USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 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 17 GLN : amide:sc= -3.11! X(o=-3.1!,f=-3.1) USER MOD Set 1.2: A 77 CYS SG : rot 75:sc= 0.0434 USER MOD Set 2.1: A 36 TYR OH : rot 128:sc= 0.456 USER MOD Set 2.2: A 56 HIS : no HE2:sc= 1.14 K(o=1.6,f=-7.5!) USER MOD Set 3.1: A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Set 3.2: A 8 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 5 HIS : no HE2:sc= 0.00677 X(o=0.026,f=-0.43) USER MOD Set 4.2: A 7 HIS : no HD1:sc= 0.019 X(o=0.026,f=-0.034) USER MOD Set 5.1: A 1 MET N :NH3+ 154:sc= -0.0203 (180deg=-0.686) USER MOD Set 5.2: A 2 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.52) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -71:sc= 0.184 USER MOD Single : A 22 LYS NZ :NH3+ -139:sc= -2.51 (180deg=-4.09!) USER MOD Single : A 25 CYS SG : rot -85:sc= 0.973 USER MOD Single : A 35 GLN : amide:sc= -2.5! C(o=-2.5!,f=-2.8!) USER MOD Single : A 38 GLN : amide:sc= -1.86! X(o=-1.9!,f=-1.5) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -80:sc= 0.683 USER MOD Single : A 44 GLN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0915 K(o=-0.091,f=-3.1!) USER MOD Single : A 53 LYS NZ :NH3+ 149:sc= -0.0769 (180deg=-1.51) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.05 F(o=-4.1!,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ -123:sc= -2.44 (180deg=-3.84!) USER MOD Single : A 68 CYS SG : rot 31:sc= 0.877 USER MOD Single : A 72 ASN :FLIP amide:sc= -1.6 F(o=-2.4!,f=-1.6) USER MOD Single : A 73 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 75 ASN : amide:sc= -9.48! C(o=-9.5!,f=-14!) USER MOD Single : A 76 LYS NZ :NH3+ -138:sc= -2.04 (180deg=-4.64!) USER MOD Single : A 79 SER OG : rot -43:sc= 0.449 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 147:sc= -0.213 (180deg=-1.28!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.478 -3.043 39.690 1.00 1.00 N ATOM 2 CA MET A 1 -0.018 -1.641 39.602 1.00 1.00 C ATOM 3 C MET A 1 1.147 -0.679 39.811 1.00 1.00 C ATOM 4 O MET A 1 1.256 -0.040 40.858 1.00 1.00 O ATOM 5 CB MET A 1 -1.083 -1.413 40.677 1.00 1.00 C ATOM 6 CG MET A 1 -0.599 -1.993 42.008 1.00 1.00 C ATOM 7 SD MET A 1 -1.282 -1.022 43.374 1.00 1.00 S ATOM 8 CE MET A 1 -0.300 -1.770 44.696 1.00 1.00 C ATOM 0 H1 MET A 1 -0.298 -3.668 39.987 1.00 1.00 H new ATOM 0 H2 MET A 1 0.829 -3.346 38.759 1.00 1.00 H new ATOM 0 H3 MET A 1 1.250 -3.095 40.385 1.00 1.00 H new ATOM 0 HA MET A 1 -0.456 -1.465 38.620 1.00 1.00 H new ATOM 0 HB2 MET A 1 -1.284 -0.347 40.784 1.00 1.00 H new ATOM 0 HB3 MET A 1 -2.020 -1.886 40.382 1.00 1.00 H new ATOM 0 HG2 MET A 1 -0.909 -3.034 42.097 1.00 1.00 H new ATOM 0 HG3 MET A 1 0.490 -1.980 42.048 1.00 1.00 H new ATOM 0 HE1 MET A 1 -0.564 -1.311 45.649 1.00 1.00 H new ATOM 0 HE2 MET A 1 -0.504 -2.840 44.740 1.00 1.00 H new ATOM 0 HE3 MET A 1 0.760 -1.610 44.497 1.00 1.00 H new ATOM 20 N HIS A 2 2.014 -0.580 38.808 1.00 1.00 N ATOM 21 CA HIS A 2 3.167 0.309 38.893 1.00 1.00 C ATOM 22 C HIS A 2 3.374 1.045 37.573 1.00 1.00 C ATOM 23 O HIS A 2 3.456 2.273 37.543 1.00 1.00 O ATOM 24 CB HIS A 2 4.423 -0.496 39.233 1.00 1.00 C ATOM 25 CG HIS A 2 4.064 -1.608 40.179 1.00 1.00 C ATOM 26 ND1 HIS A 2 3.580 -1.367 41.456 1.00 1.00 N ATOM 27 CD2 HIS A 2 4.114 -2.975 40.048 1.00 1.00 C ATOM 28 CE1 HIS A 2 3.359 -2.560 42.037 1.00 1.00 C ATOM 29 NE2 HIS A 2 3.669 -3.574 41.225 1.00 1.00 N ATOM 0 H HIS A 2 1.941 -1.100 37.934 1.00 1.00 H new ATOM 0 HA HIS A 2 2.981 1.041 39.679 1.00 1.00 H new ATOM 0 HB2 HIS A 2 4.863 -0.905 38.324 1.00 1.00 H new ATOM 0 HB3 HIS A 2 5.173 0.153 39.685 1.00 1.00 H new ATOM 0 HD2 HIS A 2 4.447 -3.504 39.168 1.00 1.00 H new ATOM 0 HE1 HIS A 2 2.977 -2.683 43.040 1.00 1.00 H new ATOM 0 HE2 HIS A 2 3.596 -4.572 41.424 1.00 1.00 H new ATOM 37 N HIS A 3 3.457 0.286 36.485 1.00 1.00 N ATOM 38 CA HIS A 3 3.655 0.879 35.167 1.00 1.00 C ATOM 39 C HIS A 3 2.345 1.448 34.633 1.00 1.00 C ATOM 40 O HIS A 3 1.278 0.866 34.830 1.00 1.00 O ATOM 41 CB HIS A 3 4.189 -0.177 34.195 1.00 1.00 C ATOM 42 CG HIS A 3 5.682 -0.043 34.080 1.00 1.00 C ATOM 43 ND1 HIS A 3 6.554 -0.799 34.846 1.00 1.00 N ATOM 44 CD2 HIS A 3 6.473 0.757 33.291 1.00 1.00 C ATOM 45 CE1 HIS A 3 7.806 -0.444 34.506 1.00 1.00 C ATOM 46 NE2 HIS A 3 7.815 0.502 33.563 1.00 1.00 N ATOM 0 H HIS A 3 3.391 -0.732 36.489 1.00 1.00 H new ATOM 0 HA HIS A 3 4.379 1.689 35.258 1.00 1.00 H new ATOM 0 HB2 HIS A 3 3.929 -1.175 34.547 1.00 1.00 H new ATOM 0 HB3 HIS A 3 3.726 -0.053 33.216 1.00 1.00 H new ATOM 0 HD2 HIS A 3 6.110 1.474 32.570 1.00 1.00 H new ATOM 0 HE1 HIS A 3 8.696 -0.872 34.943 1.00 1.00 H new ATOM 0 HE2 HIS A 3 8.629 0.943 33.135 1.00 1.00 H new ATOM 54 N HIS A 4 2.433 2.588 33.957 1.00 1.00 N ATOM 55 CA HIS A 4 1.248 3.228 33.400 1.00 1.00 C ATOM 56 C HIS A 4 1.641 4.276 32.365 1.00 1.00 C ATOM 57 O HIS A 4 0.865 5.183 32.058 1.00 1.00 O ATOM 58 CB HIS A 4 0.436 3.889 34.515 1.00 1.00 C ATOM 59 CG HIS A 4 -0.916 4.284 33.987 1.00 1.00 C ATOM 60 ND1 HIS A 4 -1.392 5.583 34.073 1.00 1.00 N ATOM 61 CD2 HIS A 4 -1.904 3.561 33.365 1.00 1.00 C ATOM 62 CE1 HIS A 4 -2.615 5.602 33.515 1.00 1.00 C ATOM 63 NE2 HIS A 4 -2.977 4.397 33.068 1.00 1.00 N ATOM 0 H HIS A 4 3.306 3.085 33.782 1.00 1.00 H new ATOM 0 HA HIS A 4 0.641 2.464 32.914 1.00 1.00 H new ATOM 0 HB2 HIS A 4 0.324 3.202 35.354 1.00 1.00 H new ATOM 0 HB3 HIS A 4 0.962 4.767 34.890 1.00 1.00 H new ATOM 0 HD2 HIS A 4 -1.856 2.506 33.141 1.00 1.00 H new ATOM 0 HE1 HIS A 4 -3.231 6.486 33.438 1.00 1.00 H new ATOM 0 HE2 HIS A 4 -3.851 4.144 32.608 1.00 1.00 H new ATOM 71 N HIS A 5 2.851 4.149 31.830 1.00 1.00 N ATOM 72 CA HIS A 5 3.337 5.093 30.830 1.00 1.00 C ATOM 73 C HIS A 5 3.187 4.512 29.428 1.00 1.00 C ATOM 74 O HIS A 5 3.336 3.307 29.224 1.00 1.00 O ATOM 75 CB HIS A 5 4.809 5.421 31.093 1.00 1.00 C ATOM 76 CG HIS A 5 4.921 6.818 31.636 1.00 1.00 C ATOM 77 ND1 HIS A 5 4.557 7.931 30.896 1.00 1.00 N ATOM 78 CD2 HIS A 5 5.355 7.300 32.847 1.00 1.00 C ATOM 79 CE1 HIS A 5 4.776 9.017 31.660 1.00 1.00 C ATOM 80 NE2 HIS A 5 5.264 8.689 32.859 1.00 1.00 N ATOM 0 H HIS A 5 3.509 3.407 32.070 1.00 1.00 H new ATOM 0 HA HIS A 5 2.743 6.005 30.899 1.00 1.00 H new ATOM 0 HB2 HIS A 5 5.230 4.709 31.802 1.00 1.00 H new ATOM 0 HB3 HIS A 5 5.383 5.330 30.171 1.00 1.00 H new ATOM 0 HD1 HIS A 5 4.190 7.928 29.944 1.00 1.00 H new ATOM 0 HD2 HIS A 5 5.713 6.693 33.666 1.00 1.00 H new ATOM 0 HE1 HIS A 5 4.581 10.031 31.342 1.00 1.00 H new ATOM 88 N HIS A 6 2.889 5.378 28.464 1.00 1.00 N ATOM 89 CA HIS A 6 2.720 4.938 27.082 1.00 1.00 C ATOM 90 C HIS A 6 2.804 6.127 26.129 1.00 1.00 C ATOM 91 O HIS A 6 3.730 6.225 25.323 1.00 1.00 O ATOM 92 CB HIS A 6 1.368 4.243 26.918 1.00 1.00 C ATOM 93 CG HIS A 6 1.464 3.213 25.826 1.00 1.00 C ATOM 94 ND1 HIS A 6 2.081 1.986 26.020 1.00 1.00 N ATOM 95 CD2 HIS A 6 1.028 3.212 24.524 1.00 1.00 C ATOM 96 CE1 HIS A 6 1.997 1.303 24.863 1.00 1.00 C ATOM 97 NE2 HIS A 6 1.366 2.005 23.919 1.00 1.00 N ATOM 0 H HIS A 6 2.760 6.379 28.611 1.00 1.00 H new ATOM 0 HA HIS A 6 3.519 4.237 26.841 1.00 1.00 H new ATOM 0 HB2 HIS A 6 1.074 3.769 27.855 1.00 1.00 H new ATOM 0 HB3 HIS A 6 0.598 4.975 26.676 1.00 1.00 H new ATOM 0 HD2 HIS A 6 0.503 4.024 24.043 1.00 1.00 H new ATOM 0 HE1 HIS A 6 2.392 0.309 24.716 1.00 1.00 H new ATOM 0 HE2 HIS A 6 1.173 1.718 22.959 1.00 1.00 H new ATOM 105 N HIS A 7 1.830 7.026 26.226 1.00 1.00 N ATOM 106 CA HIS A 7 1.804 8.204 25.367 1.00 1.00 C ATOM 107 C HIS A 7 2.155 7.827 23.930 1.00 1.00 C ATOM 108 O HIS A 7 3.315 7.906 23.524 1.00 1.00 O ATOM 109 CB HIS A 7 2.797 9.248 25.880 1.00 1.00 C ATOM 110 CG HIS A 7 2.332 9.771 27.211 1.00 1.00 C ATOM 111 ND1 HIS A 7 2.714 9.190 28.409 1.00 1.00 N ATOM 112 CD2 HIS A 7 1.515 10.822 27.550 1.00 1.00 C ATOM 113 CE1 HIS A 7 2.133 9.886 29.403 1.00 1.00 C ATOM 114 NE2 HIS A 7 1.391 10.892 28.933 1.00 1.00 N ATOM 0 H HIS A 7 1.054 6.963 26.885 1.00 1.00 H new ATOM 0 HA HIS A 7 0.797 8.622 25.386 1.00 1.00 H new ATOM 0 HB2 HIS A 7 3.788 8.805 25.977 1.00 1.00 H new ATOM 0 HB3 HIS A 7 2.882 10.067 25.165 1.00 1.00 H new ATOM 0 HD2 HIS A 7 1.041 11.492 26.848 1.00 1.00 H new ATOM 0 HE1 HIS A 7 2.252 9.659 30.452 1.00 1.00 H new ATOM 0 HE2 HIS A 7 0.849 11.567 29.473 1.00 1.00 H new ATOM 122 N SER A 8 1.147 7.418 23.169 1.00 1.00 N ATOM 123 CA SER A 8 1.363 7.032 21.779 1.00 1.00 C ATOM 124 C SER A 8 1.848 8.225 20.961 1.00 1.00 C ATOM 125 O SER A 8 1.704 9.375 21.375 1.00 1.00 O ATOM 126 CB SER A 8 0.062 6.496 21.179 1.00 1.00 C ATOM 127 OG SER A 8 -0.056 5.111 21.478 1.00 1.00 O ATOM 0 H SER A 8 0.180 7.345 23.486 1.00 1.00 H new ATOM 0 HA SER A 8 2.125 6.253 21.752 1.00 1.00 H new ATOM 0 HB2 SER A 8 -0.791 7.041 21.584 1.00 1.00 H new ATOM 0 HB3 SER A 8 0.055 6.649 20.100 1.00 1.00 H new ATOM 0 HG SER A 8 -0.889 4.764 21.097 1.00 1.00 H new ATOM 133 N SER A 9 2.422 7.941 19.796 1.00 1.00 N ATOM 134 CA SER A 9 2.927 8.998 18.928 1.00 1.00 C ATOM 135 C SER A 9 3.295 8.437 17.557 1.00 1.00 C ATOM 136 O SER A 9 4.025 7.452 17.455 1.00 1.00 O ATOM 137 CB SER A 9 4.156 9.652 19.559 1.00 1.00 C ATOM 138 OG SER A 9 3.981 11.062 19.578 1.00 1.00 O ATOM 0 H SER A 9 2.548 6.996 19.434 1.00 1.00 H new ATOM 0 HA SER A 9 2.142 9.744 18.805 1.00 1.00 H new ATOM 0 HB2 SER A 9 4.301 9.278 20.573 1.00 1.00 H new ATOM 0 HB3 SER A 9 5.051 9.393 18.993 1.00 1.00 H new ATOM 0 HG SER A 9 4.767 11.484 19.984 1.00 1.00 H new ATOM 144 N GLY A 10 2.783 9.071 16.508 1.00 1.00 N ATOM 145 CA GLY A 10 3.065 8.626 15.147 1.00 1.00 C ATOM 146 C GLY A 10 2.513 9.613 14.125 1.00 1.00 C ATOM 147 O GLY A 10 1.614 9.284 13.352 1.00 1.00 O ATOM 0 H GLY A 10 2.176 9.888 16.572 1.00 1.00 H new ATOM 0 HA2 GLY A 10 4.141 8.520 15.011 1.00 1.00 H new ATOM 0 HA3 GLY A 10 2.624 7.643 14.983 1.00 1.00 H new ATOM 151 N LEU A 11 3.059 10.826 14.127 1.00 1.00 N ATOM 152 CA LEU A 11 2.613 11.854 13.194 1.00 1.00 C ATOM 153 C LEU A 11 3.263 11.657 11.829 1.00 1.00 C ATOM 154 O LEU A 11 4.374 11.133 11.729 1.00 1.00 O ATOM 155 CB LEU A 11 2.971 13.240 13.737 1.00 1.00 C ATOM 156 CG LEU A 11 1.751 13.843 14.436 1.00 1.00 C ATOM 157 CD1 LEU A 11 1.285 12.908 15.553 1.00 1.00 C ATOM 158 CD2 LEU A 11 2.126 15.202 15.032 1.00 1.00 C ATOM 0 H LEU A 11 3.804 11.119 14.759 1.00 1.00 H new ATOM 0 HA LEU A 11 1.532 11.774 13.083 1.00 1.00 H new ATOM 0 HB2 LEU A 11 3.804 13.165 14.436 1.00 1.00 H new ATOM 0 HB3 LEU A 11 3.295 13.889 12.923 1.00 1.00 H new ATOM 0 HG LEU A 11 0.946 13.971 13.713 1.00 1.00 H new ATOM 0 HD11 LEU A 11 0.416 13.339 16.050 1.00 1.00 H new ATOM 0 HD12 LEU A 11 1.018 11.940 15.129 1.00 1.00 H new ATOM 0 HD13 LEU A 11 2.089 12.777 16.277 1.00 1.00 H new ATOM 0 HD21 LEU A 11 1.258 15.633 15.530 1.00 1.00 H new ATOM 0 HD22 LEU A 11 2.932 15.073 15.754 1.00 1.00 H new ATOM 0 HD23 LEU A 11 2.456 15.870 14.236 1.00 1.00 H new ATOM 170 N VAL A 12 2.562 12.076 10.779 1.00 1.00 N ATOM 171 CA VAL A 12 3.076 11.941 9.421 1.00 1.00 C ATOM 172 C VAL A 12 2.882 13.239 8.641 1.00 1.00 C ATOM 173 O VAL A 12 1.996 13.338 7.793 1.00 1.00 O ATOM 174 CB VAL A 12 2.351 10.802 8.702 1.00 1.00 C ATOM 175 CG1 VAL A 12 2.919 9.461 9.170 1.00 1.00 C ATOM 176 CG2 VAL A 12 0.858 10.864 9.027 1.00 1.00 C ATOM 0 H VAL A 12 1.641 12.510 10.842 1.00 1.00 H new ATOM 0 HA VAL A 12 4.142 11.719 9.477 1.00 1.00 H new ATOM 0 HB VAL A 12 2.494 10.902 7.626 1.00 1.00 H new ATOM 0 HG11 VAL A 12 2.403 8.649 8.658 1.00 1.00 H new ATOM 0 HG12 VAL A 12 3.984 9.417 8.940 1.00 1.00 H new ATOM 0 HG13 VAL A 12 2.776 9.361 10.246 1.00 1.00 H new ATOM 0 HG21 VAL A 12 0.340 10.053 8.515 1.00 1.00 H new ATOM 0 HG22 VAL A 12 0.715 10.764 10.103 1.00 1.00 H new ATOM 0 HG23 VAL A 12 0.453 11.820 8.695 1.00 1.00 H new ATOM 186 N PRO A 13 3.692 14.228 8.915 1.00 1.00 N ATOM 187 CA PRO A 13 3.610 15.551 8.228 1.00 1.00 C ATOM 188 C PRO A 13 3.601 15.408 6.708 1.00 1.00 C ATOM 189 O PRO A 13 4.321 14.583 6.147 1.00 1.00 O ATOM 190 CB PRO A 13 4.865 16.288 8.700 1.00 1.00 C ATOM 191 CG PRO A 13 5.247 15.643 9.991 1.00 1.00 C ATOM 192 CD PRO A 13 4.772 14.192 9.910 1.00 1.00 C ATOM 0 HA PRO A 13 2.688 16.080 8.469 1.00 1.00 H new ATOM 0 HB2 PRO A 13 5.668 16.204 7.967 1.00 1.00 H new ATOM 0 HB3 PRO A 13 4.667 17.351 8.836 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.325 15.690 10.144 1.00 1.00 H new ATOM 0 HG3 PRO A 13 4.783 16.156 10.833 1.00 1.00 H new ATOM 0 HD2 PRO A 13 5.577 13.525 9.602 1.00 1.00 H new ATOM 0 HD3 PRO A 13 4.414 13.835 10.875 1.00 1.00 H new ATOM 200 N ARG A 14 2.780 16.221 6.049 1.00 1.00 N ATOM 201 CA ARG A 14 2.685 16.178 4.594 1.00 1.00 C ATOM 202 C ARG A 14 4.017 16.563 3.958 1.00 1.00 C ATOM 203 O ARG A 14 4.940 16.998 4.647 1.00 1.00 O ATOM 204 CB ARG A 14 1.593 17.135 4.113 1.00 1.00 C ATOM 205 CG ARG A 14 0.418 17.101 5.091 1.00 1.00 C ATOM 206 CD ARG A 14 -0.883 17.382 4.337 1.00 1.00 C ATOM 207 NE ARG A 14 -0.671 18.421 3.336 1.00 1.00 N ATOM 208 CZ ARG A 14 -1.692 19.098 2.822 1.00 1.00 C ATOM 209 NH1 ARG A 14 -2.909 18.838 3.211 1.00 1.00 N ATOM 210 NH2 ARG A 14 -1.476 20.025 1.927 1.00 1.00 N ATOM 0 H ARG A 14 2.176 16.912 6.495 1.00 1.00 H new ATOM 0 HA ARG A 14 2.433 15.160 4.296 1.00 1.00 H new ATOM 0 HB2 ARG A 14 1.989 18.148 4.039 1.00 1.00 H new ATOM 0 HB3 ARG A 14 1.258 16.850 3.116 1.00 1.00 H new ATOM 0 HG2 ARG A 14 0.365 16.127 5.578 1.00 1.00 H new ATOM 0 HG3 ARG A 14 0.563 17.843 5.876 1.00 1.00 H new ATOM 0 HD2 ARG A 14 -1.237 16.470 3.856 1.00 1.00 H new ATOM 0 HD3 ARG A 14 -1.658 17.694 5.037 1.00 1.00 H new ATOM 0 HE ARG A 14 0.277 18.632 3.025 1.00 1.00 H new ATOM 0 HH11 ARG A 14 -3.077 18.115 3.910 1.00 1.00 H new ATOM 0 HH12 ARG A 14 -3.693 19.358 2.816 1.00 1.00 H new ATOM 0 HH21 ARG A 14 -0.524 20.229 1.623 1.00 1.00 H new ATOM 0 HH22 ARG A 14 -2.260 20.545 1.532 1.00 1.00 H new ATOM 224 N GLY A 15 4.109 16.400 2.642 1.00 1.00 N ATOM 225 CA GLY A 15 5.333 16.735 1.922 1.00 1.00 C ATOM 226 C GLY A 15 5.676 15.657 0.901 1.00 1.00 C ATOM 227 O GLY A 15 5.364 15.788 -0.282 1.00 1.00 O ATOM 0 H GLY A 15 3.356 16.040 2.055 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.212 17.694 1.418 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.156 16.848 2.628 1.00 1.00 H new ATOM 231 N SER A 16 6.320 14.591 1.366 1.00 1.00 N ATOM 232 CA SER A 16 6.702 13.496 0.482 1.00 1.00 C ATOM 233 C SER A 16 5.476 12.685 0.074 1.00 1.00 C ATOM 234 O SER A 16 5.594 11.667 -0.608 1.00 1.00 O ATOM 235 CB SER A 16 7.708 12.585 1.187 1.00 1.00 C ATOM 236 OG SER A 16 7.886 13.027 2.525 1.00 1.00 O ATOM 0 H SER A 16 6.586 14.463 2.342 1.00 1.00 H new ATOM 0 HA SER A 16 7.159 13.917 -0.414 1.00 1.00 H new ATOM 0 HB2 SER A 16 7.352 11.555 1.177 1.00 1.00 H new ATOM 0 HB3 SER A 16 8.661 12.598 0.658 1.00 1.00 H new ATOM 0 HG SER A 16 8.384 13.871 2.527 1.00 1.00 H new ATOM 242 N GLN A 17 4.303 13.143 0.495 1.00 1.00 N ATOM 243 CA GLN A 17 3.062 12.451 0.167 1.00 1.00 C ATOM 244 C GLN A 17 2.989 12.164 -1.330 1.00 1.00 C ATOM 245 O GLN A 17 2.320 11.224 -1.759 1.00 1.00 O ATOM 246 CB GLN A 17 1.861 13.302 0.584 1.00 1.00 C ATOM 247 CG GLN A 17 1.428 12.916 1.999 1.00 1.00 C ATOM 248 CD GLN A 17 0.627 11.619 1.964 1.00 1.00 C ATOM 249 OE1 GLN A 17 -0.530 11.614 1.544 1.00 1.00 O ATOM 250 NE2 GLN A 17 1.176 10.512 2.385 1.00 1.00 N ATOM 0 H GLN A 17 4.185 13.984 1.060 1.00 1.00 H new ATOM 0 HA GLN A 17 3.042 11.506 0.709 1.00 1.00 H new ATOM 0 HB2 GLN A 17 2.121 14.360 0.548 1.00 1.00 H new ATOM 0 HB3 GLN A 17 1.037 13.153 -0.113 1.00 1.00 H new ATOM 0 HG2 GLN A 17 2.304 12.795 2.636 1.00 1.00 H new ATOM 0 HG3 GLN A 17 0.826 13.713 2.434 1.00 1.00 H new ATOM 0 HE21 GLN A 17 2.135 10.518 2.733 1.00 1.00 H new ATOM 0 HE22 GLN A 17 0.646 9.641 2.366 1.00 1.00 H new ATOM 259 N GLU A 18 3.680 12.981 -2.118 1.00 1.00 N ATOM 260 CA GLU A 18 3.685 12.805 -3.566 1.00 1.00 C ATOM 261 C GLU A 18 4.179 11.411 -3.935 1.00 1.00 C ATOM 262 O GLU A 18 3.408 10.572 -4.401 1.00 1.00 O ATOM 263 CB GLU A 18 4.587 13.857 -4.214 1.00 1.00 C ATOM 264 CG GLU A 18 3.730 15.011 -4.737 1.00 1.00 C ATOM 265 CD GLU A 18 3.016 14.595 -6.019 1.00 1.00 C ATOM 266 OE1 GLU A 18 3.599 13.840 -6.780 1.00 1.00 O ATOM 267 OE2 GLU A 18 1.897 15.038 -6.221 1.00 1.00 O ATOM 0 H GLU A 18 4.239 13.765 -1.782 1.00 1.00 H new ATOM 0 HA GLU A 18 2.665 12.924 -3.932 1.00 1.00 H new ATOM 0 HB2 GLU A 18 5.311 14.227 -3.488 1.00 1.00 H new ATOM 0 HB3 GLU A 18 5.154 13.412 -5.031 1.00 1.00 H new ATOM 0 HG2 GLU A 18 2.999 15.302 -3.983 1.00 1.00 H new ATOM 0 HG3 GLU A 18 4.357 15.882 -4.927 1.00 1.00 H new ATOM 274 N ILE A 19 5.468 11.168 -3.722 1.00 1.00 N ATOM 275 CA ILE A 19 6.049 9.869 -4.037 1.00 1.00 C ATOM 276 C ILE A 19 5.141 8.748 -3.545 1.00 1.00 C ATOM 277 O ILE A 19 4.967 7.735 -4.222 1.00 1.00 O ATOM 278 CB ILE A 19 7.424 9.737 -3.382 1.00 1.00 C ATOM 279 CG1 ILE A 19 8.465 10.468 -4.233 1.00 1.00 C ATOM 280 CG2 ILE A 19 7.799 8.258 -3.277 1.00 1.00 C ATOM 281 CD1 ILE A 19 9.664 10.846 -3.361 1.00 1.00 C ATOM 0 H ILE A 19 6.125 11.847 -3.336 1.00 1.00 H new ATOM 0 HA ILE A 19 6.155 9.791 -5.119 1.00 1.00 H new ATOM 0 HB ILE A 19 7.396 10.176 -2.385 1.00 1.00 H new ATOM 0 HG12 ILE A 19 8.788 9.832 -5.057 1.00 1.00 H new ATOM 0 HG13 ILE A 19 8.026 11.363 -4.674 1.00 1.00 H new ATOM 0 HG21 ILE A 19 8.779 8.163 -2.810 1.00 1.00 H new ATOM 0 HG22 ILE A 19 7.057 7.737 -2.672 1.00 1.00 H new ATOM 0 HG23 ILE A 19 7.828 7.818 -4.274 1.00 1.00 H new ATOM 0 HD11 ILE A 19 10.405 11.367 -3.967 1.00 1.00 H new ATOM 0 HD12 ILE A 19 9.334 11.498 -2.552 1.00 1.00 H new ATOM 0 HD13 ILE A 19 10.108 9.943 -2.941 1.00 1.00 H new ATOM 293 N GLU A 20 4.562 8.939 -2.366 1.00 1.00 N ATOM 294 CA GLU A 20 3.670 7.939 -1.795 1.00 1.00 C ATOM 295 C GLU A 20 2.426 7.783 -2.662 1.00 1.00 C ATOM 296 O GLU A 20 2.009 6.668 -2.970 1.00 1.00 O ATOM 297 CB GLU A 20 3.259 8.349 -0.380 1.00 1.00 C ATOM 298 CG GLU A 20 4.100 7.581 0.639 1.00 1.00 C ATOM 299 CD GLU A 20 5.584 7.822 0.380 1.00 1.00 C ATOM 300 OE1 GLU A 20 6.161 7.071 -0.390 1.00 1.00 O ATOM 301 OE2 GLU A 20 6.122 8.752 0.956 1.00 1.00 O ATOM 0 H GLU A 20 4.693 9.771 -1.791 1.00 1.00 H new ATOM 0 HA GLU A 20 4.198 6.986 -1.755 1.00 1.00 H new ATOM 0 HB2 GLU A 20 3.397 9.422 -0.246 1.00 1.00 H new ATOM 0 HB3 GLU A 20 2.200 8.142 -0.223 1.00 1.00 H new ATOM 0 HG2 GLU A 20 3.842 7.900 1.649 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.880 6.515 0.575 1.00 1.00 H new ATOM 308 N ALA A 21 1.838 8.909 -3.051 1.00 1.00 N ATOM 309 CA ALA A 21 0.640 8.883 -3.881 1.00 1.00 C ATOM 310 C ALA A 21 0.894 8.102 -5.168 1.00 1.00 C ATOM 311 O ALA A 21 0.158 7.171 -5.494 1.00 1.00 O ATOM 312 CB ALA A 21 0.205 10.308 -4.225 1.00 1.00 C ATOM 0 H ALA A 21 2.168 9.843 -2.808 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.153 8.389 -3.319 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.691 10.275 -4.845 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.009 10.855 -3.307 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.005 10.811 -4.769 1.00 1.00 H new ATOM 318 N LYS A 22 1.937 8.492 -5.896 1.00 1.00 N ATOM 319 CA LYS A 22 2.276 7.823 -7.148 1.00 1.00 C ATOM 320 C LYS A 22 2.437 6.321 -6.937 1.00 1.00 C ATOM 321 O LYS A 22 1.887 5.518 -7.689 1.00 1.00 O ATOM 322 CB LYS A 22 3.573 8.403 -7.715 1.00 1.00 C ATOM 323 CG LYS A 22 3.335 9.849 -8.169 1.00 1.00 C ATOM 324 CD LYS A 22 3.341 9.943 -9.705 1.00 1.00 C ATOM 325 CE LYS A 22 2.103 9.250 -10.290 1.00 1.00 C ATOM 326 NZ LYS A 22 2.333 7.780 -10.355 1.00 1.00 N ATOM 0 H LYS A 22 2.557 9.261 -5.643 1.00 1.00 H new ATOM 0 HA LYS A 22 1.462 7.989 -7.854 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.358 8.373 -6.959 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.917 7.799 -8.555 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.381 10.205 -7.781 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.108 10.497 -7.757 1.00 1.00 H new ATOM 0 HD2 LYS A 22 3.358 10.989 -10.011 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.245 9.480 -10.100 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.230 9.464 -9.674 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.893 9.639 -11.286 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 1.955 7.409 -11.250 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.353 7.586 -10.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 1.851 7.318 -9.558 1.00 1.00 H new ATOM 340 N GLU A 23 3.192 5.947 -5.909 1.00 1.00 N ATOM 341 CA GLU A 23 3.410 4.541 -5.614 1.00 1.00 C ATOM 342 C GLU A 23 2.086 3.891 -5.264 1.00 1.00 C ATOM 343 O GLU A 23 1.720 2.856 -5.815 1.00 1.00 O ATOM 344 CB GLU A 23 4.386 4.395 -4.447 1.00 1.00 C ATOM 345 CG GLU A 23 5.768 4.015 -4.982 1.00 1.00 C ATOM 346 CD GLU A 23 5.782 2.545 -5.390 1.00 1.00 C ATOM 347 OE1 GLU A 23 5.208 1.746 -4.668 1.00 1.00 O ATOM 348 OE2 GLU A 23 6.358 2.243 -6.420 1.00 1.00 O ATOM 0 H GLU A 23 3.658 6.594 -5.273 1.00 1.00 H new ATOM 0 HA GLU A 23 3.836 4.051 -6.489 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.445 5.330 -3.889 1.00 1.00 H new ATOM 0 HB3 GLU A 23 4.030 3.632 -3.755 1.00 1.00 H new ATOM 0 HG2 GLU A 23 6.021 4.641 -5.838 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.525 4.197 -4.219 1.00 1.00 H new ATOM 355 N ALA A 24 1.373 4.515 -4.341 1.00 1.00 N ATOM 356 CA ALA A 24 0.084 4.009 -3.912 1.00 1.00 C ATOM 357 C ALA A 24 -0.741 3.538 -5.106 1.00 1.00 C ATOM 358 O ALA A 24 -1.314 2.449 -5.088 1.00 1.00 O ATOM 359 CB ALA A 24 -0.666 5.114 -3.171 1.00 1.00 C ATOM 0 H ALA A 24 1.667 5.373 -3.875 1.00 1.00 H new ATOM 0 HA ALA A 24 0.243 3.157 -3.251 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.637 4.740 -2.846 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.088 5.427 -2.302 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -0.810 5.965 -3.836 1.00 1.00 H new ATOM 365 N CYS A 25 -0.800 4.371 -6.137 1.00 1.00 N ATOM 366 CA CYS A 25 -1.564 4.040 -7.337 1.00 1.00 C ATOM 367 C CYS A 25 -0.825 3.016 -8.197 1.00 1.00 C ATOM 368 O CYS A 25 -1.436 2.101 -8.746 1.00 1.00 O ATOM 369 CB CYS A 25 -1.815 5.307 -8.158 1.00 1.00 C ATOM 370 SG CYS A 25 -1.421 4.988 -9.896 1.00 1.00 S ATOM 0 H CYS A 25 -0.331 5.276 -6.169 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.514 3.607 -7.024 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.856 5.616 -8.061 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.203 6.126 -7.780 1.00 1.00 H new ATOM 0 HG CYS A 25 -0.148 5.162 -10.091 1.00 1.00 H new ATOM 376 N ASP A 26 0.488 3.179 -8.311 1.00 1.00 N ATOM 377 CA ASP A 26 1.296 2.263 -9.111 1.00 1.00 C ATOM 378 C ASP A 26 1.498 0.941 -8.377 1.00 1.00 C ATOM 379 O ASP A 26 1.967 -0.039 -8.957 1.00 1.00 O ATOM 380 CB ASP A 26 2.655 2.895 -9.412 1.00 1.00 C ATOM 381 CG ASP A 26 2.461 4.265 -10.055 1.00 1.00 C ATOM 382 OD1 ASP A 26 1.387 4.823 -9.900 1.00 1.00 O ATOM 383 OD2 ASP A 26 3.391 4.737 -10.689 1.00 1.00 O ATOM 0 H ASP A 26 1.014 3.930 -7.864 1.00 1.00 H new ATOM 0 HA ASP A 26 0.770 2.067 -10.046 1.00 1.00 H new ATOM 0 HB2 ASP A 26 3.231 2.994 -8.492 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.227 2.249 -10.078 1.00 1.00 H new ATOM 388 N TRP A 27 1.149 0.926 -7.097 1.00 1.00 N ATOM 389 CA TRP A 27 1.298 -0.272 -6.283 1.00 1.00 C ATOM 390 C TRP A 27 0.008 -1.086 -6.287 1.00 1.00 C ATOM 391 O TRP A 27 0.039 -2.318 -6.297 1.00 1.00 O ATOM 392 CB TRP A 27 1.657 0.120 -4.848 1.00 1.00 C ATOM 393 CG TRP A 27 1.829 -1.110 -4.016 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.998 -1.769 -3.836 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.827 -1.838 -3.249 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.776 -2.854 -3.007 1.00 1.00 N ATOM 397 CE2 TRP A 27 1.453 -2.939 -2.620 1.00 1.00 C ATOM 398 CE3 TRP A 27 -0.552 -1.651 -3.042 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.738 -3.823 -1.811 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.274 -2.539 -2.228 1.00 1.00 C ATOM 401 CH2 TRP A 27 -0.631 -3.623 -1.615 1.00 1.00 C ATOM 0 H TRP A 27 0.761 1.729 -6.601 1.00 1.00 H new ATOM 0 HA TRP A 27 2.097 -0.883 -6.704 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.575 0.707 -4.840 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.873 0.749 -4.426 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.948 -1.493 -4.269 1.00 1.00 H new ATOM 0 HE1 TRP A 27 3.501 -3.511 -2.717 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.058 -0.820 -3.511 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 1.239 -4.656 -1.340 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.332 -2.386 -2.073 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.193 -4.303 -0.992 1.00 1.00 H new ATOM 412 N LEU A 28 -1.126 -0.391 -6.277 1.00 1.00 N ATOM 413 CA LEU A 28 -2.420 -1.062 -6.279 1.00 1.00 C ATOM 414 C LEU A 28 -2.559 -1.948 -7.513 1.00 1.00 C ATOM 415 O LEU A 28 -3.299 -2.931 -7.506 1.00 1.00 O ATOM 416 CB LEU A 28 -3.550 -0.029 -6.263 1.00 1.00 C ATOM 417 CG LEU A 28 -3.802 0.444 -4.827 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.364 1.866 -4.848 1.00 1.00 C ATOM 419 CD2 LEU A 28 -4.816 -0.483 -4.152 1.00 1.00 C ATOM 0 H LEU A 28 -1.175 0.628 -6.268 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.486 -1.683 -5.386 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.288 0.820 -6.894 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.459 -0.465 -6.677 1.00 1.00 H new ATOM 0 HG LEU A 28 -2.863 0.427 -4.274 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.543 2.202 -3.827 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.649 2.533 -5.329 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.302 1.878 -5.404 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -4.994 -0.145 -3.131 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -5.753 -0.465 -4.709 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.424 -1.500 -4.135 1.00 1.00 H new ATOM 431 N ARG A 29 -1.846 -1.591 -8.575 1.00 1.00 N ATOM 432 CA ARG A 29 -1.901 -2.357 -9.815 1.00 1.00 C ATOM 433 C ARG A 29 -1.075 -3.635 -9.702 1.00 1.00 C ATOM 434 O ARG A 29 -1.460 -4.680 -10.226 1.00 1.00 O ATOM 435 CB ARG A 29 -1.372 -1.509 -10.974 1.00 1.00 C ATOM 436 CG ARG A 29 -2.548 -0.918 -11.755 1.00 1.00 C ATOM 437 CD ARG A 29 -2.017 -0.037 -12.889 1.00 1.00 C ATOM 438 NE ARG A 29 -2.663 1.270 -12.857 1.00 1.00 N ATOM 439 CZ ARG A 29 -3.986 1.384 -12.919 1.00 1.00 C ATOM 440 NH1 ARG A 29 -4.730 0.315 -13.005 1.00 1.00 N ATOM 441 NH2 ARG A 29 -4.540 2.565 -12.896 1.00 1.00 N ATOM 0 H ARG A 29 -1.227 -0.781 -8.603 1.00 1.00 H new ATOM 0 HA ARG A 29 -2.940 -2.629 -10.003 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -0.737 -0.709 -10.593 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -0.755 -2.120 -11.633 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -3.167 -1.718 -12.161 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -3.181 -0.331 -11.090 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -0.938 0.080 -12.793 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -2.201 -0.518 -13.850 1.00 1.00 H new ATOM 0 HE ARG A 29 -2.090 2.111 -12.786 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -4.296 -0.608 -13.025 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -5.745 0.403 -13.053 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -3.958 3.400 -12.831 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -5.555 2.653 -12.944 1.00 1.00 H new ATOM 455 N ALA A 30 0.062 -3.545 -9.021 1.00 1.00 N ATOM 456 CA ALA A 30 0.934 -4.703 -8.854 1.00 1.00 C ATOM 457 C ALA A 30 0.503 -5.539 -7.653 1.00 1.00 C ATOM 458 O ALA A 30 1.050 -6.614 -7.405 1.00 1.00 O ATOM 459 CB ALA A 30 2.380 -4.242 -8.662 1.00 1.00 C ATOM 0 H ALA A 30 0.400 -2.690 -8.579 1.00 1.00 H new ATOM 0 HA ALA A 30 0.861 -5.318 -9.751 1.00 1.00 H new ATOM 0 HB1 ALA A 30 3.026 -5.111 -8.538 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.700 -3.674 -9.536 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.446 -3.611 -7.775 1.00 1.00 H new ATOM 465 N ALA A 31 -0.479 -5.040 -6.910 1.00 1.00 N ATOM 466 CA ALA A 31 -0.970 -5.752 -5.736 1.00 1.00 C ATOM 467 C ALA A 31 -2.217 -6.562 -6.078 1.00 1.00 C ATOM 468 O ALA A 31 -2.669 -7.386 -5.283 1.00 1.00 O ATOM 469 CB ALA A 31 -1.297 -4.756 -4.624 1.00 1.00 C ATOM 0 H ALA A 31 -0.947 -4.153 -7.097 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.191 -6.435 -5.398 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -1.663 -5.294 -3.750 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.398 -4.200 -4.358 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.063 -4.062 -4.970 1.00 1.00 H new ATOM 475 N GLY A 32 -2.767 -6.320 -7.262 1.00 1.00 N ATOM 476 CA GLY A 32 -3.962 -7.033 -7.699 1.00 1.00 C ATOM 477 C GLY A 32 -5.192 -6.135 -7.605 1.00 1.00 C ATOM 478 O GLY A 32 -6.320 -6.620 -7.511 1.00 1.00 O ATOM 0 H GLY A 32 -2.408 -5.641 -7.933 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.833 -7.374 -8.726 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.107 -7.921 -7.084 1.00 1.00 H new ATOM 482 N PHE A 33 -4.962 -4.827 -7.633 1.00 1.00 N ATOM 483 CA PHE A 33 -6.053 -3.861 -7.551 1.00 1.00 C ATOM 484 C PHE A 33 -5.910 -2.808 -8.646 1.00 1.00 C ATOM 485 O PHE A 33 -5.521 -1.671 -8.382 1.00 1.00 O ATOM 486 CB PHE A 33 -6.043 -3.179 -6.181 1.00 1.00 C ATOM 487 CG PHE A 33 -6.176 -4.221 -5.096 1.00 1.00 C ATOM 488 CD1 PHE A 33 -7.417 -4.823 -4.853 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.060 -4.586 -4.334 1.00 1.00 C ATOM 490 CE1 PHE A 33 -7.541 -5.790 -3.848 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.184 -5.552 -3.328 1.00 1.00 C ATOM 492 CZ PHE A 33 -6.424 -6.154 -3.086 1.00 1.00 C ATOM 0 H PHE A 33 -4.034 -4.412 -7.712 1.00 1.00 H new ATOM 0 HA PHE A 33 -6.997 -4.389 -7.686 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -5.118 -2.618 -6.049 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -6.862 -2.463 -6.114 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -8.278 -4.541 -5.441 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -4.103 -4.122 -4.522 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -8.498 -6.255 -3.661 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.323 -5.832 -2.739 1.00 1.00 H new ATOM 0 HZ PHE A 33 -6.520 -6.900 -2.311 1.00 1.00 H new ATOM 502 N PRO A 34 -6.207 -3.170 -9.866 1.00 1.00 N ATOM 503 CA PRO A 34 -6.103 -2.249 -11.029 1.00 1.00 C ATOM 504 C PRO A 34 -7.316 -1.330 -11.162 1.00 1.00 C ATOM 505 O PRO A 34 -7.184 -0.172 -11.557 1.00 1.00 O ATOM 506 CB PRO A 34 -6.003 -3.199 -12.221 1.00 1.00 C ATOM 507 CG PRO A 34 -6.714 -4.446 -11.804 1.00 1.00 C ATOM 508 CD PRO A 34 -6.677 -4.504 -10.271 1.00 1.00 C ATOM 0 HA PRO A 34 -5.255 -1.570 -10.938 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -6.463 -2.764 -13.108 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.962 -3.406 -12.471 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -7.743 -4.440 -12.163 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -6.232 -5.324 -12.233 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -7.662 -4.721 -9.858 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -6.004 -5.286 -9.919 1.00 1.00 H new ATOM 516 N GLN A 35 -8.495 -1.852 -10.835 1.00 1.00 N ATOM 517 CA GLN A 35 -9.718 -1.064 -10.928 1.00 1.00 C ATOM 518 C GLN A 35 -9.660 0.138 -9.992 1.00 1.00 C ATOM 519 O GLN A 35 -10.185 1.207 -10.304 1.00 1.00 O ATOM 520 CB GLN A 35 -10.919 -1.941 -10.568 1.00 1.00 C ATOM 521 CG GLN A 35 -12.131 -1.060 -10.264 1.00 1.00 C ATOM 522 CD GLN A 35 -12.141 -0.672 -8.789 1.00 1.00 C ATOM 523 OE1 GLN A 35 -12.185 0.512 -8.457 1.00 1.00 O ATOM 524 NE2 GLN A 35 -12.103 -1.606 -7.879 1.00 1.00 N ATOM 0 H GLN A 35 -8.628 -2.808 -10.506 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.821 -0.700 -11.950 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.147 -2.617 -11.392 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.682 -2.561 -9.703 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -12.103 -0.164 -10.884 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -13.049 -1.592 -10.514 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -12.067 -2.587 -8.156 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -12.110 -1.355 -6.890 1.00 1.00 H new ATOM 533 N TYR A 36 -9.025 -0.044 -8.841 1.00 1.00 N ATOM 534 CA TYR A 36 -8.912 1.037 -7.868 1.00 1.00 C ATOM 535 C TYR A 36 -8.165 2.223 -8.472 1.00 1.00 C ATOM 536 O TYR A 36 -8.754 3.274 -8.709 1.00 1.00 O ATOM 537 CB TYR A 36 -8.165 0.540 -6.632 1.00 1.00 C ATOM 538 CG TYR A 36 -9.155 0.099 -5.581 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.736 1.049 -4.731 1.00 1.00 C ATOM 540 CD2 TYR A 36 -9.485 -1.255 -5.448 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.645 0.643 -3.747 1.00 1.00 C ATOM 542 CE2 TYR A 36 -10.396 -1.660 -4.464 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.975 -0.711 -3.614 1.00 1.00 C ATOM 544 OH TYR A 36 -11.869 -1.112 -2.643 1.00 1.00 O ATOM 0 H TYR A 36 -8.584 -0.920 -8.559 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.914 1.359 -7.586 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.511 -0.290 -6.900 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.529 1.332 -6.237 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.483 2.094 -4.835 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -9.037 -1.987 -6.104 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -11.092 1.375 -3.090 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -10.651 -2.704 -4.361 1.00 1.00 H new ATOM 0 HH TYR A 36 -12.577 -1.652 -3.053 1.00 1.00 H new ATOM 554 N ALA A 37 -6.872 2.043 -8.721 1.00 1.00 N ATOM 555 CA ALA A 37 -6.047 3.102 -9.302 1.00 1.00 C ATOM 556 C ALA A 37 -6.829 3.895 -10.344 1.00 1.00 C ATOM 557 O ALA A 37 -6.741 5.121 -10.402 1.00 1.00 O ATOM 558 CB ALA A 37 -4.806 2.491 -9.956 1.00 1.00 C ATOM 0 H ALA A 37 -6.371 1.175 -8.531 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.749 3.779 -8.501 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -4.195 3.284 -10.387 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -4.227 1.953 -9.205 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -5.112 1.800 -10.742 1.00 1.00 H new ATOM 564 N GLN A 38 -7.594 3.186 -11.162 1.00 1.00 N ATOM 565 CA GLN A 38 -8.390 3.826 -12.199 1.00 1.00 C ATOM 566 C GLN A 38 -9.148 5.029 -11.640 1.00 1.00 C ATOM 567 O GLN A 38 -9.254 6.064 -12.297 1.00 1.00 O ATOM 568 CB GLN A 38 -9.378 2.813 -12.774 1.00 1.00 C ATOM 569 CG GLN A 38 -9.201 2.721 -14.289 1.00 1.00 C ATOM 570 CD GLN A 38 -9.544 4.062 -14.932 1.00 1.00 C ATOM 571 OE1 GLN A 38 -10.719 4.389 -15.095 1.00 1.00 O ATOM 572 NE2 GLN A 38 -8.582 4.862 -15.304 1.00 1.00 N ATOM 0 H GLN A 38 -7.680 2.170 -11.128 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.722 4.179 -12.985 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.217 1.835 -12.320 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.399 3.111 -12.535 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -8.174 2.445 -14.528 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -9.844 1.939 -14.693 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -7.609 4.588 -15.167 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -8.803 5.761 -15.731 1.00 1.00 H new ATOM 581 N LEU A 39 -9.675 4.885 -10.427 1.00 1.00 N ATOM 582 CA LEU A 39 -10.422 5.970 -9.799 1.00 1.00 C ATOM 583 C LEU A 39 -9.555 7.219 -9.661 1.00 1.00 C ATOM 584 O LEU A 39 -10.055 8.342 -9.726 1.00 1.00 O ATOM 585 CB LEU A 39 -10.925 5.535 -8.418 1.00 1.00 C ATOM 586 CG LEU A 39 -12.192 4.689 -8.573 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.286 3.692 -7.417 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.423 5.599 -8.559 1.00 1.00 C ATOM 0 H LEU A 39 -9.600 4.037 -9.865 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.275 6.207 -10.435 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.154 4.962 -7.904 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.134 6.411 -7.804 1.00 1.00 H new ATOM 0 HG LEU A 39 -12.150 4.149 -9.519 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -13.188 3.090 -7.528 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.412 3.041 -7.426 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.325 4.233 -6.472 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.323 4.995 -8.669 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.464 6.142 -7.614 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.360 6.310 -9.383 1.00 1.00 H new ATOM 600 N TYR A 40 -8.252 7.019 -9.474 1.00 1.00 N ATOM 601 CA TYR A 40 -7.331 8.142 -9.334 1.00 1.00 C ATOM 602 C TYR A 40 -7.488 9.109 -10.503 1.00 1.00 C ATOM 603 O TYR A 40 -7.793 10.286 -10.310 1.00 1.00 O ATOM 604 CB TYR A 40 -5.888 7.637 -9.276 1.00 1.00 C ATOM 605 CG TYR A 40 -4.958 8.787 -8.962 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.019 9.412 -7.711 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.036 9.225 -9.919 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.156 10.475 -7.416 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.174 10.288 -9.626 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.234 10.914 -8.375 1.00 1.00 C ATOM 611 OH TYR A 40 -2.384 11.961 -8.084 1.00 1.00 O ATOM 0 H TYR A 40 -7.815 6.099 -9.417 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.566 8.665 -8.407 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.794 6.862 -8.515 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.613 7.184 -10.228 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.732 9.074 -6.973 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.989 8.743 -10.884 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.201 10.956 -6.450 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.462 10.625 -10.365 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.808 12.139 -8.856 1.00 1.00 H new ATOM 621 N GLU A 41 -7.271 8.605 -11.713 1.00 1.00 N ATOM 622 CA GLU A 41 -7.390 9.434 -12.907 1.00 1.00 C ATOM 623 C GLU A 41 -8.596 10.363 -12.806 1.00 1.00 C ATOM 624 O GLU A 41 -8.515 11.539 -13.155 1.00 1.00 O ATOM 625 CB GLU A 41 -7.529 8.545 -14.144 1.00 1.00 C ATOM 626 CG GLU A 41 -6.164 7.960 -14.508 1.00 1.00 C ATOM 627 CD GLU A 41 -6.333 6.557 -15.081 1.00 1.00 C ATOM 628 OE1 GLU A 41 -6.410 5.625 -14.298 1.00 1.00 O ATOM 629 OE2 GLU A 41 -6.381 6.435 -16.294 1.00 1.00 O ATOM 0 H GLU A 41 -7.014 7.634 -11.893 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.490 10.043 -12.993 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.240 7.742 -13.950 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.922 9.125 -14.979 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.667 8.601 -15.236 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -5.526 7.926 -13.625 1.00 1.00 H new ATOM 636 N ASP A 42 -9.716 9.826 -12.329 1.00 1.00 N ATOM 637 CA ASP A 42 -10.933 10.620 -12.191 1.00 1.00 C ATOM 638 C ASP A 42 -10.873 11.487 -10.938 1.00 1.00 C ATOM 639 O ASP A 42 -11.558 12.505 -10.843 1.00 1.00 O ATOM 640 CB ASP A 42 -12.151 9.698 -12.118 1.00 1.00 C ATOM 641 CG ASP A 42 -13.417 10.480 -12.454 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.322 11.688 -12.603 1.00 1.00 O ATOM 643 OD2 ASP A 42 -14.462 9.860 -12.560 1.00 1.00 O ATOM 0 H ASP A 42 -9.806 8.854 -12.034 1.00 1.00 H new ATOM 0 HA ASP A 42 -11.019 11.270 -13.062 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -12.031 8.867 -12.814 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.233 9.268 -11.120 1.00 1.00 H new ATOM 648 N SER A 43 -10.051 11.076 -9.977 1.00 1.00 N ATOM 649 CA SER A 43 -9.908 11.822 -8.732 1.00 1.00 C ATOM 650 C SER A 43 -11.066 11.518 -7.788 1.00 1.00 C ATOM 651 O SER A 43 -11.448 12.356 -6.971 1.00 1.00 O ATOM 652 CB SER A 43 -9.863 13.322 -9.022 1.00 1.00 C ATOM 653 OG SER A 43 -11.178 13.857 -8.935 1.00 1.00 O ATOM 0 H SER A 43 -9.477 10.235 -10.036 1.00 1.00 H new ATOM 0 HA SER A 43 -8.976 11.518 -8.255 1.00 1.00 H new ATOM 0 HB2 SER A 43 -9.207 13.822 -8.310 1.00 1.00 H new ATOM 0 HB3 SER A 43 -9.451 13.500 -10.015 1.00 1.00 H new ATOM 0 HG SER A 43 -11.666 13.661 -9.762 1.00 1.00 H new ATOM 659 N GLN A 44 -11.617 10.313 -7.905 1.00 1.00 N ATOM 660 CA GLN A 44 -12.731 9.901 -7.055 1.00 1.00 C ATOM 661 C GLN A 44 -12.268 8.858 -6.045 1.00 1.00 C ATOM 662 O GLN A 44 -13.050 8.019 -5.600 1.00 1.00 O ATOM 663 CB GLN A 44 -13.854 9.319 -7.914 1.00 1.00 C ATOM 664 CG GLN A 44 -14.323 10.368 -8.924 1.00 1.00 C ATOM 665 CD GLN A 44 -15.747 10.803 -8.600 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.991 11.982 -8.337 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.708 9.920 -8.603 1.00 1.00 N ATOM 0 H GLN A 44 -11.313 9.608 -8.576 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.101 10.774 -6.518 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.503 8.429 -8.436 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.687 9.010 -7.282 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.657 11.230 -8.901 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.280 9.958 -9.933 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.504 8.945 -8.821 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.663 10.205 -8.387 1.00 1.00 H new ATOM 676 N PHE A 45 -10.988 8.917 -5.690 1.00 1.00 N ATOM 677 CA PHE A 45 -10.426 7.972 -4.735 1.00 1.00 C ATOM 678 C PHE A 45 -11.076 8.122 -3.372 1.00 1.00 C ATOM 679 O PHE A 45 -11.385 7.127 -2.717 1.00 1.00 O ATOM 680 CB PHE A 45 -8.917 8.184 -4.609 1.00 1.00 C ATOM 681 CG PHE A 45 -8.194 6.945 -5.079 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.244 6.579 -6.429 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.468 6.166 -4.169 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.567 5.435 -6.870 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.792 5.022 -4.610 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.842 4.656 -5.960 1.00 1.00 C ATOM 0 H PHE A 45 -10.325 9.605 -6.047 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.622 6.965 -5.104 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.609 9.045 -5.202 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.655 8.400 -3.573 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.805 7.179 -7.131 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.430 6.448 -3.127 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.604 5.154 -7.912 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -6.232 4.422 -3.908 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.321 3.773 -6.300 1.00 1.00 H new ATOM 696 N PRO A 46 -11.290 9.327 -2.923 1.00 1.00 N ATOM 697 CA PRO A 46 -11.921 9.549 -1.602 1.00 1.00 C ATOM 698 C PRO A 46 -13.339 8.991 -1.577 1.00 1.00 C ATOM 699 O PRO A 46 -14.223 9.475 -2.280 1.00 1.00 O ATOM 700 CB PRO A 46 -11.926 11.075 -1.434 1.00 1.00 C ATOM 701 CG PRO A 46 -11.007 11.614 -2.485 1.00 1.00 C ATOM 702 CD PRO A 46 -10.962 10.581 -3.605 1.00 1.00 C ATOM 0 HA PRO A 46 -11.387 9.046 -0.796 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.932 11.476 -1.554 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.586 11.358 -0.438 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.367 12.573 -2.858 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.011 11.785 -2.077 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.680 10.810 -4.392 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -9.979 10.539 -4.073 1.00 1.00 H new ATOM 710 N ILE A 47 -13.534 7.972 -0.752 1.00 1.00 N ATOM 711 CA ILE A 47 -14.834 7.320 -0.608 1.00 1.00 C ATOM 712 C ILE A 47 -14.791 6.352 0.570 1.00 1.00 C ATOM 713 O ILE A 47 -13.762 6.209 1.227 1.00 1.00 O ATOM 714 CB ILE A 47 -15.196 6.528 -1.883 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.940 5.840 -2.426 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.773 7.444 -2.976 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.291 4.428 -2.894 1.00 1.00 C ATOM 0 H ILE A 47 -12.801 7.573 -0.165 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.586 8.092 -0.441 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.954 5.792 -1.616 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.526 6.416 -3.254 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.173 5.798 -1.653 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -16.016 6.850 -3.857 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.676 7.929 -2.605 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -15.037 8.203 -3.241 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.396 3.940 -3.280 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.684 3.854 -2.055 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -15.043 4.482 -3.681 1.00 1.00 H new ATOM 729 N ASN A 48 -15.909 5.683 0.829 1.00 1.00 N ATOM 730 CA ASN A 48 -15.971 4.725 1.928 1.00 1.00 C ATOM 731 C ASN A 48 -14.884 3.666 1.762 1.00 1.00 C ATOM 732 O ASN A 48 -15.133 2.584 1.229 1.00 1.00 O ATOM 733 CB ASN A 48 -17.343 4.051 1.951 1.00 1.00 C ATOM 734 CG ASN A 48 -17.581 3.383 3.300 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.640 3.173 4.066 1.00 1.00 O ATOM 736 ND2 ASN A 48 -18.790 3.029 3.637 1.00 1.00 N ATOM 0 H ASN A 48 -16.775 5.784 0.300 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.812 5.255 2.867 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -18.122 4.789 1.761 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.405 3.310 1.154 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -18.957 2.577 4.536 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -19.568 3.204 3.001 1.00 1.00 H new ATOM 743 N ILE A 49 -13.675 3.988 2.213 1.00 1.00 N ATOM 744 CA ILE A 49 -12.554 3.060 2.100 1.00 1.00 C ATOM 745 C ILE A 49 -12.824 1.772 2.878 1.00 1.00 C ATOM 746 O ILE A 49 -12.511 0.679 2.412 1.00 1.00 O ATOM 747 CB ILE A 49 -11.277 3.715 2.632 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.763 4.739 1.618 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.208 2.640 2.850 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.681 5.604 2.268 1.00 1.00 C ATOM 0 H ILE A 49 -13.447 4.878 2.657 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.430 2.810 1.046 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.494 4.216 3.576 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.359 4.229 0.744 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.584 5.366 1.270 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.297 3.104 3.229 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.570 1.908 3.572 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.995 2.142 1.904 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.315 6.333 1.545 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -10.100 6.125 3.129 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.856 4.971 2.594 1.00 1.00 H new ATOM 762 N VAL A 50 -13.387 1.917 4.071 1.00 1.00 N ATOM 763 CA VAL A 50 -13.678 0.765 4.922 1.00 1.00 C ATOM 764 C VAL A 50 -14.528 -0.280 4.197 1.00 1.00 C ATOM 765 O VAL A 50 -14.274 -1.481 4.310 1.00 1.00 O ATOM 766 CB VAL A 50 -14.412 1.226 6.182 1.00 1.00 C ATOM 767 CG1 VAL A 50 -14.328 0.134 7.249 1.00 1.00 C ATOM 768 CG2 VAL A 50 -13.761 2.506 6.710 1.00 1.00 C ATOM 0 H VAL A 50 -13.651 2.817 4.472 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.727 0.303 5.186 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.458 1.421 5.944 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -14.851 0.462 8.147 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -14.790 -0.779 6.873 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -13.283 -0.061 7.489 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -14.283 2.836 7.608 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -12.716 2.311 6.949 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -13.820 3.285 5.949 1.00 1.00 H new ATOM 778 N ALA A 51 -15.553 0.172 3.485 1.00 1.00 N ATOM 779 CA ALA A 51 -16.449 -0.744 2.783 1.00 1.00 C ATOM 780 C ALA A 51 -15.814 -1.325 1.518 1.00 1.00 C ATOM 781 O ALA A 51 -15.609 -2.535 1.416 1.00 1.00 O ATOM 782 CB ALA A 51 -17.741 -0.016 2.409 1.00 1.00 C ATOM 0 H ALA A 51 -15.785 1.159 3.378 1.00 1.00 H new ATOM 0 HA ALA A 51 -16.659 -1.572 3.460 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.407 -0.702 1.886 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.230 0.345 3.314 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.508 0.829 1.761 1.00 1.00 H new ATOM 788 N VAL A 52 -15.533 -0.465 0.546 1.00 1.00 N ATOM 789 CA VAL A 52 -14.955 -0.915 -0.719 1.00 1.00 C ATOM 790 C VAL A 52 -13.861 -1.957 -0.496 1.00 1.00 C ATOM 791 O VAL A 52 -13.889 -3.028 -1.103 1.00 1.00 O ATOM 792 CB VAL A 52 -14.391 0.278 -1.497 1.00 1.00 C ATOM 793 CG1 VAL A 52 -15.512 1.277 -1.800 1.00 1.00 C ATOM 794 CG2 VAL A 52 -13.313 0.966 -0.660 1.00 1.00 C ATOM 0 H VAL A 52 -15.694 0.540 0.606 1.00 1.00 H new ATOM 0 HA VAL A 52 -15.750 -1.382 -1.300 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.960 -0.075 -2.434 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -15.105 2.123 -2.353 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -16.282 0.789 -2.397 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -15.947 1.630 -0.865 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -12.910 1.815 -1.212 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -13.747 1.315 0.277 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -12.511 0.259 -0.447 1.00 1.00 H new ATOM 804 N LYS A 53 -12.897 -1.648 0.363 1.00 1.00 N ATOM 805 CA LYS A 53 -11.809 -2.584 0.627 1.00 1.00 C ATOM 806 C LYS A 53 -12.343 -3.876 1.231 1.00 1.00 C ATOM 807 O LYS A 53 -11.990 -4.971 0.795 1.00 1.00 O ATOM 808 CB LYS A 53 -10.780 -1.952 1.564 1.00 1.00 C ATOM 809 CG LYS A 53 -11.298 -1.945 3.003 1.00 1.00 C ATOM 810 CD LYS A 53 -10.411 -1.032 3.850 1.00 1.00 C ATOM 811 CE LYS A 53 -10.286 -1.605 5.263 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.529 -0.648 6.119 1.00 1.00 N ATOM 0 H LYS A 53 -12.845 -0.771 0.882 1.00 1.00 H new ATOM 0 HA LYS A 53 -11.325 -2.820 -0.321 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -9.843 -2.506 1.511 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.566 -0.932 1.244 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -12.330 -1.596 3.029 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.293 -2.956 3.409 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -9.425 -0.942 3.395 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -10.837 -0.029 3.890 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -11.275 -1.783 5.684 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -9.774 -2.567 5.233 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -9.862 -0.722 7.101 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -8.515 -0.874 6.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -9.681 0.321 5.774 1.00 1.00 H new ATOM 826 N ASN A 54 -13.209 -3.739 2.225 1.00 1.00 N ATOM 827 CA ASN A 54 -13.793 -4.906 2.860 1.00 1.00 C ATOM 828 C ASN A 54 -14.394 -5.800 1.784 1.00 1.00 C ATOM 829 O ASN A 54 -14.142 -7.003 1.738 1.00 1.00 O ATOM 830 CB ASN A 54 -14.877 -4.488 3.856 1.00 1.00 C ATOM 831 CG ASN A 54 -14.254 -4.215 5.220 1.00 1.00 C ATOM 832 OD1 ASN A 54 -13.142 -3.535 5.296 1.00 1.00 O flip ATOM 833 ND2 ASN A 54 -14.795 -4.629 6.246 1.00 1.00 N flip ATOM 0 H ASN A 54 -13.518 -2.844 2.603 1.00 1.00 H new ATOM 0 HA ASN A 54 -13.019 -5.447 3.405 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -15.389 -3.596 3.496 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -15.627 -5.274 3.940 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -15.664 -5.160 6.186 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -14.374 -4.441 7.156 1.00 1.00 H new ATOM 840 N ASP A 55 -15.199 -5.188 0.924 1.00 1.00 N ATOM 841 CA ASP A 55 -15.855 -5.915 -0.157 1.00 1.00 C ATOM 842 C ASP A 55 -14.833 -6.452 -1.156 1.00 1.00 C ATOM 843 O ASP A 55 -14.927 -7.598 -1.597 1.00 1.00 O ATOM 844 CB ASP A 55 -16.840 -4.996 -0.880 1.00 1.00 C ATOM 845 CG ASP A 55 -17.622 -4.168 0.134 1.00 1.00 C ATOM 846 OD1 ASP A 55 -17.871 -4.675 1.216 1.00 1.00 O ATOM 847 OD2 ASP A 55 -17.957 -3.040 -0.184 1.00 1.00 O ATOM 0 H ASP A 55 -15.413 -4.191 0.954 1.00 1.00 H new ATOM 0 HA ASP A 55 -16.391 -6.758 0.279 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -16.302 -4.337 -1.562 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -17.526 -5.589 -1.484 1.00 1.00 H new ATOM 852 N HIS A 56 -13.860 -5.620 -1.515 1.00 1.00 N ATOM 853 CA HIS A 56 -12.833 -6.030 -2.468 1.00 1.00 C ATOM 854 C HIS A 56 -11.859 -7.014 -1.826 1.00 1.00 C ATOM 855 O HIS A 56 -10.702 -7.113 -2.237 1.00 1.00 O ATOM 856 CB HIS A 56 -12.066 -4.806 -2.971 1.00 1.00 C ATOM 857 CG HIS A 56 -12.892 -4.076 -3.995 1.00 1.00 C ATOM 858 ND1 HIS A 56 -13.724 -3.022 -3.656 1.00 1.00 N ATOM 859 CD2 HIS A 56 -13.014 -4.229 -5.354 1.00 1.00 C ATOM 860 CE1 HIS A 56 -14.306 -2.585 -4.788 1.00 1.00 C ATOM 861 NE2 HIS A 56 -13.908 -3.286 -5.853 1.00 1.00 N ATOM 0 H HIS A 56 -13.761 -4.667 -1.165 1.00 1.00 H new ATOM 0 HA HIS A 56 -13.325 -6.522 -3.307 1.00 1.00 H new ATOM 0 HB2 HIS A 56 -11.833 -4.143 -2.138 1.00 1.00 H new ATOM 0 HB3 HIS A 56 -11.116 -5.114 -3.408 1.00 1.00 H new ATOM 0 HD1 HIS A 56 -13.869 -2.646 -2.719 1.00 1.00 H new ATOM 0 HD2 HIS A 56 -12.495 -4.969 -5.946 1.00 1.00 H new ATOM 0 HE1 HIS A 56 -15.010 -1.767 -4.830 1.00 1.00 H new ATOM 869 N ASP A 57 -12.331 -7.740 -0.818 1.00 1.00 N ATOM 870 CA ASP A 57 -11.488 -8.714 -0.133 1.00 1.00 C ATOM 871 C ASP A 57 -11.290 -9.952 -1.001 1.00 1.00 C ATOM 872 O ASP A 57 -10.565 -10.874 -0.631 1.00 1.00 O ATOM 873 CB ASP A 57 -12.131 -9.117 1.195 1.00 1.00 C ATOM 874 CG ASP A 57 -11.738 -8.128 2.287 1.00 1.00 C ATOM 875 OD1 ASP A 57 -11.488 -6.980 1.957 1.00 1.00 O ATOM 876 OD2 ASP A 57 -11.695 -8.532 3.436 1.00 1.00 O ATOM 0 H ASP A 57 -13.284 -7.674 -0.460 1.00 1.00 H new ATOM 0 HA ASP A 57 -10.517 -8.258 0.058 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -13.216 -9.143 1.090 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -11.813 -10.122 1.472 1.00 1.00 H new ATOM 881 N PHE A 58 -11.942 -9.963 -2.160 1.00 1.00 N ATOM 882 CA PHE A 58 -11.834 -11.092 -3.077 1.00 1.00 C ATOM 883 C PHE A 58 -10.388 -11.564 -3.181 1.00 1.00 C ATOM 884 O PHE A 58 -10.124 -12.708 -3.549 1.00 1.00 O ATOM 885 CB PHE A 58 -12.339 -10.686 -4.463 1.00 1.00 C ATOM 886 CG PHE A 58 -11.269 -9.899 -5.180 1.00 1.00 C ATOM 887 CD1 PHE A 58 -11.127 -8.527 -4.932 1.00 1.00 C ATOM 888 CD2 PHE A 58 -10.423 -10.537 -6.094 1.00 1.00 C ATOM 889 CE1 PHE A 58 -10.135 -7.797 -5.597 1.00 1.00 C ATOM 890 CE2 PHE A 58 -9.432 -9.805 -6.759 1.00 1.00 C ATOM 891 CZ PHE A 58 -9.287 -8.436 -6.511 1.00 1.00 C ATOM 0 H PHE A 58 -12.547 -9.208 -2.485 1.00 1.00 H new ATOM 0 HA PHE A 58 -12.443 -11.909 -2.690 1.00 1.00 H new ATOM 0 HB2 PHE A 58 -12.601 -11.573 -5.040 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -13.245 -10.087 -4.370 1.00 1.00 H new ATOM 0 HD1 PHE A 58 -11.782 -8.034 -4.229 1.00 1.00 H new ATOM 0 HD2 PHE A 58 -10.535 -11.594 -6.286 1.00 1.00 H new ATOM 0 HE1 PHE A 58 -10.023 -6.740 -5.405 1.00 1.00 H new ATOM 0 HE2 PHE A 58 -8.779 -10.298 -7.464 1.00 1.00 H new ATOM 0 HZ PHE A 58 -8.522 -7.872 -7.024 1.00 1.00 H new ATOM 901 N LEU A 59 -9.455 -10.674 -2.857 1.00 1.00 N ATOM 902 CA LEU A 59 -8.039 -11.015 -2.921 1.00 1.00 C ATOM 903 C LEU A 59 -7.554 -11.547 -1.576 1.00 1.00 C ATOM 904 O LEU A 59 -8.345 -12.048 -0.776 1.00 1.00 O ATOM 905 CB LEU A 59 -7.224 -9.778 -3.310 1.00 1.00 C ATOM 906 CG LEU A 59 -6.011 -10.195 -4.147 1.00 1.00 C ATOM 907 CD1 LEU A 59 -6.404 -10.263 -5.624 1.00 1.00 C ATOM 908 CD2 LEU A 59 -4.893 -9.164 -3.969 1.00 1.00 C ATOM 0 H LEU A 59 -9.651 -9.721 -2.551 1.00 1.00 H new ATOM 0 HA LEU A 59 -7.903 -11.792 -3.674 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -7.846 -9.085 -3.876 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -6.895 -9.252 -2.414 1.00 1.00 H new ATOM 0 HG LEU A 59 -5.665 -11.175 -3.818 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -5.539 -10.560 -6.217 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -7.202 -10.994 -5.755 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -6.751 -9.284 -5.954 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -4.028 -9.459 -4.564 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -5.244 -8.186 -4.299 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -4.610 -9.112 -2.918 1.00 1.00 H new ATOM 920 N GLU A 60 -6.253 -11.439 -1.335 1.00 1.00 N ATOM 921 CA GLU A 60 -5.674 -11.916 -0.085 1.00 1.00 C ATOM 922 C GLU A 60 -5.961 -10.937 1.050 1.00 1.00 C ATOM 923 O GLU A 60 -6.128 -9.738 0.822 1.00 1.00 O ATOM 924 CB GLU A 60 -4.162 -12.087 -0.242 1.00 1.00 C ATOM 925 CG GLU A 60 -3.846 -13.538 -0.613 1.00 1.00 C ATOM 926 CD GLU A 60 -2.407 -13.647 -1.105 1.00 1.00 C ATOM 927 OE1 GLU A 60 -1.575 -12.905 -0.610 1.00 1.00 O ATOM 928 OE2 GLU A 60 -2.159 -14.470 -1.970 1.00 1.00 O ATOM 0 H GLU A 60 -5.582 -11.028 -1.984 1.00 1.00 H new ATOM 0 HA GLU A 60 -6.126 -12.878 0.158 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -3.788 -11.414 -1.013 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -3.657 -11.820 0.686 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -3.993 -14.184 0.252 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -4.531 -13.882 -1.388 1.00 1.00 H new ATOM 935 N LYS A 61 -6.014 -11.456 2.273 1.00 1.00 N ATOM 936 CA LYS A 61 -6.279 -10.620 3.438 1.00 1.00 C ATOM 937 C LYS A 61 -5.089 -9.706 3.719 1.00 1.00 C ATOM 938 O LYS A 61 -5.258 -8.511 3.969 1.00 1.00 O ATOM 939 CB LYS A 61 -6.549 -11.500 4.664 1.00 1.00 C ATOM 940 CG LYS A 61 -7.886 -11.116 5.314 1.00 1.00 C ATOM 941 CD LYS A 61 -7.775 -9.725 5.946 1.00 1.00 C ATOM 942 CE LYS A 61 -9.105 -8.985 5.790 1.00 1.00 C ATOM 943 NZ LYS A 61 -9.280 -8.572 4.370 1.00 1.00 N ATOM 0 H LYS A 61 -5.878 -12.445 2.482 1.00 1.00 H new ATOM 0 HA LYS A 61 -7.156 -10.007 3.231 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -6.569 -12.549 4.369 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -5.740 -11.387 5.386 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -8.680 -11.124 4.567 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -8.156 -11.850 6.073 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -7.518 -9.813 7.001 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -6.974 -9.160 5.469 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -9.930 -9.628 6.097 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -9.125 -8.110 6.439 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -9.413 -7.542 4.322 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -8.435 -8.838 3.825 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -10.114 -9.048 3.970 1.00 1.00 H new ATOM 957 N ASP A 62 -3.889 -10.272 3.671 1.00 1.00 N ATOM 958 CA ASP A 62 -2.680 -9.496 3.919 1.00 1.00 C ATOM 959 C ASP A 62 -2.511 -8.423 2.849 1.00 1.00 C ATOM 960 O ASP A 62 -1.633 -7.566 2.948 1.00 1.00 O ATOM 961 CB ASP A 62 -1.458 -10.417 3.921 1.00 1.00 C ATOM 962 CG ASP A 62 -0.179 -9.589 3.940 1.00 1.00 C ATOM 963 OD1 ASP A 62 -0.174 -8.556 4.589 1.00 1.00 O ATOM 964 OD2 ASP A 62 0.779 -10.000 3.307 1.00 1.00 O ATOM 0 H ASP A 62 -3.727 -11.258 3.464 1.00 1.00 H new ATOM 0 HA ASP A 62 -2.770 -9.015 4.893 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -1.489 -11.073 4.791 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -1.473 -11.057 3.039 1.00 1.00 H new ATOM 969 N LEU A 63 -3.358 -8.482 1.827 1.00 1.00 N ATOM 970 CA LEU A 63 -3.299 -7.512 0.740 1.00 1.00 C ATOM 971 C LEU A 63 -4.351 -6.426 0.936 1.00 1.00 C ATOM 972 O LEU A 63 -4.285 -5.365 0.314 1.00 1.00 O ATOM 973 CB LEU A 63 -3.531 -8.219 -0.600 1.00 1.00 C ATOM 974 CG LEU A 63 -2.195 -8.438 -1.319 1.00 1.00 C ATOM 975 CD1 LEU A 63 -1.606 -7.096 -1.761 1.00 1.00 C ATOM 976 CD2 LEU A 63 -1.213 -9.136 -0.373 1.00 1.00 C ATOM 0 H LEU A 63 -4.089 -9.186 1.729 1.00 1.00 H new ATOM 0 HA LEU A 63 -2.312 -7.049 0.740 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -4.025 -9.177 -0.434 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.195 -7.622 -1.225 1.00 1.00 H new ATOM 0 HG LEU A 63 -2.365 -9.059 -2.198 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -0.657 -7.265 -2.270 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -2.299 -6.600 -2.440 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.441 -6.465 -0.887 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -0.263 -9.292 -0.885 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -1.053 -8.515 0.508 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.623 -10.099 -0.069 1.00 1.00 H new ATOM 988 N VAL A 64 -5.319 -6.696 1.807 1.00 1.00 N ATOM 989 CA VAL A 64 -6.379 -5.732 2.079 1.00 1.00 C ATOM 990 C VAL A 64 -5.864 -4.631 3.001 1.00 1.00 C ATOM 991 O VAL A 64 -6.173 -3.456 2.813 1.00 1.00 O ATOM 992 CB VAL A 64 -7.574 -6.433 2.725 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.556 -5.386 3.254 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.276 -7.304 1.682 1.00 1.00 C ATOM 0 H VAL A 64 -5.391 -7.567 2.333 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.696 -5.286 1.136 1.00 1.00 H new ATOM 0 HB VAL A 64 -7.227 -7.056 3.549 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -9.408 -5.886 3.715 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -8.058 -4.761 3.995 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.903 -4.763 2.429 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -9.129 -7.805 2.141 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.622 -6.679 0.859 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.578 -8.050 1.302 1.00 1.00 H new ATOM 1004 N GLU A 65 -5.067 -5.020 3.990 1.00 1.00 N ATOM 1005 CA GLU A 65 -4.504 -4.052 4.924 1.00 1.00 C ATOM 1006 C GLU A 65 -3.788 -2.933 4.166 1.00 1.00 C ATOM 1007 O GLU A 65 -4.201 -1.775 4.233 1.00 1.00 O ATOM 1008 CB GLU A 65 -3.528 -4.740 5.881 1.00 1.00 C ATOM 1009 CG GLU A 65 -4.213 -4.962 7.232 1.00 1.00 C ATOM 1010 CD GLU A 65 -4.332 -3.637 7.978 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -3.899 -2.634 7.435 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -4.852 -3.645 9.081 1.00 1.00 O ATOM 0 H GLU A 65 -4.798 -5.988 4.165 1.00 1.00 H new ATOM 0 HA GLU A 65 -5.320 -3.619 5.503 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -3.204 -5.693 5.464 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.635 -4.128 6.010 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -5.202 -5.394 7.081 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -3.641 -5.674 7.827 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.734 -3.245 3.447 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.973 -2.226 2.669 1.00 1.00 C ATOM 1021 C PRO A 66 -2.881 -1.419 1.743 1.00 1.00 C ATOM 1022 O PRO A 66 -2.619 -0.250 1.464 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.949 -3.036 1.860 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.337 -4.471 2.007 1.00 1.00 C ATOM 1025 CD PRO A 66 -2.148 -4.586 3.293 1.00 1.00 C ATOM 0 HA PRO A 66 -1.503 -1.493 3.325 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.957 -2.737 0.812 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.062 -2.867 2.232 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.924 -4.801 1.150 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.453 -5.107 2.051 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.917 -5.354 3.216 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -1.519 -4.850 4.143 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.953 -2.052 1.271 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.892 -1.378 0.383 1.00 1.00 C ATOM 1035 C LEU A 67 -5.410 -0.102 1.036 1.00 1.00 C ATOM 1036 O LEU A 67 -5.439 0.960 0.416 1.00 1.00 O ATOM 1037 CB LEU A 67 -6.071 -2.304 0.063 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.766 -1.841 -1.218 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.289 -2.694 -2.393 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.279 -2.003 -1.057 1.00 1.00 C ATOM 0 H LEU A 67 -4.190 -3.020 1.487 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.374 -1.122 -0.541 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.718 -3.329 -0.055 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.779 -2.304 0.891 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.526 -0.795 -1.406 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -6.784 -2.364 -3.306 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.210 -2.587 -2.506 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.532 -3.740 -2.206 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.779 -1.674 -1.968 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.515 -3.051 -0.872 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.622 -1.400 -0.217 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.808 -0.218 2.300 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.320 0.930 3.040 1.00 1.00 C ATOM 1054 C CYS A 68 -5.213 1.950 3.279 1.00 1.00 C ATOM 1055 O CYS A 68 -5.482 3.120 3.549 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.894 0.474 4.383 1.00 1.00 C ATOM 1057 SG CYS A 68 -6.191 1.480 5.712 1.00 1.00 S ATOM 0 H CYS A 68 -5.786 -1.089 2.830 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.108 1.397 2.448 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.980 0.568 4.377 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.666 -0.579 4.550 1.00 1.00 H new ATOM 0 HG CYS A 68 -5.927 2.671 5.262 1.00 1.00 H new ATOM 1063 N ARG A 69 -3.965 1.501 3.175 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.829 2.388 3.378 1.00 1.00 C ATOM 1065 C ARG A 69 -2.644 3.293 2.165 1.00 1.00 C ATOM 1066 O ARG A 69 -2.491 4.506 2.300 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.557 1.570 3.609 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.546 2.409 4.394 1.00 1.00 C ATOM 1069 CD ARG A 69 0.874 2.009 3.989 1.00 1.00 C ATOM 1070 NE ARG A 69 1.127 2.378 2.602 1.00 1.00 N ATOM 1071 CZ ARG A 69 1.366 3.640 2.258 1.00 1.00 C ATOM 1072 NH1 ARG A 69 1.378 4.573 3.171 1.00 1.00 N ATOM 1073 NH2 ARG A 69 1.589 3.946 1.010 1.00 1.00 N ATOM 0 H ARG A 69 -3.718 0.536 2.953 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.022 3.004 4.256 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.793 0.658 4.158 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -1.129 1.266 2.654 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.707 3.469 4.197 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -0.686 2.259 5.464 1.00 1.00 H new ATOM 0 HD2 ARG A 69 1.597 2.499 4.641 1.00 1.00 H new ATOM 0 HD3 ARG A 69 1.007 0.935 4.117 1.00 1.00 H new ATOM 0 HE ARG A 69 1.121 1.655 1.882 1.00 1.00 H new ATOM 0 HH11 ARG A 69 1.204 4.334 4.147 1.00 1.00 H new ATOM 0 HH12 ARG A 69 1.561 5.541 2.908 1.00 1.00 H new ATOM 0 HH21 ARG A 69 1.580 3.217 0.297 1.00 1.00 H new ATOM 0 HH22 ARG A 69 1.772 4.914 0.747 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.665 2.692 0.979 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.505 3.457 -0.251 1.00 1.00 C ATOM 1089 C ARG A 70 -3.738 4.317 -0.500 1.00 1.00 C ATOM 1090 O ARG A 70 -3.623 5.504 -0.807 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.294 2.511 -1.440 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.211 1.470 -1.120 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.015 2.130 -0.428 1.00 1.00 C ATOM 1094 NE ARG A 70 1.130 1.227 -0.439 1.00 1.00 N ATOM 1095 CZ ARG A 70 1.150 0.135 0.318 1.00 1.00 C ATOM 1096 NH1 ARG A 70 0.138 -0.140 1.095 1.00 1.00 N ATOM 1097 NH2 ARG A 70 2.183 -0.663 0.287 1.00 1.00 N ATOM 0 H ARG A 70 -2.790 1.689 0.845 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.632 4.102 -0.145 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.230 2.007 -1.681 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.005 3.085 -2.321 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.625 0.692 -0.478 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -0.883 0.984 -2.039 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.241 3.060 -0.935 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.275 2.388 0.599 1.00 1.00 H new ATOM 0 HE ARG A 70 1.929 1.437 -1.038 1.00 1.00 H new ATOM 0 HH11 ARG A 70 -0.669 0.483 1.121 1.00 1.00 H new ATOM 0 HH12 ARG A 70 0.154 -0.978 1.676 1.00 1.00 H new ATOM 0 HH21 ARG A 70 2.975 -0.448 -0.319 1.00 1.00 H new ATOM 0 HH22 ARG A 70 2.198 -1.501 0.868 1.00 1.00 H new ATOM 1111 N LEU A 71 -4.916 3.716 -0.365 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.155 4.452 -0.580 1.00 1.00 C ATOM 1113 C LEU A 71 -6.201 5.686 0.317 1.00 1.00 C ATOM 1114 O LEU A 71 -6.451 6.794 -0.152 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.363 3.555 -0.289 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.463 2.455 -1.353 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.276 1.283 -0.801 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -8.165 2.990 -2.607 1.00 1.00 C ATOM 0 H LEU A 71 -5.038 2.736 -0.111 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.191 4.770 -1.622 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.266 3.108 0.701 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.276 4.150 -0.282 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.456 2.128 -1.611 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.347 0.501 -1.557 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -7.784 0.885 0.087 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.277 1.626 -0.539 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -8.229 2.199 -3.354 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -9.169 3.325 -2.347 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.597 3.827 -3.013 1.00 1.00 H new ATOM 1130 N ASN A 72 -5.950 5.487 1.606 1.00 1.00 N ATOM 1131 CA ASN A 72 -5.961 6.596 2.552 1.00 1.00 C ATOM 1132 C ASN A 72 -5.006 7.694 2.093 1.00 1.00 C ATOM 1133 O ASN A 72 -5.286 8.882 2.256 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.550 6.103 3.941 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.610 7.254 4.940 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -5.994 8.435 4.540 1.00 1.00 O flip ATOM 1137 ND2 ASN A 72 -5.296 7.072 6.117 1.00 1.00 N flip ATOM 0 H ASN A 72 -5.738 4.578 2.017 1.00 1.00 H new ATOM 0 HA ASN A 72 -6.971 7.003 2.599 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.211 5.298 4.261 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.541 5.692 3.907 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -4.996 6.148 6.428 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -5.336 7.845 6.781 1.00 1.00 H new ATOM 1144 N THR A 73 -3.880 7.288 1.515 1.00 1.00 N ATOM 1145 CA THR A 73 -2.892 8.246 1.032 1.00 1.00 C ATOM 1146 C THR A 73 -3.443 9.023 -0.158 1.00 1.00 C ATOM 1147 O THR A 73 -3.652 10.234 -0.079 1.00 1.00 O ATOM 1148 CB THR A 73 -1.613 7.514 0.620 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.194 6.662 1.678 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.514 8.533 0.318 1.00 1.00 C ATOM 0 H THR A 73 -3.630 6.310 1.370 1.00 1.00 H new ATOM 0 HA THR A 73 -2.665 8.946 1.836 1.00 1.00 H new ATOM 0 HB THR A 73 -1.807 6.918 -0.272 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.568 5.766 1.544 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.396 8.010 0.025 1.00 1.00 H new ATOM 0 HG22 THR A 73 -0.836 9.185 -0.494 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.318 9.131 1.208 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.681 8.319 -1.260 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.211 8.953 -2.460 1.00 1.00 C ATOM 1160 C LEU A 74 -5.346 9.908 -2.103 1.00 1.00 C ATOM 1161 O LEU A 74 -5.350 11.066 -2.516 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.727 7.886 -3.429 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.967 7.973 -4.756 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -2.490 7.647 -4.529 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -4.556 6.967 -5.746 1.00 1.00 C ATOM 0 H LEU A 74 -3.516 7.316 -1.346 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.409 9.519 -2.935 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -4.601 6.895 -2.993 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.794 8.025 -3.602 1.00 1.00 H new ATOM 0 HG LEU A 74 -4.059 8.983 -5.156 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -1.954 7.710 -5.476 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -2.064 8.360 -3.823 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -2.398 6.638 -4.126 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -4.016 7.028 -6.691 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.464 5.960 -5.339 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -5.608 7.195 -5.914 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.310 9.411 -1.331 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.446 10.229 -0.922 1.00 1.00 C ATOM 1179 C ASN A 75 -6.973 11.589 -0.425 1.00 1.00 C ATOM 1180 O ASN A 75 -7.387 12.628 -0.941 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.229 9.522 0.186 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.786 8.204 -0.329 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.304 7.672 -1.330 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.781 7.636 0.298 1.00 1.00 N ATOM 0 H ASN A 75 -6.327 8.454 -0.979 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.094 10.375 -1.786 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.580 9.342 1.043 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.043 10.160 0.531 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -10.159 6.752 -0.041 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -10.180 8.077 1.127 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.102 11.576 0.578 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.578 12.817 1.138 1.00 1.00 C ATOM 1193 C LYS A 76 -4.908 13.650 0.051 1.00 1.00 C ATOM 1194 O LYS A 76 -4.773 14.866 0.183 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.568 12.506 2.243 1.00 1.00 C ATOM 1196 CG LYS A 76 -4.003 13.814 2.801 1.00 1.00 C ATOM 1197 CD LYS A 76 -3.468 13.578 4.214 1.00 1.00 C ATOM 1198 CE LYS A 76 -2.460 12.427 4.194 1.00 1.00 C ATOM 1199 NZ LYS A 76 -3.185 11.130 4.319 1.00 1.00 N ATOM 0 H LYS A 76 -5.746 10.727 1.017 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.408 13.386 1.557 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -5.048 11.936 3.039 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -3.761 11.888 1.849 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -3.205 14.182 2.156 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -4.779 14.580 2.818 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -2.993 14.484 4.590 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -4.290 13.344 4.891 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -1.887 12.448 3.267 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -1.748 12.538 5.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -2.668 10.505 4.970 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -4.141 11.301 4.690 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -3.252 10.678 3.385 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.489 12.986 -1.022 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.833 13.676 -2.127 1.00 1.00 C ATOM 1215 C CYS A 77 -4.851 14.065 -3.193 1.00 1.00 C ATOM 1216 O CYS A 77 -4.640 15.012 -3.949 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.762 12.774 -2.744 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.545 12.330 -1.480 1.00 1.00 S ATOM 0 H CYS A 77 -4.591 11.979 -1.149 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.365 14.581 -1.740 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -3.221 11.874 -3.154 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.272 13.287 -3.571 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.052 11.435 -0.685 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.957 13.328 -3.249 1.00 1.00 N ATOM 1225 CA ALA A 78 -7.001 13.606 -4.227 1.00 1.00 C ATOM 1226 C ALA A 78 -7.803 14.837 -3.819 1.00 1.00 C ATOM 1227 O ALA A 78 -8.845 15.133 -4.403 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.937 12.402 -4.347 1.00 1.00 C ATOM 0 H ALA A 78 -6.152 12.539 -2.632 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.529 13.797 -5.191 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.715 12.617 -5.080 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.368 11.529 -4.668 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.396 12.200 -3.379 1.00 1.00 H new ATOM 1234 N SER A 79 -7.309 15.552 -2.813 1.00 1.00 N ATOM 1235 CA SER A 79 -7.987 16.750 -2.334 1.00 1.00 C ATOM 1236 C SER A 79 -7.350 18.002 -2.931 1.00 1.00 C ATOM 1237 O SER A 79 -7.756 19.122 -2.624 1.00 1.00 O ATOM 1238 CB SER A 79 -7.915 16.816 -0.809 1.00 1.00 C ATOM 1239 OG SER A 79 -8.762 17.859 -0.343 1.00 1.00 O ATOM 0 H SER A 79 -6.447 15.324 -2.317 1.00 1.00 H new ATOM 0 HA SER A 79 -9.030 16.703 -2.646 1.00 1.00 H new ATOM 0 HB2 SER A 79 -8.221 15.863 -0.377 1.00 1.00 H new ATOM 0 HB3 SER A 79 -6.888 16.995 -0.489 1.00 1.00 H new ATOM 0 HG SER A 79 -8.655 18.647 -0.915 1.00 1.00 H new ATOM 1245 N MET A 80 -6.352 17.803 -3.784 1.00 1.00 N ATOM 1246 CA MET A 80 -5.666 18.922 -4.418 1.00 1.00 C ATOM 1247 C MET A 80 -5.395 20.028 -3.403 1.00 1.00 C ATOM 1248 O MET A 80 -4.447 19.949 -2.621 1.00 1.00 O ATOM 1249 CB MET A 80 -6.518 19.476 -5.563 1.00 1.00 C ATOM 1250 CG MET A 80 -6.352 18.589 -6.798 1.00 1.00 C ATOM 1251 SD MET A 80 -7.481 19.150 -8.098 1.00 1.00 S ATOM 1252 CE MET A 80 -7.116 17.843 -9.294 1.00 1.00 C ATOM 0 H MET A 80 -6.002 16.883 -4.051 1.00 1.00 H new ATOM 0 HA MET A 80 -4.715 18.565 -4.813 1.00 1.00 H new ATOM 0 HB2 MET A 80 -7.566 19.512 -5.266 1.00 1.00 H new ATOM 0 HB3 MET A 80 -6.217 20.498 -5.793 1.00 1.00 H new ATOM 0 HG2 MET A 80 -5.322 18.630 -7.153 1.00 1.00 H new ATOM 0 HG3 MET A 80 -6.560 17.550 -6.544 1.00 1.00 H new ATOM 0 HE1 MET A 80 -7.714 17.994 -10.192 1.00 1.00 H new ATOM 0 HE2 MET A 80 -6.058 17.872 -9.554 1.00 1.00 H new ATOM 0 HE3 MET A 80 -7.356 16.873 -8.858 1.00 1.00 H new ATOM 1262 N LYS A 81 -6.233 21.060 -3.421 1.00 1.00 N ATOM 1263 CA LYS A 81 -6.074 22.176 -2.498 1.00 1.00 C ATOM 1264 C LYS A 81 -4.662 22.749 -2.588 1.00 1.00 C ATOM 1265 O LYS A 81 -4.299 23.217 -3.654 1.00 1.00 O ATOM 1266 CB LYS A 81 -6.351 21.716 -1.067 1.00 1.00 C ATOM 1267 CG LYS A 81 -6.584 22.935 -0.173 1.00 1.00 C ATOM 1268 CD LYS A 81 -6.802 22.478 1.270 1.00 1.00 C ATOM 1269 CE LYS A 81 -5.485 22.582 2.043 1.00 1.00 C ATOM 1270 NZ LYS A 81 -5.041 24.004 2.081 1.00 1.00 N ATOM 1271 OXT LYS A 81 -3.965 22.711 -1.587 1.00 1.00 O ATOM 0 H LYS A 81 -7.023 21.146 -4.060 1.00 1.00 H new ATOM 0 HA LYS A 81 -6.787 22.953 -2.772 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -7.225 21.065 -1.046 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -5.510 21.133 -0.692 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -5.728 23.607 -0.227 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -7.451 23.495 -0.523 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.565 23.094 1.746 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.165 21.450 1.286 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -5.615 22.204 3.057 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -4.723 21.965 1.568 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -4.546 24.189 2.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -4.397 24.188 1.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -5.869 24.628 2.008 1.00 1.00 H new TER 1285 LYS A 81