USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 883 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 143 CYS SG : rot -12:sc= -0.83! USER MOD Set 1.2: B 473 CYS SG : rot 65:sc= 0.0753 USER MOD Set 2.1: B 468 ASN : amide:sc= -1.04! X(o=-4.2!,f=-4.5) USER MOD Set 2.2: B 472 GLN : amide:sc= -3.2! C(o=-4.2!,f=-7!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.0171 F(o=-1.2!,f=-0.017) USER MOD Single : A 91 ASN : amide:sc= 0.323 K(o=0.32,f=-5.8!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 98 SER OG : rot -140:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.18 K(o=1.2,f=-0.057) USER MOD Single : A 109 HIS : no HD1:sc= -0.0266 K(o=-0.027,f=-5.1!) USER MOD Single : A 112 GLN :FLIP amide:sc= -0.376 F(o=-1.4,f=-0.38) USER MOD Single : A 114 MET CE :methyl -169:sc= -0.929 (180deg=-1.09) USER MOD Single : A 116 ASN : amide:sc= -0.0951 K(o=-0.095,f=-1.5!) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 123 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0435) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl 166:sc= -1.03 (180deg=-1.84) USER MOD Single : A 130 TYR OH : rot 150:sc= -0.12 USER MOD Single : A 131 MET CE :methyl 157:sc= -1.65 (180deg=-3.44!) USER MOD Single : A 132 GLN : amide:sc= 0.0381 X(o=0.038,f=-0.28) USER MOD Single : A 142 CYS SG : rot 86:sc= -0.183 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -1.94! C(o=-1.9!,f=-6.8!) USER MOD Single : A 152 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : B 465 HIS : no HE2:sc= 1.05 K(o=1.1,f=-5.7!) USER MOD Single : B 476 TYR OH : rot 84:sc= 0.00861 USER MOD Single : B 479 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0506) USER MOD Single : B 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 487 THR OG1 : rot -56:sc= 0.358 USER MOD Single : B 488 ASN :FLIP amide:sc= -1.88! C(o=-2.8!,f=-1.9!) USER MOD Single : B 489 SER OG : rot 180:sc= 0 USER MOD Single : B 491 LYS NZ :NH3+ -144:sc= 1.22 (180deg=0.693) USER MOD Single : B 492 SER OG : rot 89:sc= 1.29 USER MOD Single : B 493 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0533) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 81 -1.815 -21.294 -0.890 1.00 0.00 N ATOM 2 CA GLY A 81 -0.524 -20.584 -0.724 1.00 0.00 C ATOM 3 C GLY A 81 -0.366 -20.023 0.673 1.00 0.00 C ATOM 4 O GLY A 81 -1.334 -19.507 1.237 1.00 0.00 O ATOM 0 HA2 GLY A 81 0.297 -21.269 -0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.459 -19.774 -1.450 1.00 0.00 H new ATOM 10 N PRO A 82 0.839 -20.122 1.269 1.00 0.00 N ATOM 11 CA PRO A 82 1.109 -19.584 2.608 1.00 0.00 C ATOM 12 C PRO A 82 0.822 -18.089 2.688 1.00 0.00 C ATOM 13 O PRO A 82 0.148 -17.622 3.607 1.00 0.00 O ATOM 14 CB PRO A 82 2.601 -19.854 2.818 1.00 0.00 C ATOM 15 CG PRO A 82 2.925 -20.962 1.879 1.00 0.00 C ATOM 16 CD PRO A 82 2.026 -20.773 0.690 1.00 0.00 C ATOM 0 HA PRO A 82 0.476 -20.044 3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.197 -18.967 2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.810 -20.137 3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.974 -20.930 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.755 -21.932 2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.494 -20.152 -0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.775 -21.724 0.219 1.00 0.00 H new ATOM 24 N HIS A 83 1.337 -17.342 1.721 1.00 0.00 N ATOM 25 CA HIS A 83 1.033 -15.924 1.610 1.00 0.00 C ATOM 26 C HIS A 83 -0.068 -15.709 0.583 1.00 0.00 C ATOM 27 O HIS A 83 0.186 -15.263 -0.535 1.00 0.00 O ATOM 28 CB HIS A 83 2.278 -15.112 1.231 1.00 0.00 C ATOM 29 CG HIS A 83 3.202 -14.843 2.380 1.00 0.00 C ATOM 30 ND1 HIS A 83 3.423 -13.564 2.833 1.00 0.00 N ATOM 31 CD2 HIS A 83 3.941 -15.707 3.117 1.00 0.00 C ATOM 32 CE1 HIS A 83 4.283 -13.677 3.830 1.00 0.00 C ATOM 33 NE2 HIS A 83 4.627 -14.956 4.038 1.00 0.00 N ATOM 0 H HIS A 83 1.968 -17.696 1.002 1.00 0.00 H new ATOM 0 HA HIS A 83 0.691 -15.574 2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.826 -15.647 0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.962 -14.161 0.801 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.982 -16.780 3.002 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.661 -12.844 4.405 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.274 -15.304 4.745 1.00 0.00 H new ATOM 41 N MET A 84 -1.290 -16.047 0.967 1.00 0.00 N ATOM 42 CA MET A 84 -2.449 -15.868 0.103 1.00 0.00 C ATOM 43 C MET A 84 -2.979 -14.445 0.239 1.00 0.00 C ATOM 44 O MET A 84 -3.897 -14.025 -0.464 1.00 0.00 O ATOM 45 CB MET A 84 -3.537 -16.893 0.455 1.00 0.00 C ATOM 46 CG MET A 84 -4.779 -16.808 -0.420 1.00 0.00 C ATOM 47 SD MET A 84 -4.416 -17.029 -2.173 1.00 0.00 S ATOM 48 CE MET A 84 -6.035 -16.742 -2.887 1.00 0.00 C ATOM 0 H MET A 84 -1.506 -16.450 1.879 1.00 0.00 H new ATOM 0 HA MET A 84 -2.153 -16.031 -0.933 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.116 -17.895 0.373 1.00 0.00 H new ATOM 0 HB3 MET A 84 -3.829 -16.754 1.496 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.494 -17.568 -0.103 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.257 -15.839 -0.272 1.00 0.00 H new ATOM 0 HE1 MET A 84 -5.978 -16.843 -3.971 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.742 -17.472 -2.491 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.371 -15.737 -2.634 1.00 0.00 H new ATOM 58 N ASP A 85 -2.359 -13.694 1.136 1.00 0.00 N ATOM 59 CA ASP A 85 -2.741 -12.310 1.381 1.00 0.00 C ATOM 60 C ASP A 85 -2.118 -11.388 0.339 1.00 0.00 C ATOM 61 O ASP A 85 -2.264 -10.165 0.407 1.00 0.00 O ATOM 62 CB ASP A 85 -2.317 -11.870 2.783 1.00 0.00 C ATOM 63 CG ASP A 85 -3.062 -12.599 3.881 1.00 0.00 C ATOM 64 OD1 ASP A 85 -2.481 -13.520 4.495 1.00 0.00 O ATOM 65 OD2 ASP A 85 -4.229 -12.251 4.141 1.00 0.00 O ATOM 0 H ASP A 85 -1.583 -14.022 1.711 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.826 -12.244 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.247 -12.039 2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.484 -10.798 2.888 1.00 0.00 H new ATOM 70 N ARG A 86 -1.416 -11.984 -0.616 1.00 0.00 N ATOM 71 CA ARG A 86 -0.813 -11.238 -1.708 1.00 0.00 C ATOM 72 C ARG A 86 -1.877 -10.836 -2.725 1.00 0.00 C ATOM 73 O ARG A 86 -2.771 -11.620 -3.050 1.00 0.00 O ATOM 74 CB ARG A 86 0.286 -12.067 -2.385 1.00 0.00 C ATOM 75 CG ARG A 86 -0.212 -13.367 -2.997 1.00 0.00 C ATOM 76 CD ARG A 86 0.917 -14.149 -3.647 1.00 0.00 C ATOM 77 NE ARG A 86 0.438 -15.382 -4.269 1.00 0.00 N ATOM 78 CZ ARG A 86 1.233 -16.371 -4.675 1.00 0.00 C ATOM 79 NH1 ARG A 86 2.546 -16.284 -4.511 1.00 0.00 N ATOM 80 NH2 ARG A 86 0.711 -17.451 -5.239 1.00 0.00 N ATOM 0 H ARG A 86 -1.251 -12.990 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.360 -10.334 -1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.753 -11.465 -3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.060 -12.295 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.680 -13.977 -2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.979 -13.149 -3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.403 -13.528 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.671 -14.390 -2.897 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.567 -15.492 -4.400 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.951 -15.457 -4.072 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.150 -17.044 -4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.299 -17.525 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.319 -18.208 -5.550 1.00 0.00 H new ATOM 94 N VAL A 87 -1.785 -9.614 -3.219 1.00 0.00 N ATOM 95 CA VAL A 87 -2.763 -9.103 -4.165 1.00 0.00 C ATOM 96 C VAL A 87 -2.226 -9.181 -5.587 1.00 0.00 C ATOM 97 O VAL A 87 -1.048 -8.916 -5.834 1.00 0.00 O ATOM 98 CB VAL A 87 -3.151 -7.646 -3.835 1.00 0.00 C ATOM 99 CG1 VAL A 87 -4.151 -7.107 -4.845 1.00 0.00 C ATOM 100 CG2 VAL A 87 -3.721 -7.557 -2.430 1.00 0.00 C ATOM 0 H VAL A 87 -1.043 -8.956 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.654 -9.726 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.250 -7.034 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.408 -6.079 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.712 -7.134 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.052 -7.721 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.990 -6.524 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.608 -8.186 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.974 -7.897 -1.712 1.00 0.00 H new ATOM 110 N SER A 88 -3.093 -9.571 -6.509 1.00 0.00 N ATOM 111 CA SER A 88 -2.733 -9.684 -7.911 1.00 0.00 C ATOM 112 C SER A 88 -2.402 -8.310 -8.486 1.00 0.00 C ATOM 113 O SER A 88 -3.079 -7.320 -8.197 1.00 0.00 O ATOM 114 CB SER A 88 -3.895 -10.314 -8.673 1.00 0.00 C ATOM 115 OG SER A 88 -4.315 -11.511 -8.039 1.00 0.00 O ATOM 0 H SER A 88 -4.062 -9.817 -6.306 1.00 0.00 H new ATOM 0 HA SER A 88 -1.849 -10.314 -8.011 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.727 -9.612 -8.724 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.593 -10.526 -9.699 1.00 0.00 H new ATOM 0 HG SER A 88 -5.062 -11.901 -8.539 1.00 0.00 H new ATOM 121 N LEU A 89 -1.354 -8.270 -9.307 1.00 0.00 N ATOM 122 CA LEU A 89 -0.856 -7.030 -9.887 1.00 0.00 C ATOM 123 C LEU A 89 -1.936 -6.377 -10.741 1.00 0.00 C ATOM 124 O LEU A 89 -2.024 -5.156 -10.814 1.00 0.00 O ATOM 125 CB LEU A 89 0.392 -7.317 -10.738 1.00 0.00 C ATOM 126 CG LEU A 89 1.533 -6.287 -10.646 1.00 0.00 C ATOM 127 CD1 LEU A 89 1.079 -4.909 -11.098 1.00 0.00 C ATOM 128 CD2 LEU A 89 2.087 -6.227 -9.231 1.00 0.00 C ATOM 0 H LEU A 89 -0.828 -9.098 -9.587 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.587 -6.345 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.786 -8.291 -10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.084 -7.394 -11.781 1.00 0.00 H new ATOM 0 HG LEU A 89 2.326 -6.613 -11.319 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.910 -4.208 -11.019 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.743 -4.958 -12.134 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.258 -4.571 -10.466 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.892 -5.494 -9.186 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.294 -5.937 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.473 -7.207 -8.949 1.00 0.00 H new ATOM 140 N GLN A 90 -2.766 -7.200 -11.376 1.00 0.00 N ATOM 141 CA GLN A 90 -3.873 -6.694 -12.181 1.00 0.00 C ATOM 142 C GLN A 90 -4.867 -5.930 -11.313 1.00 0.00 C ATOM 143 O GLN A 90 -5.366 -4.880 -11.712 1.00 0.00 O ATOM 144 CB GLN A 90 -4.578 -7.834 -12.920 1.00 0.00 C ATOM 145 CG GLN A 90 -5.078 -8.946 -12.011 1.00 0.00 C ATOM 146 CD GLN A 90 -5.881 -9.996 -12.752 1.00 0.00 C ATOM 147 OE1 GLN A 90 -6.603 -9.582 -13.780 1.00 0.00 O flip ATOM 148 NE2 GLN A 90 -5.860 -11.174 -12.397 1.00 0.00 N flip ATOM 0 H GLN A 90 -2.693 -8.217 -11.349 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.462 -6.008 -12.922 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.422 -7.426 -13.475 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.891 -8.259 -13.652 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.226 -9.423 -11.526 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.694 -8.514 -11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.291 -11.456 -11.599 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.412 -11.868 -12.901 1.00 0.00 H new ATOM 157 N ASN A 91 -5.132 -6.452 -10.118 1.00 0.00 N ATOM 158 CA ASN A 91 -6.014 -5.786 -9.168 1.00 0.00 C ATOM 159 C ASN A 91 -5.409 -4.456 -8.754 1.00 0.00 C ATOM 160 O ASN A 91 -6.101 -3.442 -8.673 1.00 0.00 O ATOM 161 CB ASN A 91 -6.241 -6.642 -7.916 1.00 0.00 C ATOM 162 CG ASN A 91 -7.031 -7.913 -8.174 1.00 0.00 C ATOM 163 OD1 ASN A 91 -6.944 -8.519 -9.242 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.814 -8.323 -7.188 1.00 0.00 N ATOM 0 H ASN A 91 -4.747 -7.336 -9.786 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.975 -5.629 -9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.274 -6.907 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.766 -6.045 -7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.373 -9.169 -7.299 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.858 -7.793 -6.318 1.00 0.00 H new ATOM 171 N LEU A 92 -4.102 -4.473 -8.526 1.00 0.00 N ATOM 172 CA LEU A 92 -3.377 -3.290 -8.086 1.00 0.00 C ATOM 173 C LEU A 92 -3.350 -2.234 -9.180 1.00 0.00 C ATOM 174 O LEU A 92 -3.371 -1.042 -8.902 1.00 0.00 O ATOM 175 CB LEU A 92 -1.949 -3.667 -7.675 1.00 0.00 C ATOM 176 CG LEU A 92 -1.850 -4.640 -6.499 1.00 0.00 C ATOM 177 CD1 LEU A 92 -0.408 -5.061 -6.275 1.00 0.00 C ATOM 178 CD2 LEU A 92 -2.418 -4.006 -5.238 1.00 0.00 C ATOM 0 H LEU A 92 -3.519 -5.302 -8.640 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.894 -2.872 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.444 -4.107 -8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.408 -2.756 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.436 -5.528 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.357 -5.753 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.028 -5.551 -7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.198 -4.182 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.341 -4.711 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.856 -3.103 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.465 -3.750 -5.400 1.00 0.00 H new ATOM 190 N LYS A 93 -3.330 -2.677 -10.429 1.00 0.00 N ATOM 191 CA LYS A 93 -3.309 -1.763 -11.568 1.00 0.00 C ATOM 192 C LYS A 93 -4.550 -0.870 -11.613 1.00 0.00 C ATOM 193 O LYS A 93 -4.535 0.187 -12.242 1.00 0.00 O ATOM 194 CB LYS A 93 -3.176 -2.542 -12.873 1.00 0.00 C ATOM 195 CG LYS A 93 -1.775 -3.072 -13.124 1.00 0.00 C ATOM 196 CD LYS A 93 -1.657 -3.705 -14.501 1.00 0.00 C ATOM 197 CE LYS A 93 -0.242 -4.189 -14.772 1.00 0.00 C ATOM 198 NZ LYS A 93 -0.088 -4.714 -16.154 1.00 0.00 N ATOM 0 H LYS A 93 -3.328 -3.665 -10.682 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.442 -1.114 -11.445 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.875 -3.378 -12.860 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.466 -1.897 -13.703 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.055 -2.258 -13.034 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.521 -3.808 -12.361 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.350 -4.543 -14.578 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.947 -2.980 -15.262 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.458 -3.368 -14.616 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.017 -4.969 -14.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.891 -5.033 -16.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.737 -5.514 -16.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.310 -3.962 -16.838 1.00 0.00 H new ATOM 212 N ASN A 94 -5.618 -1.289 -10.945 1.00 0.00 N ATOM 213 CA ASN A 94 -6.849 -0.497 -10.910 1.00 0.00 C ATOM 214 C ASN A 94 -6.722 0.675 -9.940 1.00 0.00 C ATOM 215 O ASN A 94 -7.492 1.630 -10.009 1.00 0.00 O ATOM 216 CB ASN A 94 -8.053 -1.351 -10.505 1.00 0.00 C ATOM 217 CG ASN A 94 -8.363 -2.463 -11.484 1.00 0.00 C ATOM 218 OD1 ASN A 94 -9.076 -2.263 -12.470 1.00 0.00 O ATOM 219 ND2 ASN A 94 -7.857 -3.651 -11.203 1.00 0.00 N ATOM 0 H ASN A 94 -5.661 -2.164 -10.423 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.007 -0.116 -11.919 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.866 -1.785 -9.523 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.928 -0.708 -10.409 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.052 -4.445 -11.812 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.272 -3.774 -10.377 1.00 0.00 H new ATOM 226 N LEU A 95 -5.744 0.601 -9.043 1.00 0.00 N ATOM 227 CA LEU A 95 -5.573 1.613 -8.001 1.00 0.00 C ATOM 228 C LEU A 95 -5.274 2.982 -8.603 1.00 0.00 C ATOM 229 O LEU A 95 -5.918 3.973 -8.259 1.00 0.00 O ATOM 230 CB LEU A 95 -4.449 1.211 -7.047 1.00 0.00 C ATOM 231 CG LEU A 95 -4.675 -0.094 -6.286 1.00 0.00 C ATOM 232 CD1 LEU A 95 -3.423 -0.482 -5.524 1.00 0.00 C ATOM 233 CD2 LEU A 95 -5.854 0.028 -5.338 1.00 0.00 C ATOM 0 H LEU A 95 -5.055 -0.151 -9.015 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.509 1.679 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.524 1.124 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.304 2.014 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.902 -0.876 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.598 -1.414 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.598 -0.617 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.171 0.305 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.994 -0.914 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.661 0.824 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.755 0.262 -5.906 1.00 0.00 H new ATOM 245 N GLY A 96 -4.309 3.025 -9.514 1.00 0.00 N ATOM 246 CA GLY A 96 -3.943 4.278 -10.147 1.00 0.00 C ATOM 247 C GLY A 96 -5.010 4.777 -11.101 1.00 0.00 C ATOM 248 O GLY A 96 -4.998 5.939 -11.507 1.00 0.00 O ATOM 0 H GLY A 96 -3.774 2.215 -9.826 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.765 5.031 -9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.007 4.148 -10.689 1.00 0.00 H new ATOM 252 N GLU A 97 -5.938 3.899 -11.454 1.00 0.00 N ATOM 253 CA GLU A 97 -7.013 4.244 -12.373 1.00 0.00 C ATOM 254 C GLU A 97 -8.232 4.761 -11.617 1.00 0.00 C ATOM 255 O GLU A 97 -9.066 5.473 -12.175 1.00 0.00 O ATOM 256 CB GLU A 97 -7.402 3.027 -13.210 1.00 0.00 C ATOM 257 CG GLU A 97 -6.262 2.485 -14.054 1.00 0.00 C ATOM 258 CD GLU A 97 -5.723 3.509 -15.029 1.00 0.00 C ATOM 259 OE1 GLU A 97 -4.555 3.929 -14.878 1.00 0.00 O ATOM 260 OE2 GLU A 97 -6.468 3.909 -15.949 1.00 0.00 O ATOM 0 H GLU A 97 -5.968 2.937 -11.116 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.654 5.034 -13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.760 2.239 -12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.232 3.295 -13.863 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.456 2.152 -13.399 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.607 1.610 -14.605 1.00 0.00 H new ATOM 267 N SER A 98 -8.330 4.397 -10.345 1.00 0.00 N ATOM 268 CA SER A 98 -9.444 4.810 -9.509 1.00 0.00 C ATOM 269 C SER A 98 -9.382 6.307 -9.245 1.00 0.00 C ATOM 270 O SER A 98 -8.442 6.798 -8.618 1.00 0.00 O ATOM 271 CB SER A 98 -9.423 4.038 -8.187 1.00 0.00 C ATOM 272 OG SER A 98 -10.435 4.496 -7.304 1.00 0.00 O ATOM 0 H SER A 98 -7.644 3.812 -9.869 1.00 0.00 H new ATOM 0 HA SER A 98 -10.374 4.589 -10.032 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.562 2.975 -8.383 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.447 4.150 -7.714 1.00 0.00 H new ATOM 0 HG SER A 98 -10.083 4.526 -6.390 1.00 0.00 H new ATOM 278 N ALA A 99 -10.396 7.018 -9.725 1.00 0.00 N ATOM 279 CA ALA A 99 -10.474 8.464 -9.577 1.00 0.00 C ATOM 280 C ALA A 99 -10.554 8.859 -8.112 1.00 0.00 C ATOM 281 O ALA A 99 -10.085 9.925 -7.716 1.00 0.00 O ATOM 282 CB ALA A 99 -11.680 9.004 -10.328 1.00 0.00 C ATOM 0 H ALA A 99 -11.184 6.608 -10.226 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.567 8.897 -9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.727 10.087 -10.210 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.590 8.758 -11.386 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.589 8.555 -9.928 1.00 0.00 H new ATOM 288 N THR A 100 -11.132 7.985 -7.307 1.00 0.00 N ATOM 289 CA THR A 100 -11.314 8.269 -5.897 1.00 0.00 C ATOM 290 C THR A 100 -10.007 8.084 -5.134 1.00 0.00 C ATOM 291 O THR A 100 -9.682 8.864 -4.239 1.00 0.00 O ATOM 292 CB THR A 100 -12.406 7.370 -5.285 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.627 7.523 -6.025 1.00 0.00 O ATOM 294 CG2 THR A 100 -12.644 7.722 -3.826 1.00 0.00 C ATOM 0 H THR A 100 -11.482 7.075 -7.606 1.00 0.00 H new ATOM 0 HA THR A 100 -11.631 9.308 -5.810 1.00 0.00 H new ATOM 0 HB THR A 100 -12.071 6.334 -5.339 1.00 0.00 H new ATOM 0 HG1 THR A 100 -14.320 6.949 -5.636 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.419 7.074 -3.417 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.721 7.584 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.963 8.761 -3.750 1.00 0.00 H new ATOM 302 N LEU A 101 -9.236 7.079 -5.523 1.00 0.00 N ATOM 303 CA LEU A 101 -8.002 6.771 -4.825 1.00 0.00 C ATOM 304 C LEU A 101 -6.928 7.784 -5.181 1.00 0.00 C ATOM 305 O LEU A 101 -6.265 8.326 -4.302 1.00 0.00 O ATOM 306 CB LEU A 101 -7.523 5.353 -5.146 1.00 0.00 C ATOM 307 CG LEU A 101 -6.219 4.942 -4.455 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.343 5.082 -2.947 1.00 0.00 C ATOM 309 CD2 LEU A 101 -5.846 3.516 -4.823 1.00 0.00 C ATOM 0 H LEU A 101 -9.443 6.468 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.198 6.825 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.305 4.648 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.389 5.265 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.428 5.608 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.406 4.785 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.563 6.119 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.149 4.442 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.917 3.242 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.641 2.839 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.712 3.442 -5.902 1.00 0.00 H new ATOM 321 N ARG A 102 -6.781 8.060 -6.472 1.00 0.00 N ATOM 322 CA ARG A 102 -5.780 9.015 -6.934 1.00 0.00 C ATOM 323 C ARG A 102 -6.026 10.396 -6.332 1.00 0.00 C ATOM 324 O ARG A 102 -5.081 11.131 -6.065 1.00 0.00 O ATOM 325 CB ARG A 102 -5.766 9.107 -8.461 1.00 0.00 C ATOM 326 CG ARG A 102 -7.123 9.419 -9.062 1.00 0.00 C ATOM 327 CD ARG A 102 -7.013 9.846 -10.515 1.00 0.00 C ATOM 328 NE ARG A 102 -6.442 8.794 -11.354 1.00 0.00 N ATOM 329 CZ ARG A 102 -6.770 8.598 -12.632 1.00 0.00 C ATOM 330 NH1 ARG A 102 -7.668 9.380 -13.221 1.00 0.00 N ATOM 331 NH2 ARG A 102 -6.198 7.617 -13.319 1.00 0.00 N ATOM 0 H ARG A 102 -7.339 7.638 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.807 8.655 -6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.058 9.878 -8.764 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.405 8.164 -8.870 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.763 8.540 -8.989 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.602 10.211 -8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.001 10.112 -10.890 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.394 10.741 -10.584 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.750 8.171 -10.937 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.110 10.134 -12.696 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.915 9.226 -14.198 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.509 7.014 -12.870 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.448 7.466 -14.296 1.00 0.00 H new ATOM 345 N SER A 103 -7.294 10.723 -6.081 1.00 0.00 N ATOM 346 CA SER A 103 -7.656 12.025 -5.530 1.00 0.00 C ATOM 347 C SER A 103 -7.115 12.166 -4.111 1.00 0.00 C ATOM 348 O SER A 103 -6.907 13.273 -3.615 1.00 0.00 O ATOM 349 CB SER A 103 -9.180 12.197 -5.543 1.00 0.00 C ATOM 350 OG SER A 103 -9.558 13.520 -5.191 1.00 0.00 O ATOM 0 H SER A 103 -8.086 10.103 -6.251 1.00 0.00 H new ATOM 0 HA SER A 103 -7.212 12.806 -6.148 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.566 11.959 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.633 11.491 -4.847 1.00 0.00 H new ATOM 0 HG SER A 103 -10.535 13.597 -5.210 1.00 0.00 H new ATOM 356 N LEU A 104 -6.869 11.034 -3.469 1.00 0.00 N ATOM 357 CA LEU A 104 -6.315 11.028 -2.127 1.00 0.00 C ATOM 358 C LEU A 104 -4.808 11.240 -2.193 1.00 0.00 C ATOM 359 O LEU A 104 -4.216 11.863 -1.311 1.00 0.00 O ATOM 360 CB LEU A 104 -6.639 9.707 -1.427 1.00 0.00 C ATOM 361 CG LEU A 104 -8.102 9.264 -1.519 1.00 0.00 C ATOM 362 CD1 LEU A 104 -8.321 7.984 -0.733 1.00 0.00 C ATOM 363 CD2 LEU A 104 -9.033 10.363 -1.031 1.00 0.00 C ATOM 0 H LEU A 104 -7.045 10.108 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.761 11.840 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.011 8.924 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.368 9.795 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.334 9.068 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.366 7.684 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.687 7.195 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.068 8.152 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.066 10.024 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.803 10.600 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.898 11.254 -1.645 1.00 0.00 H new ATOM 375 N LEU A 105 -4.195 10.740 -3.262 1.00 0.00 N ATOM 376 CA LEU A 105 -2.759 10.897 -3.474 1.00 0.00 C ATOM 377 C LEU A 105 -2.409 12.349 -3.788 1.00 0.00 C ATOM 378 O LEU A 105 -1.237 12.726 -3.809 1.00 0.00 O ATOM 379 CB LEU A 105 -2.263 9.986 -4.604 1.00 0.00 C ATOM 380 CG LEU A 105 -1.998 8.521 -4.222 1.00 0.00 C ATOM 381 CD1 LEU A 105 -3.280 7.801 -3.843 1.00 0.00 C ATOM 382 CD2 LEU A 105 -1.300 7.801 -5.364 1.00 0.00 C ATOM 0 H LEU A 105 -4.673 10.220 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.259 10.607 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.999 10.004 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.342 10.408 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.348 8.515 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.053 6.768 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.739 8.301 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.969 7.817 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.117 6.764 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.931 7.830 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.350 8.292 -5.577 1.00 0.00 H new ATOM 394 N LEU A 106 -3.434 13.163 -4.032 1.00 0.00 N ATOM 395 CA LEU A 106 -3.255 14.599 -4.231 1.00 0.00 C ATOM 396 C LEU A 106 -2.777 15.271 -2.944 1.00 0.00 C ATOM 397 O LEU A 106 -2.375 16.433 -2.953 1.00 0.00 O ATOM 398 CB LEU A 106 -4.561 15.241 -4.713 1.00 0.00 C ATOM 399 CG LEU A 106 -4.751 15.322 -6.235 1.00 0.00 C ATOM 400 CD1 LEU A 106 -3.805 16.345 -6.838 1.00 0.00 C ATOM 401 CD2 LEU A 106 -4.535 13.970 -6.894 1.00 0.00 C ATOM 0 H LEU A 106 -4.403 12.850 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.492 14.743 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.395 14.680 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.618 16.250 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.779 15.633 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.955 16.388 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.005 17.325 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.775 16.058 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.677 14.063 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.522 13.624 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.251 13.252 -6.494 1.00 0.00 H new ATOM 413 N ASN A 107 -2.832 14.537 -1.839 1.00 0.00 N ATOM 414 CA ASN A 107 -2.276 15.014 -0.580 1.00 0.00 C ATOM 415 C ASN A 107 -0.794 14.672 -0.517 1.00 0.00 C ATOM 416 O ASN A 107 -0.421 13.496 -0.485 1.00 0.00 O ATOM 417 CB ASN A 107 -2.983 14.381 0.622 1.00 0.00 C ATOM 418 CG ASN A 107 -4.452 14.738 0.714 1.00 0.00 C ATOM 419 OD1 ASN A 107 -4.825 15.761 1.284 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.298 13.875 0.184 1.00 0.00 N ATOM 0 H ASN A 107 -3.256 13.610 -1.790 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.422 16.093 -0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.883 13.297 0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.482 14.698 1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.302 14.046 0.239 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.948 13.037 -0.281 1.00 0.00 H new ATOM 427 N PRO A 108 0.071 15.699 -0.509 1.00 0.00 N ATOM 428 CA PRO A 108 1.526 15.517 -0.433 1.00 0.00 C ATOM 429 C PRO A 108 1.950 14.675 0.767 1.00 0.00 C ATOM 430 O PRO A 108 2.958 13.975 0.720 1.00 0.00 O ATOM 431 CB PRO A 108 2.061 16.939 -0.294 1.00 0.00 C ATOM 432 CG PRO A 108 1.008 17.801 -0.896 1.00 0.00 C ATOM 433 CD PRO A 108 -0.298 17.124 -0.595 1.00 0.00 C ATOM 0 HA PRO A 108 1.908 14.985 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.234 17.196 0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 108 3.013 17.056 -0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.035 18.805 -0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.156 17.905 -1.971 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -0.732 17.484 0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -1.034 17.302 -1.379 1.00 0.00 H new ATOM 441 N HIS A 109 1.173 14.746 1.836 1.00 0.00 N ATOM 442 CA HIS A 109 1.448 13.959 3.030 1.00 0.00 C ATOM 443 C HIS A 109 1.229 12.470 2.764 1.00 0.00 C ATOM 444 O HIS A 109 2.059 11.642 3.133 1.00 0.00 O ATOM 445 CB HIS A 109 0.566 14.434 4.191 1.00 0.00 C ATOM 446 CG HIS A 109 0.680 13.605 5.433 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.565 13.924 6.433 1.00 0.00 N ATOM 448 CD2 HIS A 109 -0.005 12.494 5.787 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.400 13.004 7.368 1.00 0.00 C ATOM 450 NE2 HIS A 109 0.461 12.119 7.021 1.00 0.00 N ATOM 0 H HIS A 109 0.347 15.340 1.902 1.00 0.00 H new ATOM 0 HA HIS A 109 2.494 14.102 3.303 1.00 0.00 H new ATOM 0 HB2 HIS A 109 0.827 15.465 4.431 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.474 14.436 3.864 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.771 11.998 5.209 1.00 0.00 H new ATOM 0 HE1 HIS A 109 1.954 12.972 8.295 1.00 0.00 H new ATOM 0 HE2 HIS A 109 0.150 11.317 7.569 1.00 0.00 H new ATOM 458 N LEU A 110 0.124 12.133 2.103 1.00 0.00 N ATOM 459 CA LEU A 110 -0.228 10.743 1.873 1.00 0.00 C ATOM 460 C LEU A 110 0.773 10.068 0.944 1.00 0.00 C ATOM 461 O LEU A 110 1.136 8.907 1.145 1.00 0.00 O ATOM 462 CB LEU A 110 -1.636 10.637 1.292 1.00 0.00 C ATOM 463 CG LEU A 110 -2.053 9.226 0.885 1.00 0.00 C ATOM 464 CD1 LEU A 110 -2.024 8.288 2.081 1.00 0.00 C ATOM 465 CD2 LEU A 110 -3.430 9.235 0.251 1.00 0.00 C ATOM 0 H LEU A 110 -0.539 12.806 1.719 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.202 10.229 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.347 11.014 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.705 11.287 0.420 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.338 8.862 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.325 7.289 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.014 8.251 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.712 8.651 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.707 8.219 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.156 9.624 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.418 9.868 -0.636 1.00 0.00 H new ATOM 477 N ARG A 111 1.232 10.798 -0.064 1.00 0.00 N ATOM 478 CA ARG A 111 2.197 10.242 -1.006 1.00 0.00 C ATOM 479 C ARG A 111 3.528 9.995 -0.303 1.00 0.00 C ATOM 480 O ARG A 111 4.255 9.062 -0.638 1.00 0.00 O ATOM 481 CB ARG A 111 2.388 11.158 -2.222 1.00 0.00 C ATOM 482 CG ARG A 111 3.051 12.487 -1.910 1.00 0.00 C ATOM 483 CD ARG A 111 3.166 13.359 -3.148 1.00 0.00 C ATOM 484 NE ARG A 111 1.857 13.637 -3.740 1.00 0.00 N ATOM 485 CZ ARG A 111 1.450 14.842 -4.127 1.00 0.00 C ATOM 486 NH1 ARG A 111 2.257 15.892 -4.030 1.00 0.00 N ATOM 487 NH2 ARG A 111 0.232 14.994 -4.623 1.00 0.00 N ATOM 0 H ARG A 111 0.957 11.763 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 111 1.807 9.292 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.987 10.633 -2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.415 11.349 -2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.475 13.011 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 111 4.043 12.311 -1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.654 14.298 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.800 12.864 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 111 1.214 12.855 -3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.199 15.778 -3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.935 16.812 -4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.389 14.189 -4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.086 15.916 -4.922 1.00 0.00 H new ATOM 501 N GLN A 112 3.825 10.823 0.693 1.00 0.00 N ATOM 502 CA GLN A 112 5.033 10.660 1.484 1.00 0.00 C ATOM 503 C GLN A 112 4.902 9.481 2.433 1.00 0.00 C ATOM 504 O GLN A 112 5.886 8.805 2.723 1.00 0.00 O ATOM 505 CB GLN A 112 5.348 11.939 2.263 1.00 0.00 C ATOM 506 CG GLN A 112 5.921 13.041 1.385 1.00 0.00 C ATOM 507 CD GLN A 112 7.187 12.612 0.663 1.00 0.00 C ATOM 508 OE1 GLN A 112 7.964 11.740 1.291 1.00 0.00 O flip ATOM 509 NE2 GLN A 112 7.467 13.061 -0.448 1.00 0.00 N flip ATOM 0 H GLN A 112 3.243 11.614 0.970 1.00 0.00 H new ATOM 0 HA GLN A 112 5.858 10.461 0.801 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.438 12.300 2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 112 6.057 11.709 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.173 13.342 0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.136 13.916 1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.844 13.731 -0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.322 12.764 -0.918 1.00 0.00 H new ATOM 518 N LEU A 113 3.685 9.232 2.906 1.00 0.00 N ATOM 519 CA LEU A 113 3.423 8.081 3.761 1.00 0.00 C ATOM 520 C LEU A 113 3.790 6.791 3.040 1.00 0.00 C ATOM 521 O LEU A 113 4.530 5.965 3.571 1.00 0.00 O ATOM 522 CB LEU A 113 1.953 8.040 4.192 1.00 0.00 C ATOM 523 CG LEU A 113 1.515 9.148 5.154 1.00 0.00 C ATOM 524 CD1 LEU A 113 0.043 8.996 5.502 1.00 0.00 C ATOM 525 CD2 LEU A 113 2.356 9.124 6.420 1.00 0.00 C ATOM 0 H LEU A 113 2.867 9.810 2.712 1.00 0.00 H new ATOM 0 HA LEU A 113 4.040 8.178 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.330 8.091 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.758 7.076 4.663 1.00 0.00 H new ATOM 0 HG LEU A 113 1.662 10.108 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.253 9.791 6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.554 9.059 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.121 8.029 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.028 9.919 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.239 8.161 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.404 9.275 6.163 1.00 0.00 H new ATOM 537 N MET A 114 3.288 6.632 1.818 1.00 0.00 N ATOM 538 CA MET A 114 3.600 5.452 1.016 1.00 0.00 C ATOM 539 C MET A 114 5.105 5.308 0.840 1.00 0.00 C ATOM 540 O MET A 114 5.663 4.245 1.091 1.00 0.00 O ATOM 541 CB MET A 114 2.931 5.518 -0.358 1.00 0.00 C ATOM 542 CG MET A 114 1.418 5.379 -0.321 1.00 0.00 C ATOM 543 SD MET A 114 0.701 5.206 -1.966 1.00 0.00 S ATOM 544 CE MET A 114 1.338 6.662 -2.789 1.00 0.00 C ATOM 0 H MET A 114 2.667 7.301 1.363 1.00 0.00 H new ATOM 0 HA MET A 114 3.212 4.584 1.549 1.00 0.00 H new ATOM 0 HB2 MET A 114 3.186 6.467 -0.829 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.342 4.729 -0.988 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.151 4.511 0.282 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.988 6.252 0.169 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.827 6.793 -3.743 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.168 7.538 -2.163 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.407 6.543 -2.963 1.00 0.00 H new ATOM 554 N VAL A 115 5.754 6.394 0.432 1.00 0.00 N ATOM 555 CA VAL A 115 7.182 6.394 0.194 1.00 0.00 C ATOM 556 C VAL A 115 7.952 6.021 1.460 1.00 0.00 C ATOM 557 O VAL A 115 8.841 5.178 1.422 1.00 0.00 O ATOM 558 CB VAL A 115 7.637 7.773 -0.327 1.00 0.00 C ATOM 559 CG1 VAL A 115 9.145 7.863 -0.373 1.00 0.00 C ATOM 560 CG2 VAL A 115 7.050 8.040 -1.708 1.00 0.00 C ATOM 0 H VAL A 115 5.302 7.292 0.259 1.00 0.00 H new ATOM 0 HA VAL A 115 7.399 5.642 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 115 7.271 8.533 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.440 8.845 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.549 7.717 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.535 7.092 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.381 9.017 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.387 7.270 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.962 8.024 -1.650 1.00 0.00 H new ATOM 570 N ASN A 116 7.584 6.631 2.583 1.00 0.00 N ATOM 571 CA ASN A 116 8.235 6.355 3.861 1.00 0.00 C ATOM 572 C ASN A 116 8.094 4.889 4.254 1.00 0.00 C ATOM 573 O ASN A 116 9.067 4.238 4.637 1.00 0.00 O ATOM 574 CB ASN A 116 7.643 7.229 4.965 1.00 0.00 C ATOM 575 CG ASN A 116 8.234 8.620 4.997 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.385 8.832 4.611 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.452 9.576 5.466 1.00 0.00 N ATOM 0 H ASN A 116 6.836 7.322 2.634 1.00 0.00 H new ATOM 0 HA ASN A 116 9.294 6.584 3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.565 7.301 4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.807 6.748 5.929 1.00 0.00 H new ATOM 0 HD21 ASN A 116 7.795 10.535 5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.505 9.355 5.775 1.00 0.00 H new ATOM 584 N LEU A 117 6.873 4.380 4.164 1.00 0.00 N ATOM 585 CA LEU A 117 6.584 2.994 4.509 1.00 0.00 C ATOM 586 C LEU A 117 7.336 2.040 3.583 1.00 0.00 C ATOM 587 O LEU A 117 7.823 0.992 4.012 1.00 0.00 O ATOM 588 CB LEU A 117 5.074 2.748 4.412 1.00 0.00 C ATOM 589 CG LEU A 117 4.605 1.336 4.759 1.00 0.00 C ATOM 590 CD1 LEU A 117 4.911 1.009 6.211 1.00 0.00 C ATOM 591 CD2 LEU A 117 3.115 1.197 4.483 1.00 0.00 C ATOM 0 H LEU A 117 6.060 4.911 3.852 1.00 0.00 H new ATOM 0 HA LEU A 117 6.916 2.807 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.568 3.451 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.752 2.978 3.396 1.00 0.00 H new ATOM 0 HG LEU A 117 5.145 0.627 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.569 -0.001 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.986 1.074 6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.398 1.719 6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.791 0.187 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.564 1.916 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.921 1.389 3.428 1.00 0.00 H new ATOM 603 N ASP A 118 7.446 2.436 2.323 1.00 0.00 N ATOM 604 CA ASP A 118 8.079 1.620 1.292 1.00 0.00 C ATOM 605 C ASP A 118 9.571 1.437 1.549 1.00 0.00 C ATOM 606 O ASP A 118 10.137 0.385 1.237 1.00 0.00 O ATOM 607 CB ASP A 118 7.864 2.262 -0.079 1.00 0.00 C ATOM 608 CG ASP A 118 8.579 1.526 -1.190 1.00 0.00 C ATOM 609 OD1 ASP A 118 8.028 0.535 -1.706 1.00 0.00 O ATOM 610 OD2 ASP A 118 9.703 1.935 -1.548 1.00 0.00 O ATOM 0 H ASP A 118 7.099 3.333 1.984 1.00 0.00 H new ATOM 0 HA ASP A 118 7.615 0.634 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.797 2.292 -0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.213 3.294 -0.050 1.00 0.00 H new ATOM 615 N GLN A 119 10.208 2.456 2.121 1.00 0.00 N ATOM 616 CA GLN A 119 11.637 2.402 2.411 1.00 0.00 C ATOM 617 C GLN A 119 11.948 1.256 3.364 1.00 0.00 C ATOM 618 O GLN A 119 13.035 0.683 3.340 1.00 0.00 O ATOM 619 CB GLN A 119 12.106 3.729 3.002 1.00 0.00 C ATOM 620 CG GLN A 119 11.638 4.916 2.186 1.00 0.00 C ATOM 621 CD GLN A 119 12.176 6.242 2.670 1.00 0.00 C ATOM 622 OE1 GLN A 119 12.479 6.420 3.849 1.00 0.00 O ATOM 623 NE2 GLN A 119 12.271 7.188 1.758 1.00 0.00 N ATOM 0 H GLN A 119 9.756 3.329 2.393 1.00 0.00 H new ATOM 0 HA GLN A 119 12.173 2.226 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.734 3.822 4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 119 13.195 3.735 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 119 11.937 4.771 1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.549 4.949 2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 119 12.008 6.993 0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 119 12.608 8.115 2.018 1.00 0.00 H new ATOM 632 N GLY A 120 10.964 0.929 4.190 1.00 0.00 N ATOM 633 CA GLY A 120 11.021 -0.271 5.004 1.00 0.00 C ATOM 634 C GLY A 120 12.054 -0.222 6.112 1.00 0.00 C ATOM 635 O GLY A 120 12.580 -1.263 6.510 1.00 0.00 O ATOM 0 H GLY A 120 10.115 1.482 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 120 10.039 -0.444 5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 120 11.236 -1.124 4.360 1.00 0.00 H new ATOM 639 N GLU A 121 12.343 0.967 6.619 1.00 0.00 N ATOM 640 CA GLU A 121 13.265 1.105 7.737 1.00 0.00 C ATOM 641 C GLU A 121 12.579 0.697 9.031 1.00 0.00 C ATOM 642 O GLU A 121 13.053 -0.182 9.750 1.00 0.00 O ATOM 643 CB GLU A 121 13.778 2.539 7.853 1.00 0.00 C ATOM 644 CG GLU A 121 14.614 2.982 6.668 1.00 0.00 C ATOM 645 CD GLU A 121 15.242 4.339 6.885 1.00 0.00 C ATOM 646 OE1 GLU A 121 16.296 4.411 7.550 1.00 0.00 O ATOM 647 OE2 GLU A 121 14.688 5.340 6.388 1.00 0.00 O ATOM 0 H GLU A 121 11.955 1.846 6.277 1.00 0.00 H new ATOM 0 HA GLU A 121 14.117 0.450 7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.928 3.213 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 121 14.373 2.631 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 121 15.397 2.247 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 121 13.989 3.012 5.776 1.00 0.00 H new ATOM 654 N ASP A 122 11.449 1.326 9.311 1.00 0.00 N ATOM 655 CA ASP A 122 10.678 1.016 10.508 1.00 0.00 C ATOM 656 C ASP A 122 9.220 0.811 10.151 1.00 0.00 C ATOM 657 O ASP A 122 8.317 1.264 10.857 1.00 0.00 O ATOM 658 CB ASP A 122 10.814 2.124 11.555 1.00 0.00 C ATOM 659 CG ASP A 122 12.166 2.128 12.237 1.00 0.00 C ATOM 660 OD1 ASP A 122 12.360 1.331 13.178 1.00 0.00 O ATOM 661 OD2 ASP A 122 13.035 2.938 11.851 1.00 0.00 O ATOM 0 H ASP A 122 11.043 2.056 8.725 1.00 0.00 H new ATOM 0 HA ASP A 122 11.074 0.095 10.937 1.00 0.00 H new ATOM 0 HB2 ASP A 122 10.651 3.090 11.077 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.034 2.004 12.307 1.00 0.00 H new ATOM 666 N LYS A 123 9.016 0.124 9.035 1.00 0.00 N ATOM 667 CA LYS A 123 7.687 -0.225 8.538 1.00 0.00 C ATOM 668 C LYS A 123 6.799 -0.818 9.635 1.00 0.00 C ATOM 669 O LYS A 123 5.585 -0.628 9.619 1.00 0.00 O ATOM 670 CB LYS A 123 7.794 -1.221 7.368 1.00 0.00 C ATOM 671 CG LYS A 123 8.441 -2.560 7.726 1.00 0.00 C ATOM 672 CD LYS A 123 9.951 -2.447 7.890 1.00 0.00 C ATOM 673 CE LYS A 123 10.567 -3.737 8.404 1.00 0.00 C ATOM 674 NZ LYS A 123 10.333 -4.879 7.482 1.00 0.00 N ATOM 0 H LYS A 123 9.775 -0.211 8.441 1.00 0.00 H new ATOM 0 HA LYS A 123 7.223 0.699 8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.794 -1.409 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 123 8.369 -0.758 6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.004 -2.936 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.216 -3.289 6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 123 10.401 -2.187 6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 123 10.181 -1.636 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 123 11.639 -3.596 8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 123 10.150 -3.972 9.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.855 -5.712 7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.317 -5.097 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.663 -4.628 6.528 1.00 0.00 H new ATOM 688 N ALA A 124 7.413 -1.520 10.587 1.00 0.00 N ATOM 689 CA ALA A 124 6.677 -2.178 11.662 1.00 0.00 C ATOM 690 C ALA A 124 5.769 -1.205 12.404 1.00 0.00 C ATOM 691 O ALA A 124 4.554 -1.399 12.461 1.00 0.00 O ATOM 692 CB ALA A 124 7.642 -2.836 12.633 1.00 0.00 C ATOM 0 H ALA A 124 8.424 -1.647 10.634 1.00 0.00 H new ATOM 0 HA ALA A 124 6.045 -2.941 11.209 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.080 -3.323 13.430 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.240 -3.578 12.105 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.299 -2.079 13.062 1.00 0.00 H new ATOM 698 N LYS A 125 6.352 -0.151 12.961 1.00 0.00 N ATOM 699 CA LYS A 125 5.576 0.817 13.719 1.00 0.00 C ATOM 700 C LYS A 125 4.860 1.790 12.791 1.00 0.00 C ATOM 701 O LYS A 125 3.812 2.329 13.144 1.00 0.00 O ATOM 702 CB LYS A 125 6.458 1.570 14.723 1.00 0.00 C ATOM 703 CG LYS A 125 7.585 2.376 14.100 1.00 0.00 C ATOM 704 CD LYS A 125 8.426 3.048 15.173 1.00 0.00 C ATOM 705 CE LYS A 125 9.534 3.897 14.576 1.00 0.00 C ATOM 706 NZ LYS A 125 10.375 4.525 15.629 1.00 0.00 N ATOM 0 H LYS A 125 7.350 0.053 12.902 1.00 0.00 H new ATOM 0 HA LYS A 125 4.821 0.269 14.282 1.00 0.00 H new ATOM 0 HB2 LYS A 125 5.828 2.242 15.306 1.00 0.00 H new ATOM 0 HB3 LYS A 125 6.887 0.850 15.420 1.00 0.00 H new ATOM 0 HG2 LYS A 125 8.214 1.723 13.495 1.00 0.00 H new ATOM 0 HG3 LYS A 125 7.172 3.130 13.430 1.00 0.00 H new ATOM 0 HD2 LYS A 125 7.787 3.672 15.797 1.00 0.00 H new ATOM 0 HD3 LYS A 125 8.861 2.288 15.822 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.159 3.279 13.932 1.00 0.00 H new ATOM 0 HE3 LYS A 125 9.099 4.674 13.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.120 5.097 15.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 9.783 5.135 16.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 10.811 3.783 16.214 1.00 0.00 H new ATOM 720 N LEU A 126 5.411 2.000 11.597 1.00 0.00 N ATOM 721 CA LEU A 126 4.776 2.879 10.619 1.00 0.00 C ATOM 722 C LEU A 126 3.413 2.332 10.216 1.00 0.00 C ATOM 723 O LEU A 126 2.451 3.081 10.112 1.00 0.00 O ATOM 724 CB LEU A 126 5.655 3.065 9.378 1.00 0.00 C ATOM 725 CG LEU A 126 6.957 3.840 9.598 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.793 3.849 8.328 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.683 5.265 10.054 1.00 0.00 C ATOM 0 H LEU A 126 6.286 1.578 11.286 1.00 0.00 H new ATOM 0 HA LEU A 126 4.644 3.854 11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.902 2.081 8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.071 3.580 8.615 1.00 0.00 H new ATOM 0 HG LEU A 126 7.515 3.334 10.386 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.715 4.404 8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 126 8.035 2.825 8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.230 4.325 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.628 5.788 10.201 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.096 5.783 9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.129 5.247 10.992 1.00 0.00 H new ATOM 739 N MET A 127 3.325 1.019 10.020 1.00 0.00 N ATOM 740 CA MET A 127 2.056 0.380 9.668 1.00 0.00 C ATOM 741 C MET A 127 0.953 0.777 10.641 1.00 0.00 C ATOM 742 O MET A 127 -0.182 1.018 10.242 1.00 0.00 O ATOM 743 CB MET A 127 2.202 -1.144 9.658 1.00 0.00 C ATOM 744 CG MET A 127 2.903 -1.700 8.426 1.00 0.00 C ATOM 745 SD MET A 127 1.759 -2.250 7.138 1.00 0.00 S ATOM 746 CE MET A 127 0.872 -0.740 6.760 1.00 0.00 C ATOM 0 H MET A 127 4.114 0.377 10.098 1.00 0.00 H new ATOM 0 HA MET A 127 1.783 0.721 8.669 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.756 -1.450 10.545 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.211 -1.592 9.731 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.561 -0.935 8.015 1.00 0.00 H new ATOM 0 HG3 MET A 127 3.534 -2.537 8.723 1.00 0.00 H new ATOM 0 HE1 MET A 127 0.321 -0.866 5.828 1.00 0.00 H new ATOM 0 HE2 MET A 127 0.175 -0.516 7.567 1.00 0.00 H new ATOM 0 HE3 MET A 127 1.581 0.081 6.654 1.00 0.00 H new ATOM 756 N ARG A 128 1.306 0.867 11.914 1.00 0.00 N ATOM 757 CA ARG A 128 0.349 1.219 12.952 1.00 0.00 C ATOM 758 C ARG A 128 0.149 2.727 13.013 1.00 0.00 C ATOM 759 O ARG A 128 -0.979 3.212 13.122 1.00 0.00 O ATOM 760 CB ARG A 128 0.836 0.709 14.306 1.00 0.00 C ATOM 761 CG ARG A 128 1.083 -0.791 14.346 1.00 0.00 C ATOM 762 CD ARG A 128 1.614 -1.219 15.701 1.00 0.00 C ATOM 763 NE ARG A 128 0.717 -0.815 16.780 1.00 0.00 N ATOM 764 CZ ARG A 128 1.121 -0.301 17.939 1.00 0.00 C ATOM 765 NH1 ARG A 128 2.416 -0.157 18.197 1.00 0.00 N ATOM 766 NH2 ARG A 128 0.223 0.069 18.840 1.00 0.00 N ATOM 0 H ARG A 128 2.253 0.700 12.254 1.00 0.00 H new ATOM 0 HA ARG A 128 -0.605 0.751 12.711 1.00 0.00 H new ATOM 0 HB2 ARG A 128 1.759 1.227 14.568 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.099 0.967 15.067 1.00 0.00 H new ATOM 0 HG2 ARG A 128 0.156 -1.322 14.131 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.796 -1.067 13.569 1.00 0.00 H new ATOM 0 HD2 ARG A 128 1.740 -2.302 15.718 1.00 0.00 H new ATOM 0 HD3 ARG A 128 2.599 -0.780 15.862 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.286 -0.935 16.636 1.00 0.00 H new ATOM 0 HH11 ARG A 128 3.109 -0.441 17.504 1.00 0.00 H new ATOM 0 HH12 ARG A 128 2.718 0.238 19.088 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -0.772 -0.041 18.643 1.00 0.00 H new ATOM 0 HH22 ARG A 128 0.526 0.464 19.730 1.00 0.00 H new ATOM 780 N ALA A 129 1.249 3.463 12.928 1.00 0.00 N ATOM 781 CA ALA A 129 1.215 4.918 13.011 1.00 0.00 C ATOM 782 C ALA A 129 0.437 5.527 11.848 1.00 0.00 C ATOM 783 O ALA A 129 -0.125 6.610 11.972 1.00 0.00 O ATOM 784 CB ALA A 129 2.628 5.480 13.052 1.00 0.00 C ATOM 0 H ALA A 129 2.183 3.073 12.801 1.00 0.00 H new ATOM 0 HA ALA A 129 0.700 5.185 13.934 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.585 6.567 13.114 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.151 5.087 13.924 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.162 5.189 12.147 1.00 0.00 H new ATOM 790 N TYR A 130 0.399 4.827 10.725 1.00 0.00 N ATOM 791 CA TYR A 130 -0.296 5.326 9.544 1.00 0.00 C ATOM 792 C TYR A 130 -1.798 5.081 9.647 1.00 0.00 C ATOM 793 O TYR A 130 -2.590 5.736 8.973 1.00 0.00 O ATOM 794 CB TYR A 130 0.253 4.672 8.274 1.00 0.00 C ATOM 795 CG TYR A 130 1.659 5.102 7.899 1.00 0.00 C ATOM 796 CD1 TYR A 130 2.116 4.967 6.598 1.00 0.00 C ATOM 797 CD2 TYR A 130 2.531 5.637 8.843 1.00 0.00 C ATOM 798 CE1 TYR A 130 3.393 5.348 6.249 1.00 0.00 C ATOM 799 CE2 TYR A 130 3.808 6.018 8.500 1.00 0.00 C ATOM 800 CZ TYR A 130 4.235 5.871 7.202 1.00 0.00 C ATOM 801 OH TYR A 130 5.509 6.249 6.856 1.00 0.00 O ATOM 0 H TYR A 130 0.839 3.915 10.604 1.00 0.00 H new ATOM 0 HA TYR A 130 -0.123 6.401 9.489 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.241 3.590 8.404 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.416 4.901 7.445 1.00 0.00 H new ATOM 0 HD1 TYR A 130 1.460 4.556 5.845 1.00 0.00 H new ATOM 0 HD2 TYR A 130 2.199 5.755 9.864 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.732 5.236 5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 130 4.471 6.430 9.246 1.00 0.00 H new ATOM 0 HH TYR A 130 5.798 6.989 7.430 1.00 0.00 H new ATOM 811 N MET A 131 -2.189 4.154 10.513 1.00 0.00 N ATOM 812 CA MET A 131 -3.596 3.786 10.657 1.00 0.00 C ATOM 813 C MET A 131 -4.362 4.826 11.471 1.00 0.00 C ATOM 814 O MET A 131 -5.578 4.730 11.625 1.00 0.00 O ATOM 815 CB MET A 131 -3.732 2.408 11.313 1.00 0.00 C ATOM 816 CG MET A 131 -3.192 1.256 10.476 1.00 0.00 C ATOM 817 SD MET A 131 -4.396 0.565 9.315 1.00 0.00 S ATOM 818 CE MET A 131 -4.596 1.896 8.130 1.00 0.00 C ATOM 0 H MET A 131 -1.554 3.643 11.126 1.00 0.00 H new ATOM 0 HA MET A 131 -4.028 3.747 9.657 1.00 0.00 H new ATOM 0 HB2 MET A 131 -3.210 2.422 12.270 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.785 2.223 11.527 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.322 1.602 9.918 1.00 0.00 H new ATOM 0 HG3 MET A 131 -2.850 0.465 11.143 1.00 0.00 H new ATOM 0 HE1 MET A 131 -4.958 1.491 7.185 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.315 2.620 8.514 1.00 0.00 H new ATOM 0 HE3 MET A 131 -3.636 2.388 7.970 1.00 0.00 H new ATOM 828 N GLN A 132 -3.647 5.814 11.994 1.00 0.00 N ATOM 829 CA GLN A 132 -4.280 6.885 12.761 1.00 0.00 C ATOM 830 C GLN A 132 -4.435 8.137 11.902 1.00 0.00 C ATOM 831 O GLN A 132 -5.089 9.102 12.300 1.00 0.00 O ATOM 832 CB GLN A 132 -3.451 7.217 14.003 1.00 0.00 C ATOM 833 CG GLN A 132 -2.159 7.942 13.683 1.00 0.00 C ATOM 834 CD GLN A 132 -1.271 8.139 14.890 1.00 0.00 C ATOM 835 OE1 GLN A 132 -1.744 8.271 16.019 1.00 0.00 O ATOM 836 NE2 GLN A 132 0.027 8.151 14.653 1.00 0.00 N ATOM 0 H GLN A 132 -2.635 5.898 11.903 1.00 0.00 H new ATOM 0 HA GLN A 132 -5.266 6.541 13.072 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -4.048 7.832 14.676 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -3.220 6.294 14.535 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.612 7.380 12.926 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.393 8.914 13.250 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.372 8.038 13.700 1.00 0.00 H new ATOM 0 HE22 GLN A 132 0.685 8.273 15.423 1.00 0.00 H new ATOM 845 N GLU A 133 -3.836 8.112 10.720 1.00 0.00 N ATOM 846 CA GLU A 133 -3.814 9.272 9.851 1.00 0.00 C ATOM 847 C GLU A 133 -4.963 9.195 8.865 1.00 0.00 C ATOM 848 O GLU A 133 -5.023 8.272 8.053 1.00 0.00 O ATOM 849 CB GLU A 133 -2.492 9.333 9.091 1.00 0.00 C ATOM 850 CG GLU A 133 -1.282 9.067 9.966 1.00 0.00 C ATOM 851 CD GLU A 133 -0.257 10.172 9.902 1.00 0.00 C ATOM 852 OE1 GLU A 133 0.502 10.222 8.917 1.00 0.00 O ATOM 853 OE2 GLU A 133 -0.208 10.999 10.840 1.00 0.00 O ATOM 0 H GLU A 133 -3.357 7.294 10.342 1.00 0.00 H new ATOM 0 HA GLU A 133 -3.917 10.171 10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -2.513 8.604 8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.390 10.316 8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.607 8.940 10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.818 8.129 9.660 1.00 0.00 H new ATOM 860 N PRO A 134 -5.881 10.174 8.908 1.00 0.00 N ATOM 861 CA PRO A 134 -7.086 10.174 8.072 1.00 0.00 C ATOM 862 C PRO A 134 -6.756 10.078 6.588 1.00 0.00 C ATOM 863 O PRO A 134 -7.557 9.592 5.797 1.00 0.00 O ATOM 864 CB PRO A 134 -7.759 11.516 8.389 1.00 0.00 C ATOM 865 CG PRO A 134 -6.703 12.339 9.044 1.00 0.00 C ATOM 866 CD PRO A 134 -5.817 11.368 9.764 1.00 0.00 C ATOM 0 HA PRO A 134 -7.722 9.314 8.281 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.126 11.996 7.482 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.617 11.380 9.047 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.139 12.910 8.307 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -7.141 13.057 9.737 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -4.798 11.744 9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -6.177 11.163 10.772 1.00 0.00 H new ATOM 874 N LEU A 135 -5.555 10.506 6.228 1.00 0.00 N ATOM 875 CA LEU A 135 -5.126 10.474 4.839 1.00 0.00 C ATOM 876 C LEU A 135 -4.884 9.036 4.402 1.00 0.00 C ATOM 877 O LEU A 135 -5.291 8.622 3.316 1.00 0.00 O ATOM 878 CB LEU A 135 -3.847 11.293 4.630 1.00 0.00 C ATOM 879 CG LEU A 135 -3.937 12.770 5.013 1.00 0.00 C ATOM 880 CD1 LEU A 135 -3.551 12.981 6.468 1.00 0.00 C ATOM 881 CD2 LEU A 135 -3.070 13.608 4.093 1.00 0.00 C ATOM 0 H LEU A 135 -4.862 10.879 6.877 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.919 10.915 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -3.045 10.835 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -3.561 11.225 3.580 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.972 13.092 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.624 14.040 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -4.225 12.413 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -2.527 12.641 6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.145 14.657 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -2.033 13.283 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -3.408 13.487 3.064 1.00 0.00 H new ATOM 893 N PHE A 136 -4.240 8.276 5.274 1.00 0.00 N ATOM 894 CA PHE A 136 -3.876 6.906 4.970 1.00 0.00 C ATOM 895 C PHE A 136 -5.065 5.984 5.205 1.00 0.00 C ATOM 896 O PHE A 136 -5.220 4.974 4.526 1.00 0.00 O ATOM 897 CB PHE A 136 -2.690 6.485 5.834 1.00 0.00 C ATOM 898 CG PHE A 136 -1.974 5.263 5.338 1.00 0.00 C ATOM 899 CD1 PHE A 136 -2.254 4.016 5.865 1.00 0.00 C ATOM 900 CD2 PHE A 136 -1.004 5.371 4.354 1.00 0.00 C ATOM 901 CE1 PHE A 136 -1.581 2.895 5.419 1.00 0.00 C ATOM 902 CE2 PHE A 136 -0.330 4.253 3.902 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.617 3.015 4.438 1.00 0.00 C ATOM 0 H PHE A 136 -3.958 8.590 6.203 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.588 6.834 3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -1.981 7.312 5.887 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.041 6.300 6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -3.007 3.917 6.633 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.773 6.340 3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -1.809 1.926 5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 136 0.420 4.348 3.131 1.00 0.00 H new ATOM 0 HZ PHE A 136 -0.088 2.140 4.090 1.00 0.00 H new ATOM 913 N VAL A 137 -5.905 6.347 6.168 1.00 0.00 N ATOM 914 CA VAL A 137 -7.114 5.587 6.455 1.00 0.00 C ATOM 915 C VAL A 137 -8.043 5.584 5.244 1.00 0.00 C ATOM 916 O VAL A 137 -8.594 4.542 4.876 1.00 0.00 O ATOM 917 CB VAL A 137 -7.856 6.150 7.686 1.00 0.00 C ATOM 918 CG1 VAL A 137 -9.150 5.393 7.939 1.00 0.00 C ATOM 919 CG2 VAL A 137 -6.963 6.088 8.916 1.00 0.00 C ATOM 0 H VAL A 137 -5.770 7.164 6.763 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.814 4.563 6.678 1.00 0.00 H new ATOM 0 HB VAL A 137 -8.106 7.191 7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -9.651 5.811 8.812 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.800 5.483 7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -8.927 4.341 8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.500 6.488 9.776 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -6.685 5.052 9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -6.063 6.679 8.743 1.00 0.00 H new ATOM 929 N GLU A 138 -8.197 6.747 4.613 1.00 0.00 N ATOM 930 CA GLU A 138 -9.001 6.849 3.399 1.00 0.00 C ATOM 931 C GLU A 138 -8.348 6.066 2.274 1.00 0.00 C ATOM 932 O GLU A 138 -9.019 5.352 1.531 1.00 0.00 O ATOM 933 CB GLU A 138 -9.178 8.307 2.968 1.00 0.00 C ATOM 934 CG GLU A 138 -9.881 9.165 3.999 1.00 0.00 C ATOM 935 CD GLU A 138 -10.204 10.552 3.486 1.00 0.00 C ATOM 936 OE1 GLU A 138 -9.268 11.358 3.298 1.00 0.00 O ATOM 937 OE2 GLU A 138 -11.403 10.845 3.279 1.00 0.00 O ATOM 0 H GLU A 138 -7.779 7.625 4.920 1.00 0.00 H new ATOM 0 HA GLU A 138 -9.984 6.432 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -8.198 8.736 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -9.745 8.335 2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -10.803 8.673 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -9.253 9.248 4.886 1.00 0.00 H new ATOM 944 N PHE A 139 -7.031 6.201 2.170 1.00 0.00 N ATOM 945 CA PHE A 139 -6.256 5.496 1.160 1.00 0.00 C ATOM 946 C PHE A 139 -6.470 3.995 1.288 1.00 0.00 C ATOM 947 O PHE A 139 -6.780 3.312 0.310 1.00 0.00 O ATOM 948 CB PHE A 139 -4.772 5.845 1.318 1.00 0.00 C ATOM 949 CG PHE A 139 -3.844 5.025 0.468 1.00 0.00 C ATOM 950 CD1 PHE A 139 -3.138 3.967 1.019 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.678 5.310 -0.874 1.00 0.00 C ATOM 952 CE1 PHE A 139 -2.283 3.210 0.244 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.824 4.555 -1.656 1.00 0.00 C ATOM 954 CZ PHE A 139 -2.127 3.503 -1.096 1.00 0.00 C ATOM 0 H PHE A 139 -6.474 6.799 2.780 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.588 5.805 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.632 6.898 1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.492 5.720 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -3.258 3.732 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -4.221 6.132 -1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -1.737 2.389 0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.702 4.788 -2.704 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.461 2.910 -1.705 1.00 0.00 H new ATOM 964 N ALA A 140 -6.340 3.504 2.511 1.00 0.00 N ATOM 965 CA ALA A 140 -6.460 2.086 2.795 1.00 0.00 C ATOM 966 C ALA A 140 -7.858 1.571 2.489 1.00 0.00 C ATOM 967 O ALA A 140 -8.017 0.568 1.796 1.00 0.00 O ATOM 968 CB ALA A 140 -6.100 1.812 4.246 1.00 0.00 C ATOM 0 H ALA A 140 -6.149 4.078 3.332 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.764 1.554 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.193 0.745 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -5.074 2.128 4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.775 2.366 4.899 1.00 0.00 H new ATOM 974 N ASP A 141 -8.870 2.282 2.967 1.00 0.00 N ATOM 975 CA ASP A 141 -10.248 1.819 2.842 1.00 0.00 C ATOM 976 C ASP A 141 -10.675 1.811 1.381 1.00 0.00 C ATOM 977 O ASP A 141 -11.536 1.030 0.972 1.00 0.00 O ATOM 978 CB ASP A 141 -11.188 2.704 3.660 1.00 0.00 C ATOM 979 CG ASP A 141 -12.587 2.128 3.753 1.00 0.00 C ATOM 980 OD1 ASP A 141 -12.850 1.336 4.686 1.00 0.00 O ATOM 981 OD2 ASP A 141 -13.432 2.458 2.898 1.00 0.00 O ATOM 0 H ASP A 141 -8.765 3.178 3.443 1.00 0.00 H new ATOM 0 HA ASP A 141 -10.304 0.802 3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.782 2.830 4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -11.235 3.695 3.208 1.00 0.00 H new ATOM 986 N CYS A 142 -10.048 2.673 0.597 1.00 0.00 N ATOM 987 CA CYS A 142 -10.341 2.768 -0.820 1.00 0.00 C ATOM 988 C CYS A 142 -9.642 1.662 -1.600 1.00 0.00 C ATOM 989 O CYS A 142 -10.272 0.969 -2.396 1.00 0.00 O ATOM 990 CB CYS A 142 -9.925 4.137 -1.351 1.00 0.00 C ATOM 991 SG CYS A 142 -10.938 5.497 -0.729 1.00 0.00 S ATOM 0 H CYS A 142 -9.329 3.319 0.922 1.00 0.00 H new ATOM 0 HA CYS A 142 -11.416 2.647 -0.955 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -8.884 4.319 -1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -9.977 4.126 -2.440 1.00 0.00 H new ATOM 0 HG CYS A 142 -10.466 5.903 0.412 1.00 0.00 H new ATOM 997 N CYS A 143 -8.347 1.474 -1.350 1.00 0.00 N ATOM 998 CA CYS A 143 -7.565 0.505 -2.107 1.00 0.00 C ATOM 999 C CYS A 143 -8.069 -0.913 -1.865 1.00 0.00 C ATOM 1000 O CYS A 143 -7.970 -1.770 -2.742 1.00 0.00 O ATOM 1001 CB CYS A 143 -6.078 0.615 -1.759 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.689 0.308 -0.022 1.00 0.00 S ATOM 0 H CYS A 143 -7.823 1.977 -0.634 1.00 0.00 H new ATOM 0 HA CYS A 143 -7.687 0.731 -3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.521 -0.093 -2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -5.729 1.612 -2.025 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.787 0.299 0.674 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.633 -1.152 -0.681 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.177 -2.461 -0.349 1.00 0.00 C ATOM 1010 C LEU A 144 -10.275 -2.846 -1.329 1.00 0.00 C ATOM 1011 O LEU A 144 -10.210 -3.896 -1.961 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.731 -2.482 1.079 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.717 -2.184 2.184 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -9.362 -2.316 3.551 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.510 -3.100 2.070 1.00 0.00 C ATOM 0 H LEU A 144 -8.723 -0.456 0.059 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.365 -3.185 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.540 -1.755 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -10.168 -3.463 1.266 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.375 -1.156 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.624 -2.100 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -10.190 -1.611 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.736 -3.332 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.802 -2.870 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.831 -4.138 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -7.030 -2.950 1.103 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.253 -1.961 -1.495 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.396 -2.262 -2.341 1.00 0.00 C ATOM 1029 C GLY A 145 -12.018 -2.392 -3.804 1.00 0.00 C ATOM 1030 O GLY A 145 -12.791 -2.909 -4.614 1.00 0.00 O ATOM 0 H GLY A 145 -11.275 -1.039 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.858 -3.190 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -13.143 -1.476 -2.231 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.831 -1.921 -4.141 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.344 -1.988 -5.503 1.00 0.00 C ATOM 1036 C ILE A 146 -9.610 -3.306 -5.761 1.00 0.00 C ATOM 1037 O ILE A 146 -9.560 -3.788 -6.893 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.413 -0.795 -5.803 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -10.139 0.518 -5.506 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -8.945 -0.824 -7.250 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -9.239 1.731 -5.531 1.00 0.00 C ATOM 0 H ILE A 146 -10.184 -1.485 -3.484 1.00 0.00 H new ATOM 0 HA ILE A 146 -11.205 -1.940 -6.169 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.535 -0.870 -5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -10.937 0.654 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -10.611 0.448 -4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.290 0.027 -7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.401 -1.749 -7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -9.809 -0.770 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -9.825 2.623 -5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -8.455 1.618 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -8.786 1.828 -6.518 1.00 0.00 H new ATOM 1053 N VAL A 147 -9.060 -3.905 -4.709 1.00 0.00 N ATOM 1054 CA VAL A 147 -8.310 -5.143 -4.865 1.00 0.00 C ATOM 1055 C VAL A 147 -9.120 -6.349 -4.403 1.00 0.00 C ATOM 1056 O VAL A 147 -8.750 -7.492 -4.678 1.00 0.00 O ATOM 1057 CB VAL A 147 -6.969 -5.111 -4.106 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -6.154 -3.886 -4.495 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -7.190 -5.168 -2.604 1.00 0.00 C ATOM 0 H VAL A 147 -9.119 -3.558 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 147 -8.102 -5.237 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 147 -6.400 -5.996 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -5.212 -3.886 -3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -5.950 -3.910 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.715 -2.984 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -6.227 -5.144 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -7.788 -4.312 -2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -7.714 -6.089 -2.348 1.00 0.00 H new ATOM 1069 N GLU A 148 -10.209 -6.096 -3.685 1.00 0.00 N ATOM 1070 CA GLU A 148 -11.099 -7.162 -3.252 1.00 0.00 C ATOM 1071 C GLU A 148 -11.882 -7.715 -4.436 1.00 0.00 C ATOM 1072 O GLU A 148 -12.638 -6.988 -5.083 1.00 0.00 O ATOM 1073 CB GLU A 148 -12.070 -6.666 -2.176 1.00 0.00 C ATOM 1074 CG GLU A 148 -11.410 -6.391 -0.834 1.00 0.00 C ATOM 1075 CD GLU A 148 -12.386 -5.882 0.207 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -12.572 -4.654 0.309 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -12.976 -6.710 0.935 1.00 0.00 O ATOM 0 H GLU A 148 -10.495 -5.162 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 148 -10.486 -7.956 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -12.552 -5.754 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -12.856 -7.409 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -10.942 -7.306 -0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -10.615 -5.658 -0.969 1.00 0.00 H new ATOM 1084 N PRO A 149 -11.692 -9.010 -4.743 1.00 0.00 N ATOM 1085 CA PRO A 149 -12.406 -9.681 -5.833 1.00 0.00 C ATOM 1086 C PRO A 149 -13.913 -9.714 -5.594 1.00 0.00 C ATOM 1087 O PRO A 149 -14.703 -9.884 -6.525 1.00 0.00 O ATOM 1088 CB PRO A 149 -11.826 -11.100 -5.839 1.00 0.00 C ATOM 1089 CG PRO A 149 -11.200 -11.277 -4.496 1.00 0.00 C ATOM 1090 CD PRO A 149 -10.750 -9.912 -4.062 1.00 0.00 C ATOM 0 HA PRO A 149 -12.277 -9.162 -6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 149 -12.605 -11.842 -6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 149 -11.091 -11.221 -6.634 1.00 0.00 H new ATOM 0 HG2 PRO A 149 -11.913 -11.696 -3.786 1.00 0.00 H new ATOM 0 HG3 PRO A 149 -10.358 -11.967 -4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 149 -10.797 -9.799 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 149 -9.720 -9.715 -4.359 1.00 0.00 H new ATOM 1098 N SER A 150 -14.303 -9.557 -4.336 1.00 0.00 N ATOM 1099 CA SER A 150 -15.704 -9.446 -3.979 1.00 0.00 C ATOM 1100 C SER A 150 -16.203 -8.039 -4.287 1.00 0.00 C ATOM 1101 O SER A 150 -15.893 -7.092 -3.566 1.00 0.00 O ATOM 1102 CB SER A 150 -15.893 -9.759 -2.491 1.00 0.00 C ATOM 1103 OG SER A 150 -15.328 -11.017 -2.161 1.00 0.00 O ATOM 0 H SER A 150 -13.662 -9.504 -3.544 1.00 0.00 H new ATOM 0 HA SER A 150 -16.280 -10.164 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 150 -15.428 -8.978 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 150 -16.955 -9.758 -2.248 1.00 0.00 H new ATOM 0 HG SER A 150 -15.459 -11.194 -1.206 1.00 0.00 H new ATOM 1109 N GLN A 151 -16.953 -7.901 -5.371 1.00 0.00 N ATOM 1110 CA GLN A 151 -17.480 -6.604 -5.770 1.00 0.00 C ATOM 1111 C GLN A 151 -18.497 -6.098 -4.760 1.00 0.00 C ATOM 1112 O GLN A 151 -19.330 -6.863 -4.266 1.00 0.00 O ATOM 1113 CB GLN A 151 -18.128 -6.685 -7.151 1.00 0.00 C ATOM 1114 CG GLN A 151 -17.141 -6.796 -8.305 1.00 0.00 C ATOM 1115 CD GLN A 151 -16.256 -5.569 -8.457 1.00 0.00 C ATOM 1116 OE1 GLN A 151 -15.878 -4.925 -7.477 1.00 0.00 O ATOM 1117 NE2 GLN A 151 -15.949 -5.216 -9.692 1.00 0.00 N ATOM 0 H GLN A 151 -17.210 -8.670 -5.989 1.00 0.00 H new ATOM 0 HA GLN A 151 -16.644 -5.905 -5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -18.795 -7.547 -7.176 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -18.746 -5.799 -7.301 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -16.512 -7.673 -8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -17.692 -6.955 -9.232 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -16.280 -5.774 -10.479 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -15.381 -4.385 -9.859 1.00 0.00 H new ATOM 1126 N ASN A 152 -18.415 -4.811 -4.454 1.00 0.00 N ATOM 1127 CA ASN A 152 -19.349 -4.176 -3.537 1.00 0.00 C ATOM 1128 C ASN A 152 -20.746 -4.160 -4.135 1.00 0.00 C ATOM 1129 O ASN A 152 -20.944 -3.707 -5.263 1.00 0.00 O ATOM 1130 CB ASN A 152 -18.899 -2.748 -3.210 1.00 0.00 C ATOM 1131 CG ASN A 152 -19.936 -1.970 -2.417 1.00 0.00 C ATOM 1132 OD1 ASN A 152 -20.762 -1.256 -2.983 1.00 0.00 O ATOM 1133 ND2 ASN A 152 -19.900 -2.102 -1.102 1.00 0.00 N ATOM 0 H ASN A 152 -17.705 -4.183 -4.831 1.00 0.00 H new ATOM 0 HA ASN A 152 -19.368 -4.753 -2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -17.969 -2.786 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -18.685 -2.218 -4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -20.573 -1.602 -0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -19.200 -2.704 -0.669 1.00 0.00 H new ATOM 1140 N GLU A 153 -21.701 -4.675 -3.378 1.00 0.00 N ATOM 1141 CA GLU A 153 -23.081 -4.726 -3.821 1.00 0.00 C ATOM 1142 C GLU A 153 -23.687 -3.334 -3.836 1.00 0.00 C ATOM 1143 O GLU A 153 -23.608 -2.596 -2.852 1.00 0.00 O ATOM 1144 CB GLU A 153 -23.894 -5.648 -2.922 1.00 0.00 C ATOM 1145 CG GLU A 153 -23.561 -7.120 -3.104 1.00 0.00 C ATOM 1146 CD GLU A 153 -24.024 -7.650 -4.444 1.00 0.00 C ATOM 1147 OE1 GLU A 153 -23.277 -7.524 -5.440 1.00 0.00 O ATOM 1148 OE2 GLU A 153 -25.148 -8.189 -4.511 1.00 0.00 O ATOM 0 H GLU A 153 -21.542 -5.065 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 153 -23.102 -5.123 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -23.724 -5.371 -1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -24.954 -5.496 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -22.484 -7.261 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -24.028 -7.698 -2.306 1.00 0.00 H new ATOM 1155 N GLU A 154 -24.290 -2.985 -4.953 1.00 0.00 N ATOM 1156 CA GLU A 154 -24.840 -1.660 -5.137 1.00 0.00 C ATOM 1157 C GLU A 154 -26.137 -1.740 -5.932 1.00 0.00 C ATOM 1158 O GLU A 154 -26.127 -1.763 -7.165 1.00 0.00 O ATOM 1159 CB GLU A 154 -23.822 -0.774 -5.856 1.00 0.00 C ATOM 1160 CG GLU A 154 -24.171 0.701 -5.837 1.00 0.00 C ATOM 1161 CD GLU A 154 -23.181 1.532 -6.618 1.00 0.00 C ATOM 1162 OE1 GLU A 154 -23.462 1.849 -7.790 1.00 0.00 O ATOM 1163 OE2 GLU A 154 -22.113 1.874 -6.068 1.00 0.00 O ATOM 0 H GLU A 154 -24.412 -3.607 -5.753 1.00 0.00 H new ATOM 0 HA GLU A 154 -25.059 -1.222 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -22.844 -0.912 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -23.735 -1.104 -6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -25.169 0.842 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -24.203 1.052 -4.805 1.00 0.00 H new ATOM 1170 N SER A 155 -27.247 -1.813 -5.216 1.00 0.00 N ATOM 1171 CA SER A 155 -28.557 -1.900 -5.838 1.00 0.00 C ATOM 1172 C SER A 155 -28.991 -0.532 -6.362 1.00 0.00 C ATOM 1173 O SER A 155 -28.992 -0.338 -7.595 1.00 0.00 O ATOM 1174 CB SER A 155 -29.576 -2.445 -4.835 1.00 0.00 C ATOM 1175 OG SER A 155 -29.146 -3.688 -4.297 1.00 0.00 O ATOM 1176 OXT SER A 155 -29.294 0.357 -5.537 1.00 0.00 O ATOM 0 H SER A 155 -27.266 -1.814 -4.196 1.00 0.00 H new ATOM 0 HA SER A 155 -28.502 -2.585 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 155 -29.719 -1.726 -4.029 1.00 0.00 H new ATOM 0 HB3 SER A 155 -30.542 -2.571 -5.324 1.00 0.00 H new ATOM 0 HG SER A 155 -29.812 -4.016 -3.657 1.00 0.00 H new TER 1182 SER A 155 ATOM 1183 N ASP B 462 -9.768 -8.066 8.017 1.00 0.00 N ATOM 1184 CA ASP B 462 -8.718 -8.459 8.985 1.00 0.00 C ATOM 1185 C ASP B 462 -7.509 -7.566 8.813 1.00 0.00 C ATOM 1186 O ASP B 462 -6.910 -7.519 7.740 1.00 0.00 O ATOM 1187 CB ASP B 462 -8.299 -9.915 8.774 1.00 0.00 C ATOM 1188 CG ASP B 462 -9.436 -10.892 8.971 1.00 0.00 C ATOM 1189 OD1 ASP B 462 -9.684 -11.300 10.123 1.00 0.00 O ATOM 1190 OD2 ASP B 462 -10.074 -11.267 7.969 1.00 0.00 O ATOM 0 HA ASP B 462 -9.123 -8.352 9.991 1.00 0.00 H new ATOM 0 HB2 ASP B 462 -7.899 -10.030 7.766 1.00 0.00 H new ATOM 0 HB3 ASP B 462 -7.493 -10.159 9.466 1.00 0.00 H new ATOM 1197 N ILE B 463 -7.149 -6.872 9.885 1.00 0.00 N ATOM 1198 CA ILE B 463 -6.082 -5.879 9.852 1.00 0.00 C ATOM 1199 C ILE B 463 -4.745 -6.500 9.449 1.00 0.00 C ATOM 1200 O ILE B 463 -3.958 -5.876 8.738 1.00 0.00 O ATOM 1201 CB ILE B 463 -5.943 -5.167 11.218 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -7.285 -4.552 11.625 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -4.862 -4.095 11.165 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -7.256 -3.847 12.965 1.00 0.00 C ATOM 0 H ILE B 463 -7.587 -6.981 10.800 1.00 0.00 H new ATOM 0 HA ILE B 463 -6.356 -5.142 9.097 1.00 0.00 H new ATOM 0 HB ILE B 463 -5.649 -5.905 11.964 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -7.595 -3.842 10.859 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -8.039 -5.338 11.655 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -4.784 -3.609 12.137 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -3.907 -4.554 10.911 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -5.121 -3.354 10.409 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -8.243 -3.438 13.183 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -6.978 -4.557 13.744 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -6.527 -3.038 12.935 1.00 0.00 H new ATOM 1216 N ARG B 464 -4.497 -7.733 9.888 1.00 0.00 N ATOM 1217 CA ARG B 464 -3.283 -8.451 9.496 1.00 0.00 C ATOM 1218 C ARG B 464 -3.219 -8.589 7.978 1.00 0.00 C ATOM 1219 O ARG B 464 -2.167 -8.402 7.362 1.00 0.00 O ATOM 1220 CB ARG B 464 -3.239 -9.839 10.138 1.00 0.00 C ATOM 1221 CG ARG B 464 -3.089 -9.818 11.651 1.00 0.00 C ATOM 1222 CD ARG B 464 -3.049 -11.228 12.217 1.00 0.00 C ATOM 1223 NE ARG B 464 -1.913 -11.993 11.702 1.00 0.00 N ATOM 1224 CZ ARG B 464 -2.007 -13.209 11.156 1.00 0.00 C ATOM 1225 NH1 ARG B 464 -3.193 -13.793 11.013 1.00 0.00 N ATOM 1226 NH2 ARG B 464 -0.910 -13.836 10.746 1.00 0.00 N ATOM 0 H ARG B 464 -5.115 -8.253 10.511 1.00 0.00 H new ATOM 0 HA ARG B 464 -2.424 -7.877 9.844 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -4.153 -10.375 9.881 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -2.409 -10.400 9.709 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -2.176 -9.288 11.922 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -3.919 -9.268 12.094 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -2.991 -11.181 13.304 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -3.976 -11.745 11.969 1.00 0.00 H new ATOM 0 HE ARG B 464 -0.987 -11.570 11.764 1.00 0.00 H new ATOM 0 HH11 ARG B 464 -4.038 -13.313 11.321 1.00 0.00 H new ATOM 0 HH12 ARG B 464 -3.257 -14.721 10.595 1.00 0.00 H new ATOM 0 HH21 ARG B 464 0.001 -13.389 10.848 1.00 0.00 H new ATOM 0 HH22 ARG B 464 -0.979 -14.764 10.329 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.362 -8.908 7.391 1.00 0.00 N ATOM 1241 CA HIS B 465 -4.497 -9.033 5.946 1.00 0.00 C ATOM 1242 C HIS B 465 -4.402 -7.666 5.272 1.00 0.00 C ATOM 1243 O HIS B 465 -3.629 -7.479 4.332 1.00 0.00 O ATOM 1244 CB HIS B 465 -5.842 -9.703 5.619 1.00 0.00 C ATOM 1245 CG HIS B 465 -6.271 -9.583 4.186 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -5.831 -10.424 3.195 1.00 0.00 N ATOM 1247 CD2 HIS B 465 -7.106 -8.704 3.587 1.00 0.00 C ATOM 1248 CE1 HIS B 465 -6.370 -10.068 2.045 1.00 0.00 C ATOM 1249 NE2 HIS B 465 -7.154 -9.025 2.254 1.00 0.00 N ATOM 0 H HIS B 465 -5.225 -9.088 7.904 1.00 0.00 H new ATOM 0 HA HIS B 465 -3.683 -9.649 5.564 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -5.778 -10.760 5.878 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -6.614 -9.266 6.253 1.00 0.00 H new ATOM 0 HD1 HIS B 465 -5.187 -11.204 3.327 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -7.638 -7.897 4.070 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -6.199 -10.548 1.093 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.183 -6.722 5.775 1.00 0.00 N ATOM 1259 CA GLU B 466 -5.327 -5.410 5.157 1.00 0.00 C ATOM 1260 C GLU B 466 -4.007 -4.651 5.098 1.00 0.00 C ATOM 1261 O GLU B 466 -3.644 -4.142 4.046 1.00 0.00 O ATOM 1262 CB GLU B 466 -6.373 -4.595 5.910 1.00 0.00 C ATOM 1263 CG GLU B 466 -7.772 -5.184 5.820 1.00 0.00 C ATOM 1264 CD GLU B 466 -8.709 -4.635 6.875 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -8.769 -3.403 7.047 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -9.401 -5.439 7.537 1.00 0.00 O ATOM 0 H GLU B 466 -5.736 -6.843 6.624 1.00 0.00 H new ATOM 0 HA GLU B 466 -5.654 -5.565 4.129 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -6.083 -4.524 6.958 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -6.387 -3.580 5.514 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -8.185 -4.979 4.832 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -7.712 -6.268 5.922 1.00 0.00 H new ATOM 1273 N ARG B 467 -3.281 -4.596 6.211 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.032 -3.832 6.269 1.00 0.00 C ATOM 1275 C ARG B 467 -1.026 -4.313 5.229 1.00 0.00 C ATOM 1276 O ARG B 467 -0.310 -3.512 4.632 1.00 0.00 O ATOM 1277 CB ARG B 467 -1.405 -3.905 7.660 1.00 0.00 C ATOM 1278 CG ARG B 467 -2.217 -3.206 8.734 1.00 0.00 C ATOM 1279 CD ARG B 467 -1.491 -3.219 10.068 1.00 0.00 C ATOM 1280 NE ARG B 467 -1.107 -4.572 10.472 1.00 0.00 N ATOM 1281 CZ ARG B 467 -0.995 -4.968 11.740 1.00 0.00 C ATOM 1282 NH1 ARG B 467 -1.252 -4.122 12.730 1.00 0.00 N ATOM 1283 NH2 ARG B 467 -0.622 -6.210 12.017 1.00 0.00 N ATOM 0 H ARG B 467 -3.531 -5.067 7.081 1.00 0.00 H new ATOM 0 HA ARG B 467 -2.287 -2.796 6.048 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -1.278 -4.952 7.937 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -0.410 -3.462 7.624 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -2.412 -2.177 8.433 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -3.185 -3.697 8.839 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -0.600 -2.594 10.002 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -2.132 -2.781 10.833 1.00 0.00 H new ATOM 0 HE ARG B 467 -0.913 -5.254 9.739 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -1.536 -3.165 12.522 1.00 0.00 H new ATOM 0 HH12 ARG B 467 -1.165 -4.429 13.699 1.00 0.00 H new ATOM 0 HH21 ARG B 467 -0.421 -6.863 11.260 1.00 0.00 H new ATOM 0 HH22 ARG B 467 -0.536 -6.512 12.987 1.00 0.00 H new ATOM 1297 N ASN B 468 -0.996 -5.617 4.986 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.059 -6.179 4.027 1.00 0.00 C ATOM 1299 C ASN B 468 -0.566 -5.899 2.621 1.00 0.00 C ATOM 1300 O ASN B 468 0.203 -5.781 1.671 1.00 0.00 O ATOM 1301 CB ASN B 468 0.106 -7.686 4.269 1.00 0.00 C ATOM 1302 CG ASN B 468 -0.249 -8.524 3.057 1.00 0.00 C ATOM 1303 OD1 ASN B 468 0.614 -8.880 2.254 1.00 0.00 O ATOM 1304 ND2 ASN B 468 -1.527 -8.828 2.911 1.00 0.00 N ATOM 0 H ASN B 468 -1.605 -6.299 5.437 1.00 0.00 H new ATOM 0 HA ASN B 468 0.921 -5.717 4.148 1.00 0.00 H new ATOM 0 HB2 ASN B 468 1.137 -7.891 4.556 1.00 0.00 H new ATOM 0 HB3 ASN B 468 -0.524 -7.985 5.107 1.00 0.00 H new ATOM 0 HD21 ASN B 468 -1.832 -9.379 2.108 1.00 0.00 H new ATOM 0 HD22 ASN B 468 -2.208 -8.512 3.601 1.00 0.00 H new ATOM 1311 N VAL B 469 -1.879 -5.769 2.522 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.536 -5.450 1.273 1.00 0.00 C ATOM 1313 C VAL B 469 -2.288 -3.990 0.895 1.00 0.00 C ATOM 1314 O VAL B 469 -2.229 -3.637 -0.287 1.00 0.00 O ATOM 1315 CB VAL B 469 -4.046 -5.763 1.367 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -4.863 -4.883 0.439 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -4.275 -7.229 1.051 1.00 0.00 C ATOM 0 H VAL B 469 -2.517 -5.883 3.309 1.00 0.00 H new ATOM 0 HA VAL B 469 -2.114 -6.071 0.483 1.00 0.00 H new ATOM 0 HB VAL B 469 -4.378 -5.551 2.383 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -5.919 -5.135 0.535 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -4.714 -3.837 0.705 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -4.544 -5.045 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -5.340 -7.453 1.116 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -3.920 -7.444 0.043 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -3.730 -7.845 1.766 1.00 0.00 H new ATOM 1327 N ILE B 470 -2.111 -3.148 1.900 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.760 -1.761 1.657 1.00 0.00 C ATOM 1329 C ILE B 470 -0.343 -1.689 1.096 1.00 0.00 C ATOM 1330 O ILE B 470 -0.036 -0.847 0.253 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.848 -0.901 2.935 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -3.125 -1.206 3.723 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.804 0.567 2.564 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.400 -1.014 2.929 1.00 0.00 C ATOM 0 H ILE B 470 -2.204 -3.399 2.884 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.478 -1.361 0.941 1.00 0.00 H new ATOM 0 HB ILE B 470 -0.996 -1.143 3.571 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -3.083 -2.235 4.079 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -3.158 -0.565 4.604 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.866 1.173 3.468 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.870 0.783 2.046 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.644 0.803 1.911 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -5.259 -1.250 3.557 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.468 0.021 2.595 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.392 -1.675 2.062 1.00 0.00 H new ATOM 1346 N LEU B 471 0.511 -2.599 1.562 1.00 0.00 N ATOM 1347 CA LEU B 471 1.880 -2.699 1.068 1.00 0.00 C ATOM 1348 C LEU B 471 1.884 -2.998 -0.426 1.00 0.00 C ATOM 1349 O LEU B 471 2.675 -2.429 -1.176 1.00 0.00 O ATOM 1350 CB LEU B 471 2.645 -3.795 1.815 1.00 0.00 C ATOM 1351 CG LEU B 471 2.776 -3.593 3.328 1.00 0.00 C ATOM 1352 CD1 LEU B 471 3.460 -4.792 3.963 1.00 0.00 C ATOM 1353 CD2 LEU B 471 3.549 -2.319 3.632 1.00 0.00 C ATOM 0 H LEU B 471 0.276 -3.280 2.284 1.00 0.00 H new ATOM 0 HA LEU B 471 2.374 -1.743 1.243 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.148 -4.748 1.635 1.00 0.00 H new ATOM 0 HB3 LEU B 471 3.645 -3.871 1.388 1.00 0.00 H new ATOM 0 HG LEU B 471 1.776 -3.498 3.752 1.00 0.00 H new ATOM 0 HD11 LEU B 471 3.546 -4.634 5.038 1.00 0.00 H new ATOM 0 HD12 LEU B 471 2.871 -5.689 3.774 1.00 0.00 H new ATOM 0 HD13 LEU B 471 4.454 -4.913 3.533 1.00 0.00 H new ATOM 0 HD21 LEU B 471 3.632 -2.192 4.711 1.00 0.00 H new ATOM 0 HD22 LEU B 471 4.546 -2.386 3.197 1.00 0.00 H new ATOM 0 HD23 LEU B 471 3.024 -1.464 3.206 1.00 0.00 H new ATOM 1365 N GLN B 472 0.993 -3.897 -0.845 1.00 0.00 N ATOM 1366 CA GLN B 472 0.816 -4.223 -2.262 1.00 0.00 C ATOM 1367 C GLN B 472 0.601 -2.954 -3.065 1.00 0.00 C ATOM 1368 O GLN B 472 1.234 -2.728 -4.096 1.00 0.00 O ATOM 1369 CB GLN B 472 -0.397 -5.119 -2.456 1.00 0.00 C ATOM 1370 CG GLN B 472 -0.600 -6.088 -1.338 1.00 0.00 C ATOM 1371 CD GLN B 472 0.432 -7.170 -1.311 1.00 0.00 C ATOM 1372 OE1 GLN B 472 1.565 -7.007 -1.761 1.00 0.00 O ATOM 1373 NE2 GLN B 472 0.040 -8.281 -0.770 1.00 0.00 N ATOM 0 H GLN B 472 0.378 -4.416 -0.219 1.00 0.00 H new ATOM 0 HA GLN B 472 1.714 -4.738 -2.603 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -1.287 -4.498 -2.555 1.00 0.00 H new ATOM 0 HB3 GLN B 472 -0.287 -5.670 -3.390 1.00 0.00 H new ATOM 0 HG2 GLN B 472 -0.580 -5.550 -0.390 1.00 0.00 H new ATOM 0 HG3 GLN B 472 -1.589 -6.538 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -0.911 -8.366 -0.411 1.00 0.00 H new ATOM 0 HE22 GLN B 472 0.683 -9.070 -0.703 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.305 -2.133 -2.556 1.00 0.00 N ATOM 1383 CA CYS B 473 -0.662 -0.873 -3.179 1.00 0.00 C ATOM 1384 C CYS B 473 0.547 0.054 -3.251 1.00 0.00 C ATOM 1385 O CYS B 473 0.904 0.538 -4.325 1.00 0.00 O ATOM 1386 CB CYS B 473 -1.794 -0.225 -2.382 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.206 -1.325 -2.103 1.00 0.00 S ATOM 0 H CYS B 473 -0.815 -2.326 -1.694 1.00 0.00 H new ATOM 0 HA CYS B 473 -0.999 -1.057 -4.199 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.406 0.106 -1.419 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.136 0.665 -2.910 1.00 0.00 H new ATOM 0 HG CYS B 473 -2.841 -2.316 -1.345 1.00 0.00 H new ATOM 1393 N VAL B 474 1.176 0.282 -2.102 1.00 0.00 N ATOM 1394 CA VAL B 474 2.391 1.087 -2.020 1.00 0.00 C ATOM 1395 C VAL B 474 3.445 0.625 -3.030 1.00 0.00 C ATOM 1396 O VAL B 474 3.981 1.430 -3.796 1.00 0.00 O ATOM 1397 CB VAL B 474 2.990 1.024 -0.597 1.00 0.00 C ATOM 1398 CG1 VAL B 474 4.314 1.762 -0.527 1.00 0.00 C ATOM 1399 CG2 VAL B 474 2.012 1.591 0.418 1.00 0.00 C ATOM 0 H VAL B 474 0.860 -0.084 -1.204 1.00 0.00 H new ATOM 0 HA VAL B 474 2.111 2.114 -2.256 1.00 0.00 H new ATOM 0 HB VAL B 474 3.175 -0.023 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL B 474 4.712 1.701 0.486 1.00 0.00 H new ATOM 0 HG12 VAL B 474 5.021 1.309 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL B 474 4.162 2.808 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL B 474 2.451 1.539 1.414 1.00 0.00 H new ATOM 0 HG22 VAL B 474 1.794 2.630 0.172 1.00 0.00 H new ATOM 0 HG23 VAL B 474 1.089 1.012 0.397 1.00 0.00 H new ATOM 1409 N ARG B 475 3.711 -0.678 -3.046 1.00 0.00 N ATOM 1410 CA ARG B 475 4.750 -1.245 -3.901 1.00 0.00 C ATOM 1411 C ARG B 475 4.387 -1.126 -5.375 1.00 0.00 C ATOM 1412 O ARG B 475 5.265 -1.061 -6.231 1.00 0.00 O ATOM 1413 CB ARG B 475 4.997 -2.713 -3.547 1.00 0.00 C ATOM 1414 CG ARG B 475 5.671 -2.913 -2.199 1.00 0.00 C ATOM 1415 CD ARG B 475 7.064 -2.303 -2.173 1.00 0.00 C ATOM 1416 NE ARG B 475 7.930 -2.874 -3.206 1.00 0.00 N ATOM 1417 CZ ARG B 475 8.862 -2.186 -3.870 1.00 0.00 C ATOM 1418 NH1 ARG B 475 9.061 -0.896 -3.618 1.00 0.00 N ATOM 1419 NH2 ARG B 475 9.600 -2.798 -4.785 1.00 0.00 N ATOM 0 H ARG B 475 3.219 -1.364 -2.474 1.00 0.00 H new ATOM 0 HA ARG B 475 5.662 -0.675 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG B 475 4.045 -3.243 -3.549 1.00 0.00 H new ATOM 0 HB3 ARG B 475 5.615 -3.165 -4.323 1.00 0.00 H new ATOM 0 HG2 ARG B 475 5.061 -2.462 -1.416 1.00 0.00 H new ATOM 0 HG3 ARG B 475 5.736 -3.979 -1.979 1.00 0.00 H new ATOM 0 HD2 ARG B 475 6.991 -1.225 -2.316 1.00 0.00 H new ATOM 0 HD3 ARG B 475 7.513 -2.465 -1.193 1.00 0.00 H new ATOM 0 HE ARG B 475 7.814 -3.862 -3.433 1.00 0.00 H new ATOM 0 HH11 ARG B 475 8.499 -0.422 -2.911 1.00 0.00 H new ATOM 0 HH12 ARG B 475 9.776 -0.380 -4.131 1.00 0.00 H new ATOM 0 HH21 ARG B 475 9.454 -3.789 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG B 475 10.314 -2.278 -5.296 1.00 0.00 H new ATOM 1433 N TYR B 476 3.098 -1.110 -5.672 1.00 0.00 N ATOM 1434 CA TYR B 476 2.643 -0.970 -7.044 1.00 0.00 C ATOM 1435 C TYR B 476 2.778 0.475 -7.511 1.00 0.00 C ATOM 1436 O TYR B 476 3.351 0.743 -8.569 1.00 0.00 O ATOM 1437 CB TYR B 476 1.188 -1.448 -7.177 1.00 0.00 C ATOM 1438 CG TYR B 476 0.386 -0.679 -8.207 1.00 0.00 C ATOM 1439 CD1 TYR B 476 0.505 -0.941 -9.566 1.00 0.00 C ATOM 1440 CD2 TYR B 476 -0.475 0.331 -7.808 1.00 0.00 C ATOM 1441 CE1 TYR B 476 -0.213 -0.210 -10.496 1.00 0.00 C ATOM 1442 CE2 TYR B 476 -1.197 1.062 -8.728 1.00 0.00 C ATOM 1443 CZ TYR B 476 -1.062 0.791 -10.069 1.00 0.00 C ATOM 1444 OH TYR B 476 -1.780 1.524 -10.985 1.00 0.00 O ATOM 0 H TYR B 476 2.350 -1.192 -4.983 1.00 0.00 H new ATOM 0 HA TYR B 476 3.271 -1.593 -7.680 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.185 -2.505 -7.443 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.696 -1.361 -6.208 1.00 0.00 H new ATOM 0 HD1 TYR B 476 1.167 -1.726 -9.901 1.00 0.00 H new ATOM 0 HD2 TYR B 476 -0.583 0.550 -6.756 1.00 0.00 H new ATOM 0 HE1 TYR B 476 -0.110 -0.422 -11.550 1.00 0.00 H new ATOM 0 HE2 TYR B 476 -1.865 1.843 -8.397 1.00 0.00 H new ATOM 0 HH TYR B 476 -2.597 1.039 -11.224 1.00 0.00 H new ATOM 1454 N ILE B 477 2.260 1.399 -6.708 1.00 0.00 N ATOM 1455 CA ILE B 477 2.196 2.802 -7.092 1.00 0.00 C ATOM 1456 C ILE B 477 3.587 3.381 -7.284 1.00 0.00 C ATOM 1457 O ILE B 477 3.952 3.762 -8.389 1.00 0.00 O ATOM 1458 CB ILE B 477 1.427 3.639 -6.053 1.00 0.00 C ATOM 1459 CG1 ILE B 477 0.018 3.076 -5.869 1.00 0.00 C ATOM 1460 CG2 ILE B 477 1.367 5.099 -6.482 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -0.775 3.765 -4.787 1.00 0.00 C ATOM 0 H ILE B 477 1.877 1.199 -5.784 1.00 0.00 H new ATOM 0 HA ILE B 477 1.659 2.847 -8.039 1.00 0.00 H new ATOM 0 HB ILE B 477 1.953 3.586 -5.100 1.00 0.00 H new ATOM 0 HG12 ILE B 477 -0.523 3.159 -6.812 1.00 0.00 H new ATOM 0 HG13 ILE B 477 0.089 2.014 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE B 477 0.820 5.675 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE B 477 2.379 5.493 -6.574 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.859 5.175 -7.443 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -1.763 3.311 -4.715 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -0.257 3.660 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -0.878 4.823 -5.029 1.00 0.00 H new ATOM 1473 N ILE B 478 4.372 3.405 -6.216 1.00 0.00 N ATOM 1474 CA ILE B 478 5.711 3.989 -6.254 1.00 0.00 C ATOM 1475 C ILE B 478 6.569 3.372 -7.359 1.00 0.00 C ATOM 1476 O ILE B 478 7.490 4.013 -7.872 1.00 0.00 O ATOM 1477 CB ILE B 478 6.426 3.817 -4.898 1.00 0.00 C ATOM 1478 CG1 ILE B 478 5.550 4.368 -3.773 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.780 4.516 -4.905 1.00 0.00 C ATOM 1480 CD1 ILE B 478 6.172 4.231 -2.406 1.00 0.00 C ATOM 0 H ILE B 478 4.106 3.026 -5.307 1.00 0.00 H new ATOM 0 HA ILE B 478 5.585 5.051 -6.466 1.00 0.00 H new ATOM 0 HB ILE B 478 6.595 2.754 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE B 478 5.344 5.421 -3.966 1.00 0.00 H new ATOM 0 HG13 ILE B 478 4.592 3.849 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE B 478 8.265 4.380 -3.938 1.00 0.00 H new ATOM 0 HG22 ILE B 478 8.406 4.088 -5.688 1.00 0.00 H new ATOM 0 HG23 ILE B 478 7.639 5.580 -5.094 1.00 0.00 H new ATOM 0 HD11 ILE B 478 5.496 4.642 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE B 478 6.353 3.178 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE B 478 7.117 4.774 -2.380 1.00 0.00 H new ATOM 1492 N LYS B 479 6.236 2.148 -7.749 1.00 0.00 N ATOM 1493 CA LYS B 479 7.026 1.419 -8.721 1.00 0.00 C ATOM 1494 C LYS B 479 6.891 2.002 -10.126 1.00 0.00 C ATOM 1495 O LYS B 479 7.865 2.064 -10.872 1.00 0.00 O ATOM 1496 CB LYS B 479 6.630 -0.058 -8.731 1.00 0.00 C ATOM 1497 CG LYS B 479 7.586 -0.936 -9.516 1.00 0.00 C ATOM 1498 CD LYS B 479 8.972 -0.924 -8.897 1.00 0.00 C ATOM 1499 CE LYS B 479 9.969 -1.683 -9.746 1.00 0.00 C ATOM 1500 NZ LYS B 479 9.634 -3.127 -9.858 1.00 0.00 N ATOM 0 H LYS B 479 5.421 1.642 -7.403 1.00 0.00 H new ATOM 0 HA LYS B 479 8.070 1.514 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS B 479 6.578 -0.419 -7.704 1.00 0.00 H new ATOM 0 HB3 LYS B 479 5.630 -0.155 -9.154 1.00 0.00 H new ATOM 0 HG2 LYS B 479 7.206 -1.957 -9.545 1.00 0.00 H new ATOM 0 HG3 LYS B 479 7.642 -0.587 -10.547 1.00 0.00 H new ATOM 0 HD2 LYS B 479 9.307 0.106 -8.775 1.00 0.00 H new ATOM 0 HD3 LYS B 479 8.930 -1.366 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS B 479 10.004 -1.242 -10.742 1.00 0.00 H new ATOM 0 HE3 LYS B 479 10.965 -1.576 -9.315 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 10.389 -3.619 -10.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 9.543 -3.537 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 8.735 -3.236 -10.369 1.00 0.00 H new ATOM 1514 N LYS B 480 5.695 2.415 -10.499 1.00 0.00 N ATOM 1515 CA LYS B 480 5.490 2.942 -11.840 1.00 0.00 C ATOM 1516 C LYS B 480 5.115 4.419 -11.817 1.00 0.00 C ATOM 1517 O LYS B 480 5.183 5.100 -12.838 1.00 0.00 O ATOM 1518 CB LYS B 480 4.430 2.107 -12.579 1.00 0.00 C ATOM 1519 CG LYS B 480 3.144 1.877 -11.788 1.00 0.00 C ATOM 1520 CD LYS B 480 2.224 3.085 -11.826 1.00 0.00 C ATOM 1521 CE LYS B 480 1.559 3.241 -13.185 1.00 0.00 C ATOM 1522 NZ LYS B 480 0.603 4.377 -13.213 1.00 0.00 N ATOM 0 H LYS B 480 4.864 2.398 -9.908 1.00 0.00 H new ATOM 0 HA LYS B 480 6.433 2.866 -12.382 1.00 0.00 H new ATOM 0 HB2 LYS B 480 4.182 2.605 -13.516 1.00 0.00 H new ATOM 0 HB3 LYS B 480 4.862 1.140 -12.837 1.00 0.00 H new ATOM 0 HG2 LYS B 480 2.621 1.011 -12.193 1.00 0.00 H new ATOM 0 HG3 LYS B 480 3.393 1.644 -10.753 1.00 0.00 H new ATOM 0 HD2 LYS B 480 1.459 2.985 -11.056 1.00 0.00 H new ATOM 0 HD3 LYS B 480 2.794 3.985 -11.594 1.00 0.00 H new ATOM 0 HE2 LYS B 480 2.324 3.393 -13.947 1.00 0.00 H new ATOM 0 HE3 LYS B 480 1.034 2.320 -13.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 0.173 4.446 -14.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 -0.142 4.221 -12.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 1.107 5.260 -12.997 1.00 0.00 H new ATOM 1536 N ASP B 481 4.723 4.907 -10.653 1.00 0.00 N ATOM 1537 CA ASP B 481 4.273 6.291 -10.521 1.00 0.00 C ATOM 1538 C ASP B 481 5.422 7.225 -10.152 1.00 0.00 C ATOM 1539 O ASP B 481 5.736 8.165 -10.883 1.00 0.00 O ATOM 1540 CB ASP B 481 3.157 6.400 -9.480 1.00 0.00 C ATOM 1541 CG ASP B 481 2.423 7.724 -9.544 1.00 0.00 C ATOM 1542 OD1 ASP B 481 2.852 8.687 -8.879 1.00 0.00 O ATOM 1543 OD2 ASP B 481 1.401 7.799 -10.259 1.00 0.00 O ATOM 0 H ASP B 481 4.705 4.371 -9.785 1.00 0.00 H new ATOM 0 HA ASP B 481 3.886 6.599 -11.492 1.00 0.00 H new ATOM 0 HB2 ASP B 481 2.446 5.588 -9.630 1.00 0.00 H new ATOM 0 HB3 ASP B 481 3.581 6.273 -8.484 1.00 0.00 H new ATOM 1548 N PHE B 482 6.049 6.954 -9.010 1.00 0.00 N ATOM 1549 CA PHE B 482 7.024 7.874 -8.437 1.00 0.00 C ATOM 1550 C PHE B 482 8.432 7.637 -8.978 1.00 0.00 C ATOM 1551 O PHE B 482 8.846 8.282 -9.941 1.00 0.00 O ATOM 1552 CB PHE B 482 7.016 7.775 -6.909 1.00 0.00 C ATOM 1553 CG PHE B 482 5.766 8.323 -6.273 1.00 0.00 C ATOM 1554 CD1 PHE B 482 4.597 7.579 -6.247 1.00 0.00 C ATOM 1555 CD2 PHE B 482 5.763 9.584 -5.701 1.00 0.00 C ATOM 1556 CE1 PHE B 482 3.451 8.083 -5.667 1.00 0.00 C ATOM 1557 CE2 PHE B 482 4.620 10.093 -5.118 1.00 0.00 C ATOM 1558 CZ PHE B 482 3.461 9.341 -5.101 1.00 0.00 C ATOM 0 H PHE B 482 5.899 6.105 -8.465 1.00 0.00 H new ATOM 0 HA PHE B 482 6.730 8.881 -8.733 1.00 0.00 H new ATOM 0 HB2 PHE B 482 7.131 6.730 -6.621 1.00 0.00 H new ATOM 0 HB3 PHE B 482 7.879 8.312 -6.515 1.00 0.00 H new ATOM 0 HD1 PHE B 482 4.583 6.592 -6.686 1.00 0.00 H new ATOM 0 HD2 PHE B 482 6.666 10.176 -5.711 1.00 0.00 H new ATOM 0 HE1 PHE B 482 2.547 7.493 -5.656 1.00 0.00 H new ATOM 0 HE2 PHE B 482 4.632 11.078 -4.676 1.00 0.00 H new ATOM 0 HZ PHE B 482 2.565 9.737 -4.646 1.00 0.00 H new ATOM 1568 N PHE B 483 9.163 6.708 -8.375 1.00 0.00 N ATOM 1569 CA PHE B 483 10.560 6.507 -8.741 1.00 0.00 C ATOM 1570 C PHE B 483 10.749 5.212 -9.516 1.00 0.00 C ATOM 1571 O PHE B 483 11.353 5.199 -10.588 1.00 0.00 O ATOM 1572 CB PHE B 483 11.450 6.482 -7.496 1.00 0.00 C ATOM 1573 CG PHE B 483 11.370 7.721 -6.650 1.00 0.00 C ATOM 1574 CD1 PHE B 483 10.501 7.785 -5.572 1.00 0.00 C ATOM 1575 CD2 PHE B 483 12.171 8.816 -6.926 1.00 0.00 C ATOM 1576 CE1 PHE B 483 10.433 8.918 -4.786 1.00 0.00 C ATOM 1577 CE2 PHE B 483 12.107 9.953 -6.144 1.00 0.00 C ATOM 1578 CZ PHE B 483 11.237 10.004 -5.073 1.00 0.00 C ATOM 0 H PHE B 483 8.819 6.090 -7.641 1.00 0.00 H new ATOM 0 HA PHE B 483 10.849 7.344 -9.377 1.00 0.00 H new ATOM 0 HB2 PHE B 483 11.176 5.622 -6.885 1.00 0.00 H new ATOM 0 HB3 PHE B 483 12.484 6.335 -7.807 1.00 0.00 H new ATOM 0 HD1 PHE B 483 9.870 6.939 -5.344 1.00 0.00 H new ATOM 0 HD2 PHE B 483 12.854 8.781 -7.762 1.00 0.00 H new ATOM 0 HE1 PHE B 483 9.752 8.955 -3.948 1.00 0.00 H new ATOM 0 HE2 PHE B 483 12.737 10.801 -6.370 1.00 0.00 H new ATOM 0 HZ PHE B 483 11.185 10.892 -4.460 1.00 0.00 H new ATOM 1588 N GLY B 484 10.213 4.127 -8.974 1.00 0.00 N ATOM 1589 CA GLY B 484 10.342 2.837 -9.616 1.00 0.00 C ATOM 1590 C GLY B 484 11.554 2.070 -9.139 1.00 0.00 C ATOM 1591 O GLY B 484 11.893 1.023 -9.689 1.00 0.00 O ATOM 0 H GLY B 484 9.690 4.119 -8.098 1.00 0.00 H new ATOM 0 HA2 GLY B 484 9.445 2.248 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY B 484 10.406 2.977 -10.695 1.00 0.00 H new ATOM 1595 N LEU B 485 12.197 2.581 -8.102 1.00 0.00 N ATOM 1596 CA LEU B 485 13.421 1.987 -7.596 1.00 0.00 C ATOM 1597 C LEU B 485 13.135 0.720 -6.805 1.00 0.00 C ATOM 1598 O LEU B 485 12.161 0.639 -6.052 1.00 0.00 O ATOM 1599 CB LEU B 485 14.175 2.985 -6.722 1.00 0.00 C ATOM 1600 CG LEU B 485 14.557 4.289 -7.418 1.00 0.00 C ATOM 1601 CD1 LEU B 485 15.151 5.268 -6.420 1.00 0.00 C ATOM 1602 CD2 LEU B 485 15.537 4.018 -8.551 1.00 0.00 C ATOM 0 H LEU B 485 11.889 3.410 -7.593 1.00 0.00 H new ATOM 0 HA LEU B 485 14.040 1.722 -8.453 1.00 0.00 H new ATOM 0 HB2 LEU B 485 13.561 3.221 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU B 485 15.083 2.508 -6.352 1.00 0.00 H new ATOM 0 HG LEU B 485 13.656 4.734 -7.841 1.00 0.00 H new ATOM 0 HD11 LEU B 485 15.418 6.192 -6.932 1.00 0.00 H new ATOM 0 HD12 LEU B 485 14.419 5.483 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU B 485 16.043 4.832 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU B 485 15.800 4.957 -9.037 1.00 0.00 H new ATOM 0 HD22 LEU B 485 16.437 3.553 -8.150 1.00 0.00 H new ATOM 0 HD23 LEU B 485 15.076 3.349 -9.278 1.00 0.00 H new ATOM 1614 N ASP B 486 13.993 -0.264 -7.002 1.00 0.00 N ATOM 1615 CA ASP B 486 13.919 -1.528 -6.282 1.00 0.00 C ATOM 1616 C ASP B 486 15.318 -2.085 -6.109 1.00 0.00 C ATOM 1617 O ASP B 486 15.760 -2.392 -5.003 1.00 0.00 O ATOM 1618 CB ASP B 486 13.044 -2.535 -7.036 1.00 0.00 C ATOM 1619 CG ASP B 486 12.935 -3.863 -6.313 1.00 0.00 C ATOM 1620 OD1 ASP B 486 12.077 -3.985 -5.418 1.00 0.00 O ATOM 1621 OD2 ASP B 486 13.702 -4.793 -6.640 1.00 0.00 O ATOM 0 H ASP B 486 14.764 -0.212 -7.667 1.00 0.00 H new ATOM 0 HA ASP B 486 13.468 -1.352 -5.305 1.00 0.00 H new ATOM 0 HB2 ASP B 486 12.047 -2.116 -7.172 1.00 0.00 H new ATOM 0 HB3 ASP B 486 13.459 -2.699 -8.031 1.00 0.00 H new ATOM 1626 N THR B 487 16.018 -2.165 -7.224 1.00 0.00 N ATOM 1627 CA THR B 487 17.395 -2.630 -7.252 1.00 0.00 C ATOM 1628 C THR B 487 18.353 -1.503 -6.844 1.00 0.00 C ATOM 1629 O THR B 487 19.233 -1.084 -7.598 1.00 0.00 O ATOM 1630 CB THR B 487 17.746 -3.187 -8.650 1.00 0.00 C ATOM 1631 OG1 THR B 487 19.128 -3.567 -8.722 1.00 0.00 O ATOM 1632 CG2 THR B 487 17.423 -2.171 -9.726 1.00 0.00 C ATOM 0 H THR B 487 15.648 -1.909 -8.140 1.00 0.00 H new ATOM 0 HA THR B 487 17.507 -3.439 -6.530 1.00 0.00 H new ATOM 0 HB THR B 487 17.139 -4.077 -8.817 1.00 0.00 H new ATOM 0 HG1 THR B 487 19.691 -2.802 -8.481 1.00 0.00 H new ATOM 0 HG21 THR B 487 17.677 -2.582 -10.703 1.00 0.00 H new ATOM 0 HG22 THR B 487 16.359 -1.936 -9.697 1.00 0.00 H new ATOM 0 HG23 THR B 487 18.000 -1.262 -9.553 1.00 0.00 H new ATOM 1640 N ASN B 488 18.163 -1.003 -5.635 1.00 0.00 N ATOM 1641 CA ASN B 488 18.975 0.068 -5.104 1.00 0.00 C ATOM 1642 C ASN B 488 19.638 -0.394 -3.827 1.00 0.00 C ATOM 1643 O ASN B 488 19.115 -1.257 -3.116 1.00 0.00 O ATOM 1644 CB ASN B 488 18.128 1.319 -4.849 1.00 0.00 C ATOM 1645 CG ASN B 488 18.030 2.224 -6.067 1.00 0.00 C ATOM 1646 OD1 ASN B 488 18.161 1.655 -7.258 1.00 0.00 O flip ATOM 1647 ND2 ASN B 488 17.856 3.435 -5.936 1.00 0.00 N flip ATOM 0 H ASN B 488 17.439 -1.332 -4.996 1.00 0.00 H new ATOM 0 HA ASN B 488 19.741 0.329 -5.834 1.00 0.00 H new ATOM 0 HB2 ASN B 488 17.126 1.017 -4.545 1.00 0.00 H new ATOM 0 HB3 ASN B 488 18.558 1.880 -4.019 1.00 0.00 H new ATOM 0 HD21 ASN B 488 17.759 3.838 -5.004 1.00 0.00 H new ATOM 0 HD22 ASN B 488 17.808 4.035 -6.759 1.00 0.00 H new ATOM 1654 N SER B 489 20.776 0.196 -3.541 1.00 0.00 N ATOM 1655 CA SER B 489 21.648 -0.252 -2.461 1.00 0.00 C ATOM 1656 C SER B 489 21.050 0.004 -1.086 1.00 0.00 C ATOM 1657 O SER B 489 21.615 -0.395 -0.072 1.00 0.00 O ATOM 1658 CB SER B 489 23.009 0.429 -2.582 1.00 0.00 C ATOM 1659 OG SER B 489 23.543 0.249 -3.883 1.00 0.00 O ATOM 0 H SER B 489 21.131 1.006 -4.050 1.00 0.00 H new ATOM 0 HA SER B 489 21.765 -1.331 -2.560 1.00 0.00 H new ATOM 0 HB2 SER B 489 22.910 1.493 -2.368 1.00 0.00 H new ATOM 0 HB3 SER B 489 23.695 0.018 -1.841 1.00 0.00 H new ATOM 0 HG SER B 489 24.414 0.693 -3.943 1.00 0.00 H new ATOM 1665 N ALA B 490 19.903 0.645 -1.065 1.00 0.00 N ATOM 1666 CA ALA B 490 19.206 0.923 0.181 1.00 0.00 C ATOM 1667 C ALA B 490 18.387 -0.282 0.614 1.00 0.00 C ATOM 1668 O ALA B 490 18.082 -0.460 1.792 1.00 0.00 O ATOM 1669 CB ALA B 490 18.319 2.150 0.033 1.00 0.00 C ATOM 0 H ALA B 490 19.427 0.987 -1.900 1.00 0.00 H new ATOM 0 HA ALA B 490 19.948 1.128 0.953 1.00 0.00 H new ATOM 0 HB1 ALA B 490 17.805 2.343 0.975 1.00 0.00 H new ATOM 0 HB2 ALA B 490 18.932 3.012 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA B 490 17.584 1.975 -0.752 1.00 0.00 H new ATOM 1675 N LYS B 491 18.059 -1.118 -0.351 1.00 0.00 N ATOM 1676 CA LYS B 491 17.226 -2.288 -0.109 1.00 0.00 C ATOM 1677 C LYS B 491 17.924 -3.558 -0.565 1.00 0.00 C ATOM 1678 O LYS B 491 17.299 -4.612 -0.692 1.00 0.00 O ATOM 1679 CB LYS B 491 15.894 -2.159 -0.845 1.00 0.00 C ATOM 1680 CG LYS B 491 15.024 -1.009 -0.373 1.00 0.00 C ATOM 1681 CD LYS B 491 13.717 -0.981 -1.141 1.00 0.00 C ATOM 1682 CE LYS B 491 12.788 0.112 -0.648 1.00 0.00 C ATOM 1683 NZ LYS B 491 11.488 0.077 -1.364 1.00 0.00 N ATOM 0 H LYS B 491 18.358 -1.010 -1.320 1.00 0.00 H new ATOM 0 HA LYS B 491 17.046 -2.347 0.964 1.00 0.00 H new ATOM 0 HB2 LYS B 491 16.092 -2.035 -1.910 1.00 0.00 H new ATOM 0 HB3 LYS B 491 15.338 -3.090 -0.730 1.00 0.00 H new ATOM 0 HG2 LYS B 491 14.824 -1.111 0.694 1.00 0.00 H new ATOM 0 HG3 LYS B 491 15.553 -0.066 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS B 491 13.923 -0.830 -2.201 1.00 0.00 H new ATOM 0 HD3 LYS B 491 13.221 -1.947 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS B 491 12.620 -0.006 0.422 1.00 0.00 H new ATOM 0 HE3 LYS B 491 13.259 1.085 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS B 491 11.143 1.048 -1.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 491 11.613 -0.384 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 491 10.796 -0.458 -0.801 1.00 0.00 H new ATOM 1697 N SER B 492 19.216 -3.461 -0.808 1.00 0.00 N ATOM 1698 CA SER B 492 19.969 -4.592 -1.316 1.00 0.00 C ATOM 1699 C SER B 492 20.986 -5.078 -0.292 1.00 0.00 C ATOM 1700 O SER B 492 22.137 -4.648 -0.288 1.00 0.00 O ATOM 1701 CB SER B 492 20.659 -4.225 -2.630 1.00 0.00 C ATOM 1702 OG SER B 492 19.705 -3.857 -3.616 1.00 0.00 O ATOM 0 H SER B 492 19.765 -2.614 -0.663 1.00 0.00 H new ATOM 0 HA SER B 492 19.271 -5.407 -1.506 1.00 0.00 H new ATOM 0 HB2 SER B 492 21.353 -3.401 -2.464 1.00 0.00 H new ATOM 0 HB3 SER B 492 21.248 -5.071 -2.985 1.00 0.00 H new ATOM 0 HG SER B 492 19.531 -2.894 -3.559 1.00 0.00 H new ATOM 1708 N LYS B 493 20.546 -5.977 0.577 1.00 0.00 N ATOM 1709 CA LYS B 493 21.427 -6.588 1.565 1.00 0.00 C ATOM 1710 C LYS B 493 21.961 -7.903 1.015 1.00 0.00 C ATOM 1711 O LYS B 493 22.436 -8.762 1.759 1.00 0.00 O ATOM 1712 CB LYS B 493 20.696 -6.838 2.894 1.00 0.00 C ATOM 1713 CG LYS B 493 20.315 -5.577 3.662 1.00 0.00 C ATOM 1714 CD LYS B 493 19.141 -4.847 3.025 1.00 0.00 C ATOM 1715 CE LYS B 493 18.683 -3.671 3.873 1.00 0.00 C ATOM 1716 NZ LYS B 493 19.739 -2.636 4.022 1.00 0.00 N ATOM 0 H LYS B 493 19.580 -6.301 0.619 1.00 0.00 H new ATOM 0 HA LYS B 493 22.251 -5.902 1.762 1.00 0.00 H new ATOM 0 HB2 LYS B 493 19.791 -7.411 2.692 1.00 0.00 H new ATOM 0 HB3 LYS B 493 21.329 -7.456 3.530 1.00 0.00 H new ATOM 0 HG2 LYS B 493 20.062 -5.842 4.689 1.00 0.00 H new ATOM 0 HG3 LYS B 493 21.175 -4.908 3.708 1.00 0.00 H new ATOM 0 HD2 LYS B 493 19.427 -4.492 2.035 1.00 0.00 H new ATOM 0 HD3 LYS B 493 18.312 -5.541 2.888 1.00 0.00 H new ATOM 0 HE2 LYS B 493 17.799 -3.222 3.420 1.00 0.00 H new ATOM 0 HE3 LYS B 493 18.388 -4.030 4.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 493 19.349 -1.811 4.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 493 20.533 -3.027 4.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 493 20.075 -2.345 3.082 1.00 0.00 H new ATOM 1730 N ASP B 494 21.855 -8.044 -0.300 1.00 0.00 N ATOM 1731 CA ASP B 494 22.290 -9.242 -1.006 1.00 0.00 C ATOM 1732 C ASP B 494 23.773 -9.510 -0.782 1.00 0.00 C ATOM 1733 O ASP B 494 24.156 -10.593 -0.346 1.00 0.00 O ATOM 1734 CB ASP B 494 22.002 -9.092 -2.501 1.00 0.00 C ATOM 1735 CG ASP B 494 22.466 -10.286 -3.310 1.00 0.00 C ATOM 1736 OD1 ASP B 494 23.587 -10.241 -3.854 1.00 0.00 O ATOM 1737 OD2 ASP B 494 21.708 -11.267 -3.417 1.00 0.00 O ATOM 0 H ASP B 494 21.463 -7.327 -0.910 1.00 0.00 H new ATOM 0 HA ASP B 494 21.734 -10.092 -0.611 1.00 0.00 H new ATOM 0 HB2 ASP B 494 20.931 -8.953 -2.648 1.00 0.00 H new ATOM 0 HB3 ASP B 494 22.494 -8.193 -2.873 1.00 0.00 H new ATOM 1742 N VAL B 495 24.602 -8.520 -1.071 1.00 0.00 N ATOM 1743 CA VAL B 495 26.040 -8.659 -0.907 1.00 0.00 C ATOM 1744 C VAL B 495 26.635 -7.398 -0.283 1.00 0.00 C ATOM 1745 O VAL B 495 27.124 -7.477 0.862 1.00 0.00 O ATOM 1746 CB VAL B 495 26.744 -8.991 -2.250 1.00 0.00 C ATOM 1747 CG1 VAL B 495 26.383 -7.982 -3.331 1.00 0.00 C ATOM 1748 CG2 VAL B 495 28.253 -9.065 -2.064 1.00 0.00 C ATOM 1749 OXT VAL B 495 26.566 -6.322 -0.910 1.00 0.00 O ATOM 0 H VAL B 495 24.303 -7.610 -1.421 1.00 0.00 H new ATOM 0 HA VAL B 495 26.213 -9.497 -0.232 1.00 0.00 H new ATOM 0 HB VAL B 495 26.389 -9.968 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL B 495 26.893 -8.244 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL B 495 25.305 -7.993 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL B 495 26.692 -6.985 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL B 495 28.726 -9.299 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL B 495 28.622 -8.106 -1.701 1.00 0.00 H new ATOM 0 HG23 VAL B 495 28.493 -9.844 -1.340 1.00 0.00 H new TER 1759 VAL B 495