063 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.582 -0.229 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.207 -0.365 2.057 1.00 0.00 H new ATOM 0 HG LEU A 20 1.738 -2.802 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.066 -3.279 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.343 -1.757 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.755 -1.718 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.295 -3.995 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.976 -2.436 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.188 -2.981 2.776 1.00 0.00 H new ATOM 301 N SER A 21 3.874 1.017 5.586 1.00 0.00 N ATOM 302 CA SER A 21 3.838 2.319 6.231 1.00 0.00 C ATOM 303 C SER A 21 3.974 3.437 5.211 1.00 0.00 C ATOM 304 O SER A 21 4.975 3.528 4.501 1.00 0.00 O ATOM 305 CB SER A 21 4.982 2.413 7.241 1.00 0.00 C ATOM 306 OG SER A 21 5.212 3.778 7.569 1.00 0.00 O ATOM 0 H SER A 21 4.683 0.446 5.831 1.00 0.00 H new ATOM 0 HA SER A 21 2.879 2.429 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.735 1.848 8.140 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.887 1.970 6.825 1.00 0.00 H new ATOM 0 HG SER A 21 5.944 3.840 8.218 1.00 0.00 H new ATOM 312 N ILE A 22 2.966 4.302 5.155 1.00 0.00 N ATOM 313 CA ILE A 22 2.992 5.418 4.230 1.00 0.00 C ATOM 314 C ILE A 22 3.821 6.539 4.859 1.00 0.00 C ATOM 315 O ILE A 22 3.503 6.997 5.956 1.00 0.00 O ATOM 316 CB ILE A 22 1.558 5.940 3.982 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.506 4.812 4.059 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.489 6.593 2.609 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.745 3.712 3.021 1.00 0.00 C ATOM 0 H ILE A 22 2.130 4.249 5.736 1.00 0.00 H new ATOM 0 HA ILE A 22 3.423 5.097 3.281 1.00 0.00 H new ATOM 0 HB ILE A 22 1.331 6.663 4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.521 4.374 5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.487 5.236 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.479 6.962 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.192 7.425 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.747 5.860 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.023 2.945 3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.703 4.141 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.726 3.266 3.183 1.00 0.00 H new ATOM 331 N THR A 23 4.869 6.999 4.176 1.00 0.00 N ATOM 332 CA THR A 23 5.685 8.084 4.724 1.00 0.00 C ATOM 333 C THR A 23 5.181 9.418 4.187 1.00 0.00 C ATOM 334 O THR A 23 5.271 9.690 2.996 1.00 0.00 O ATOM 335 CB THR A 23 7.154 7.895 4.339 1.00 0.00 C ATOM 336 OG1 THR A 23 7.667 6.731 4.973 1.00 0.00 O ATOM 337 CG2 THR A 23 7.968 9.114 4.779 1.00 0.00 C ATOM 0 H THR A 23 5.168 6.649 3.266 1.00 0.00 H new ATOM 0 HA THR A 23 5.605 8.072 5.811 1.00 0.00 H new ATOM 0 HB THR A 23 7.228 7.784 3.257 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.607 6.610 4.724 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.013 8.973 4.502 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.580 10.007 4.289 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.892 9.231 5.860 1.00 0.00 H new ATOM 345 N LYS A 24 4.644 10.244 5.075 1.00 0.00 N ATOM 346 CA LYS A 24 4.118 11.547 4.677 1.00 0.00 C ATOM 347 C LYS A 24 5.049 12.226 3.682 1.00 0.00 C ATOM 348 O LYS A 24 6.103 12.747 4.045 1.00 0.00 O ATOM 349 CB LYS A 24 3.958 12.422 5.923 1.00 0.00 C ATOM 350 CG LYS A 24 2.910 11.793 6.881 1.00 0.00 C ATOM 351 CD LYS A 24 3.368 11.927 8.341 1.00 0.00 C ATOM 352 CE LYS A 24 4.366 10.807 8.674 1.00 0.00 C ATOM 353 NZ LYS A 24 4.831 10.953 10.082 1.00 0.00 N ATOM 0 H LYS A 24 4.560 10.039 6.071 1.00 0.00 H new ATOM 0 HA LYS A 24 3.151 11.407 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.916 12.522 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.644 13.425 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.946 12.285 6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.767 10.741 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.832 12.900 8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.508 11.872 9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.895 9.834 8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.216 10.850 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.506 10.194 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.296 11.876 10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.016 10.891 10.725 1.00 0.00 H new ATOM 367 N GLN A 25 4.635 12.219 2.422 1.00 0.00 N ATOM 368 CA GLN A 25 5.410 12.834 1.353 1.00 0.00 C ATOM 369 C GLN A 25 5.081 14.316 1.255 1.00 0.00 C ATOM 370 O GLN A 25 4.137 14.791 1.884 1.00 0.00 O ATOM 371 CB GLN A 25 5.065 12.174 0.019 1.00 0.00 C ATOM 372 CG GLN A 25 5.596 10.741 -0.024 1.00 0.00 C ATOM 373 CD GLN A 25 5.296 10.124 -1.386 1.00 0.00 C ATOM 374 OE1 GLN A 25 4.693 8.970 -1.451 1.00 0.00 O flip ATOM 375 NE2 GLN A 25 5.620 10.711 -2.417 1.00 0.00 N flip ATOM 0 H GLN A 25 3.762 11.792 2.114 1.00 0.00 H new ATOM 0 HA GLN A 25 6.469 12.704 1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.984 12.172 -0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.493 12.751 -0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.670 10.735 0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.134 10.148 0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.092 11.614 -2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.417 10.295 -3.326 1.00 0.00 H new ATOM 384 N ASP A 26 5.840 15.042 0.444 1.00 0.00 N ATOM 385 CA ASP A 26 5.573 16.460 0.264 1.00 0.00 C ATOM 386 C ASP A 26 4.178 16.616 -0.324 1.00 0.00 C ATOM 387 O ASP A 26 3.940 16.268 -1.480 1.00 0.00 O ATOM 388 CB ASP A 26 6.609 17.082 -0.673 1.00 0.00 C ATOM 389 CG ASP A 26 7.969 17.126 0.016 1.00 0.00 C ATOM 390 OD1 ASP A 26 8.009 16.907 1.215 1.00 0.00 O ATOM 391 OD2 ASP A 26 8.951 17.371 -0.663 1.00 0.00 O ATOM 0 H ASP A 26 6.630 14.680 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 26 5.634 16.971 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.676 16.501 -1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.301 18.089 -0.954 1.00 0.00 H new ATOM 396 N ASP A 27 3.248 17.105 0.487 1.00 0.00 N ATOM 397 CA ASP A 27 1.876 17.260 0.032 1.00 0.00 C ATOM 398 C ASP A 27 1.812 18.222 -1.147 1.00 0.00 C ATOM 399 O ASP A 27 2.548 19.207 -1.196 1.00 0.00 O ATOM 400 CB ASP A 27 0.991 17.757 1.183 1.00 0.00 C ATOM 401 CG ASP A 27 1.269 16.932 2.435 1.00 0.00 C ATOM 402 OD1 ASP A 27 1.894 15.893 2.306 1.00 0.00 O ATOM 403 OD2 ASP A 27 0.846 17.346 3.501 1.00 0.00 O ATOM 0 H ASP A 27 3.417 17.397 1.450 1.00 0.00 H new ATOM 0 HA ASP A 27 1.505 16.290 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.189 18.811 1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.061 17.676 0.908 1.00 0.00 H new ATOM 408 N GLY A 28 0.937 17.919 -2.106 1.00 0.00 N ATOM 409 CA GLY A 28 0.794 18.754 -3.291 1.00 0.00 C ATOM 410 C GLY A 28 0.853 20.225 -2.917 1.00 0.00 C ATOM 411 O GLY A 28 1.855 20.900 -3.147 1.00 0.00 O ATOM 0 H GLY A 28 0.322 17.106 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.585 18.522 -4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.153 18.536 -3.784 1.00 0.00 H new ATOM 415 N GLY A 29 -0.227 20.707 -2.323 1.00 0.00 N ATOM 416 CA GLY A 29 -0.297 22.098 -1.901 1.00 0.00 C ATOM 417 C GLY A 29 -1.398 22.306 -0.865 1.00 0.00 C ATOM 418 O GLY A 29 -1.768 23.442 -0.569 1.00 0.00 O ATOM 0 H GLY A 29 -1.064 20.159 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.662 22.402 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.483 22.734 -2.766 1.00 0.00 H new ATOM 422 N ALA A 30 -1.922 21.209 -0.313 1.00 0.00 N ATOM 423 CA ALA A 30 -2.979 21.308 0.685 1.00 0.00 C ATOM 424 C ALA A 30 -3.039 20.027 1.520 1.00 0.00 C ATOM 425 O ALA A 30 -2.573 18.979 1.070 1.00 0.00 O ATOM 426 CB ALA A 30 -4.321 21.553 -0.017 1.00 0.00 C ATOM 0 H ALA A 30 -1.634 20.257 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.768 22.143 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.113 21.627 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.270 22.481 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.535 20.725 -0.692 1.00 0.00 H new ATOM 432 N PRO A 31 -3.604 20.064 2.709 1.00 0.00 N ATOM 433 CA PRO A 31 -3.699 18.841 3.556 1.00 0.00 C ATOM 434 C PRO A 31 -4.433 17.719 2.821 1.00 0.00 C ATOM 435 O PRO A 31 -5.388 17.969 2.090 1.00 0.00 O ATOM 436 CB PRO A 31 -4.481 19.293 4.808 1.00 0.00 C ATOM 437 CG PRO A 31 -4.383 20.788 4.832 1.00 0.00 C ATOM 438 CD PRO A 31 -4.201 21.240 3.380 1.00 0.00 C ATOM 0 HA PRO A 31 -2.718 18.438 3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.521 18.970 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.056 18.859 5.713 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.282 21.228 5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.542 21.111 5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.153 21.517 2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.549 22.111 3.312 1.00 0.00 H new ATOM 446 N ILE A 32 -3.967 16.490 3.007 1.00 0.00 N ATOM 447 CA ILE A 32 -4.582 15.346 2.341 1.00 0.00 C ATOM 448 C ILE A 32 -5.793 14.837 3.121 1.00 0.00 C ATOM 449 O ILE A 32 -5.684 14.454 4.287 1.00 0.00 O ATOM 450 CB ILE A 32 -3.540 14.222 2.191 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.508 14.601 1.083 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.258 12.899 1.833 1.00 0.00 C ATOM 453 CD1 ILE A 32 -1.075 14.417 1.595 1.00 0.00 C ATOM 0 H ILE A 32 -3.174 16.260 3.606 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.928 15.662 1.357 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.005 14.091 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.668 13.980 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.660 15.636 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.521 12.103 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.960 12.640 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.799 13.021 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.370 14.686 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.913 15.058 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.921 13.376 1.879 1.00 0.00 H new ATOM 465 N LEU A 33 -6.938 14.820 2.455 1.00 0.00 N ATOM 466 CA LEU A 33 -8.168 14.339 3.074 1.00 0.00 C ATOM 467 C LEU A 33 -8.071 12.842 3.349 1.00 0.00 C ATOM 468 O LEU A 33 -8.494 12.363 4.402 1.00 0.00 O ATOM 469 CB LEU A 33 -9.355 14.611 2.145 1.00 0.00 C ATOM 470 CG LEU A 33 -9.543 16.123 1.956 1.00 0.00 C ATOM 471 CD1 LEU A 33 -10.569 16.362 0.847 1.00 0.00 C ATOM 472 CD2 LEU A 33 -10.032 16.779 3.262 1.00 0.00 C ATOM 0 H LEU A 33 -7.043 15.132 1.490 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.314 14.865 4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.187 14.134 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.262 14.174 2.563 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.586 16.568 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.709 17.434 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.211 15.917 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.519 15.906 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.159 17.850 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.986 16.340 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.298 16.612 4.050 1.00 0.00 H new ATOM 484 N GLU A 34 -7.518 12.104 2.388 1.00 0.00 N ATOM 485 CA GLU A 34 -7.377 10.657 2.525 1.00 0.00 C ATOM 486 C GLU A 34 -6.382 10.102 1.516 1.00 0.00 C ATOM 487 O GLU A 34 -6.057 10.747 0.517 1.00 0.00 O ATOM 488 CB GLU A 34 -8.727 9.968 2.292 1.00 0.00 C ATOM 489 CG GLU A 34 -9.385 10.477 0.975 1.00 0.00 C ATOM 490 CD GLU A 34 -10.791 11.021 1.237 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.701 10.220 1.372 1.00 0.00 O ATOM 492 OE2 GLU A 34 -10.933 12.231 1.301 1.00 0.00 O ATOM 0 H GLU A 34 -7.162 12.483 1.510 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.018 10.460 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.586 8.888 2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.390 10.163 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.766 11.258 0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.435 9.663 0.252 1.00 0.00 H new ATOM 499 N TYR A 35 -5.924 8.880 1.779 1.00 0.00 N ATOM 500 CA TYR A 35 -4.984 8.194 0.896 1.00 0.00 C ATOM 501 C TYR A 35 -5.697 7.070 0.155 1.00 0.00 C ATOM 502 O TYR A 35 -6.120 6.083 0.761 1.00 0.00 O ATOM 503 CB TYR A 35 -3.839 7.600 1.731 1.00 0.00 C ATOM 504 CG TYR A 35 -2.780 8.641 2.005 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.126 9.826 2.654 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.456 8.411 1.620 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.146 10.791 2.919 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.474 9.374 1.885 1.00 0.00 C ATOM 509 CZ TYR A 35 -0.819 10.564 2.533 1.00 0.00 C ATOM 510 OH TYR A 35 0.150 11.513 2.796 1.00 0.00 O ATOM 0 H TYR A 35 -6.191 8.341 2.603 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.585 8.908 0.175 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.231 7.216 2.673 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.397 6.756 1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.149 10.000 2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.191 7.492 1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.413 11.709 3.421 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.549 9.197 1.589 1.00 0.00 H new ATOM 0 HH TYR A 35 1.016 11.197 2.463 1.00 0.00 H new ATOM 520 N ILE A 36 -5.799 7.207 -1.159 1.00 0.00 N ATOM 521 CA ILE A 36 -6.426 6.183 -1.976 1.00 0.00 C ATOM 522 C ILE A 36 -5.359 5.174 -2.369 1.00 0.00 C ATOM 523 O ILE A 36 -4.400 5.512 -3.063 1.00 0.00 O ATOM 524 CB ILE A 36 -7.036 6.811 -3.228 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.084 7.846 -2.814 1.00 0.00 C ATOM 526 CG2 ILE A 36 -7.703 5.721 -4.069 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.491 8.677 -4.031 1.00 0.00 C ATOM 0 H ILE A 36 -5.456 8.015 -1.679 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.223 5.692 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.254 7.295 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.957 7.347 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.682 8.495 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.139 6.167 -4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.959 4.979 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.487 5.239 -3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.238 9.414 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.616 9.188 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.910 8.022 -4.795 1.00 0.00 H new ATOM 539 N VAL A 37 -5.508 3.950 -1.883 1.00 0.00 N ATOM 540 CA VAL A 37 -4.536 2.893 -2.141 1.00 0.00 C ATOM 541 C VAL A 37 -5.155 1.773 -2.958 1.00 0.00 C ATOM 542 O VAL A 37 -6.228 1.267 -2.620 1.00 0.00 O ATOM 543 CB VAL A 37 -4.060 2.346 -0.795 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.036 1.228 -1.025 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.443 3.496 0.036 1.00 0.00 C ATOM 0 H VAL A 37 -6.297 3.662 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.700 3.300 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.904 1.930 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.699 0.840 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.497 0.424 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.183 1.624 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.103 3.109 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.597 3.922 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.194 4.269 0.202 1.00 0.00 H new ATOM 555 N LYS A 38 -4.476 1.384 -4.035 1.00 0.00 N ATOM 556 CA LYS A 38 -4.968 0.314 -4.900 1.00 0.00 C ATOM 557 C LYS A 38 -3.909 -0.771 -5.050 1.00 0.00 C ATOM 558 O LYS A 38 -2.735 -0.480 -5.247 1.00 0.00 O ATOM 559 CB LYS A 38 -5.325 0.880 -6.273 1.00 0.00 C ATOM 560 CG LYS A 38 -6.477 1.876 -6.116 1.00 0.00 C ATOM 561 CD LYS A 38 -6.820 2.494 -7.476 1.00 0.00 C ATOM 562 CE LYS A 38 -7.672 1.524 -8.307 1.00 0.00 C ATOM 563 NZ LYS A 38 -8.279 2.259 -9.453 1.00 0.00 N ATOM 0 H LYS A 38 -3.588 1.791 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.859 -0.122 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.459 1.373 -6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.613 0.075 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.352 1.372 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.199 2.659 -5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.360 3.430 -7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.903 2.735 -8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.056 0.702 -8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.453 1.085 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.857 1.605 -10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.879 3.029 -9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.525 2.657 -10.048 1.00 0.00 H new ATOM 577 N TYR A 39 -4.334 -2.027 -4.959 1.00 0.00 N ATOM 578 CA TYR A 39 -3.413 -3.155 -5.088 1.00 0.00 C ATOM 579 C TYR A 39 -4.057 -4.281 -5.884 1.00 0.00 C ATOM 580 O TYR A 39 -5.280 -4.387 -5.957 1.00 0.00 O ATOM 581 CB TYR A 39 -3.000 -3.660 -3.703 1.00 0.00 C ATOM 582 CG TYR A 39 -4.222 -4.031 -2.894 1.00 0.00 C ATOM 583 CD1 TYR A 39 -4.977 -3.032 -2.271 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.591 -5.377 -2.756 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.101 -3.376 -1.514 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.715 -5.720 -1.994 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.470 -4.718 -1.374 1.00 0.00 C ATOM 588 OH TYR A 39 -7.576 -5.053 -0.620 1.00 0.00 O ATOM 0 H TYR A 39 -5.306 -2.291 -4.797 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.524 -2.817 -5.621 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.346 -4.526 -3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.431 -2.890 -3.182 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.692 -1.995 -2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.009 -6.149 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.686 -2.604 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.999 -6.756 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.694 -6.026 -0.626 1.00 0.00 H new ATOM 598 N ARG A 40 -3.219 -5.112 -6.489 1.00 0.00 N ATOM 599 CA ARG A 40 -3.696 -6.233 -7.294 1.00 0.00 C ATOM 600 C ARG A 40 -2.698 -7.382 -7.247 1.00 0.00 C ATOM 601 O ARG A 40 -1.641 -7.270 -6.626 1.00 0.00 O ATOM 602 CB ARG A 40 -3.884 -5.797 -8.749 1.00 0.00 C ATOM 603 CG ARG A 40 -2.559 -5.249 -9.329 1.00 0.00 C ATOM 604 CD ARG A 40 -2.488 -5.537 -10.832 1.00 0.00 C ATOM 605 NE ARG A 40 -1.242 -5.013 -11.386 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.704 -5.523 -12.492 1.00 0.00 C ATOM 607 NH1 ARG A 40 -1.245 -6.563 -13.063 1.00 0.00 N ATOM 608 NH2 ARG A 40 0.376 -4.993 -12.993 1.00 0.00 N ATOM 0 H ARG A 40 -2.203 -5.032 -6.439 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.650 -6.564 -6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.227 -6.642 -9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.657 -5.031 -8.808 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.491 -4.176 -9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.712 -5.710 -8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.550 -6.611 -11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.340 -5.082 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.774 -4.239 -10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.082 -6.987 -12.662 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.832 -6.952 -13.910 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.808 -4.189 -12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.789 -5.382 -13.840 1.00 0.00 H new ATOM 622 N SER A 41 -3.024 -8.477 -7.925 1.00 0.00 N ATOM 623 CA SER A 41 -2.131 -9.630 -7.975 1.00 0.00 C ATOM 624 C SER A 41 -1.197 -9.523 -9.180 1.00 0.00 C ATOM 625 O SER A 41 -1.612 -9.097 -10.259 1.00 0.00 O ATOM 626 CB SER A 41 -2.953 -10.913 -8.081 1.00 0.00 C ATOM 627 OG SER A 41 -3.242 -11.175 -9.450 1.00 0.00 O ATOM 0 H SER A 41 -3.894 -8.591 -8.445 1.00 0.00 H new ATOM 0 HA SER A 41 -1.534 -9.652 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.403 -11.748 -7.647 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.879 -10.813 -7.515 1.00 0.00 H new ATOM 0 HG SER A 41 -3.768 -11.999 -9.521 1.00 0.00 H new ATOM 633 N LYS A 42 0.064 -9.908 -8.996 1.00 0.00 N ATOM 634 CA LYS A 42 1.035 -9.844 -10.089 1.00 0.00 C ATOM 635 C LYS A 42 0.731 -10.861 -11.193 1.00 0.00 C ATOM 636 O LYS A 42 1.149 -10.675 -12.336 1.00 0.00 O ATOM 637 CB LYS A 42 2.470 -10.065 -9.568 1.00 0.00 C ATOM 638 CG LYS A 42 2.990 -8.785 -8.905 1.00 0.00 C ATOM 639 CD LYS A 42 4.482 -8.923 -8.592 1.00 0.00 C ATOM 640 CE LYS A 42 5.027 -7.581 -8.102 1.00 0.00 C ATOM 641 NZ LYS A 42 6.496 -7.696 -7.874 1.00 0.00 N ATOM 0 H LYS A 42 0.435 -10.263 -8.115 1.00 0.00 H new ATOM 0 HA LYS A 42 0.955 -8.844 -10.516 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.483 -10.886 -8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.125 -10.350 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.826 -7.932 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.435 -8.590 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.636 -9.689 -7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.023 -9.244 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.822 -6.803 -8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.527 -7.288 -7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.868 -6.784 -7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.680 -8.427 -7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.966 -7.957 -8.764 1.00 0.00 H new ATOM 655 N ASP A 43 0.034 -11.941 -10.857 1.00 0.00 N ATOM 656 CA ASP A 43 -0.266 -12.968 -11.852 1.00 0.00 C ATOM 657 C ASP A 43 -1.104 -12.413 -12.994 1.00 0.00 C ATOM 658 O ASP A 43 -0.967 -12.851 -14.137 1.00 0.00 O ATOM 659 CB ASP A 43 -1.000 -14.148 -11.213 1.00 0.00 C ATOM 660 CG ASP A 43 -1.285 -15.210 -12.266 1.00 0.00 C ATOM 661 OD1 ASP A 43 -0.358 -15.915 -12.632 1.00 0.00 O ATOM 662 OD2 ASP A 43 -2.424 -15.306 -12.691 1.00 0.00 O ATOM 0 H ASP A 43 -0.329 -12.128 -9.922 1.00 0.00 H new ATOM 0 HA ASP A 43 0.688 -13.310 -12.254 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.397 -14.572 -10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.933 -13.808 -10.765 1.00 0.00 H new ATOM 667 N LYS A 44 -1.988 -11.465 -12.696 1.00 0.00 N ATOM 668 CA LYS A 44 -2.838 -10.906 -13.739 1.00 0.00 C ATOM 669 C LYS A 44 -3.392 -9.535 -13.363 1.00 0.00 C ATOM 670 O LYS A 44 -3.076 -8.972 -12.316 1.00 0.00 O ATOM 671 CB LYS A 44 -4.003 -11.861 -14.004 1.00 0.00 C ATOM 672 CG LYS A 44 -4.765 -12.096 -12.697 1.00 0.00 C ATOM 673 CD LYS A 44 -5.943 -13.052 -12.932 1.00 0.00 C ATOM 674 CE LYS A 44 -5.448 -14.502 -13.034 1.00 0.00 C ATOM 675 NZ LYS A 44 -6.613 -15.424 -12.919 1.00 0.00 N ATOM 0 H LYS A 44 -2.132 -11.076 -11.764 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.225 -10.782 -14.632 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.669 -11.441 -14.758 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.632 -12.807 -14.398 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.093 -12.513 -11.946 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.131 -11.147 -12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.660 -12.963 -12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.466 -12.775 -13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.937 -14.659 -13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.725 -14.709 -12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.285 -16.408 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.082 -15.278 -12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.287 -15.230 -13.687 1.00 0.00 H new ATOM 689 N GLU A 45 -4.246 -9.037 -14.248 1.00 0.00 N ATOM 690 CA GLU A 45 -4.915 -7.755 -14.082 1.00 0.00 C ATOM 691 C GLU A 45 -6.332 -7.897 -14.623 1.00 0.00 C ATOM 692 O GLU A 45 -6.535 -8.266 -15.778 1.00 0.00 O ATOM 693 CB GLU A 45 -4.153 -6.651 -14.832 1.00 0.00 C ATOM 694 CG GLU A 45 -4.302 -6.819 -16.347 1.00 0.00 C ATOM 695 CD GLU A 45 -3.305 -5.913 -17.063 1.00 0.00 C ATOM 696 OE1 GLU A 45 -2.128 -6.231 -17.053 1.00 0.00 O ATOM 697 OE2 GLU A 45 -3.734 -4.908 -17.608 1.00 0.00 O ATOM 0 H GLU A 45 -4.496 -9.519 -15.112 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.943 -7.474 -13.029 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.531 -5.674 -14.531 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.098 -6.682 -14.560 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.130 -7.858 -16.626 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.319 -6.571 -16.652 1.00 0.00 H new ATOM 704 N ASP A 46 -7.310 -7.635 -13.775 1.00 0.00 N ATOM 705 CA ASP A 46 -8.695 -7.756 -14.159 1.00 0.00 C ATOM 706 C ASP A 46 -9.523 -6.969 -13.179 1.00 0.00 C ATOM 707 O ASP A 46 -10.617 -7.391 -12.811 1.00 0.00 O ATOM 708 CB ASP A 46 -9.126 -9.223 -14.160 1.00 0.00 C ATOM 709 CG ASP A 46 -8.480 -9.958 -15.332 1.00 0.00 C ATOM 710 OD1 ASP A 46 -8.503 -9.422 -16.427 1.00 0.00 O ATOM 711 OD2 ASP A 46 -7.966 -11.044 -15.114 1.00 0.00 O ATOM 0 H ASP A 46 -7.164 -7.336 -12.811 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.836 -7.368 -15.168 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.838 -9.696 -13.221 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.212 -9.291 -14.231 1.00 0.00 H new ATOM 716 N GLN A 47 -8.950 -5.820 -12.785 1.00 0.00 N ATOM 717 CA GLN A 47 -9.541 -4.858 -11.844 1.00 0.00 C ATOM 718 C GLN A 47 -8.703 -4.751 -10.578 1.00 0.00 C ATOM 719 O GLN A 47 -8.388 -5.746 -9.925 1.00 0.00 O ATOM 720 CB GLN A 47 -11.003 -5.160 -11.486 1.00 0.00 C ATOM 721 CG GLN A 47 -11.867 -4.899 -12.726 1.00 0.00 C ATOM 722 CD GLN A 47 -13.316 -5.297 -12.467 1.00 0.00 C ATOM 723 OE1 GLN A 47 -13.644 -5.848 -11.331 1.00 0.00 O flip ATOM 724 NE2 GLN A 47 -14.171 -5.109 -13.330 1.00 0.00 N flip ATOM 0 H GLN A 47 -8.034 -5.527 -13.124 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.541 -3.900 -12.365 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.108 -6.195 -11.161 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.329 -4.531 -10.657 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.817 -3.844 -12.995 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.476 -5.462 -13.573 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.913 -4.678 -14.218 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.138 -5.384 -13.158 1.00 0.00 H new ATOM 733 N TRP A 48 -8.342 -3.517 -10.263 1.00 0.00 N ATOM 734 CA TRP A 48 -7.526 -3.209 -9.100 1.00 0.00 C ATOM 735 C TRP A 48 -8.396 -3.002 -7.867 1.00 0.00 C ATOM 736 O TRP A 48 -9.412 -2.309 -7.921 1.00 0.00 O ATOM 737 CB TRP A 48 -6.756 -1.922 -9.394 1.00 0.00 C ATOM 738 CG TRP A 48 -5.579 -2.213 -10.266 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.621 -2.651 -11.546 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.183 -2.084 -9.921 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.320 -2.785 -12.009 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.397 -2.445 -11.035 1.00 0.00 C ATOM 743 CE3 TRP A 48 -3.536 -1.683 -8.748 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.003 -2.406 -10.986 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.143 -1.643 -8.685 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.369 -2.003 -9.802 1.00 0.00 C ATOM 0 H TRP A 48 -8.608 -2.698 -10.809 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.846 -4.038 -8.902 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.411 -1.201 -9.884 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.423 -1.468 -8.461 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.517 -2.861 -12.112 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.074 -3.095 -12.949 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.120 -1.402 -7.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.419 -2.683 -11.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.656 -1.333 -7.772 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.291 -1.969 -9.748 1.00 0.00 H new ATOM 757 N LEU A 49 -7.973 -3.584 -6.754 1.00 0.00 N ATOM 758 CA LEU A 49 -8.702 -3.437 -5.503 1.00 0.00 C ATOM 759 C LEU A 49 -8.501 -2.023 -4.971 1.00 0.00 C ATOM 760 O LEU A 49 -7.575 -1.337 -5.388 1.00 0.00 O ATOM 761 CB LEU A 49 -8.214 -4.471 -4.483 1.00 0.00 C ATOM 762 CG LEU A 49 -8.351 -5.881 -5.077 1.00 0.00 C ATOM 763 CD1 LEU A 49 -7.824 -6.914 -4.074 1.00 0.00 C ATOM 764 CD2 LEU A 49 -9.829 -6.181 -5.398 1.00 0.00 C ATOM 0 H LEU A 49 -7.133 -4.159 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.765 -3.607 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.175 -4.275 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.796 -4.394 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.770 -5.936 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.922 -7.914 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.775 -6.711 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.401 -6.852 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.914 -7.183 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.420 -6.120 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.200 -5.452 -6.119 1.00 0.00 H new ATOM 776 N GLU A 50 -9.393 -1.574 -4.087 1.00 0.00 N ATOM 777 CA GLU A 50 -9.311 -0.214 -3.535 1.00 0.00 C ATOM 778 C GLU A 50 -9.202 -0.232 -2.012 1.00 0.00 C ATOM 779 O GLU A 50 -9.692 -1.147 -1.351 1.00 0.00 O ATOM 780 CB GLU A 50 -10.561 0.569 -3.930 1.00 0.00 C ATOM 781 CG GLU A 50 -10.556 0.828 -5.438 1.00 0.00 C ATOM 782 CD GLU A 50 -11.832 1.559 -5.844 1.00 0.00 C ATOM 783 OE1 GLU A 50 -12.691 1.723 -4.995 1.00 0.00 O ATOM 784 OE2 GLU A 50 -11.931 1.940 -6.998 1.00 0.00 O ATOM 0 H GLU A 50 -10.177 -2.125 -3.737 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.416 0.259 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.454 0.010 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.595 1.515 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.684 1.422 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.480 -0.116 -5.978 1.00 0.00 H new ATOM 791 N LYS A 51 -8.560 0.802 -1.465 1.00 0.00 N ATOM 792 CA LYS A 51 -8.389 0.922 -0.020 1.00 0.00 C ATOM 793 C LYS A 51 -8.181 2.394 0.350 1.00 0.00 C ATOM 794 O LYS A 51 -7.168 2.993 0.000 1.00 0.00 O ATOM 795 CB LYS A 51 -7.201 0.034 0.422 1.00 0.00 C ATOM 796 CG LYS A 51 -6.698 0.350 1.859 1.00 0.00 C ATOM 797 CD LYS A 51 -7.414 -0.533 2.903 1.00 0.00 C ATOM 798 CE LYS A 51 -8.900 -0.153 3.015 1.00 0.00 C ATOM 799 NZ LYS A 51 -9.372 -0.405 4.406 1.00 0.00 N ATOM 0 H LYS A 51 -8.151 1.567 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.280 0.576 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.500 -1.013 0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.378 0.164 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.622 0.186 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.873 1.402 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.323 -1.582 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.931 -0.420 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.039 0.897 2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.490 -0.736 2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.377 -0.148 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.253 -1.412 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.816 0.170 5.071 1.00 0.00 H new ATOM 813 N LYS A 52 -9.145 2.966 1.068 1.00 0.00 N ATOM 814 CA LYS A 52 -9.056 4.371 1.484 1.00 0.00 C ATOM 815 C LYS A 52 -8.423 4.454 2.872 1.00 0.00 C ATOM 816 O LYS A 52 -8.657 3.583 3.713 1.00 0.00 O ATOM 817 CB LYS A 52 -10.457 4.992 1.541 1.00 0.00 C ATOM 818 CG LYS A 52 -11.263 4.647 0.280 1.00 0.00 C ATOM 819 CD LYS A 52 -10.682 5.334 -0.962 1.00 0.00 C ATOM 820 CE LYS A 52 -11.526 4.953 -2.179 1.00 0.00 C ATOM 821 NZ LYS A 52 -10.977 5.613 -3.399 1.00 0.00 N ATOM 0 H LYS A 52 -9.992 2.486 1.374 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.446 4.914 0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.984 4.630 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.375 6.074 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.266 3.567 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.301 4.953 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.680 6.416 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.646 5.030 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.527 3.871 -2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.562 5.256 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.761 5.932 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.399 6.432 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.388 4.936 -3.925 1.00 0.00 H new ATOM 835 N VAL A 53 -7.618 5.494 3.117 1.00 0.00 N ATOM 836 CA VAL A 53 -6.970 5.648 4.421 1.00 0.00 C ATOM 837 C VAL A 53 -6.992 7.109 4.870 1.00 0.00 C ATOM 838 O VAL A 53 -7.002 8.027 4.055 1.00 0.00 O ATOM 839 CB VAL A 53 -5.524 5.116 4.374 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.098 4.638 5.759 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.423 3.961 3.373 1.00 0.00 C ATOM 0 H VAL A 53 -7.403 6.228 2.442 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.529 5.061 5.150 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.862 5.922 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.075 4.264 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.151 5.469 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.763 3.840 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.398 3.591 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.091 3.156 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.708 4.313 2.381 1.00 0.00 H new ATOM 851 N GLN A 54 -7.019 7.297 6.179 1.00 0.00 N ATOM 852 CA GLN A 54 -7.057 8.628 6.778 1.00 0.00 C ATOM 853 C GLN A 54 -5.755 9.389 6.535 1.00 0.00 C ATOM 854 O GLN A 54 -4.666 8.813 6.571 1.00 0.00 O ATOM 855 CB GLN A 54 -7.324 8.487 8.280 1.00 0.00 C ATOM 856 CG GLN A 54 -7.388 9.866 8.933 1.00 0.00 C ATOM 857 CD GLN A 54 -7.874 9.742 10.371 1.00 0.00 C ATOM 858 OE1 GLN A 54 -8.634 8.831 10.697 1.00 0.00 O ATOM 859 NE2 GLN A 54 -7.462 10.601 11.261 1.00 0.00 N ATOM 0 H GLN A 54 -7.015 6.536 6.858 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.857 9.202 6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.262 7.955 8.442 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.536 7.893 8.743 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.403 10.333 8.913 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.059 10.513 8.369 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.832 11.355 10.988 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.770 10.519 12.230 1.00 0.00 H new ATOM 868 N GLY A 55 -5.889 10.684 6.264 1.00 0.00 N ATOM 869 CA GLY A 55 -4.738 11.542 5.984 1.00 0.00 C ATOM 870 C GLY A 55 -3.785 11.652 7.174 1.00 0.00 C ATOM 871 O GLY A 55 -2.849 12.452 7.145 1.00 0.00 O ATOM 0 H GLY A 55 -6.787 11.166 6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.196 11.148 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.089 12.537 5.711 1.00 0.00 H new ATOM 875 N ASN A 56 -4.018 10.860 8.221 1.00 0.00 N ATOM 876 CA ASN A 56 -3.159 10.899 9.415 1.00 0.00 C ATOM 877 C ASN A 56 -2.768 9.490 9.855 1.00 0.00 C ATOM 878 O ASN A 56 -1.923 9.319 10.733 1.00 0.00 O ATOM 879 CB ASN A 56 -3.890 11.606 10.559 1.00 0.00 C ATOM 880 CG ASN A 56 -2.897 12.000 11.647 1.00 0.00 C ATOM 881 OD1 ASN A 56 -3.111 11.702 12.823 1.00 0.00 O ATOM 882 ND2 ASN A 56 -1.814 12.649 11.324 1.00 0.00 N ATOM 0 H ASN A 56 -4.785 10.189 8.272 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.252 11.448 9.163 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.401 12.492 10.183 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.655 10.950 10.974 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.142 12.911 12.045 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.638 12.895 10.350 1.00 0.00 H new ATOM 889 N LYS A 57 -3.383 8.489 9.244 1.00 0.00 N ATOM 890 CA LYS A 57 -3.079 7.103 9.585 1.00 0.00 C ATOM 891 C LYS A 57 -1.633 6.765 9.224 1.00 0.00 C ATOM 892 O LYS A 57 -0.916 6.153 10.013 1.00 0.00 O ATOM 893 CB LYS A 57 -4.053 6.170 8.834 1.00 0.00 C ATOM 894 CG LYS A 57 -5.098 5.584 9.802 1.00 0.00 C ATOM 895 CD LYS A 57 -6.141 4.789 9.016 1.00 0.00 C ATOM 896 CE LYS A 57 -7.067 4.050 9.984 1.00 0.00 C ATOM 897 NZ LYS A 57 -7.539 4.987 11.042 1.00 0.00 N ATOM 0 H LYS A 57 -4.089 8.605 8.517 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.199 6.963 10.659 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.555 6.723 8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.497 5.362 8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.610 4.939 10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.582 6.386 10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.722 5.460 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.647 4.076 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.919 3.637 9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.540 3.210 10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.454 4.659 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.843 5.018 11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.650 5.939 10.638 1.00 0.00 H new ATOM 911 N ASP A 58 -1.231 7.165 8.019 1.00 0.00 N ATOM 912 CA ASP A 58 0.114 6.915 7.522 1.00 0.00 C ATOM 913 C ASP A 58 0.515 5.450 7.683 1.00 0.00 C ATOM 914 O ASP A 58 1.663 5.150 8.012 1.00 0.00 O ATOM 915 CB ASP A 58 1.136 7.821 8.220 1.00 0.00 C ATOM 916 CG ASP A 58 1.276 7.452 9.692 1.00 0.00 C ATOM 917 OD1 ASP A 58 2.048 6.555 9.988 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.607 8.072 10.503 1.00 0.00 O ATOM 0 H ASP A 58 -1.829 7.670 7.364 1.00 0.00 H new ATOM 0 HA ASP A 58 0.108 7.147 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.103 7.733 7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.826 8.862 8.130 1.00 0.00 H new ATOM 923 N HIS A 59 -0.430 4.537 7.436 1.00 0.00 N ATOM 924 CA HIS A 59 -0.156 3.099 7.546 1.00 0.00 C ATOM 925 C HIS A 59 -1.408 2.293 7.169 1.00 0.00 C ATOM 926 O HIS A 59 -2.533 2.763 7.344 1.00 0.00 O ATOM 927 CB HIS A 59 0.326 2.755 8.987 1.00 0.00 C ATOM 928 CG HIS A 59 -0.757 2.081 9.798 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.127 0.763 9.917 1.00 0.00 N flip ATOM 930 CD2 HIS A 59 -1.614 2.789 10.626 1.00 0.00 C flip ATOM 931 CE1 HIS A 59 -2.191 0.655 10.805 1.00 0.00 C flip ATOM 932 NE2 HIS A 59 -2.444 1.903 11.203 1.00 0.00 N flip ATOM 0 H HIS A 59 -1.385 4.765 7.160 1.00 0.00 H new ATOM 0 HA HIS A 59 0.640 2.830 6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.198 2.103 8.932 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.642 3.668 9.492 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.615 3.858 10.780 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.703 -0.246 11.108 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -3.178 2.154 11.865 1.00 0.00 H new ATOM 940 N ILE A 60 -1.207 1.076 6.666 1.00 0.00 N ATOM 941 CA ILE A 60 -2.332 0.210 6.287 1.00 0.00 C ATOM 942 C ILE A 60 -1.955 -1.262 6.438 1.00 0.00 C ATOM 943 O ILE A 60 -0.841 -1.673 6.110 1.00 0.00 O ATOM 944 CB ILE A 60 -2.786 0.491 4.826 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.690 1.258 4.084 1.00 0.00 C ATOM 946 CG2 ILE A 60 -4.076 1.316 4.801 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.062 1.361 2.605 1.00 0.00 C ATOM 0 H ILE A 60 -0.286 0.666 6.511 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.162 0.433 6.958 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.971 -0.466 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.573 2.254 4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.733 0.748 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.371 1.498 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.868 0.769 5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.909 2.268 5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.284 1.907 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.158 0.360 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.010 1.889 2.504 1.00 0.00 H new ATOM 959 N ILE A 61 -2.912 -2.052 6.919 1.00 0.00 N ATOM 960 CA ILE A 61 -2.708 -3.488 7.096 1.00 0.00 C ATOM 961 C ILE A 61 -3.583 -4.242 6.104 1.00 0.00 C ATOM 962 O ILE A 61 -4.777 -4.437 6.338 1.00 0.00 O ATOM 963 CB ILE A 61 -3.081 -3.890 8.531 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.361 -2.971 9.528 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.686 -5.351 8.786 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.853 -2.983 9.271 1.00 0.00 C ATOM 0 H ILE A 61 -3.837 -1.722 7.193 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.661 -3.735 6.919 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.158 -3.788 8.663 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.744 -1.954 9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.565 -3.299 10.547 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.954 -5.628 9.806 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.212 -5.998 8.084 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.611 -5.466 8.649 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.357 -2.327 9.986 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.472 -3.998 9.385 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.654 -2.633 8.258 1.00 0.00 H new ATOM 978 N LEU A 62 -2.985 -4.658 4.990 1.00 0.00 N ATOM 979 CA LEU A 62 -3.725 -5.382 3.962 1.00 0.00 C ATOM 980 C LEU A 62 -3.718 -6.865 4.273 1.00 0.00 C ATOM 981 O LEU A 62 -2.710 -7.537 4.089 1.00 0.00 O ATOM 982 CB LEU A 62 -3.069 -5.159 2.598 1.00 0.00 C ATOM 983 CG LEU A 62 -2.830 -3.666 2.374 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.078 -3.476 1.057 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.176 -2.927 2.324 1.00 0.00 C ATOM 0 H LEU A 62 -1.999 -4.507 4.778 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.751 -5.015 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.124 -5.699 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.707 -5.557 1.809 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.238 -3.259 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.903 -2.414 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.123 -3.998 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.672 -3.880 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.001 -1.863 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.778 -3.323 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.705 -3.070 3.266 1.00 0.00 H new ATOM 997 N GLU A 63 -4.852 -7.369 4.744 1.00 0.00 N ATOM 998 CA GLU A 63 -4.969 -8.780 5.082 1.00 0.00 C ATOM 999 C GLU A 63 -5.357 -9.598 3.858 1.00 0.00 C ATOM 1000 O GLU A 63 -5.634 -9.051 2.792 1.00 0.00 O ATOM 1001 CB GLU A 63 -6.044 -8.972 6.157 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.659 -8.211 7.434 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.048 -6.739 7.314 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -6.491 -6.347 6.246 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -5.901 -6.027 8.294 1.00 0.00 O ATOM 0 H GLU A 63 -5.700 -6.824 4.900 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.001 -9.119 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.005 -8.615 5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.162 -10.033 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.158 -8.657 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.586 -8.297 7.607 1.00 0.00 H new ATOM 1012 N HIS A 64 -5.393 -10.913 4.046 1.00 0.00 N ATOM 1013 CA HIS A 64 -5.771 -11.846 2.992 1.00 0.00 C ATOM 1014 C HIS A 64 -4.833 -11.774 1.791 1.00 0.00 C ATOM 1015 O HIS A 64 -5.277 -11.558 0.663 1.00 0.00 O ATOM 1016 CB HIS A 64 -7.206 -11.562 2.538 1.00 0.00 C ATOM 1017 CG HIS A 64 -8.152 -11.810 3.680 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -7.978 -11.222 4.924 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -9.289 -12.572 3.780 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -8.986 -11.636 5.712 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -9.815 -12.460 5.066 1.00 0.00 N ATOM 0 H HIS A 64 -5.161 -11.361 4.932 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.699 -12.851 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.293 -10.530 2.197 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.464 -12.200 1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.712 -13.167 2.984 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.110 -11.338 6.743 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.653 -12.910 5.434 1.00 0.00 H new ATOM 1029 N LEU A 65 -3.539 -12.002 2.028 1.00 0.00 N ATOM 1030 CA LEU A 65 -2.551 -12.008 0.949 1.00 0.00 C ATOM 1031 C LEU A 65 -2.175 -13.458 0.678 1.00 0.00 C ATOM 1032 O LEU A 65 -2.810 -14.364 1.206 1.00 0.00 O ATOM 1033 CB LEU A 65 -1.304 -11.181 1.332 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.726 -9.782 1.813 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.485 -8.893 1.958 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.698 -9.147 0.810 1.00 0.00 C ATOM 0 H LEU A 65 -3.153 -12.184 2.954 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.971 -11.550 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.746 -11.691 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.638 -11.094 0.474 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.224 -9.875 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.785 -7.902 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.197 -9.336 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.017 -8.809 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.989 -8.157 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.212 -9.058 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.585 -9.774 0.716 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.166 -13.695 -0.150 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.764 -15.069 -0.459 1.00 0.00 C ATOM 1050 C GLN A 66 0.754 -15.186 -0.549 1.00 0.00 C ATOM 1051 O GLN A 66 1.419 -14.412 -1.231 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.431 -15.519 -1.771 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.796 -16.161 -1.481 1.00 0.00 C ATOM 1054 CD GLN A 66 -3.515 -16.475 -2.789 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -2.890 -16.922 -3.751 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -4.800 -16.271 -2.879 1.00 0.00 N ATOM 0 H GLN A 66 -0.617 -12.971 -0.614 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.095 -15.724 0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.557 -14.664 -2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.788 -16.232 -2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.661 -17.075 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.403 -15.487 -0.876 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.315 -15.901 -2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.290 -16.482 -3.748 1.00 0.00 H new ATOM 1065 N TRP A 67 1.278 -16.171 0.171 1.00 0.00 N ATOM 1066 CA TRP A 67 2.713 -16.425 0.217 1.00 0.00 C ATOM 1067 C TRP A 67 3.268 -16.830 -1.153 1.00 0.00 C ATOM 1068 O TRP A 67 4.438 -16.594 -1.450 1.00 0.00 O ATOM 1069 CB TRP A 67 2.992 -17.556 1.208 1.00 0.00 C ATOM 1070 CG TRP A 67 2.352 -17.256 2.527 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.235 -17.861 2.982 1.00 0.00 C ATOM 1072 CD2 TRP A 67 2.762 -16.318 3.571 1.00 0.00 C ATOM 1073 NE1 TRP A 67 0.933 -17.367 4.235 1.00 0.00 N ATOM 1074 CE2 TRP A 67 1.845 -16.415 4.644 1.00 0.00 C ATOM 1075 CE3 TRP A 67 3.828 -15.408 3.697 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 1.979 -15.640 5.799 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 3.963 -14.627 4.857 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.043 -14.744 5.905 1.00 0.00 C ATOM 0 H TRP A 67 0.723 -16.813 0.737 1.00 0.00 H new ATOM 0 HA TRP A 67 3.203 -15.501 0.526 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.608 -18.497 0.815 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.067 -17.680 1.337 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.668 -18.611 2.451 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.133 -17.669 4.791 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.547 -15.309 2.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.264 -15.734 6.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.784 -13.930 4.941 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.157 -14.142 6.794 1.00 0.00 H new ATOM 1089 N THR A 68 2.437 -17.483 -1.963 1.00 0.00 N ATOM 1090 CA THR A 68 2.867 -17.967 -3.283 1.00 0.00 C ATOM 1091 C THR A 68 2.409 -17.046 -4.413 1.00 0.00 C ATOM 1092 O THR A 68 2.322 -17.469 -5.566 1.00 0.00 O ATOM 1093 CB THR A 68 2.279 -19.358 -3.512 1.00 0.00 C ATOM 1094 OG1 THR A 68 0.863 -19.263 -3.570 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.679 -20.272 -2.354 1.00 0.00 C ATOM 0 H THR A 68 1.465 -17.691 -1.734 1.00 0.00 H new ATOM 0 HA THR A 68 3.957 -17.991 -3.292 1.00 0.00 H new ATOM 0 HB THR A 68 2.657 -19.768 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.481 -20.153 -3.719 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.261 -21.266 -2.514 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.766 -20.339 -2.302 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.296 -19.863 -1.419 1.00 0.00 H new ATOM 1103 N MET A 69 2.104 -15.798 -4.087 1.00 0.00 N ATOM 1104 CA MET A 69 1.643 -14.843 -5.095 1.00 0.00 C ATOM 1105 C MET A 69 2.075 -13.429 -4.726 1.00 0.00 C ATOM 1106 O MET A 69 1.949 -13.014 -3.577 1.00 0.00 O ATOM 1107 CB MET A 69 0.118 -14.944 -5.198 1.00 0.00 C ATOM 1108 CG MET A 69 -0.483 -13.676 -5.809 1.00 0.00 C ATOM 1109 SD MET A 69 -2.138 -14.059 -6.424 1.00 0.00 S ATOM 1110 CE MET A 69 -1.646 -14.424 -8.124 1.00 0.00 C ATOM 0 H MET A 69 2.165 -15.421 -3.141 1.00 0.00 H new ATOM 0 HA MET A 69 2.088 -15.077 -6.062 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.151 -15.807 -5.807 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.305 -15.109 -4.207 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.531 -12.883 -5.063 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.147 -13.312 -6.621 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.530 -14.658 -8.716 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.142 -13.557 -8.551 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.968 -15.277 -8.131 1.00 0.00 H new ATOM 1120 N GLY A 70 2.586 -12.695 -5.710 1.00 0.00 N ATOM 1121 CA GLY A 70 3.038 -11.331 -5.474 1.00 0.00 C ATOM 1122 C GLY A 70 1.882 -10.339 -5.546 1.00 0.00 C ATOM 1123 O GLY A 70 0.792 -10.672 -6.013 1.00 0.00 O ATOM 0 H GLY A 70 2.696 -13.020 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.512 -11.268 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.794 -11.064 -6.212 1.00 0.00 H new ATOM 1127 N TYR A 71 2.126 -9.121 -5.070 1.00 0.00 N ATOM 1128 CA TYR A 71 1.100 -8.077 -5.068 1.00 0.00 C ATOM 1129 C TYR A 71 1.715 -6.695 -5.321 1.00 0.00 C ATOM 1130 O TYR A 71 2.715 -6.328 -4.706 1.00 0.00 O ATOM 1131 CB TYR A 71 0.389 -8.068 -3.696 1.00 0.00 C ATOM 1132 CG TYR A 71 -0.808 -8.997 -3.699 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -0.660 -10.349 -3.358 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -2.069 -8.492 -4.034 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -1.778 -11.192 -3.352 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -3.185 -9.334 -4.027 1.00 0.00 C ATOM 1137 CZ TYR A 71 -3.041 -10.685 -3.686 1.00 0.00 C ATOM 1138 OH TYR A 71 -4.143 -11.514 -3.678 1.00 0.00 O ATOM 0 H TYR A 71 3.023 -8.831 -4.681 1.00 0.00 H new ATOM 0 HA TYR A 71 0.390 -8.291 -5.867 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.089 -8.373 -2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.067 -7.055 -3.456 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.314 -10.739 -3.101 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.180 -7.451 -4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.667 -12.234 -3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.158 -8.943 -4.285 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.939 -11.002 -3.933 1.00 0.00 H new ATOM 1148 N GLU A 72 1.075 -5.919 -6.195 1.00 0.00 N ATOM 1149 CA GLU A 72 1.532 -4.553 -6.483 1.00 0.00 C ATOM 1150 C GLU A 72 0.695 -3.579 -5.655 1.00 0.00 C ATOM 1151 O GLU A 72 -0.451 -3.877 -5.326 1.00 0.00 O ATOM 1152 CB GLU A 72 1.369 -4.226 -7.977 1.00 0.00 C ATOM 1153 CG GLU A 72 1.647 -5.473 -8.811 1.00 0.00 C ATOM 1154 CD GLU A 72 1.905 -5.087 -10.266 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.151 -4.281 -10.789 1.00 0.00 O ATOM 1156 OE2 GLU A 72 2.851 -5.603 -10.836 1.00 0.00 O ATOM 0 H GLU A 72 0.245 -6.206 -6.714 1.00 0.00 H new ATOM 0 HA GLU A 72 2.588 -4.466 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.359 -3.864 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.054 -3.427 -8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.510 -6.003 -8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.799 -6.155 -8.753 1.00 0.00 H new ATOM 1163 N VAL A 73 1.262 -2.422 -5.308 1.00 0.00 N ATOM 1164 CA VAL A 73 0.530 -1.430 -4.511 1.00 0.00 C ATOM 1165 C VAL A 73 0.745 -0.029 -5.067 1.00 0.00 C ATOM 1166 O VAL A 73 1.862 0.346 -5.423 1.00 0.00 O ATOM 1167 CB VAL A 73 0.990 -1.487 -3.050 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.065 -0.836 -2.149 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.195 -2.950 -2.641 1.00 0.00 C ATOM 0 H VAL A 73 2.212 -2.149 -5.561 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.533 -1.664 -4.562 1.00 0.00 H new ATOM 0 HB VAL A 73 1.930 -0.946 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.266 -0.879 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.203 0.204 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.010 -1.370 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.522 -2.995 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.256 -3.493 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.953 -3.404 -3.280 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.335 0.740 -5.135 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.283 2.107 -5.644 1.00 0.00 C ATOM 1181 C GLN A 74 -0.962 3.046 -4.658 1.00 0.00 C ATOM 1182 O GLN A 74 -2.168 2.960 -4.428 1.00 0.00 O ATOM 1183 CB GLN A 74 -0.984 2.158 -7.000 1.00 0.00 C ATOM 1184 CG GLN A 74 -0.967 3.582 -7.569 1.00 0.00 C ATOM 1185 CD GLN A 74 -1.765 3.621 -8.869 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -1.211 3.886 -9.935 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -3.045 3.374 -8.838 1.00 0.00 N ATOM 0 H GLN A 74 -1.264 0.438 -4.842 1.00 0.00 H new ATOM 0 HA GLN A 74 0.754 2.422 -5.764 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.491 1.478 -7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.014 1.816 -6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.394 4.278 -6.847 1.00 0.00 H new ATOM 0 HG3 GLN A 74 0.060 3.900 -7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.501 3.155 -7.952 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.590 3.400 -9.700 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.170 3.937 -4.073 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.667 4.899 -3.092 1.00 0.00 C ATOM 1198 C ILE A 75 -0.907 6.245 -3.761 1.00 0.00 C ATOM 1199 O ILE A 75 -0.074 6.727 -4.523 1.00 0.00 O ATOM 1200 CB ILE A 75 0.381 5.053 -1.967 1.00 0.00 C ATOM 1201 CG1 ILE A 75 0.178 3.982 -0.900 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.302 6.426 -1.286 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.477 2.605 -1.487 1.00 0.00 C ATOM 0 H ILE A 75 0.829 4.014 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.608 4.543 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 75 1.359 4.948 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.832 4.175 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.846 4.015 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.057 6.488 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.480 7.209 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.687 6.558 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.331 1.843 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.195 2.412 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.509 2.575 -1.836 1.00 0.00 H new ATOM 1215 N THR A 76 -2.029 6.866 -3.441 1.00 0.00 N ATOM 1216 CA THR A 76 -2.338 8.185 -3.986 1.00 0.00 C ATOM 1217 C THR A 76 -2.943 9.054 -2.891 1.00 0.00 C ATOM 1218 O THR A 76 -4.001 8.746 -2.354 1.00 0.00 O ATOM 1219 CB THR A 76 -3.292 8.070 -5.178 1.00 0.00 C ATOM 1220 OG1 THR A 76 -2.928 6.941 -5.962 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.192 9.334 -6.038 1.00 0.00 C ATOM 0 H THR A 76 -2.738 6.486 -2.813 1.00 0.00 H new ATOM 0 HA THR A 76 -1.418 8.649 -4.343 1.00 0.00 H new ATOM 0 HB THR A 76 -4.314 7.955 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.537 6.863 -6.726 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.871 9.252 -6.886 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.463 10.204 -5.439 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.170 9.447 -6.401 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.257 10.142 -2.567 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.722 11.055 -1.530 1.00 0.00 C ATOM 1231 C ALA A 77 -3.644 12.091 -2.167 1.00 0.00 C ATOM 1232 O ALA A 77 -3.291 12.686 -3.182 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.499 11.723 -0.881 1.00 0.00 C ATOM 0 H ALA A 77 -1.378 10.414 -3.006 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.279 10.523 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.830 12.410 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.857 10.959 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.941 12.274 -1.638 1.00 0.00 H new ATOM 1239 N ALA A 78 -4.837 12.283 -1.600 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.801 13.233 -2.172 1.00 0.00 C ATOM 1241 C ALA A 78 -5.983 14.472 -1.303 1.00 0.00 C ATOM 1242 O ALA A 78 -6.485 14.398 -0.181 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.152 12.542 -2.355 1.00 0.00 C ATOM 0 H ALA A 78 -5.158 11.803 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.404 13.560 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.867 13.247 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.038 11.692 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.516 12.193 -1.389 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.600 15.623 -1.861 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.744 16.908 -1.179 1.00 0.00 C ATOM 1251 C ASN A 79 -6.695 17.781 -1.984 1.00 0.00 C ATOM 1252 O ASN A 79 -7.337 17.307 -2.918 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.382 17.614 -1.049 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.553 17.408 -2.313 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -3.987 16.730 -3.245 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.374 17.965 -2.404 1.00 0.00 N ATOM 0 H ASN A 79 -5.185 15.689 -2.790 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.138 16.739 -0.177 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.533 18.679 -0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.844 17.223 -0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.814 17.838 -3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.014 18.527 -1.632 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.777 19.051 -1.631 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.658 19.954 -2.360 1.00 0.00 C ATOM 1265 C ARG A 80 -7.386 19.837 -3.858 1.00 0.00 C ATOM 1266 O ARG A 80 -8.277 20.046 -4.681 1.00 0.00 O ATOM 1267 CB ARG A 80 -7.448 21.399 -1.901 1.00 0.00 C ATOM 1268 CG ARG A 80 -8.033 21.578 -0.499 1.00 0.00 C ATOM 1269 CD ARG A 80 -7.845 23.026 -0.049 1.00 0.00 C ATOM 1270 NE ARG A 80 -8.415 23.218 1.278 1.00 0.00 N ATOM 1271 CZ ARG A 80 -8.447 24.418 1.848 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -7.994 25.459 1.206 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -8.939 24.556 3.049 1.00 0.00 N ATOM 0 H ARG A 80 -6.259 19.476 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.692 19.676 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.385 21.640 -1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.928 22.087 -2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.092 21.321 -0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.542 20.902 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.784 23.276 -0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.323 23.700 -0.759 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.797 22.416 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.615 25.353 0.265 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.019 26.379 1.645 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.299 23.743 3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.964 25.477 3.487 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.153 19.475 -4.197 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.769 19.301 -5.593 1.00 0.00 C ATOM 1289 C LEU A 81 -6.527 18.116 -6.187 1.00 0.00 C ATOM 1290 O LEU A 81 -6.919 18.130 -7.353 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.257 19.050 -5.708 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.479 20.369 -5.580 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.783 21.309 -6.764 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.855 21.044 -4.254 1.00 0.00 C ATOM 0 H LEU A 81 -5.405 19.297 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.017 20.210 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.938 18.356 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.033 18.580 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.411 20.154 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.219 22.235 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.496 20.824 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.849 21.534 -6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.307 21.981 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.926 21.246 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.599 20.385 -3.425 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.705 17.077 -5.370 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.399 15.859 -5.795 1.00 0.00 C ATOM 1308 C GLY A 82 -6.486 14.648 -5.643 1.00 0.00 C ATOM 1309 O GLY A 82 -6.852 13.656 -5.013 1.00 0.00 O ATOM 0 H GLY A 82 -6.376 17.054 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.301 15.720 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.715 15.956 -6.834 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.291 14.745 -6.210 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.314 13.665 -6.119 1.00 0.00 C ATOM 1315 C TYR A 83 -2.905 14.242 -6.197 1.00 0.00 C ATOM 1316 O TYR A 83 -2.638 15.140 -6.993 1.00 0.00 O ATOM 1317 CB TYR A 83 -4.530 12.650 -7.245 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.011 12.476 -7.482 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -6.682 13.351 -8.345 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -6.714 11.447 -6.841 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.055 13.200 -8.566 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.088 11.295 -7.063 1.00 0.00 C ATOM 1323 CZ TYR A 83 -8.758 12.173 -7.926 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.114 12.025 -8.145 1.00 0.00 O ATOM 0 H TYR A 83 -4.974 15.558 -6.737 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.442 13.153 -5.165 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.042 12.992 -8.157 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.077 11.694 -6.981 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.139 14.143 -8.840 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.196 10.772 -6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.573 13.876 -9.231 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.631 10.502 -6.570 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.448 11.264 -7.626 1.00 0.00 H new ATOM 1334 N SER A 84 -2.011 13.727 -5.365 1.00 0.00 N ATOM 1335 CA SER A 84 -0.641 14.210 -5.350 1.00 0.00 C ATOM 1336 C SER A 84 0.266 13.204 -4.674 1.00 0.00 C ATOM 1337 O SER A 84 -0.203 12.214 -4.114 1.00 0.00 O ATOM 1338 CB SER A 84 -0.564 15.557 -4.634 1.00 0.00 C ATOM 1339 OG SER A 84 -1.314 16.515 -5.371 1.00 0.00 O ATOM 0 H SER A 84 -2.209 12.981 -4.698 1.00 0.00 H new ATOM 0 HA SER A 84 -0.307 14.341 -6.379 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.958 15.468 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.474 15.878 -4.546 1.00 0.00 H new ATOM 0 HG SER A 84 -1.554 16.141 -6.245 1.00 0.00 H new ATOM 1345 N GLU A 85 1.564 13.465 -4.758 1.00 0.00 N ATOM 1346 CA GLU A 85 2.576 12.593 -4.172 1.00 0.00 C ATOM 1347 C GLU A 85 2.157 11.127 -4.183 1.00 0.00 C ATOM 1348 O GLU A 85 2.004 10.506 -3.130 1.00 0.00 O ATOM 1349 CB GLU A 85 2.904 13.025 -2.745 1.00 0.00 C ATOM 1350 CG GLU A 85 1.636 13.128 -1.889 1.00 0.00 C ATOM 1351 CD GLU A 85 0.972 14.500 -2.053 1.00 0.00 C ATOM 1352 OE1 GLU A 85 1.609 15.391 -2.592 1.00 0.00 O ATOM 1353 OE2 GLU A 85 -0.151 14.645 -1.614 1.00 0.00 O ATOM 0 H GLU A 85 1.945 14.284 -5.232 1.00 0.00 H new ATOM 0 HA GLU A 85 3.467 12.688 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.592 12.309 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.413 13.989 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.935 12.344 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.886 12.964 -0.841 1.00 0.00 H new ATOM 1360 N PRO A 86 1.994 10.558 -5.346 1.00 0.00 N ATOM 1361 CA PRO A 86 1.617 9.128 -5.484 1.00 0.00 C ATOM 1362 C PRO A 86 2.819 8.226 -5.222 1.00 0.00 C ATOM 1363 O PRO A 86 3.961 8.630 -5.441 1.00 0.00 O ATOM 1364 CB PRO A 86 1.124 9.034 -6.929 1.00 0.00 C ATOM 1365 CG PRO A 86 1.917 10.069 -7.663 1.00 0.00 C ATOM 1366 CD PRO A 86 2.163 11.208 -6.660 1.00 0.00 C ATOM 0 HA PRO A 86 0.861 8.802 -4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.291 8.039 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.054 9.231 -6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.859 9.656 -8.022 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.374 10.429 -8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.161 11.632 -6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.453 12.024 -6.798 1.00 0.00 H new ATOM 1374 N THR A 87 2.563 7.010 -4.748 1.00 0.00 N ATOM 1375 CA THR A 87 3.634 6.060 -4.455 1.00 0.00 C ATOM 1376 C THR A 87 3.349 4.729 -5.125 1.00 0.00 C ATOM 1377 O THR A 87 2.453 3.993 -4.713 1.00 0.00 O ATOM 1378 CB THR A 87 3.761 5.857 -2.924 1.00 0.00 C ATOM 1379 OG1 THR A 87 2.849 6.711 -2.259 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.159 6.180 -2.442 1.00 0.00 C ATOM 0 H THR A 87 1.624 6.659 -4.558 1.00 0.00 H new ATOM 0 HA THR A 87 4.571 6.460 -4.841 1.00 0.00 H new ATOM 0 HB THR A 87 3.543 4.812 -2.704 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.319 7.513 -1.948 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.216 6.028 -1.364 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.875 5.526 -2.939 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.393 7.219 -2.675 1.00 0.00 H new ATOM 1388 N VAL A 88 4.139 4.409 -6.132 1.00 0.00 N ATOM 1389 CA VAL A 88 3.989 3.140 -6.824 1.00 0.00 C ATOM 1390 C VAL A 88 4.986 2.157 -6.240 1.00 0.00 C ATOM 1391 O VAL A 88 6.170 2.180 -6.578 1.00 0.00 O ATOM 1392 CB VAL A 88 4.233 3.314 -8.323 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.792 2.051 -9.065 1.00 0.00 C ATOM 1394 CG2 VAL A 88 3.423 4.509 -8.830 1.00 0.00 C ATOM 0 H VAL A 88 4.887 5.004 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 88 2.974 2.766 -6.692 1.00 0.00 H new ATOM 0 HB VAL A 88 5.294 3.486 -8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.967 2.177 -10.133 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.364 1.197 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.730 1.878 -8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.594 4.637 -9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.363 4.332 -8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.735 5.410 -8.302 1.00 0.00 H new ATOM 1404 N TYR A 89 4.502 1.314 -5.334 1.00 0.00 N ATOM 1405 CA TYR A 89 5.355 0.332 -4.659 1.00 0.00 C ATOM 1406 C TYR A 89 5.110 -1.062 -5.233 1.00 0.00 C ATOM 1407 O TYR A 89 3.997 -1.376 -5.654 1.00 0.00 O ATOM 1408 CB TYR A 89 5.039 0.355 -3.164 1.00 0.00 C ATOM 1409 CG TYR A 89 6.008 -0.503 -2.363 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.398 -0.290 -2.442 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.511 -1.500 -1.509 1.00 0.00 C ATOM 1412 CE1 TYR A 89 8.271 -1.076 -1.678 1.00 0.00 C ATOM 1413 CE2 TYR A 89 6.387 -2.277 -0.745 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.766 -2.068 -0.831 1.00 0.00 C ATOM 1415 OH TYR A 89 8.627 -2.833 -0.072 1.00 0.00 O ATOM 0 H TYR A 89 3.523 1.288 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 89 6.404 0.583 -4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.079 1.382 -2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.021 -0.001 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.791 0.479 -3.091 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.446 -1.668 -1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.337 -0.915 -1.743 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.997 -3.040 -0.087 1.00 0.00 H new ATOM 0 HH TYR A 89 8.112 -3.474 0.461 1.00 0.00 H new ATOM 1425 N GLU A 90 6.151 -1.893 -5.265 1.00 0.00 N ATOM 1426 CA GLU A 90 6.023 -3.248 -5.810 1.00 0.00 C ATOM 1427 C GLU A 90 6.893 -4.237 -5.039 1.00 0.00 C ATOM 1428 O GLU A 90 8.077 -3.993 -4.810 1.00 0.00 O ATOM 1429 CB GLU A 90 6.438 -3.244 -7.285 1.00 0.00 C ATOM 1430 CG GLU A 90 7.699 -2.393 -7.453 1.00 0.00 C ATOM 1431 CD GLU A 90 8.219 -2.497 -8.883 1.00 0.00 C ATOM 1432 OE1 GLU A 90 8.716 -3.554 -9.237 1.00 0.00 O ATOM 1433 OE2 GLU A 90 8.112 -1.517 -9.602 1.00 0.00 O ATOM 0 H GLU A 90 7.083 -1.658 -4.925 1.00 0.00 H new ATOM 0 HA GLU A 90 4.983 -3.560 -5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.625 -4.263 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.632 -2.845 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.479 -1.353 -7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.467 -2.726 -6.754 1.00 0.00 H new ATOM 1440 N PHE A 91 6.298 -5.362 -4.659 1.00 0.00 N ATOM 1441 CA PHE A 91 7.032 -6.394 -3.932 1.00 0.00 C ATOM 1442 C PHE A 91 6.242 -7.698 -3.926 1.00 0.00 C ATOM 1443 O PHE A 91 5.018 -7.688 -3.811 1.00 0.00 O ATOM 1444 CB PHE A 91 7.292 -5.940 -2.493 1.00 0.00 C ATOM 1445 CG PHE A 91 5.995 -5.931 -1.717 1.00 0.00 C ATOM 1446 CD1 PHE A 91 5.145 -4.824 -1.789 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.648 -7.030 -0.922 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.946 -4.815 -1.067 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.447 -7.023 -0.202 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.596 -5.914 -0.275 1.00 0.00 C ATOM 0 H PHE A 91 5.319 -5.583 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 91 7.986 -6.560 -4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.008 -6.608 -2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.735 -4.944 -2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.413 -3.976 -2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.307 -7.884 -0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.290 -3.959 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.178 -7.872 0.409 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.669 -5.907 0.280 1.00 0.00 H new ATOM 1460 N SER A 92 6.946 -8.822 -4.042 1.00 0.00 N ATOM 1461 CA SER A 92 6.284 -10.121 -4.043 1.00 0.00 C ATOM 1462 C SER A 92 6.171 -10.663 -2.615 1.00 0.00 C ATOM 1463 O SER A 92 6.890 -10.223 -1.716 1.00 0.00 O ATOM 1464 CB SER A 92 7.054 -11.117 -4.911 1.00 0.00 C ATOM 1465 OG SER A 92 7.584 -10.444 -6.045 1.00 0.00 O ATOM 0 H SER A 92 7.961 -8.859 -4.135 1.00 0.00 H new ATOM 0 HA SER A 92 5.284 -9.992 -4.457 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.860 -11.571 -4.335 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.395 -11.925 -5.229 1.00 0.00 H new ATOM 0 HG SER A 92 8.079 -11.081 -6.601 1.00 0.00 H new ATOM 1471 N MET A 93 5.268 -11.623 -2.412 1.00 0.00 N ATOM 1472 CA MET A 93 5.075 -12.217 -1.090 1.00 0.00 C ATOM 1473 C MET A 93 6.037 -13.402 -0.884 1.00 0.00 C ATOM 1474 O MET A 93 6.207 -14.218 -1.788 1.00 0.00 O ATOM 1475 CB MET A 93 3.640 -12.724 -0.965 1.00 0.00 C ATOM 1476 CG MET A 93 2.679 -11.532 -0.929 1.00 0.00 C ATOM 1477 SD MET A 93 2.866 -10.646 0.642 1.00 0.00 S ATOM 1478 CE MET A 93 2.208 -11.929 1.737 1.00 0.00 C ATOM 0 H MET A 93 4.663 -12.003 -3.140 1.00 0.00 H new ATOM 0 HA MET A 93 5.276 -11.456 -0.336 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.398 -13.374 -1.806 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.531 -13.320 -0.059 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.885 -10.861 -1.763 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.651 -11.877 -1.043 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.887 -11.477 2.675 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.358 -12.415 1.258 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.983 -12.669 1.937 1.00 0.00 H new ATOM 1488 N PRO A 94 6.650 -13.535 0.277 1.00 0.00 N ATOM 1489 CA PRO A 94 7.581 -14.675 0.566 1.00 0.00 C ATOM 1490 C PRO A 94 6.811 -15.977 0.792 1.00 0.00 C ATOM 1491 O PRO A 94 5.604 -15.947 1.009 1.00 0.00 O ATOM 1492 CB PRO A 94 8.299 -14.225 1.850 1.00 0.00 C ATOM 1493 CG PRO A 94 7.325 -13.325 2.538 1.00 0.00 C ATOM 1494 CD PRO A 94 6.534 -12.626 1.434 1.00 0.00 C ATOM 0 HA PRO A 94 8.265 -14.884 -0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.560 -15.078 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.227 -13.702 1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.663 -13.895 3.190 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.842 -12.599 3.165 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.493 -12.478 1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.946 -11.642 1.211 1.00 0.00 H new ATOM 1502 N PRO A 95 7.476 -17.106 0.767 1.00 0.00 N ATOM 1503 CA PRO A 95 6.812 -18.423 1.011 1.00 0.00 C ATOM 1504 C PRO A 95 6.300 -18.518 2.452 1.00 0.00 C ATOM 1505 O PRO A 95 6.835 -17.869 3.347 1.00 0.00 O ATOM 1506 CB PRO A 95 7.924 -19.453 0.736 1.00 0.00 C ATOM 1507 CG PRO A 95 9.203 -18.701 0.924 1.00 0.00 C ATOM 1508 CD PRO A 95 8.915 -17.264 0.487 1.00 0.00 C ATOM 0 HA PRO A 95 5.937 -18.581 0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.858 -20.298 1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 95 7.848 -19.856 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.526 -18.735 1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.004 -19.137 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.515 -16.546 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.138 -17.112 -0.569 1.00 0.00 H new ATOM 1516 N LYS A 96 5.256 -19.316 2.675 1.00 0.00 N ATOM 1517 CA LYS A 96 4.700 -19.454 4.022 1.00 0.00 C ATOM 1518 C LYS A 96 5.843 -19.617 5.042 1.00 0.00 C ATOM 1519 O LYS A 96 6.734 -20.439 4.836 1.00 0.00 O ATOM 1520 CB LYS A 96 3.743 -20.676 4.078 1.00 0.00 C ATOM 1521 CG LYS A 96 3.400 -21.098 5.553 1.00 0.00 C ATOM 1522 CD LYS A 96 1.883 -21.027 5.837 1.00 0.00 C ATOM 1523 CE LYS A 96 1.321 -19.651 5.488 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.576 -19.102 6.656 1.00 0.00 N ATOM 0 H LYS A 96 4.786 -19.867 1.957 1.00 0.00 H new ATOM 0 HA LYS A 96 4.132 -18.558 4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.821 -20.438 3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.201 -21.518 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.755 -22.113 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.930 -20.448 6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.366 -21.792 5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.697 -21.243 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.131 -18.976 5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.659 -19.726 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.547 -18.064 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.394 -19.476 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.055 -19.382 7.536 1.00 0.00 H new ATOM 1538 N PRO A 97 5.851 -18.868 6.133 1.00 0.00 N ATOM 1539 CA PRO A 97 6.935 -18.983 7.158 1.00 0.00 C ATOM 1540 C PRO A 97 6.937 -20.323 7.881 1.00 0.00 C ATOM 1541 O PRO A 97 5.962 -20.677 8.546 1.00 0.00 O ATOM 1542 CB PRO A 97 6.615 -17.861 8.155 1.00 0.00 C ATOM 1543 CG PRO A 97 5.151 -17.640 8.007 1.00 0.00 C ATOM 1544 CD PRO A 97 4.864 -17.833 6.529 1.00 0.00 C ATOM 0 HA PRO A 97 7.918 -18.907 6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.872 -18.150 9.174 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.178 -16.956 7.929 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.583 -18.346 8.613 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.869 -16.639 8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.840 -18.164 6.356 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.000 -16.909 5.967 1.00 0.00 H new ATOM 1552 N ASN A 98 8.053 -21.033 7.803 1.00 0.00 N ATOM 1553 CA ASN A 98 8.167 -22.284 8.523 1.00 0.00 C ATOM 1554 C ASN A 98 8.302 -21.954 9.998 1.00 0.00 C ATOM 1555 O ASN A 98 7.835 -22.684 10.873 1.00 0.00 O ATOM 1556 CB ASN A 98 9.372 -23.092 8.035 1.00 0.00 C ATOM 1557 CG ASN A 98 9.098 -23.643 6.640 1.00 0.00 C ATOM 1558 OD1 ASN A 98 8.756 -22.887 5.729 1.00 0.00 O ATOM 1559 ND2 ASN A 98 9.221 -24.924 6.421 1.00 0.00 N ATOM 0 H ASN A 98 8.874 -20.768 7.259 1.00 0.00 H new ATOM 0 HA ASN A 98 7.283 -22.898 8.350 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.261 -22.461 8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.575 -23.911 8.725 1.00 0.00 H new ATOM 0 HD21 ASN A 98 9.034 -25.303 5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.504 -25.546 7.178 1.00 0.00 H new ATOM 1566 N ILE A 99 8.929 -20.804 10.243 1.00 0.00 N ATOM 1567 CA ILE A 99 9.132 -20.278 11.586 1.00 0.00 C ATOM 1568 C ILE A 99 8.820 -18.788 11.565 1.00 0.00 C ATOM 1569 O ILE A 99 9.460 -18.016 10.850 1.00 0.00 O ATOM 1570 CB ILE A 99 10.575 -20.522 12.035 1.00 0.00 C ATOM 1571 CG1 ILE A 99 10.766 -20.007 13.465 1.00 0.00 C ATOM 1572 CG2 ILE A 99 11.551 -19.806 11.093 1.00 0.00 C ATOM 1573 CD1 ILE A 99 12.104 -20.518 14.003 1.00 0.00 C ATOM 0 H ILE A 99 9.312 -20.210 9.508 1.00 0.00 H new ATOM 0 HA ILE A 99 8.473 -20.782 12.293 1.00 0.00 H new ATOM 0 HB ILE A 99 10.777 -21.593 12.006 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.746 -18.917 13.479 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.949 -20.349 14.101 1.00 0.00 H new ATOM 0 HG21 ILE A 99 12.574 -19.987 11.423 1.00 0.00 H new ATOM 0 HG22 ILE A 99 11.424 -20.186 10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.350 -18.735 11.106 1.00 0.00 H new ATOM 0 HD11 ILE A 99 12.249 -20.156 15.021 1.00 0.00 H new ATOM 0 HD12 ILE A 99 12.104 -21.608 14.002 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.913 -20.154 13.370 1.00 0.00 H new ATOM 1585 N ILE A 100 7.807 -18.398 12.324 1.00 0.00 N ATOM 1586 CA ILE A 100 7.378 -17.007 12.362 1.00 0.00 C ATOM 1587 C ILE A 100 8.362 -16.127 13.121 1.00 0.00 C ATOM 1588 O ILE A 100 9.478 -16.551 13.415 1.00 0.00 O ATOM 1589 CB ILE A 100 5.994 -16.934 12.997 1.00 0.00 C ATOM 1590 CG1 ILE A 100 6.053 -17.502 14.417 1.00 0.00 C ATOM 1591 CG2 ILE A 100 5.031 -17.770 12.154 1.00 0.00 C ATOM 1592 CD1 ILE A 100 4.652 -17.479 15.034 1.00 0.00 C ATOM 0 H ILE A 100 7.267 -19.024 12.921 1.00 0.00 H new ATOM 0 HA ILE A 100 7.340 -16.628 11.341 1.00 0.00 H new ATOM 0 HB ILE A 100 5.655 -15.899 13.040 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.436 -18.522 14.397 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.740 -16.915 15.027 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.034 -17.730 12.593 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.997 -17.373 11.139 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.374 -18.804 12.127 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.693 -17.883 16.045 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.286 -16.453 15.068 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.978 -18.084 14.428 1.00 0.00 H new ATOM 1604 N LYS A 101 7.922 -14.895 13.403 1.00 0.00 N ATOM 1605 CA LYS A 101 8.721 -13.884 14.110 1.00 0.00 C ATOM 1606 C LYS A 101 9.324 -12.896 13.113 1.00 0.00 C ATOM 1607 O LYS A 101 10.113 -13.275 12.246 1.00 0.00 O ATOM 1608 CB LYS A 101 9.847 -14.502 14.952 1.00 0.00 C ATOM 1609 CG LYS A 101 10.394 -13.438 15.908 1.00 0.00 C ATOM 1610 CD LYS A 101 11.413 -14.065 16.856 1.00 0.00 C ATOM 1611 CE LYS A 101 11.937 -12.995 17.815 1.00 0.00 C ATOM 1612 NZ LYS A 101 12.882 -13.615 18.787 1.00 0.00 N ATOM 0 H LYS A 101 6.991 -14.567 13.144 1.00 0.00 H new ATOM 0 HA LYS A 101 8.042 -13.369 14.790 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.471 -15.357 15.515 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.642 -14.871 14.305 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.860 -12.632 15.341 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.578 -12.995 16.479 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.953 -14.878 17.417 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.238 -14.496 16.288 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.440 -12.206 17.256 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.106 -12.530 18.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.238 -12.886 19.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.388 -14.353 19.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.680 -14.039 18.273 1.00 0.00 H new ATOM 1626 N ASP A 102 8.946 -11.630 13.244 1.00 0.00 N ATOM 1627 CA ASP A 102 9.454 -10.588 12.352 1.00 0.00 C ATOM 1628 C ASP A 102 10.969 -10.461 12.489 1.00 0.00 C ATOM 1629 O ASP A 102 11.438 -9.349 12.657 1.00 0.00 O ATOM 1630 CB ASP A 102 8.795 -9.250 12.692 1.00 0.00 C ATOM 1631 CG ASP A 102 9.202 -8.814 14.097 1.00 0.00 C ATOM 1632 OD1 ASP A 102 8.735 -9.426 15.042 1.00 0.00 O ATOM 1633 OD2 ASP A 102 9.974 -7.873 14.205 1.00 0.00 O ATOM 0 H ASP A 102 8.293 -11.299 13.954 1.00 0.00 H new ATOM 0 HA ASP A 102 9.215 -10.862 11.324 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.092 -8.493 11.966 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.711 -9.342 12.630 1.00 0.00 H new TER 1638 ASP A 102