USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 803 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 20 SER OG : rot 66:sc= 0.484 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.445 USER MOD Set 2.1: A 41 LYS NZ :NH3+ -166:sc= 0.715 (180deg=0.496) USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.3) USER MOD Set 3.2: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 0 MET N :NH3+ 179:sc= 0.704 (180deg=-0.0646) USER MOD Set 4.2: A 2 GLN : amide:sc= 0.539 K(o=1.2,f=-7.2!) USER MOD Set 4.3: A 86 THR OG1 : rot -38:sc= 0 USER MOD Single : A 0 MET CE :methyl -177:sc= 0 (180deg=-0.0174) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.057 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.014) USER MOD Single : A 17 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.5) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= 1.05 (180deg=0.574) USER MOD Single : A 21 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.3) USER MOD Single : A 24 ASN : amide:sc= -0.285 K(o=-0.28,f=-1.4) USER MOD Single : A 26 TYR OH : rot 7:sc= 0.651 USER MOD Single : A 31 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-0.36) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.609 K(o=-0.61,f=-0.037) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 51 HIS : no HE2:sc= 0.0033 X(o=0.0033,f=-0.038) USER MOD Single : A 52 SER OG : rot 180:sc= 0.667 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -131:sc= 1.46 USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0256) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 150:sc= 0 USER MOD Single : A 66 TYR OH : rot 172:sc= -1.12 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 78:sc= 0.76 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00651 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.373 K(o=0.37,f=-8.2!) USER MOD Single : A 84 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-9.6!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.18) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -6.307 -20.328 -5.749 1.00 0.00 N ATOM 2 CA MET A 0 -6.039 -21.736 -5.409 1.00 0.00 C ATOM 3 C MET A 0 -4.868 -21.850 -4.430 1.00 0.00 C ATOM 4 O MET A 0 -3.718 -21.691 -4.831 1.00 0.00 O ATOM 5 CB MET A 0 -5.777 -22.569 -6.671 1.00 0.00 C ATOM 6 CG MET A 0 -6.983 -22.576 -7.619 1.00 0.00 C ATOM 7 SD MET A 0 -6.914 -23.831 -8.926 1.00 0.00 S ATOM 8 CE MET A 0 -5.454 -23.270 -9.840 1.00 0.00 C ATOM 0 H1 MET A 0 -7.094 -20.278 -6.427 1.00 0.00 H new ATOM 0 H2 MET A 0 -6.559 -19.805 -4.887 1.00 0.00 H new ATOM 0 H3 MET A 0 -5.457 -19.906 -6.174 1.00 0.00 H new ATOM 0 HA MET A 0 -6.928 -22.135 -4.921 1.00 0.00 H new ATOM 0 HB2 MET A 0 -4.908 -22.170 -7.194 1.00 0.00 H new ATOM 0 HB3 MET A 0 -5.535 -23.593 -6.385 1.00 0.00 H new ATOM 0 HG2 MET A 0 -7.888 -22.732 -7.032 1.00 0.00 H new ATOM 0 HG3 MET A 0 -7.069 -21.593 -8.082 1.00 0.00 H new ATOM 0 HE1 MET A 0 -5.304 -23.907 -10.712 1.00 0.00 H new ATOM 0 HE2 MET A 0 -5.601 -22.240 -10.164 1.00 0.00 H new ATOM 0 HE3 MET A 0 -4.577 -23.326 -9.195 1.00 0.00 H new ATOM 20 N ILE A 1 -5.167 -22.108 -3.148 1.00 0.00 N ATOM 21 CA ILE A 1 -4.196 -22.245 -2.059 1.00 0.00 C ATOM 22 C ILE A 1 -3.404 -20.941 -1.819 1.00 0.00 C ATOM 23 O ILE A 1 -2.335 -20.950 -1.210 1.00 0.00 O ATOM 24 CB ILE A 1 -3.314 -23.504 -2.262 1.00 0.00 C ATOM 25 CG1 ILE A 1 -4.104 -24.752 -2.712 1.00 0.00 C ATOM 26 CG2 ILE A 1 -2.501 -23.868 -1.007 1.00 0.00 C ATOM 27 CD1 ILE A 1 -5.130 -25.246 -1.686 1.00 0.00 C ATOM 0 H ILE A 1 -6.129 -22.231 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.739 -22.408 -1.128 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.636 -23.218 -3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -4.619 -24.526 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -3.401 -25.557 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -1.902 -24.757 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.844 -23.039 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.181 -24.067 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -5.642 -26.125 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.620 -25.506 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -5.858 -24.459 -1.491 1.00 0.00 H new ATOM 39 N GLN A 2 -3.945 -19.803 -2.272 1.00 0.00 N ATOM 40 CA GLN A 2 -3.313 -18.490 -2.192 1.00 0.00 C ATOM 41 C GLN A 2 -3.860 -17.731 -0.987 1.00 0.00 C ATOM 42 O GLN A 2 -5.074 -17.646 -0.806 1.00 0.00 O ATOM 43 CB GLN A 2 -3.600 -17.712 -3.479 1.00 0.00 C ATOM 44 CG GLN A 2 -2.778 -18.278 -4.641 1.00 0.00 C ATOM 45 CD GLN A 2 -3.336 -17.833 -5.986 1.00 0.00 C ATOM 46 OE1 GLN A 2 -4.280 -18.432 -6.497 1.00 0.00 O ATOM 47 NE2 GLN A 2 -2.756 -16.784 -6.565 1.00 0.00 N ATOM 0 H GLN A 2 -4.862 -19.775 -2.717 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.236 -18.607 -2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.662 -17.768 -3.716 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.361 -16.658 -3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.742 -17.951 -4.549 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.774 -19.367 -4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.975 -16.316 -6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -3.093 -16.449 -7.467 1.00 0.00 H new ATOM 56 N ARG A 3 -2.961 -17.170 -0.173 1.00 0.00 N ATOM 57 CA ARG A 3 -3.329 -16.386 0.996 1.00 0.00 C ATOM 58 C ARG A 3 -3.811 -15.001 0.559 1.00 0.00 C ATOM 59 O ARG A 3 -3.298 -14.431 -0.404 1.00 0.00 O ATOM 60 CB ARG A 3 -2.137 -16.271 1.954 1.00 0.00 C ATOM 61 CG ARG A 3 -1.973 -17.473 2.891 1.00 0.00 C ATOM 62 CD ARG A 3 -1.741 -18.785 2.140 1.00 0.00 C ATOM 63 NE ARG A 3 -1.352 -19.847 3.073 1.00 0.00 N ATOM 64 CZ ARG A 3 -1.149 -21.132 2.742 1.00 0.00 C ATOM 65 NH1 ARG A 3 -1.342 -21.565 1.487 1.00 0.00 N ATOM 66 NH2 ARG A 3 -0.746 -21.992 3.686 1.00 0.00 N ATOM 0 H ARG A 3 -1.954 -17.251 -0.312 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.141 -16.887 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.225 -16.151 1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.252 -15.368 2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.134 -17.292 3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.864 -17.568 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.649 -19.073 1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.963 -18.649 1.389 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.226 -19.589 4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.648 -20.914 0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.182 -22.545 1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.597 -21.668 4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -0.588 -22.971 3.450 1.00 0.00 H new ATOM 80 N THR A 4 -4.795 -14.462 1.288 1.00 0.00 N ATOM 81 CA THR A 4 -5.316 -13.118 1.072 1.00 0.00 C ATOM 82 C THR A 4 -4.264 -12.073 1.476 1.00 0.00 C ATOM 83 O THR A 4 -3.543 -12.292 2.450 1.00 0.00 O ATOM 84 CB THR A 4 -6.644 -12.932 1.828 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.216 -11.676 1.527 1.00 0.00 O ATOM 86 CG2 THR A 4 -6.499 -13.038 3.347 1.00 0.00 C ATOM 0 H THR A 4 -5.254 -14.957 2.053 1.00 0.00 H new ATOM 0 HA THR A 4 -5.527 -12.975 0.012 1.00 0.00 H new ATOM 0 HB THR A 4 -7.287 -13.745 1.492 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.060 -11.576 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.473 -12.897 3.816 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.110 -14.022 3.608 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.811 -12.270 3.701 1.00 0.00 H new ATOM 94 N PRO A 5 -4.159 -10.935 0.766 1.00 0.00 N ATOM 95 CA PRO A 5 -3.273 -9.853 1.158 1.00 0.00 C ATOM 96 C PRO A 5 -3.778 -9.174 2.432 1.00 0.00 C ATOM 97 O PRO A 5 -4.841 -8.556 2.430 1.00 0.00 O ATOM 98 CB PRO A 5 -3.229 -8.895 -0.036 1.00 0.00 C ATOM 99 CG PRO A 5 -4.565 -9.131 -0.736 1.00 0.00 C ATOM 100 CD PRO A 5 -4.834 -10.616 -0.484 1.00 0.00 C ATOM 0 HA PRO A 5 -2.271 -10.210 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.122 -7.859 0.285 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.388 -9.113 -0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.353 -8.503 -0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.507 -8.907 -1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.904 -10.813 -0.412 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.452 -11.227 -1.302 1.00 0.00 H new ATOM 108 N LYS A 6 -2.998 -9.287 3.514 1.00 0.00 N ATOM 109 CA LYS A 6 -3.204 -8.569 4.757 1.00 0.00 C ATOM 110 C LYS A 6 -2.557 -7.192 4.604 1.00 0.00 C ATOM 111 O LYS A 6 -1.337 -7.094 4.488 1.00 0.00 O ATOM 112 CB LYS A 6 -2.576 -9.361 5.910 1.00 0.00 C ATOM 113 CG LYS A 6 -3.095 -8.851 7.258 1.00 0.00 C ATOM 114 CD LYS A 6 -2.207 -9.312 8.421 1.00 0.00 C ATOM 115 CE LYS A 6 -2.152 -10.840 8.535 1.00 0.00 C ATOM 116 NZ LYS A 6 -1.367 -11.264 9.708 1.00 0.00 N ATOM 0 H LYS A 6 -2.184 -9.902 3.539 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.264 -8.448 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.810 -10.420 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.491 -9.269 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.138 -7.762 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.113 -9.208 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.198 -8.923 8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.585 -8.893 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.164 -11.237 8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.711 -11.258 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.349 -12.303 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.395 -10.904 9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.802 -10.884 10.573 1.00 0.00 H new ATOM 130 N ILE A 7 -3.388 -6.147 4.561 1.00 0.00 N ATOM 131 CA ILE A 7 -3.000 -4.775 4.258 1.00 0.00 C ATOM 132 C ILE A 7 -2.934 -3.994 5.574 1.00 0.00 C ATOM 133 O ILE A 7 -3.913 -4.002 6.319 1.00 0.00 O ATOM 134 CB ILE A 7 -4.055 -4.172 3.310 1.00 0.00 C ATOM 135 CG1 ILE A 7 -4.202 -4.991 2.012 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.694 -2.722 2.958 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.567 -4.791 1.345 1.00 0.00 C ATOM 0 H ILE A 7 -4.387 -6.242 4.744 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.025 -4.732 3.773 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.009 -4.198 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.415 -4.705 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.062 -6.049 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.449 -2.311 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.655 -2.125 3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.721 -2.698 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.619 -5.390 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.356 -5.103 2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.699 -3.738 1.095 1.00 0.00 H new ATOM 149 N GLN A 8 -1.813 -3.316 5.867 1.00 0.00 N ATOM 150 CA GLN A 8 -1.659 -2.499 7.050 1.00 0.00 C ATOM 151 C GLN A 8 -0.930 -1.206 6.669 1.00 0.00 C ATOM 152 O GLN A 8 0.227 -1.241 6.255 1.00 0.00 O ATOM 153 CB GLN A 8 -0.943 -3.304 8.141 1.00 0.00 C ATOM 154 CG GLN A 8 0.286 -4.125 7.715 1.00 0.00 C ATOM 155 CD GLN A 8 -0.039 -5.446 7.018 1.00 0.00 C ATOM 156 OE1 GLN A 8 -1.051 -6.079 7.309 1.00 0.00 O ATOM 157 NE2 GLN A 8 0.833 -5.877 6.105 1.00 0.00 N ATOM 0 H GLN A 8 -0.985 -3.329 5.272 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.627 -2.214 7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.632 -2.611 8.923 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.667 -3.986 8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.898 -3.518 7.047 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.890 -4.335 8.598 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.662 -5.323 5.890 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.670 -6.760 5.622 1.00 0.00 H new ATOM 166 N VAL A 9 -1.626 -0.066 6.779 1.00 0.00 N ATOM 167 CA VAL A 9 -1.136 1.229 6.328 1.00 0.00 C ATOM 168 C VAL A 9 -0.680 2.065 7.520 1.00 0.00 C ATOM 169 O VAL A 9 -1.423 2.200 8.491 1.00 0.00 O ATOM 170 CB VAL A 9 -2.220 1.973 5.533 1.00 0.00 C ATOM 171 CG1 VAL A 9 -1.626 3.267 4.960 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.790 1.109 4.400 1.00 0.00 C ATOM 0 H VAL A 9 -2.558 -0.025 7.191 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.283 1.065 5.670 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.042 2.206 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.391 3.799 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.273 3.898 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.792 3.024 4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.553 1.671 3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.989 0.835 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.233 0.205 4.819 1.00 0.00 H new ATOM 182 N TYR A 10 0.526 2.641 7.426 1.00 0.00 N ATOM 183 CA TYR A 10 1.095 3.498 8.458 1.00 0.00 C ATOM 184 C TYR A 10 1.298 4.921 7.943 1.00 0.00 C ATOM 185 O TYR A 10 1.565 5.140 6.759 1.00 0.00 O ATOM 186 CB TYR A 10 2.430 2.931 8.950 1.00 0.00 C ATOM 187 CG TYR A 10 2.450 1.428 9.126 1.00 0.00 C ATOM 188 CD1 TYR A 10 1.591 0.818 10.058 1.00 0.00 C ATOM 189 CD2 TYR A 10 3.306 0.639 8.338 1.00 0.00 C ATOM 190 CE1 TYR A 10 1.640 -0.573 10.247 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.378 -0.749 8.549 1.00 0.00 C ATOM 192 CZ TYR A 10 2.573 -1.347 9.535 1.00 0.00 C ATOM 193 OH TYR A 10 2.704 -2.675 9.821 1.00 0.00 O ATOM 0 H TYR A 10 1.136 2.519 6.618 1.00 0.00 H new ATOM 0 HA TYR A 10 0.390 3.528 9.289 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.211 3.211 8.243 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.679 3.398 9.903 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.896 1.418 10.627 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.909 1.100 7.570 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.961 -1.048 10.939 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.049 -1.354 7.956 1.00 0.00 H new ATOM 0 HH TYR A 10 1.846 -3.028 10.137 1.00 0.00 H new ATOM 203 N SER A 11 1.231 5.865 8.885 1.00 0.00 N ATOM 204 CA SER A 11 1.687 7.242 8.739 1.00 0.00 C ATOM 205 C SER A 11 3.041 7.375 9.448 1.00 0.00 C ATOM 206 O SER A 11 3.487 6.438 10.110 1.00 0.00 O ATOM 207 CB SER A 11 0.645 8.196 9.336 1.00 0.00 C ATOM 208 OG SER A 11 0.366 7.862 10.680 1.00 0.00 O ATOM 0 H SER A 11 0.840 5.679 9.808 1.00 0.00 H new ATOM 0 HA SER A 11 1.808 7.503 7.688 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.011 9.221 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.272 8.153 8.749 1.00 0.00 H new ATOM 0 HG SER A 11 -0.300 8.485 11.040 1.00 0.00 H new ATOM 214 N ARG A 12 3.685 8.542 9.326 1.00 0.00 N ATOM 215 CA ARG A 12 4.917 8.868 10.038 1.00 0.00 C ATOM 216 C ARG A 12 4.618 10.042 10.966 1.00 0.00 C ATOM 217 O ARG A 12 4.260 9.826 12.122 1.00 0.00 O ATOM 218 CB ARG A 12 6.041 9.152 9.031 1.00 0.00 C ATOM 219 CG ARG A 12 6.482 7.867 8.318 1.00 0.00 C ATOM 220 CD ARG A 12 7.542 7.071 9.090 1.00 0.00 C ATOM 221 NE ARG A 12 8.849 7.746 9.060 1.00 0.00 N ATOM 222 CZ ARG A 12 9.664 7.820 7.991 1.00 0.00 C ATOM 223 NH1 ARG A 12 9.360 7.196 6.842 1.00 0.00 N ATOM 224 NH2 ARG A 12 10.794 8.533 8.074 1.00 0.00 N ATOM 0 H ARG A 12 3.357 9.294 8.720 1.00 0.00 H new ATOM 0 HA ARG A 12 5.268 8.035 10.648 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.699 9.880 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.892 9.596 9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.610 7.233 8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.877 8.124 7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.221 6.942 10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.636 6.074 8.659 1.00 0.00 H new ATOM 0 HE ARG A 12 9.164 8.195 9.920 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.499 6.654 6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.990 7.264 6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.031 9.014 8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.418 8.595 7.270 1.00 0.00 H new ATOM 238 N HIS A 13 4.705 11.274 10.453 1.00 0.00 N ATOM 239 CA HIS A 13 4.168 12.441 11.138 1.00 0.00 C ATOM 240 C HIS A 13 2.640 12.396 10.992 1.00 0.00 C ATOM 241 O HIS A 13 2.150 11.733 10.074 1.00 0.00 O ATOM 242 CB HIS A 13 4.758 13.716 10.525 1.00 0.00 C ATOM 243 CG HIS A 13 6.253 13.708 10.364 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.100 13.335 11.407 1.00 0.00 N ATOM 245 CD2 HIS A 13 7.009 14.059 9.277 1.00 0.00 C ATOM 246 CE1 HIS A 13 8.331 13.478 10.910 1.00 0.00 C ATOM 247 NE2 HIS A 13 8.331 13.907 9.637 1.00 0.00 N ATOM 0 H HIS A 13 5.147 11.483 9.558 1.00 0.00 H new ATOM 0 HA HIS A 13 4.432 12.440 12.195 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.303 13.876 9.548 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.479 14.565 11.149 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.639 14.392 8.319 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.230 13.271 11.471 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.148 14.085 9.052 1.00 0.00 H new ATOM 255 N PRO A 14 1.870 13.058 11.873 1.00 0.00 N ATOM 256 CA PRO A 14 0.415 12.961 11.900 1.00 0.00 C ATOM 257 C PRO A 14 -0.239 13.838 10.822 1.00 0.00 C ATOM 258 O PRO A 14 -1.209 14.534 11.105 1.00 0.00 O ATOM 259 CB PRO A 14 0.035 13.379 13.326 1.00 0.00 C ATOM 260 CG PRO A 14 1.094 14.422 13.660 1.00 0.00 C ATOM 261 CD PRO A 14 2.344 13.831 13.011 1.00 0.00 C ATOM 0 HA PRO A 14 0.058 11.957 11.669 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.972 13.794 13.372 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.064 12.536 14.017 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.846 15.401 13.249 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.215 14.549 14.736 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.028 14.617 12.692 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.888 13.200 13.713 1.00 0.00 H new ATOM 269 N ALA A 15 0.271 13.763 9.585 1.00 0.00 N ATOM 270 CA ALA A 15 -0.263 14.385 8.384 1.00 0.00 C ATOM 271 C ALA A 15 -0.400 15.903 8.523 1.00 0.00 C ATOM 272 O ALA A 15 -1.369 16.391 9.099 1.00 0.00 O ATOM 273 CB ALA A 15 -1.593 13.731 8.016 1.00 0.00 C ATOM 0 H ALA A 15 1.120 13.231 9.394 1.00 0.00 H new ATOM 0 HA ALA A 15 0.448 14.222 7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.992 14.199 7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.438 12.668 7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.301 13.859 8.835 1.00 0.00 H new ATOM 279 N GLU A 16 0.554 16.650 7.962 1.00 0.00 N ATOM 280 CA GLU A 16 0.560 18.110 7.981 1.00 0.00 C ATOM 281 C GLU A 16 0.763 18.638 6.564 1.00 0.00 C ATOM 282 O GLU A 16 1.640 18.164 5.846 1.00 0.00 O ATOM 283 CB GLU A 16 1.654 18.661 8.904 1.00 0.00 C ATOM 284 CG GLU A 16 1.692 17.996 10.286 1.00 0.00 C ATOM 285 CD GLU A 16 2.796 16.946 10.361 1.00 0.00 C ATOM 286 OE1 GLU A 16 3.942 17.356 10.656 1.00 0.00 O ATOM 287 OE2 GLU A 16 2.480 15.764 10.114 1.00 0.00 O ATOM 0 H GLU A 16 1.355 16.249 7.475 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.401 18.446 8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.623 18.531 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.503 19.733 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.854 18.753 11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.729 17.531 10.496 1.00 0.00 H new ATOM 294 N ASN A 17 -0.051 19.620 6.163 1.00 0.00 N ATOM 295 CA ASN A 17 -0.037 20.175 4.823 1.00 0.00 C ATOM 296 C ASN A 17 1.208 21.026 4.580 1.00 0.00 C ATOM 297 O ASN A 17 1.692 21.703 5.487 1.00 0.00 O ATOM 298 CB ASN A 17 -1.337 20.954 4.584 1.00 0.00 C ATOM 299 CG ASN A 17 -1.551 22.075 5.595 1.00 0.00 C ATOM 300 OD1 ASN A 17 -2.163 21.858 6.638 1.00 0.00 O ATOM 301 ND2 ASN A 17 -1.061 23.277 5.289 1.00 0.00 N ATOM 0 H ASN A 17 -0.744 20.051 6.775 1.00 0.00 H new ATOM 0 HA ASN A 17 0.013 19.363 4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.322 21.376 3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.181 20.265 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.189 24.059 5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.559 23.415 4.412 1.00 0.00 H new ATOM 308 N GLY A 18 1.743 20.946 3.353 1.00 0.00 N ATOM 309 CA GLY A 18 2.982 21.591 2.935 1.00 0.00 C ATOM 310 C GLY A 18 4.198 20.811 3.434 1.00 0.00 C ATOM 311 O GLY A 18 5.067 20.423 2.654 1.00 0.00 O ATOM 0 H GLY A 18 1.305 20.410 2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.011 21.661 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.015 22.610 3.321 1.00 0.00 H new ATOM 315 N LYS A 19 4.236 20.586 4.749 1.00 0.00 N ATOM 316 CA LYS A 19 5.242 19.842 5.489 1.00 0.00 C ATOM 317 C LYS A 19 5.168 18.352 5.144 1.00 0.00 C ATOM 318 O LYS A 19 4.521 17.543 5.807 1.00 0.00 O ATOM 319 CB LYS A 19 5.041 20.105 6.970 1.00 0.00 C ATOM 320 CG LYS A 19 6.247 20.850 7.544 1.00 0.00 C ATOM 321 CD LYS A 19 5.954 21.491 8.897 1.00 0.00 C ATOM 322 CE LYS A 19 5.193 20.587 9.879 1.00 0.00 C ATOM 323 NZ LYS A 19 5.888 19.312 10.135 1.00 0.00 N ATOM 0 H LYS A 19 3.508 20.948 5.364 1.00 0.00 H new ATOM 0 HA LYS A 19 6.243 20.172 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.136 20.692 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.902 19.162 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.081 20.156 7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.560 21.622 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.897 21.791 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.375 22.400 8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.055 21.117 10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.199 20.381 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.205 18.607 10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.324 18.972 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.626 19.457 10.853 1.00 0.00 H new ATOM 337 N SER A 20 5.851 18.047 4.048 1.00 0.00 N ATOM 338 CA SER A 20 5.818 16.766 3.354 1.00 0.00 C ATOM 339 C SER A 20 6.072 15.599 4.317 1.00 0.00 C ATOM 340 O SER A 20 6.873 15.708 5.245 1.00 0.00 O ATOM 341 CB SER A 20 6.837 16.758 2.215 1.00 0.00 C ATOM 342 OG SER A 20 6.578 15.673 1.348 1.00 0.00 O ATOM 0 H SER A 20 6.473 18.718 3.597 1.00 0.00 H new ATOM 0 HA SER A 20 4.820 16.634 2.935 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.786 17.696 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.846 16.680 2.619 1.00 0.00 H new ATOM 0 HG SER A 20 5.719 15.812 0.897 1.00 0.00 H new ATOM 348 N ASN A 21 5.351 14.499 4.096 1.00 0.00 N ATOM 349 CA ASN A 21 5.110 13.437 5.063 1.00 0.00 C ATOM 350 C ASN A 21 5.659 12.113 4.499 1.00 0.00 C ATOM 351 O ASN A 21 6.586 12.136 3.690 1.00 0.00 O ATOM 352 CB ASN A 21 3.590 13.422 5.316 1.00 0.00 C ATOM 353 CG ASN A 21 3.196 13.238 6.779 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.096 14.224 7.501 1.00 0.00 O ATOM 355 ND2 ASN A 21 2.927 12.005 7.215 1.00 0.00 N ATOM 0 H ASN A 21 4.901 14.320 3.198 1.00 0.00 H new ATOM 0 HA ASN A 21 5.620 13.591 6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.164 14.357 4.953 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.144 12.619 4.729 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.627 11.859 8.179 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.022 11.209 6.584 1.00 0.00 H new ATOM 362 N PHE A 22 5.098 10.959 4.894 1.00 0.00 N ATOM 363 CA PHE A 22 5.419 9.664 4.301 1.00 0.00 C ATOM 364 C PHE A 22 4.314 8.644 4.594 1.00 0.00 C ATOM 365 O PHE A 22 3.985 8.396 5.754 1.00 0.00 O ATOM 366 CB PHE A 22 6.783 9.142 4.778 1.00 0.00 C ATOM 367 CG PHE A 22 7.809 8.951 3.681 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.621 7.936 2.725 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.997 9.704 3.679 1.00 0.00 C ATOM 370 CE1 PHE A 22 8.609 7.688 1.756 1.00 0.00 C ATOM 371 CE2 PHE A 22 10.006 9.422 2.741 1.00 0.00 C ATOM 372 CZ PHE A 22 9.809 8.420 1.775 1.00 0.00 C ATOM 0 H PHE A 22 4.404 10.905 5.640 1.00 0.00 H new ATOM 0 HA PHE A 22 5.482 9.805 3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.185 9.837 5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.634 8.190 5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.716 7.346 2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.134 10.498 4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.446 6.936 0.998 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.933 9.976 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.580 8.213 1.047 1.00 0.00 H new ATOM 382 N LEU A 23 3.746 8.077 3.523 1.00 0.00 N ATOM 383 CA LEU A 23 2.665 7.098 3.510 1.00 0.00 C ATOM 384 C LEU A 23 3.286 5.732 3.255 1.00 0.00 C ATOM 385 O LEU A 23 4.196 5.637 2.433 1.00 0.00 O ATOM 386 CB LEU A 23 1.704 7.464 2.373 1.00 0.00 C ATOM 387 CG LEU A 23 0.505 6.540 2.159 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.443 6.673 3.351 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.225 6.999 0.889 1.00 0.00 C ATOM 0 H LEU A 23 4.055 8.310 2.579 1.00 0.00 H new ATOM 0 HA LEU A 23 2.118 7.085 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.328 8.471 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.274 7.501 1.445 1.00 0.00 H new ATOM 0 HG LEU A 23 0.831 5.504 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.302 6.017 3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.080 6.391 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.784 7.705 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.087 6.356 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.560 8.029 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.453 6.939 0.038 1.00 0.00 H new ATOM 401 N ASN A 24 2.826 4.696 3.970 1.00 0.00 N ATOM 402 CA ASN A 24 3.491 3.401 3.975 1.00 0.00 C ATOM 403 C ASN A 24 2.450 2.282 3.988 1.00 0.00 C ATOM 404 O ASN A 24 2.059 1.809 5.055 1.00 0.00 O ATOM 405 CB ASN A 24 4.406 3.295 5.198 1.00 0.00 C ATOM 406 CG ASN A 24 5.383 4.461 5.356 1.00 0.00 C ATOM 407 OD1 ASN A 24 6.530 4.395 4.924 1.00 0.00 O ATOM 408 ND2 ASN A 24 4.928 5.533 6.009 1.00 0.00 N ATOM 0 H ASN A 24 1.990 4.738 4.553 1.00 0.00 H new ATOM 0 HA ASN A 24 4.097 3.302 3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.789 3.229 6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.974 2.367 5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.540 6.334 6.163 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.968 5.551 6.353 1.00 0.00 H new ATOM 415 N CYS A 25 2.010 1.846 2.803 1.00 0.00 N ATOM 416 CA CYS A 25 0.975 0.826 2.663 1.00 0.00 C ATOM 417 C CYS A 25 1.628 -0.544 2.599 1.00 0.00 C ATOM 418 O CYS A 25 1.810 -1.099 1.518 1.00 0.00 O ATOM 419 CB CYS A 25 0.092 1.088 1.439 1.00 0.00 C ATOM 420 SG CYS A 25 -0.851 2.629 1.561 1.00 0.00 S ATOM 0 H CYS A 25 2.366 2.194 1.913 1.00 0.00 H new ATOM 0 HA CYS A 25 0.319 0.864 3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.718 1.122 0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.599 0.255 1.312 1.00 0.00 H new ATOM 425 N TYR A 26 1.985 -1.083 3.767 1.00 0.00 N ATOM 426 CA TYR A 26 2.614 -2.385 3.867 1.00 0.00 C ATOM 427 C TYR A 26 1.562 -3.456 3.599 1.00 0.00 C ATOM 428 O TYR A 26 0.446 -3.349 4.099 1.00 0.00 O ATOM 429 CB TYR A 26 3.226 -2.535 5.264 1.00 0.00 C ATOM 430 CG TYR A 26 3.910 -3.859 5.555 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.676 -4.517 4.576 1.00 0.00 C ATOM 432 CD2 TYR A 26 3.754 -4.453 6.819 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.200 -5.793 4.828 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.275 -5.732 7.074 1.00 0.00 C ATOM 435 CZ TYR A 26 5.011 -6.400 6.081 1.00 0.00 C ATOM 436 OH TYR A 26 5.535 -7.634 6.331 1.00 0.00 O ATOM 0 H TYR A 26 1.842 -0.622 4.666 1.00 0.00 H new ATOM 0 HA TYR A 26 3.412 -2.493 3.132 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.952 -1.735 5.408 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.437 -2.387 6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.861 -4.037 3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.230 -3.922 7.600 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.751 -6.311 4.057 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.110 -6.202 8.032 1.00 0.00 H new ATOM 0 HH TYR A 26 6.104 -7.906 5.581 1.00 0.00 H new ATOM 446 N VAL A 27 1.910 -4.478 2.809 1.00 0.00 N ATOM 447 CA VAL A 27 1.035 -5.613 2.552 1.00 0.00 C ATOM 448 C VAL A 27 1.859 -6.874 2.754 1.00 0.00 C ATOM 449 O VAL A 27 3.019 -6.909 2.348 1.00 0.00 O ATOM 450 CB VAL A 27 0.438 -5.573 1.133 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.767 -6.514 1.036 1.00 0.00 C ATOM 452 CG2 VAL A 27 -0.027 -4.180 0.730 1.00 0.00 C ATOM 0 H VAL A 27 2.810 -4.536 2.332 1.00 0.00 H new ATOM 0 HA VAL A 27 0.188 -5.586 3.238 1.00 0.00 H new ATOM 0 HB VAL A 27 1.237 -5.884 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.179 -6.475 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.452 -7.533 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.529 -6.204 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.439 -4.211 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.794 -3.837 1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.819 -3.493 0.756 1.00 0.00 H new ATOM 462 N SER A 28 1.264 -7.900 3.369 1.00 0.00 N ATOM 463 CA SER A 28 1.920 -9.176 3.593 1.00 0.00 C ATOM 464 C SER A 28 0.910 -10.310 3.760 1.00 0.00 C ATOM 465 O SER A 28 -0.283 -10.115 3.543 1.00 0.00 O ATOM 466 CB SER A 28 2.887 -9.050 4.781 1.00 0.00 C ATOM 467 OG SER A 28 2.180 -8.732 5.961 1.00 0.00 O ATOM 0 H SER A 28 0.309 -7.861 3.724 1.00 0.00 H new ATOM 0 HA SER A 28 2.505 -9.440 2.712 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.430 -9.985 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.628 -8.278 4.574 1.00 0.00 H new ATOM 0 HG SER A 28 2.809 -8.656 6.709 1.00 0.00 H new ATOM 473 N GLY A 29 1.392 -11.514 4.098 1.00 0.00 N ATOM 474 CA GLY A 29 0.558 -12.694 4.279 1.00 0.00 C ATOM 475 C GLY A 29 0.372 -13.471 2.974 1.00 0.00 C ATOM 476 O GLY A 29 0.324 -14.699 2.997 1.00 0.00 O ATOM 0 H GLY A 29 2.385 -11.690 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.009 -13.345 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.416 -12.393 4.664 1.00 0.00 H new ATOM 480 N PHE A 30 0.243 -12.755 1.850 1.00 0.00 N ATOM 481 CA PHE A 30 -0.123 -13.307 0.553 1.00 0.00 C ATOM 482 C PHE A 30 1.029 -14.092 -0.080 1.00 0.00 C ATOM 483 O PHE A 30 2.136 -14.114 0.449 1.00 0.00 O ATOM 484 CB PHE A 30 -0.617 -12.177 -0.361 1.00 0.00 C ATOM 485 CG PHE A 30 0.426 -11.129 -0.700 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.304 -11.353 -1.775 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.541 -9.944 0.054 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.318 -10.435 -2.073 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.562 -9.029 -0.241 1.00 0.00 C ATOM 490 CZ PHE A 30 2.450 -9.281 -1.295 1.00 0.00 C ATOM 0 H PHE A 30 0.396 -11.747 1.824 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.933 -14.023 0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.986 -12.615 -1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.463 -11.685 0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.195 -12.243 -2.377 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.154 -9.741 0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.992 -10.617 -2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.664 -8.128 0.346 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.242 -8.579 -1.508 1.00 0.00 H new ATOM 500 N HIS A 31 0.750 -14.727 -1.226 1.00 0.00 N ATOM 501 CA HIS A 31 1.707 -15.456 -2.057 1.00 0.00 C ATOM 502 C HIS A 31 0.902 -15.777 -3.329 1.00 0.00 C ATOM 503 O HIS A 31 -0.291 -16.057 -3.208 1.00 0.00 O ATOM 504 CB HIS A 31 2.173 -16.716 -1.296 1.00 0.00 C ATOM 505 CG HIS A 31 2.663 -17.899 -2.101 1.00 0.00 C ATOM 506 ND1 HIS A 31 3.886 -18.496 -1.793 1.00 0.00 N ATOM 507 CD2 HIS A 31 2.116 -18.564 -3.167 1.00 0.00 C ATOM 508 CE1 HIS A 31 4.030 -19.482 -2.682 1.00 0.00 C ATOM 509 NE2 HIS A 31 2.998 -19.557 -3.536 1.00 0.00 N ATOM 0 H HIS A 31 -0.193 -14.745 -1.614 1.00 0.00 H new ATOM 0 HA HIS A 31 2.618 -14.909 -2.301 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.975 -16.419 -0.620 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.343 -17.056 -0.676 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.166 -18.349 -3.634 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.882 -20.145 -2.710 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.888 -20.218 -4.305 1.00 0.00 H new ATOM 517 N PRO A 32 1.481 -15.747 -4.545 1.00 0.00 N ATOM 518 CA PRO A 32 2.896 -15.611 -4.842 1.00 0.00 C ATOM 519 C PRO A 32 3.252 -14.121 -5.028 1.00 0.00 C ATOM 520 O PRO A 32 2.794 -13.278 -4.258 1.00 0.00 O ATOM 521 CB PRO A 32 3.071 -16.467 -6.105 1.00 0.00 C ATOM 522 CG PRO A 32 1.797 -16.144 -6.881 1.00 0.00 C ATOM 523 CD PRO A 32 0.759 -16.102 -5.759 1.00 0.00 C ATOM 0 HA PRO A 32 3.569 -15.947 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.968 -16.196 -6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.149 -17.529 -5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.868 -15.193 -7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.566 -16.906 -7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.019 -15.370 -5.977 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.266 -17.068 -5.649 1.00 0.00 H new ATOM 531 N SER A 33 4.072 -13.789 -6.034 1.00 0.00 N ATOM 532 CA SER A 33 4.724 -12.496 -6.189 1.00 0.00 C ATOM 533 C SER A 33 3.872 -11.435 -6.882 1.00 0.00 C ATOM 534 O SER A 33 4.128 -10.244 -6.711 1.00 0.00 O ATOM 535 CB SER A 33 6.029 -12.718 -6.960 1.00 0.00 C ATOM 536 OG SER A 33 5.765 -13.213 -8.258 1.00 0.00 O ATOM 0 H SER A 33 4.303 -14.440 -6.784 1.00 0.00 H new ATOM 0 HA SER A 33 4.905 -12.099 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.581 -11.780 -7.028 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.662 -13.422 -6.419 1.00 0.00 H new ATOM 0 HG SER A 33 6.610 -13.347 -8.735 1.00 0.00 H new ATOM 542 N ASP A 34 2.909 -11.856 -7.703 1.00 0.00 N ATOM 543 CA ASP A 34 2.233 -10.990 -8.653 1.00 0.00 C ATOM 544 C ASP A 34 1.162 -10.145 -7.955 1.00 0.00 C ATOM 545 O ASP A 34 -0.003 -10.530 -7.916 1.00 0.00 O ATOM 546 CB ASP A 34 1.678 -11.880 -9.776 1.00 0.00 C ATOM 547 CG ASP A 34 0.944 -11.110 -10.872 1.00 0.00 C ATOM 548 OD1 ASP A 34 1.189 -9.890 -10.992 1.00 0.00 O ATOM 549 OD2 ASP A 34 0.158 -11.769 -11.586 1.00 0.00 O ATOM 0 H ASP A 34 2.577 -12.820 -7.722 1.00 0.00 H new ATOM 0 HA ASP A 34 2.921 -10.268 -9.092 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.501 -12.436 -10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.997 -12.613 -9.342 1.00 0.00 H new ATOM 554 N ILE A 35 1.565 -8.995 -7.397 1.00 0.00 N ATOM 555 CA ILE A 35 0.666 -8.016 -6.790 1.00 0.00 C ATOM 556 C ILE A 35 0.958 -6.613 -7.307 1.00 0.00 C ATOM 557 O ILE A 35 2.101 -6.274 -7.612 1.00 0.00 O ATOM 558 CB ILE A 35 0.718 -8.100 -5.255 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.258 -7.152 -4.538 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.112 -7.837 -4.719 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.429 -7.523 -3.062 1.00 0.00 C ATOM 0 H ILE A 35 2.546 -8.718 -7.357 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.356 -8.255 -7.086 1.00 0.00 H new ATOM 0 HB ILE A 35 0.414 -9.124 -5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.107 -6.128 -4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.227 -7.184 -5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.103 -7.906 -3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.803 -8.576 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.434 -6.839 -5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.126 -6.830 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.819 -8.538 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.536 -7.466 -2.558 1.00 0.00 H new ATOM 573 N GLU A 36 -0.106 -5.814 -7.395 1.00 0.00 N ATOM 574 CA GLU A 36 -0.119 -4.472 -7.948 1.00 0.00 C ATOM 575 C GLU A 36 -0.590 -3.501 -6.871 1.00 0.00 C ATOM 576 O GLU A 36 -1.686 -3.676 -6.334 1.00 0.00 O ATOM 577 CB GLU A 36 -1.058 -4.398 -9.153 1.00 0.00 C ATOM 578 CG GLU A 36 -1.006 -5.654 -10.021 1.00 0.00 C ATOM 579 CD GLU A 36 -1.827 -5.454 -11.291 1.00 0.00 C ATOM 580 OE1 GLU A 36 -3.062 -5.323 -11.146 1.00 0.00 O ATOM 581 OE2 GLU A 36 -1.208 -5.410 -12.376 1.00 0.00 O ATOM 0 H GLU A 36 -1.025 -6.106 -7.064 1.00 0.00 H new ATOM 0 HA GLU A 36 0.886 -4.209 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.079 -4.245 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.796 -3.531 -9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.028 -5.883 -10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.390 -6.507 -9.462 1.00 0.00 H new ATOM 588 N VAL A 37 0.231 -2.494 -6.552 1.00 0.00 N ATOM 589 CA VAL A 37 -0.067 -1.511 -5.520 1.00 0.00 C ATOM 590 C VAL A 37 0.306 -0.129 -6.040 1.00 0.00 C ATOM 591 O VAL A 37 1.428 0.335 -5.848 1.00 0.00 O ATOM 592 CB VAL A 37 0.646 -1.894 -4.211 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.399 -0.934 -3.040 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.171 -3.285 -3.784 1.00 0.00 C ATOM 0 H VAL A 37 1.129 -2.343 -7.012 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.132 -1.492 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 37 1.713 -1.855 -4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.941 -1.285 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.748 0.063 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.668 -0.898 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.668 -3.571 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.908 -3.269 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.414 -4.007 -4.563 1.00 0.00 H new ATOM 604 N ASP A 38 -0.661 0.513 -6.705 1.00 0.00 N ATOM 605 CA ASP A 38 -0.551 1.866 -7.221 1.00 0.00 C ATOM 606 C ASP A 38 -1.137 2.811 -6.175 1.00 0.00 C ATOM 607 O ASP A 38 -2.306 2.685 -5.810 1.00 0.00 O ATOM 608 CB ASP A 38 -1.297 1.986 -8.558 1.00 0.00 C ATOM 609 CG ASP A 38 -0.880 0.917 -9.568 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.321 0.576 -9.598 1.00 0.00 O ATOM 611 OD2 ASP A 38 -1.765 0.496 -10.344 1.00 0.00 O ATOM 0 H ASP A 38 -1.566 0.085 -6.901 1.00 0.00 H new ATOM 0 HA ASP A 38 0.491 2.125 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.369 1.911 -8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.114 2.973 -8.984 1.00 0.00 H new ATOM 616 N LEU A 39 -0.325 3.746 -5.675 1.00 0.00 N ATOM 617 CA LEU A 39 -0.754 4.676 -4.647 1.00 0.00 C ATOM 618 C LEU A 39 -1.470 5.839 -5.345 1.00 0.00 C ATOM 619 O LEU A 39 -1.178 6.139 -6.504 1.00 0.00 O ATOM 620 CB LEU A 39 0.424 5.055 -3.731 1.00 0.00 C ATOM 621 CG LEU A 39 0.993 3.839 -2.967 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.038 3.048 -3.759 1.00 0.00 C ATOM 623 CD2 LEU A 39 1.669 4.286 -1.666 1.00 0.00 C ATOM 0 H LEU A 39 0.642 3.873 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.474 4.235 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.215 5.507 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.096 5.809 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 39 0.132 3.198 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.392 2.210 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.590 2.672 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.878 3.698 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.063 3.415 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.485 4.971 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.940 4.791 -1.032 1.00 0.00 H new ATOM 635 N LEU A 40 -2.498 6.397 -4.696 1.00 0.00 N ATOM 636 CA LEU A 40 -3.606 7.042 -5.395 1.00 0.00 C ATOM 637 C LEU A 40 -4.182 8.134 -4.494 1.00 0.00 C ATOM 638 O LEU A 40 -4.460 7.852 -3.333 1.00 0.00 O ATOM 639 CB LEU A 40 -4.654 5.947 -5.688 1.00 0.00 C ATOM 640 CG LEU A 40 -5.456 6.033 -6.997 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.406 7.233 -7.055 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.555 5.993 -8.234 1.00 0.00 C ATOM 0 H LEU A 40 -2.582 6.413 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.290 7.506 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.141 4.985 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.366 5.940 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.080 5.139 -7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.938 7.230 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.124 7.169 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.833 8.156 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.168 6.057 -9.133 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.862 6.834 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.992 5.060 -8.244 1.00 0.00 H new ATOM 654 N LYS A 41 -4.383 9.364 -4.992 1.00 0.00 N ATOM 655 CA LYS A 41 -5.110 10.378 -4.241 1.00 0.00 C ATOM 656 C LYS A 41 -6.619 10.136 -4.400 1.00 0.00 C ATOM 657 O LYS A 41 -7.070 8.993 -4.419 1.00 0.00 O ATOM 658 CB LYS A 41 -4.658 11.784 -4.651 1.00 0.00 C ATOM 659 CG LYS A 41 -3.172 12.016 -4.382 1.00 0.00 C ATOM 660 CD LYS A 41 -2.282 11.489 -5.507 1.00 0.00 C ATOM 661 CE LYS A 41 -1.003 12.286 -5.775 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.254 13.704 -6.094 1.00 0.00 N ATOM 0 H LYS A 41 -4.051 9.671 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.885 10.302 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.861 11.934 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.244 12.525 -4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.992 13.083 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.896 11.529 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.005 10.461 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.869 11.460 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.356 12.227 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.463 11.825 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.392 14.128 -6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.026 13.772 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.522 14.213 -5.227 1.00 0.00 H new ATOM 676 N ASN A 42 -7.396 11.211 -4.554 1.00 0.00 N ATOM 677 CA ASN A 42 -8.796 11.167 -4.959 1.00 0.00 C ATOM 678 C ASN A 42 -8.949 10.579 -6.368 1.00 0.00 C ATOM 679 O ASN A 42 -9.941 9.910 -6.647 1.00 0.00 O ATOM 680 CB ASN A 42 -9.405 12.577 -4.890 1.00 0.00 C ATOM 681 CG ASN A 42 -8.706 13.560 -5.832 1.00 0.00 C ATOM 682 OD1 ASN A 42 -9.146 13.762 -6.961 1.00 0.00 O ATOM 683 ND2 ASN A 42 -7.601 14.160 -5.384 1.00 0.00 N ATOM 0 H ASN A 42 -7.056 12.159 -4.395 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.333 10.515 -4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.464 12.525 -5.143 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.340 12.949 -3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.094 14.810 -5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.264 13.969 -4.441 1.00 0.00 H new ATOM 690 N GLY A 43 -7.979 10.844 -7.251 1.00 0.00 N ATOM 691 CA GLY A 43 -8.008 10.443 -8.649 1.00 0.00 C ATOM 692 C GLY A 43 -6.586 10.284 -9.179 1.00 0.00 C ATOM 693 O GLY A 43 -6.259 9.261 -9.779 1.00 0.00 O ATOM 0 H GLY A 43 -7.134 11.357 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.551 9.504 -8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.543 11.188 -9.238 1.00 0.00 H new ATOM 697 N GLU A 44 -5.747 11.303 -8.948 1.00 0.00 N ATOM 698 CA GLU A 44 -4.368 11.367 -9.395 1.00 0.00 C ATOM 699 C GLU A 44 -3.580 10.139 -8.920 1.00 0.00 C ATOM 700 O GLU A 44 -3.837 9.614 -7.839 1.00 0.00 O ATOM 701 CB GLU A 44 -3.753 12.645 -8.820 1.00 0.00 C ATOM 702 CG GLU A 44 -4.334 13.943 -9.392 1.00 0.00 C ATOM 703 CD GLU A 44 -3.821 15.158 -8.619 1.00 0.00 C ATOM 704 OE1 GLU A 44 -2.743 15.032 -7.995 1.00 0.00 O ATOM 705 OE2 GLU A 44 -4.527 16.188 -8.646 1.00 0.00 O ATOM 0 H GLU A 44 -6.030 12.131 -8.424 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.330 11.377 -10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.892 12.645 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.679 12.631 -9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.063 14.035 -10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.423 13.910 -9.345 1.00 0.00 H new ATOM 712 N ARG A 45 -2.620 9.696 -9.738 1.00 0.00 N ATOM 713 CA ARG A 45 -1.773 8.536 -9.492 1.00 0.00 C ATOM 714 C ARG A 45 -0.398 8.992 -9.009 1.00 0.00 C ATOM 715 O ARG A 45 0.078 10.054 -9.408 1.00 0.00 O ATOM 716 CB ARG A 45 -1.687 7.724 -10.789 1.00 0.00 C ATOM 717 CG ARG A 45 -0.860 6.441 -10.645 1.00 0.00 C ATOM 718 CD ARG A 45 -0.853 5.677 -11.972 1.00 0.00 C ATOM 719 NE ARG A 45 0.160 4.613 -11.956 1.00 0.00 N ATOM 720 CZ ARG A 45 -0.063 3.291 -11.858 1.00 0.00 C ATOM 721 NH1 ARG A 45 -1.298 2.778 -11.965 1.00 0.00 N ATOM 722 NH2 ARG A 45 0.972 2.471 -11.635 1.00 0.00 N ATOM 0 H ARG A 45 -2.407 10.157 -10.623 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.193 7.904 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.694 7.465 -11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.249 8.345 -11.570 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.160 6.686 -10.351 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.277 5.815 -9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.837 5.245 -12.154 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.651 6.366 -12.792 1.00 0.00 H new ATOM 0 HE ARG A 45 1.134 4.908 -12.027 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.094 3.395 -12.124 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.440 1.771 -11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.914 2.852 -11.542 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.819 1.466 -11.558 1.00 0.00 H new ATOM 736 N ILE A 46 0.224 8.201 -8.126 1.00 0.00 N ATOM 737 CA ILE A 46 1.500 8.490 -7.525 1.00 0.00 C ATOM 738 C ILE A 46 2.560 7.682 -8.268 1.00 0.00 C ATOM 739 O ILE A 46 2.562 6.454 -8.201 1.00 0.00 O ATOM 740 CB ILE A 46 1.379 8.119 -6.040 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.298 9.014 -5.404 1.00 0.00 C ATOM 742 CG2 ILE A 46 2.725 8.298 -5.361 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.104 8.888 -3.892 1.00 0.00 C ATOM 0 H ILE A 46 -0.174 7.316 -7.810 1.00 0.00 H new ATOM 0 HA ILE A 46 1.792 9.538 -7.593 1.00 0.00 H new ATOM 0 HB ILE A 46 1.086 7.076 -5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.539 10.052 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.653 8.795 -5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.639 8.035 -4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.462 7.651 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.042 9.337 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.683 9.569 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.177 7.864 -3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.034 9.141 -3.383 1.00 0.00 H new ATOM 755 N GLU A 47 3.455 8.379 -8.974 1.00 0.00 N ATOM 756 CA GLU A 47 4.570 7.780 -9.695 1.00 0.00 C ATOM 757 C GLU A 47 5.762 7.552 -8.762 1.00 0.00 C ATOM 758 O GLU A 47 6.469 6.557 -8.910 1.00 0.00 O ATOM 759 CB GLU A 47 4.956 8.644 -10.895 1.00 0.00 C ATOM 760 CG GLU A 47 3.905 8.519 -12.006 1.00 0.00 C ATOM 761 CD GLU A 47 2.573 9.181 -11.663 1.00 0.00 C ATOM 762 OE1 GLU A 47 2.612 10.369 -11.276 1.00 0.00 O ATOM 763 OE2 GLU A 47 1.542 8.483 -11.783 1.00 0.00 O ATOM 0 H GLU A 47 3.420 9.395 -9.059 1.00 0.00 H new ATOM 0 HA GLU A 47 4.257 6.806 -10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.046 9.686 -10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.932 8.338 -11.273 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.299 8.965 -12.919 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.733 7.463 -12.215 1.00 0.00 H new ATOM 770 N LYS A 48 5.987 8.469 -7.808 1.00 0.00 N ATOM 771 CA LYS A 48 7.073 8.395 -6.840 1.00 0.00 C ATOM 772 C LYS A 48 6.770 7.341 -5.770 1.00 0.00 C ATOM 773 O LYS A 48 6.452 7.681 -4.630 1.00 0.00 O ATOM 774 CB LYS A 48 7.283 9.765 -6.184 1.00 0.00 C ATOM 775 CG LYS A 48 7.844 10.822 -7.142 1.00 0.00 C ATOM 776 CD LYS A 48 7.878 12.208 -6.479 1.00 0.00 C ATOM 777 CE LYS A 48 8.636 12.214 -5.144 1.00 0.00 C ATOM 778 NZ LYS A 48 8.754 13.575 -4.597 1.00 0.00 N ATOM 0 H LYS A 48 5.402 9.297 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 48 7.985 8.105 -7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.332 10.117 -5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.963 9.654 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.850 10.539 -7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.232 10.862 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.346 12.919 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.857 12.551 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.118 11.576 -4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.630 11.791 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.271 13.543 -3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.270 14.176 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.805 13.969 -4.438 1.00 0.00 H new ATOM 792 N VAL A 49 6.884 6.063 -6.142 1.00 0.00 N ATOM 793 CA VAL A 49 6.690 4.926 -5.255 1.00 0.00 C ATOM 794 C VAL A 49 8.042 4.243 -5.069 1.00 0.00 C ATOM 795 O VAL A 49 8.514 3.569 -5.984 1.00 0.00 O ATOM 796 CB VAL A 49 5.654 3.957 -5.853 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.386 2.805 -4.874 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.347 4.691 -6.175 1.00 0.00 C ATOM 0 H VAL A 49 7.120 5.789 -7.096 1.00 0.00 H new ATOM 0 HA VAL A 49 6.308 5.252 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 49 6.056 3.550 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.652 2.124 -5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.314 2.265 -4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.002 3.206 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.629 3.988 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.938 5.123 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.543 5.485 -6.896 1.00 0.00 H new ATOM 808 N GLU A 50 8.652 4.393 -3.888 1.00 0.00 N ATOM 809 CA GLU A 50 9.797 3.582 -3.511 1.00 0.00 C ATOM 810 C GLU A 50 9.220 2.314 -2.884 1.00 0.00 C ATOM 811 O GLU A 50 8.079 2.318 -2.417 1.00 0.00 O ATOM 812 CB GLU A 50 10.710 4.365 -2.554 1.00 0.00 C ATOM 813 CG GLU A 50 12.133 3.804 -2.503 1.00 0.00 C ATOM 814 CD GLU A 50 12.976 4.532 -1.458 1.00 0.00 C ATOM 815 OE1 GLU A 50 12.744 4.268 -0.257 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.831 5.343 -1.876 1.00 0.00 O ATOM 0 H GLU A 50 8.366 5.071 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 50 10.426 3.321 -4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.746 5.409 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.281 4.347 -1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.099 2.740 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.600 3.901 -3.483 1.00 0.00 H new ATOM 823 N HIS A 51 9.978 1.218 -2.880 1.00 0.00 N ATOM 824 CA HIS A 51 9.537 0.012 -2.206 1.00 0.00 C ATOM 825 C HIS A 51 10.738 -0.779 -1.719 1.00 0.00 C ATOM 826 O HIS A 51 11.788 -0.784 -2.361 1.00 0.00 O ATOM 827 CB HIS A 51 8.625 -0.823 -3.116 1.00 0.00 C ATOM 828 CG HIS A 51 9.332 -1.434 -4.297 1.00 0.00 C ATOM 829 ND1 HIS A 51 9.681 -2.784 -4.314 1.00 0.00 N ATOM 830 CD2 HIS A 51 9.742 -0.855 -5.470 1.00 0.00 C ATOM 831 CE1 HIS A 51 10.290 -2.966 -5.487 1.00 0.00 C ATOM 832 NE2 HIS A 51 10.350 -1.841 -6.219 1.00 0.00 N ATOM 0 H HIS A 51 10.889 1.146 -3.332 1.00 0.00 H new ATOM 0 HA HIS A 51 8.944 0.288 -1.334 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.171 -1.619 -2.526 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.814 -0.192 -3.478 1.00 0.00 H new ATOM 0 HD1 HIS A 51 9.508 -3.480 -3.589 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.613 0.179 -5.754 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.691 -3.914 -5.813 1.00 0.00 H new ATOM 840 N SER A 52 10.564 -1.460 -0.585 1.00 0.00 N ATOM 841 CA SER A 52 11.531 -2.433 -0.116 1.00 0.00 C ATOM 842 C SER A 52 11.534 -3.608 -1.092 1.00 0.00 C ATOM 843 O SER A 52 10.464 -4.061 -1.498 1.00 0.00 O ATOM 844 CB SER A 52 11.170 -2.897 1.298 1.00 0.00 C ATOM 845 OG SER A 52 9.902 -3.516 1.311 1.00 0.00 O ATOM 0 H SER A 52 9.753 -1.349 0.024 1.00 0.00 H new ATOM 0 HA SER A 52 12.526 -1.990 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.925 -3.595 1.661 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.171 -2.045 1.977 1.00 0.00 H new ATOM 0 HG SER A 52 9.689 -3.807 2.222 1.00 0.00 H new ATOM 851 N ASP A 53 12.722 -4.111 -1.449 1.00 0.00 N ATOM 852 CA ASP A 53 12.851 -5.291 -2.294 1.00 0.00 C ATOM 853 C ASP A 53 12.080 -6.462 -1.680 1.00 0.00 C ATOM 854 O ASP A 53 11.892 -6.509 -0.463 1.00 0.00 O ATOM 855 CB ASP A 53 14.334 -5.636 -2.481 1.00 0.00 C ATOM 856 CG ASP A 53 14.544 -6.822 -3.421 1.00 0.00 C ATOM 857 OD1 ASP A 53 13.810 -6.889 -4.432 1.00 0.00 O ATOM 858 OD2 ASP A 53 15.432 -7.644 -3.109 1.00 0.00 O ATOM 0 H ASP A 53 13.614 -3.709 -1.159 1.00 0.00 H new ATOM 0 HA ASP A 53 12.423 -5.085 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.859 -4.766 -2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.776 -5.862 -1.511 1.00 0.00 H new ATOM 863 N LEU A 54 11.611 -7.386 -2.528 1.00 0.00 N ATOM 864 CA LEU A 54 10.753 -8.486 -2.113 1.00 0.00 C ATOM 865 C LEU A 54 11.446 -9.276 -1.001 1.00 0.00 C ATOM 866 O LEU A 54 12.493 -9.882 -1.219 1.00 0.00 O ATOM 867 CB LEU A 54 10.406 -9.381 -3.316 1.00 0.00 C ATOM 868 CG LEU A 54 9.223 -10.346 -3.102 1.00 0.00 C ATOM 869 CD1 LEU A 54 9.286 -11.180 -1.822 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.869 -9.632 -3.178 1.00 0.00 C ATOM 0 H LEU A 54 11.822 -7.385 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 54 9.814 -8.093 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.182 -8.742 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.287 -9.966 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 54 9.319 -11.045 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.410 -11.825 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.188 -11.792 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.306 -10.517 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.068 -10.354 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.820 -8.862 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.755 -9.171 -4.159 1.00 0.00 H new ATOM 882 N SER A 55 10.825 -9.274 0.182 1.00 0.00 N ATOM 883 CA SER A 55 11.181 -10.119 1.304 1.00 0.00 C ATOM 884 C SER A 55 9.987 -11.026 1.551 1.00 0.00 C ATOM 885 O SER A 55 8.980 -10.574 2.086 1.00 0.00 O ATOM 886 CB SER A 55 11.482 -9.262 2.537 1.00 0.00 C ATOM 887 OG SER A 55 11.762 -10.101 3.638 1.00 0.00 O ATOM 0 H SER A 55 10.035 -8.660 0.382 1.00 0.00 H new ATOM 0 HA SER A 55 12.077 -10.705 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.331 -8.608 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.631 -8.620 2.763 1.00 0.00 H new ATOM 0 HG SER A 55 11.956 -9.552 4.426 1.00 0.00 H new ATOM 893 N PHE A 56 10.088 -12.300 1.163 1.00 0.00 N ATOM 894 CA PHE A 56 9.035 -13.268 1.428 1.00 0.00 C ATOM 895 C PHE A 56 9.195 -13.896 2.819 1.00 0.00 C ATOM 896 O PHE A 56 8.579 -14.920 3.110 1.00 0.00 O ATOM 897 CB PHE A 56 8.985 -14.292 0.278 1.00 0.00 C ATOM 898 CG PHE A 56 9.977 -15.432 0.328 1.00 0.00 C ATOM 899 CD1 PHE A 56 11.268 -15.271 -0.207 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.573 -16.685 0.829 1.00 0.00 C ATOM 901 CE1 PHE A 56 12.182 -16.340 -0.158 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.488 -17.751 0.880 1.00 0.00 C ATOM 903 CZ PHE A 56 11.791 -17.579 0.381 1.00 0.00 C ATOM 0 H PHE A 56 10.892 -12.680 0.664 1.00 0.00 H new ATOM 0 HA PHE A 56 8.066 -12.770 1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.982 -14.717 0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.133 -13.756 -0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.557 -14.331 -0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.560 -16.827 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.186 -16.209 -0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.191 -18.700 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.493 -18.399 0.412 1.00 0.00 H new ATOM 913 N SER A 57 10.058 -13.302 3.662 1.00 0.00 N ATOM 914 CA SER A 57 10.752 -13.987 4.741 1.00 0.00 C ATOM 915 C SER A 57 11.384 -15.273 4.184 1.00 0.00 C ATOM 916 O SER A 57 11.672 -15.364 2.991 1.00 0.00 O ATOM 917 CB SER A 57 9.807 -14.231 5.927 1.00 0.00 C ATOM 918 OG SER A 57 10.563 -14.614 7.058 1.00 0.00 O ATOM 0 H SER A 57 10.290 -12.311 3.602 1.00 0.00 H new ATOM 0 HA SER A 57 11.558 -13.367 5.134 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.238 -13.327 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.086 -15.009 5.677 1.00 0.00 H new ATOM 0 HG SER A 57 10.168 -15.416 7.459 1.00 0.00 H new ATOM 924 N LYS A 58 11.568 -16.279 5.037 1.00 0.00 N ATOM 925 CA LYS A 58 11.765 -17.660 4.624 1.00 0.00 C ATOM 926 C LYS A 58 10.432 -18.411 4.643 1.00 0.00 C ATOM 927 O LYS A 58 10.286 -19.434 3.976 1.00 0.00 O ATOM 928 CB LYS A 58 12.794 -18.305 5.560 1.00 0.00 C ATOM 929 CG LYS A 58 13.389 -19.580 4.945 1.00 0.00 C ATOM 930 CD LYS A 58 14.314 -20.323 5.922 1.00 0.00 C ATOM 931 CE LYS A 58 15.515 -19.496 6.400 1.00 0.00 C ATOM 932 NZ LYS A 58 16.345 -19.022 5.278 1.00 0.00 N ATOM 0 H LYS A 58 11.584 -16.152 6.049 1.00 0.00 H new ATOM 0 HA LYS A 58 12.143 -17.703 3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.593 -17.594 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.322 -18.545 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.581 -20.244 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.948 -19.320 4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.733 -20.635 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.680 -21.230 5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.160 -18.640 6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.125 -20.099 7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.180 -18.526 5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.651 -19.834 4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.790 -18.370 4.687 1.00 0.00 H new ATOM 946 N ASP A 59 9.479 -17.923 5.450 1.00 0.00 N ATOM 947 CA ASP A 59 8.441 -18.747 6.042 1.00 0.00 C ATOM 948 C ASP A 59 7.204 -18.895 5.151 1.00 0.00 C ATOM 949 O ASP A 59 6.079 -18.743 5.626 1.00 0.00 O ATOM 950 CB ASP A 59 8.077 -18.150 7.410 1.00 0.00 C ATOM 951 CG ASP A 59 9.301 -18.008 8.311 1.00 0.00 C ATOM 952 OD1 ASP A 59 9.719 -19.038 8.882 1.00 0.00 O ATOM 953 OD2 ASP A 59 9.809 -16.868 8.390 1.00 0.00 O ATOM 0 H ASP A 59 9.415 -16.938 5.706 1.00 0.00 H new ATOM 0 HA ASP A 59 8.829 -19.759 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.615 -17.173 7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.338 -18.785 7.899 1.00 0.00 H new ATOM 958 N TRP A 60 7.408 -19.223 3.869 1.00 0.00 N ATOM 959 CA TRP A 60 6.358 -19.525 2.898 1.00 0.00 C ATOM 960 C TRP A 60 5.348 -18.381 2.710 1.00 0.00 C ATOM 961 O TRP A 60 4.267 -18.601 2.166 1.00 0.00 O ATOM 962 CB TRP A 60 5.661 -20.847 3.257 1.00 0.00 C ATOM 963 CG TRP A 60 6.567 -22.015 3.515 1.00 0.00 C ATOM 964 CD1 TRP A 60 7.174 -22.282 4.692 1.00 0.00 C ATOM 965 CD2 TRP A 60 6.980 -23.083 2.609 1.00 0.00 C ATOM 966 NE1 TRP A 60 7.949 -23.417 4.582 1.00 0.00 N ATOM 967 CE2 TRP A 60 7.860 -23.956 3.315 1.00 0.00 C ATOM 968 CE3 TRP A 60 6.699 -23.410 1.264 1.00 0.00 C ATOM 969 CZ2 TRP A 60 8.438 -25.086 2.717 1.00 0.00 C ATOM 970 CZ3 TRP A 60 7.260 -24.551 0.658 1.00 0.00 C ATOM 971 CH2 TRP A 60 8.133 -25.384 1.379 1.00 0.00 C ATOM 0 H TRP A 60 8.344 -19.287 3.469 1.00 0.00 H new ATOM 0 HA TRP A 60 6.847 -19.638 1.930 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.049 -20.684 4.144 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.983 -21.110 2.445 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.068 -21.691 5.590 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.513 -23.807 5.337 1.00 0.00 H new ATOM 0 HE3 TRP A 60 6.042 -22.774 0.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.109 -25.719 3.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 7.018 -24.787 -0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 60 8.568 -26.251 0.905 1.00 0.00 H new ATOM 982 N SER A 61 5.702 -17.165 3.141 1.00 0.00 N ATOM 983 CA SER A 61 4.902 -15.960 2.987 1.00 0.00 C ATOM 984 C SER A 61 5.319 -15.273 1.684 1.00 0.00 C ATOM 985 O SER A 61 6.014 -15.881 0.875 1.00 0.00 O ATOM 986 CB SER A 61 5.126 -15.073 4.221 1.00 0.00 C ATOM 987 OG SER A 61 4.746 -15.772 5.387 1.00 0.00 O ATOM 0 H SER A 61 6.585 -16.994 3.622 1.00 0.00 H new ATOM 0 HA SER A 61 3.836 -16.178 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.174 -14.782 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.545 -14.155 4.131 1.00 0.00 H new ATOM 0 HG SER A 61 4.892 -15.203 6.172 1.00 0.00 H new ATOM 993 N PHE A 62 4.905 -14.018 1.477 1.00 0.00 N ATOM 994 CA PHE A 62 5.321 -13.190 0.352 1.00 0.00 C ATOM 995 C PHE A 62 4.866 -11.768 0.658 1.00 0.00 C ATOM 996 O PHE A 62 3.686 -11.571 0.950 1.00 0.00 O ATOM 997 CB PHE A 62 4.738 -13.710 -0.972 1.00 0.00 C ATOM 998 CG PHE A 62 5.762 -13.851 -2.075 1.00 0.00 C ATOM 999 CD1 PHE A 62 6.065 -12.766 -2.912 1.00 0.00 C ATOM 1000 CD2 PHE A 62 6.485 -15.050 -2.204 1.00 0.00 C ATOM 1001 CE1 PHE A 62 7.097 -12.885 -3.856 1.00 0.00 C ATOM 1002 CE2 PHE A 62 7.548 -15.150 -3.111 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.867 -14.058 -3.929 1.00 0.00 C ATOM 0 H PHE A 62 4.256 -13.544 2.105 1.00 0.00 H new ATOM 0 HA PHE A 62 6.403 -13.220 0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.270 -14.679 -0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.952 -13.032 -1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.507 -11.845 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.218 -15.903 -1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.301 -12.068 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.119 -16.064 -3.179 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.701 -14.118 -4.613 1.00 0.00 H new ATOM 1013 N TYR A 63 5.780 -10.786 0.652 1.00 0.00 N ATOM 1014 CA TYR A 63 5.390 -9.432 1.009 1.00 0.00 C ATOM 1015 C TYR A 63 6.431 -8.424 0.536 1.00 0.00 C ATOM 1016 O TYR A 63 7.500 -8.789 0.049 1.00 0.00 O ATOM 1017 CB TYR A 63 5.233 -9.292 2.521 1.00 0.00 C ATOM 1018 CG TYR A 63 6.385 -9.736 3.374 1.00 0.00 C ATOM 1019 CD1 TYR A 63 7.320 -8.769 3.775 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.395 -11.015 3.949 1.00 0.00 C ATOM 1021 CE1 TYR A 63 8.254 -9.066 4.775 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.341 -11.320 4.936 1.00 0.00 C ATOM 1023 CZ TYR A 63 8.264 -10.345 5.362 1.00 0.00 C ATOM 1024 OH TYR A 63 9.153 -10.637 6.355 1.00 0.00 O ATOM 0 H TYR A 63 6.764 -10.906 0.410 1.00 0.00 H new ATOM 0 HA TYR A 63 4.436 -9.231 0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.032 -8.244 2.744 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.351 -9.857 2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.319 -7.794 3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.679 -11.759 3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.963 -8.317 5.094 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.363 -12.308 5.373 1.00 0.00 H new ATOM 0 HH TYR A 63 8.763 -11.305 6.957 1.00 0.00 H new ATOM 1034 N LEU A 64 6.098 -7.144 0.719 1.00 0.00 N ATOM 1035 CA LEU A 64 6.901 -5.992 0.337 1.00 0.00 C ATOM 1036 C LEU A 64 6.229 -4.753 0.925 1.00 0.00 C ATOM 1037 O LEU A 64 5.026 -4.764 1.181 1.00 0.00 O ATOM 1038 CB LEU A 64 7.131 -5.891 -1.192 1.00 0.00 C ATOM 1039 CG LEU A 64 5.890 -5.679 -2.079 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.208 -5.767 -3.580 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.807 -6.727 -1.847 1.00 0.00 C ATOM 0 H LEU A 64 5.218 -6.876 1.159 1.00 0.00 H new ATOM 0 HA LEU A 64 7.908 -6.093 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.822 -5.068 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.628 -6.804 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 64 5.548 -4.683 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.296 -5.610 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.939 -5.002 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.616 -6.752 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.959 -6.524 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.206 -7.717 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.481 -6.690 -0.807 1.00 0.00 H new ATOM 1053 N LEU A 65 7.021 -3.713 1.191 1.00 0.00 N ATOM 1054 CA LEU A 65 6.598 -2.461 1.790 1.00 0.00 C ATOM 1055 C LEU A 65 6.704 -1.383 0.713 1.00 0.00 C ATOM 1056 O LEU A 65 7.730 -1.313 0.043 1.00 0.00 O ATOM 1057 CB LEU A 65 7.529 -2.188 2.975 1.00 0.00 C ATOM 1058 CG LEU A 65 6.854 -1.433 4.120 1.00 0.00 C ATOM 1059 CD1 LEU A 65 7.915 -1.153 5.182 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.216 -0.129 3.646 1.00 0.00 C ATOM 0 H LEU A 65 8.019 -3.729 0.982 1.00 0.00 H new ATOM 0 HA LEU A 65 5.571 -2.483 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.912 -3.136 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.387 -1.613 2.627 1.00 0.00 H new ATOM 0 HG LEU A 65 6.048 -2.043 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.463 -0.614 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.328 -2.096 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.713 -0.549 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.748 0.375 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.983 0.517 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.461 -0.347 2.890 1.00 0.00 H new ATOM 1072 N TYR A 66 5.643 -0.589 0.515 1.00 0.00 N ATOM 1073 CA TYR A 66 5.470 0.254 -0.657 1.00 0.00 C ATOM 1074 C TYR A 66 5.119 1.671 -0.196 1.00 0.00 C ATOM 1075 O TYR A 66 3.989 1.915 0.230 1.00 0.00 O ATOM 1076 CB TYR A 66 4.344 -0.299 -1.561 1.00 0.00 C ATOM 1077 CG TYR A 66 4.191 -1.806 -1.722 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.698 -2.568 -0.642 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.143 -2.361 -3.017 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.089 -3.809 -0.863 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.479 -3.580 -3.242 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.884 -4.262 -2.170 1.00 0.00 C ATOM 1083 OH TYR A 66 2.108 -5.360 -2.386 1.00 0.00 O ATOM 0 H TYR A 66 4.873 -0.519 1.180 1.00 0.00 H new ATOM 0 HA TYR A 66 6.395 0.267 -1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.399 0.088 -1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.484 0.124 -2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.791 -2.190 0.365 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.618 -1.848 -3.840 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.778 -4.416 -0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.427 -3.991 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 66 1.962 -5.473 -3.348 1.00 0.00 H new ATOM 1093 N TYR A 67 6.097 2.584 -0.236 1.00 0.00 N ATOM 1094 CA TYR A 67 5.981 3.888 0.409 1.00 0.00 C ATOM 1095 C TYR A 67 6.232 5.063 -0.534 1.00 0.00 C ATOM 1096 O TYR A 67 6.946 4.955 -1.530 1.00 0.00 O ATOM 1097 CB TYR A 67 6.868 3.973 1.665 1.00 0.00 C ATOM 1098 CG TYR A 67 8.151 3.166 1.683 1.00 0.00 C ATOM 1099 CD1 TYR A 67 8.978 3.135 0.551 1.00 0.00 C ATOM 1100 CD2 TYR A 67 8.523 2.447 2.832 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.138 2.346 0.535 1.00 0.00 C ATOM 1102 CE2 TYR A 67 9.706 1.686 2.832 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.505 1.620 1.678 1.00 0.00 C ATOM 1104 OH TYR A 67 11.634 0.854 1.664 1.00 0.00 O ATOM 0 H TYR A 67 6.985 2.436 -0.715 1.00 0.00 H new ATOM 0 HA TYR A 67 4.940 3.976 0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.129 5.020 1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.267 3.665 2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.720 3.724 -0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.901 2.479 3.714 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.747 2.298 -0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.001 1.150 3.722 1.00 0.00 H new ATOM 0 HH TYR A 67 11.744 0.418 2.535 1.00 0.00 H new ATOM 1114 N THR A 68 5.614 6.193 -0.184 1.00 0.00 N ATOM 1115 CA THR A 68 5.649 7.428 -0.965 1.00 0.00 C ATOM 1116 C THR A 68 5.726 8.646 -0.038 1.00 0.00 C ATOM 1117 O THR A 68 5.049 8.678 0.989 1.00 0.00 O ATOM 1118 CB THR A 68 4.431 7.506 -1.903 1.00 0.00 C ATOM 1119 OG1 THR A 68 4.542 8.656 -2.717 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.089 7.544 -1.170 1.00 0.00 C ATOM 0 H THR A 68 5.063 6.275 0.670 1.00 0.00 H new ATOM 0 HA THR A 68 6.545 7.427 -1.586 1.00 0.00 H new ATOM 0 HB THR A 68 4.440 6.592 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.179 8.484 -3.441 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.279 7.599 -1.897 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.977 6.642 -0.569 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.054 8.419 -0.521 1.00 0.00 H new ATOM 1128 N GLU A 69 6.526 9.653 -0.407 1.00 0.00 N ATOM 1129 CA GLU A 69 6.690 10.890 0.346 1.00 0.00 C ATOM 1130 C GLU A 69 5.559 11.878 0.023 1.00 0.00 C ATOM 1131 O GLU A 69 5.766 12.868 -0.678 1.00 0.00 O ATOM 1132 CB GLU A 69 8.089 11.479 0.095 1.00 0.00 C ATOM 1133 CG GLU A 69 8.510 11.552 -1.381 1.00 0.00 C ATOM 1134 CD GLU A 69 9.841 12.282 -1.508 1.00 0.00 C ATOM 1135 OE1 GLU A 69 10.853 11.693 -1.074 1.00 0.00 O ATOM 1136 OE2 GLU A 69 9.825 13.416 -2.037 1.00 0.00 O ATOM 0 H GLU A 69 7.088 9.624 -1.258 1.00 0.00 H new ATOM 0 HA GLU A 69 6.618 10.678 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.124 12.483 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.821 10.880 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.597 10.547 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.745 12.069 -1.961 1.00 0.00 H new ATOM 1143 N PHE A 70 4.352 11.604 0.533 1.00 0.00 N ATOM 1144 CA PHE A 70 3.156 12.384 0.226 1.00 0.00 C ATOM 1145 C PHE A 70 3.016 13.610 1.122 1.00 0.00 C ATOM 1146 O PHE A 70 3.456 13.604 2.267 1.00 0.00 O ATOM 1147 CB PHE A 70 1.879 11.544 0.352 1.00 0.00 C ATOM 1148 CG PHE A 70 1.330 11.408 1.761 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.088 10.738 2.733 1.00 0.00 C ATOM 1150 CD2 PHE A 70 0.182 12.117 2.160 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.691 10.738 4.078 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.076 12.287 3.525 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.671 11.597 4.490 1.00 0.00 C ATOM 0 H PHE A 70 4.181 10.829 1.174 1.00 0.00 H new ATOM 0 HA PHE A 70 3.280 12.710 -0.807 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.109 11.986 -0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.079 10.547 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.988 10.216 2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.492 12.525 1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.170 10.080 4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.861 12.959 3.839 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.459 11.729 5.541 1.00 0.00 H new ATOM 1163 N THR A 71 2.331 14.629 0.600 1.00 0.00 N ATOM 1164 CA THR A 71 2.002 15.863 1.301 1.00 0.00 C ATOM 1165 C THR A 71 0.469 15.991 1.363 1.00 0.00 C ATOM 1166 O THR A 71 -0.152 16.181 0.318 1.00 0.00 O ATOM 1167 CB THR A 71 2.644 17.043 0.554 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.033 16.814 0.407 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.434 18.352 1.322 1.00 0.00 C ATOM 0 H THR A 71 1.979 14.613 -0.357 1.00 0.00 H new ATOM 0 HA THR A 71 2.389 15.859 2.320 1.00 0.00 H new ATOM 0 HB THR A 71 2.171 17.126 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.440 17.567 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.897 19.173 0.775 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.366 18.544 1.429 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.889 18.272 2.309 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.162 15.878 2.545 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.611 15.940 2.691 1.00 0.00 C ATOM 1179 C PRO A 72 -2.114 17.371 2.531 1.00 0.00 C ATOM 1180 O PRO A 72 -1.935 18.183 3.430 1.00 0.00 O ATOM 1181 CB PRO A 72 -1.936 15.434 4.100 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.612 15.529 4.862 1.00 0.00 C ATOM 1183 CD PRO A 72 0.494 15.642 3.814 1.00 0.00 C ATOM 0 HA PRO A 72 -2.095 15.334 1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.708 16.042 4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.307 14.409 4.077 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.608 16.396 5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.463 14.650 5.488 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.175 16.458 4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.089 14.730 3.779 1.00 0.00 H new ATOM 1191 N THR A 73 -2.794 17.670 1.422 1.00 0.00 N ATOM 1192 CA THR A 73 -3.503 18.930 1.248 1.00 0.00 C ATOM 1193 C THR A 73 -4.684 19.030 2.221 1.00 0.00 C ATOM 1194 O THR A 73 -5.099 18.034 2.814 1.00 0.00 O ATOM 1195 CB THR A 73 -3.981 19.042 -0.207 1.00 0.00 C ATOM 1196 OG1 THR A 73 -4.687 17.874 -0.577 1.00 0.00 O ATOM 1197 CG2 THR A 73 -2.796 19.240 -1.156 1.00 0.00 C ATOM 0 H THR A 73 -2.866 17.042 0.622 1.00 0.00 H new ATOM 0 HA THR A 73 -2.827 19.756 1.468 1.00 0.00 H new ATOM 0 HB THR A 73 -4.640 19.907 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.989 17.955 -1.506 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.159 19.317 -2.181 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.265 20.154 -0.890 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.118 18.390 -1.074 1.00 0.00 H new ATOM 1205 N GLU A 74 -5.245 20.239 2.352 1.00 0.00 N ATOM 1206 CA GLU A 74 -6.425 20.529 3.162 1.00 0.00 C ATOM 1207 C GLU A 74 -7.609 19.598 2.858 1.00 0.00 C ATOM 1208 O GLU A 74 -8.438 19.360 3.734 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.820 22.002 2.972 1.00 0.00 C ATOM 1210 CG GLU A 74 -7.236 22.324 1.528 1.00 0.00 C ATOM 1211 CD GLU A 74 -7.625 23.789 1.362 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -6.753 24.644 1.627 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -8.786 24.027 0.962 1.00 0.00 O ATOM 0 H GLU A 74 -4.875 21.065 1.881 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.164 20.346 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.643 22.243 3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.981 22.638 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.414 22.088 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.076 21.691 1.242 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.693 19.096 1.618 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.784 18.268 1.126 1.00 0.00 C ATOM 1222 C LYS A 75 -8.218 17.084 0.339 1.00 0.00 C ATOM 1223 O LYS A 75 -8.635 16.819 -0.787 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.753 19.148 0.316 1.00 0.00 C ATOM 1225 CG LYS A 75 -9.122 19.790 -0.933 1.00 0.00 C ATOM 1226 CD LYS A 75 -9.779 21.128 -1.291 1.00 0.00 C ATOM 1227 CE LYS A 75 -11.274 20.993 -1.598 1.00 0.00 C ATOM 1228 NZ LYS A 75 -11.861 22.302 -1.932 1.00 0.00 N ATOM 0 H LYS A 75 -6.976 19.265 0.913 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.357 17.839 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.606 18.543 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.137 19.937 0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.057 19.945 -0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.213 19.105 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.644 21.826 -0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.272 21.556 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.418 20.302 -2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.789 20.568 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.874 22.186 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.742 22.951 -1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.382 22.694 -2.768 1.00 0.00 H new ATOM 1242 N ASP A 76 -7.262 16.364 0.943 1.00 0.00 N ATOM 1243 CA ASP A 76 -6.646 15.197 0.328 1.00 0.00 C ATOM 1244 C ASP A 76 -7.591 13.994 0.401 1.00 0.00 C ATOM 1245 O ASP A 76 -8.610 14.038 1.091 1.00 0.00 O ATOM 1246 CB ASP A 76 -5.288 14.916 0.996 1.00 0.00 C ATOM 1247 CG ASP A 76 -5.391 14.014 2.226 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -5.780 14.538 3.293 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -5.115 12.804 2.070 1.00 0.00 O ATOM 0 H ASP A 76 -6.899 16.581 1.871 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.461 15.392 -0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.623 14.451 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.831 15.862 1.286 1.00 0.00 H new ATOM 1254 N GLU A 77 -7.232 12.904 -0.285 1.00 0.00 N ATOM 1255 CA GLU A 77 -7.833 11.595 -0.080 1.00 0.00 C ATOM 1256 C GLU A 77 -6.837 10.520 -0.507 1.00 0.00 C ATOM 1257 O GLU A 77 -7.121 9.708 -1.386 1.00 0.00 O ATOM 1258 CB GLU A 77 -9.182 11.500 -0.807 1.00 0.00 C ATOM 1259 CG GLU A 77 -10.030 10.362 -0.221 1.00 0.00 C ATOM 1260 CD GLU A 77 -11.415 10.284 -0.855 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -11.485 10.347 -2.101 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -12.385 10.121 -0.081 1.00 0.00 O ATOM 0 H GLU A 77 -6.508 12.913 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.054 11.437 0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.718 12.445 -0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.017 11.328 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.512 9.414 -0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.133 10.506 0.855 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.653 10.524 0.117 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.611 9.565 -0.204 1.00 0.00 C ATOM 1271 C TYR A 78 -5.042 8.157 0.198 1.00 0.00 C ATOM 1272 O TYR A 78 -5.731 7.950 1.197 1.00 0.00 O ATOM 1273 CB TYR A 78 -3.258 9.986 0.382 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.475 10.938 -0.499 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.977 12.228 -0.724 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -1.282 10.538 -1.128 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -2.234 13.163 -1.460 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.567 11.459 -1.915 1.00 0.00 C ATOM 1279 CZ TYR A 78 -1.004 12.790 -2.022 1.00 0.00 C ATOM 1280 OH TYR A 78 -0.254 13.709 -2.696 1.00 0.00 O ATOM 0 H TYR A 78 -5.400 11.188 0.849 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.464 9.549 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.424 10.457 1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.657 9.094 0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.943 12.504 -0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.917 9.529 -1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.608 14.167 -1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.322 11.141 -2.439 1.00 0.00 H new ATOM 0 HH TYR A 78 0.568 13.286 -3.020 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.679 7.206 -0.662 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.194 5.854 -0.691 1.00 0.00 C ATOM 1292 C ALA A 79 -4.186 4.955 -1.400 1.00 0.00 C ATOM 1293 O ALA A 79 -3.210 5.430 -1.983 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.537 5.851 -1.431 1.00 0.00 C ATOM 0 H ALA A 79 -3.984 7.374 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.348 5.480 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.935 4.837 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.240 6.502 -0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.392 6.212 -2.449 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.438 3.646 -1.339 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.583 2.620 -1.906 1.00 0.00 C ATOM 1302 C CYS A 80 -4.449 1.560 -2.572 1.00 0.00 C ATOM 1303 O CYS A 80 -5.241 0.892 -1.908 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.695 2.026 -0.808 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.319 3.116 -0.364 1.00 0.00 S ATOM 0 H CYS A 80 -5.267 3.268 -0.880 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.928 3.047 -2.665 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.300 1.830 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.301 1.067 -1.143 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.273 1.400 -3.888 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.803 0.270 -4.631 1.00 0.00 C ATOM 1312 C ARG A 81 -4.124 -0.991 -4.101 1.00 0.00 C ATOM 1313 O ARG A 81 -2.924 -0.954 -3.846 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.468 0.477 -6.112 1.00 0.00 C ATOM 1315 CG ARG A 81 -5.058 -0.600 -7.026 1.00 0.00 C ATOM 1316 CD ARG A 81 -4.644 -0.379 -8.485 1.00 0.00 C ATOM 1317 NE ARG A 81 -5.152 0.900 -9.003 1.00 0.00 N ATOM 1318 CZ ARG A 81 -5.091 1.299 -10.284 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -4.488 0.545 -11.213 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -5.647 2.466 -10.636 1.00 0.00 N ATOM 0 H ARG A 81 -3.753 2.061 -4.465 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.883 0.178 -4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.838 1.453 -6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.385 0.492 -6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.724 -1.584 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.145 -0.590 -6.949 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.557 -0.398 -8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.021 -1.197 -9.099 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.586 1.536 -8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.067 -0.346 -10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.450 0.862 -12.182 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.111 3.042 -9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.606 2.778 -11.606 1.00 0.00 H new ATOM 1334 N VAL A 82 -4.859 -2.096 -3.934 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.268 -3.386 -3.636 1.00 0.00 C ATOM 1336 C VAL A 82 -4.920 -4.434 -4.530 1.00 0.00 C ATOM 1337 O VAL A 82 -6.113 -4.702 -4.395 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.421 -3.728 -2.146 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -3.761 -5.088 -1.903 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -3.760 -2.663 -1.259 1.00 0.00 C ATOM 0 H VAL A 82 -5.877 -2.112 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.197 -3.362 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.480 -3.759 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.855 -5.355 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.251 -5.845 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.706 -5.033 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.885 -2.934 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.697 -2.603 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.227 -1.696 -1.442 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.127 -5.029 -5.430 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.574 -6.087 -6.318 1.00 0.00 C ATOM 1352 C ASN A 83 -3.531 -7.203 -6.366 1.00 0.00 C ATOM 1353 O ASN A 83 -2.664 -7.196 -7.235 1.00 0.00 O ATOM 1354 CB ASN A 83 -4.821 -5.515 -7.720 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.564 -6.518 -8.595 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.388 -7.277 -8.093 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -5.284 -6.535 -9.897 1.00 0.00 N ATOM 0 H ASN A 83 -3.146 -4.779 -5.556 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.508 -6.505 -5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.399 -4.594 -7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.869 -5.257 -8.184 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.761 -7.194 -10.513 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.593 -5.889 -10.279 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.622 -8.181 -5.457 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.845 -9.409 -5.574 1.00 0.00 C ATOM 1366 C HIS A 84 -3.443 -10.211 -6.738 1.00 0.00 C ATOM 1367 O HIS A 84 -4.605 -10.016 -7.089 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.933 -10.187 -4.260 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.154 -11.475 -4.278 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.812 -12.695 -4.363 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.804 -11.704 -4.262 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.849 -13.612 -4.356 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.621 -13.070 -4.307 1.00 0.00 N ATOM 0 H HIS A 84 -4.226 -8.141 -4.636 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.792 -9.206 -5.768 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.565 -9.559 -3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.979 -10.406 -4.045 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.027 -10.955 -4.222 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.034 -14.676 -4.386 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.269 -13.569 -4.304 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.674 -11.119 -7.340 1.00 0.00 N ATOM 1382 CA VAL A 85 -3.168 -11.948 -8.435 1.00 0.00 C ATOM 1383 C VAL A 85 -4.423 -12.737 -8.038 1.00 0.00 C ATOM 1384 O VAL A 85 -5.322 -12.904 -8.861 1.00 0.00 O ATOM 1385 CB VAL A 85 -2.042 -12.829 -9.007 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.457 -13.812 -7.987 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.504 -13.589 -10.255 1.00 0.00 C ATOM 0 H VAL A 85 -1.703 -11.298 -7.085 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.488 -11.291 -9.244 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.245 -12.137 -9.280 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.669 -14.400 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.042 -13.258 -7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.243 -14.478 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.685 -14.201 -10.633 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.348 -14.230 -9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.809 -12.877 -11.022 1.00 0.00 H new ATOM 1397 N THR A 86 -4.515 -13.185 -6.777 1.00 0.00 N ATOM 1398 CA THR A 86 -5.677 -13.916 -6.287 1.00 0.00 C ATOM 1399 C THR A 86 -6.904 -13.007 -6.122 1.00 0.00 C ATOM 1400 O THR A 86 -8.026 -13.497 -6.229 1.00 0.00 O ATOM 1401 CB THR A 86 -5.326 -14.744 -5.040 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.050 -15.957 -5.043 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.593 -14.020 -3.723 1.00 0.00 C ATOM 0 H THR A 86 -3.786 -13.048 -6.077 1.00 0.00 H new ATOM 0 HA THR A 86 -5.973 -14.640 -7.047 1.00 0.00 H new ATOM 0 HB THR A 86 -4.253 -14.925 -5.098 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.954 -15.798 -5.387 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.321 -14.668 -2.890 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.998 -13.107 -3.682 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.651 -13.767 -3.655 1.00 0.00 H new ATOM 1411 N LEU A 87 -6.713 -11.692 -5.912 1.00 0.00 N ATOM 1412 CA LEU A 87 -7.805 -10.733 -6.033 1.00 0.00 C ATOM 1413 C LEU A 87 -8.202 -10.625 -7.502 1.00 0.00 C ATOM 1414 O LEU A 87 -9.346 -10.912 -7.849 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.404 -9.347 -5.497 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.781 -9.112 -4.031 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -7.135 -10.148 -3.109 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.335 -7.703 -3.615 1.00 0.00 C ATOM 0 H LEU A 87 -5.815 -11.279 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.646 -11.085 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.327 -9.224 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.878 -8.581 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.862 -9.210 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.426 -9.949 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.468 -11.146 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.050 -10.088 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.601 -7.530 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.255 -7.613 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.832 -6.964 -4.243 1.00 0.00 H new ATOM 1430 N SER A 88 -7.276 -10.139 -8.340 1.00 0.00 N ATOM 1431 CA SER A 88 -7.493 -9.757 -9.735 1.00 0.00 C ATOM 1432 C SER A 88 -8.307 -8.460 -9.866 1.00 0.00 C ATOM 1433 O SER A 88 -8.019 -7.651 -10.747 1.00 0.00 O ATOM 1434 CB SER A 88 -8.079 -10.913 -10.558 1.00 0.00 C ATOM 1435 OG SER A 88 -7.962 -10.635 -11.938 1.00 0.00 O ATOM 0 H SER A 88 -6.310 -9.996 -8.046 1.00 0.00 H new ATOM 0 HA SER A 88 -6.514 -9.539 -10.162 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.557 -11.840 -10.320 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.127 -11.061 -10.297 1.00 0.00 H new ATOM 0 HG SER A 88 -8.337 -11.379 -12.454 1.00 0.00 H new ATOM 1441 N GLN A 89 -9.284 -8.237 -8.975 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.057 -7.009 -8.877 1.00 0.00 C ATOM 1443 C GLN A 89 -9.397 -6.097 -7.833 1.00 0.00 C ATOM 1444 O GLN A 89 -9.231 -6.524 -6.691 1.00 0.00 O ATOM 1445 CB GLN A 89 -11.491 -7.340 -8.451 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.188 -8.267 -9.455 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.647 -8.506 -9.075 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -14.552 -8.178 -9.838 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -13.882 -9.078 -7.892 1.00 0.00 N ATOM 0 H GLN A 89 -9.560 -8.935 -8.284 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.085 -6.503 -9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.478 -7.813 -7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.062 -6.417 -8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.137 -7.829 -10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.661 -9.220 -9.498 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.103 -9.336 -7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.841 -9.257 -7.594 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.016 -4.858 -8.182 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.284 -3.974 -7.289 1.00 0.00 C ATOM 1460 C PRO A 90 -9.169 -3.464 -6.150 1.00 0.00 C ATOM 1461 O PRO A 90 -10.113 -2.709 -6.380 1.00 0.00 O ATOM 1462 CB PRO A 90 -7.785 -2.828 -8.173 1.00 0.00 C ATOM 1463 CG PRO A 90 -8.799 -2.777 -9.312 1.00 0.00 C ATOM 1464 CD PRO A 90 -9.193 -4.242 -9.487 1.00 0.00 C ATOM 0 HA PRO A 90 -7.458 -4.492 -6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.751 -1.886 -7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.777 -3.018 -8.543 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.658 -2.155 -9.060 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.363 -2.365 -10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.225 -4.332 -9.825 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.569 -4.728 -10.237 1.00 0.00 H new ATOM 1472 N LYS A 91 -8.833 -3.859 -4.917 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.471 -3.384 -3.702 1.00 0.00 C ATOM 1474 C LYS A 91 -8.727 -2.135 -3.232 1.00 0.00 C ATOM 1475 O LYS A 91 -7.574 -2.226 -2.812 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.442 -4.498 -2.648 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.161 -4.064 -1.364 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.234 -5.227 -0.369 1.00 0.00 C ATOM 1479 CE LYS A 91 -10.982 -4.798 0.898 1.00 0.00 C ATOM 1480 NZ LYS A 91 -11.037 -5.888 1.888 1.00 0.00 N ATOM 0 H LYS A 91 -8.090 -4.535 -4.741 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.515 -3.123 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.916 -5.394 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.409 -4.759 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.634 -3.224 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.167 -3.719 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.740 -6.076 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.228 -5.557 -0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.489 -3.931 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.995 -4.490 0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.550 -5.564 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.530 -6.706 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.070 -6.164 2.154 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.379 -0.969 -3.313 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.779 0.299 -2.935 1.00 0.00 C ATOM 1496 C ILE A 92 -8.994 0.522 -1.437 1.00 0.00 C ATOM 1497 O ILE A 92 -10.130 0.470 -0.968 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.370 1.459 -3.758 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.612 1.133 -5.244 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.442 2.672 -3.618 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.377 0.612 -5.980 1.00 0.00 C ATOM 0 H ILE A 92 -10.340 -0.887 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.710 0.269 -3.146 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.361 1.666 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.405 0.389 -5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.970 2.031 -5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.843 3.506 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.372 2.957 -2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.450 2.417 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.633 0.407 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.587 1.362 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.030 -0.305 -5.504 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.909 0.774 -0.695 1.00 0.00 N ATOM 1514 CA VAL A 93 -7.940 1.076 0.730 1.00 0.00 C ATOM 1515 C VAL A 93 -7.556 2.543 0.920 1.00 0.00 C ATOM 1516 O VAL A 93 -6.416 2.923 0.661 1.00 0.00 O ATOM 1517 CB VAL A 93 -6.997 0.125 1.490 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -6.923 0.489 2.980 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.498 -1.320 1.363 1.00 0.00 C ATOM 0 H VAL A 93 -6.966 0.772 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.940 0.923 1.137 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.004 0.222 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.250 -0.200 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.550 1.507 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.917 0.418 3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.826 -1.987 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.500 -1.396 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.524 -1.605 0.311 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.509 3.360 1.385 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.265 4.748 1.748 1.00 0.00 C ATOM 1531 C LYS A 94 -7.497 4.796 3.068 1.00 0.00 C ATOM 1532 O LYS A 94 -7.861 4.110 4.022 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.590 5.513 1.858 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.256 5.670 0.486 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.538 6.503 0.595 1.00 0.00 C ATOM 1536 CE LYS A 94 -12.116 6.763 -0.800 1.00 0.00 C ATOM 1537 NZ LYS A 94 -13.341 7.578 -0.737 1.00 0.00 N ATOM 0 H LYS A 94 -9.477 3.067 1.518 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.667 5.227 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.263 4.985 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.410 6.496 2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.564 6.149 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.489 4.688 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.271 5.979 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.325 7.450 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.372 7.271 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.335 5.813 -1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.760 7.649 -1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.022 7.132 -0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.107 8.530 -0.390 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.434 5.605 3.114 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.604 5.778 4.297 1.00 0.00 C ATOM 1553 C TRP A 95 -6.279 6.768 5.252 1.00 0.00 C ATOM 1554 O TRP A 95 -6.699 7.851 4.842 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.207 6.240 3.863 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.375 6.955 4.883 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.903 6.471 6.054 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -2.981 8.353 4.851 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.250 7.474 6.748 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.319 8.677 6.069 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.139 9.382 3.905 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -1.927 9.992 6.372 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.724 10.692 4.182 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.190 11.007 5.442 1.00 0.00 C ATOM 0 H TRP A 95 -6.127 6.163 2.317 1.00 0.00 H new ATOM 0 HA TRP A 95 -5.490 4.836 4.834 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.651 5.365 3.527 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.321 6.896 3.000 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.019 5.453 6.396 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.779 7.343 7.643 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.588 9.159 2.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.432 10.217 7.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.815 11.459 3.427 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -1.981 12.036 5.695 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.369 6.382 6.529 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.877 7.204 7.622 1.00 0.00 C ATOM 1577 C ASP A 96 -5.938 8.383 7.890 1.00 0.00 C ATOM 1578 O ASP A 96 -4.880 8.479 7.285 1.00 0.00 O ATOM 1579 CB ASP A 96 -7.005 6.327 8.874 1.00 0.00 C ATOM 1580 CG ASP A 96 -5.640 5.818 9.337 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -5.135 4.878 8.684 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -5.121 6.390 10.319 1.00 0.00 O ATOM 0 H ASP A 96 -6.078 5.454 6.837 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.852 7.609 7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.473 6.899 9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.659 5.481 8.663 1.00 0.00 H new ATOM 1587 N ARG A 97 -6.311 9.282 8.804 1.00 0.00 N ATOM 1588 CA ARG A 97 -5.457 10.377 9.240 1.00 0.00 C ATOM 1589 C ARG A 97 -5.501 10.425 10.764 1.00 0.00 C ATOM 1590 O ARG A 97 -6.478 10.902 11.341 1.00 0.00 O ATOM 1591 CB ARG A 97 -5.926 11.719 8.653 1.00 0.00 C ATOM 1592 CG ARG A 97 -5.415 12.022 7.237 1.00 0.00 C ATOM 1593 CD ARG A 97 -6.067 11.169 6.143 1.00 0.00 C ATOM 1594 NE ARG A 97 -6.476 11.998 5.006 1.00 0.00 N ATOM 1595 CZ ARG A 97 -7.428 11.659 4.126 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -7.840 10.389 4.004 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -7.971 12.621 3.377 1.00 0.00 N ATOM 0 H ARG A 97 -7.222 9.266 9.263 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.439 10.209 8.888 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.016 11.732 8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.606 12.521 9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.591 13.075 7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.336 11.867 7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.367 10.404 5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.935 10.650 6.550 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.004 12.893 4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.427 9.661 4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.566 10.151 3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.659 13.586 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.698 12.391 2.699 1.00 0.00 H new ATOM 1611 N ASP A 98 -4.417 9.977 11.405 1.00 0.00 N ATOM 1612 CA ASP A 98 -4.159 10.162 12.826 1.00 0.00 C ATOM 1613 C ASP A 98 -3.645 11.591 13.036 1.00 0.00 C ATOM 1614 O ASP A 98 -2.510 11.797 13.457 1.00 0.00 O ATOM 1615 CB ASP A 98 -3.159 9.089 13.287 1.00 0.00 C ATOM 1616 CG ASP A 98 -2.838 9.178 14.778 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -3.804 9.232 15.569 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -1.630 9.179 15.102 1.00 0.00 O ATOM 0 H ASP A 98 -3.676 9.461 10.930 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.060 10.043 13.427 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.565 8.102 13.066 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.237 9.189 12.715 1.00 0.00 H new ATOM 1623 N MET A 99 -4.492 12.568 12.689 1.00 0.00 N ATOM 1624 CA MET A 99 -4.202 13.996 12.684 1.00 0.00 C ATOM 1625 C MET A 99 -5.028 14.687 13.770 1.00 0.00 C ATOM 1626 O MET A 99 -6.258 14.462 13.782 1.00 0.00 O ATOM 1627 CB MET A 99 -4.523 14.553 11.288 1.00 0.00 C ATOM 1628 CG MET A 99 -4.223 16.050 11.130 1.00 0.00 C ATOM 1629 SD MET A 99 -4.585 16.695 9.475 1.00 0.00 S ATOM 1630 CE MET A 99 -4.062 18.415 9.694 1.00 0.00 C ATOM 1631 OXT MET A 99 -4.416 15.436 14.563 1.00 0.00 O ATOM 0 H MET A 99 -5.446 12.367 12.390 1.00 0.00 H new ATOM 0 HA MET A 99 -3.150 14.180 12.900 1.00 0.00 H new ATOM 0 HB2 MET A 99 -3.950 13.998 10.546 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.577 14.379 11.072 1.00 0.00 H new ATOM 0 HG2 MET A 99 -4.806 16.608 11.863 1.00 0.00 H new ATOM 0 HG3 MET A 99 -3.172 16.227 11.357 1.00 0.00 H new ATOM 0 HE1 MET A 99 -4.216 18.963 8.765 1.00 0.00 H new ATOM 0 HE2 MET A 99 -4.649 18.875 10.489 1.00 0.00 H new ATOM 0 HE3 MET A 99 -3.005 18.443 9.961 1.00 0.00 H new TER 1641 MET A 99