USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 855 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 45 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.133) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 GLN : amide:sc= -1.1 X(o=-6.6,f=-6.3) USER MOD Set 2.2: A 32 MET CE :methyl 177:sc= -1.77 (180deg=-1.85) USER MOD Set 2.3: A 80 GLN : amide:sc= -3.71! C(o=-6.6!,f=-6.2!) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0162) USER MOD Set 3.2: A 8 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.56) USER MOD Single : A 1 ALA N :NH3+ 133:sc= 0.00916 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -170:sc= -0.12 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -45:sc= 0.47 USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0.00972 (180deg=0.00199) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= -0.19 (180deg=-0.221) USER MOD Single : A 26 MET CE :methyl -125:sc= -1.81 (180deg=-4.53!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.0344 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.723 K(o=-0.72,f=-2.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= -0.602 (180deg=-0.713) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.458 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0.473 (180deg=0.471) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -171:sc= -1.55 (180deg=-1.74) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.257 F(o=-0.96,f=-0.26) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 0.614 (180deg=0.612) USER MOD Single : A 82 THR OG1 : rot 103:sc= -0.853 USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 0.149 (180deg=0.131) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= -0.677 USER MOD Single : A 93 TYR OH : rot 51:sc= 0.815 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl -120:sc= -0.0524 (180deg=-2.35!) USER MOD Single : A 100 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.707 13.009 -10.894 1.00 0.00 N ATOM 2 CA ALA A 1 13.788 12.455 -11.933 1.00 0.00 C ATOM 3 C ALA A 1 13.586 13.485 -13.052 1.00 0.00 C ATOM 4 O ALA A 1 13.473 14.673 -12.802 1.00 0.00 O ATOM 5 CB ALA A 1 12.436 12.120 -11.297 1.00 0.00 C ATOM 0 H1 ALA A 1 14.304 12.843 -9.950 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.632 12.539 -10.963 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.826 14.031 -11.045 1.00 0.00 H new ATOM 0 HA ALA A 1 14.227 11.550 -12.352 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.767 11.716 -12.057 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.578 11.381 -10.508 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.999 13.024 -10.873 1.00 0.00 H new ATOM 13 N THR A 2 13.540 13.033 -14.283 1.00 0.00 N ATOM 14 CA THR A 2 13.344 13.974 -15.435 1.00 0.00 C ATOM 15 C THR A 2 11.863 14.365 -15.546 1.00 0.00 C ATOM 16 O THR A 2 11.020 13.863 -14.821 1.00 0.00 O ATOM 17 CB THR A 2 13.794 13.300 -16.742 1.00 0.00 C ATOM 18 OG1 THR A 2 13.033 12.115 -16.963 1.00 0.00 O ATOM 19 CG2 THR A 2 15.284 12.953 -16.660 1.00 0.00 C ATOM 0 H THR A 2 13.630 12.050 -14.541 1.00 0.00 H new ATOM 0 HA THR A 2 13.942 14.870 -15.265 1.00 0.00 H new ATOM 0 HB THR A 2 13.632 13.987 -17.572 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.425 11.608 -17.705 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.598 12.476 -17.588 1.00 0.00 H new ATOM 0 HG22 THR A 2 15.862 13.864 -16.507 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.454 12.272 -15.826 1.00 0.00 H new ATOM 27 N SER A 3 11.541 15.256 -16.457 1.00 0.00 N ATOM 28 CA SER A 3 10.122 15.686 -16.631 1.00 0.00 C ATOM 29 C SER A 3 9.465 14.881 -17.767 1.00 0.00 C ATOM 30 O SER A 3 8.570 15.357 -18.444 1.00 0.00 O ATOM 31 CB SER A 3 10.080 17.184 -16.957 1.00 0.00 C ATOM 32 OG SER A 3 10.357 17.928 -15.777 1.00 0.00 O ATOM 0 H SER A 3 12.206 15.703 -17.088 1.00 0.00 H new ATOM 0 HA SER A 3 9.572 15.502 -15.708 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.811 17.421 -17.730 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.100 17.455 -17.351 1.00 0.00 H new ATOM 0 HG SER A 3 10.333 18.886 -15.981 1.00 0.00 H new ATOM 38 N THR A 4 9.899 13.659 -17.967 1.00 0.00 N ATOM 39 CA THR A 4 9.310 12.801 -19.044 1.00 0.00 C ATOM 40 C THR A 4 9.164 11.349 -18.541 1.00 0.00 C ATOM 41 O THR A 4 8.970 10.433 -19.322 1.00 0.00 O ATOM 42 CB THR A 4 10.223 12.846 -20.281 1.00 0.00 C ATOM 43 OG1 THR A 4 9.560 12.237 -21.382 1.00 0.00 O ATOM 44 CG2 THR A 4 11.535 12.106 -19.998 1.00 0.00 C ATOM 0 H THR A 4 10.642 13.216 -17.426 1.00 0.00 H new ATOM 0 HA THR A 4 8.322 13.176 -19.311 1.00 0.00 H new ATOM 0 HB THR A 4 10.448 13.886 -20.518 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.138 11.403 -21.089 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.173 12.145 -20.881 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.046 12.580 -19.160 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.320 11.066 -19.751 1.00 0.00 H new ATOM 52 N LYS A 5 9.249 11.135 -17.244 1.00 0.00 N ATOM 53 CA LYS A 5 9.114 9.752 -16.690 1.00 0.00 C ATOM 54 C LYS A 5 7.628 9.378 -16.557 1.00 0.00 C ATOM 55 O LYS A 5 6.746 10.148 -16.901 1.00 0.00 O ATOM 56 CB LYS A 5 9.792 9.683 -15.318 1.00 0.00 C ATOM 57 CG LYS A 5 10.690 8.444 -15.248 1.00 0.00 C ATOM 58 CD LYS A 5 12.145 8.848 -15.501 1.00 0.00 C ATOM 59 CE LYS A 5 12.768 9.367 -14.202 1.00 0.00 C ATOM 60 NZ LYS A 5 14.249 9.455 -14.356 1.00 0.00 N ATOM 0 H LYS A 5 9.406 11.863 -16.548 1.00 0.00 H new ATOM 0 HA LYS A 5 9.594 9.047 -17.368 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.383 10.583 -15.148 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.039 9.643 -14.531 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.598 7.971 -14.270 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.372 7.710 -15.988 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.711 7.993 -15.871 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.190 9.618 -16.271 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.359 10.347 -13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.517 8.702 -13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.680 9.693 -13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.619 8.540 -14.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.483 10.193 -15.050 1.00 0.00 H new ATOM 74 N LYS A 6 7.355 8.186 -16.079 1.00 0.00 N ATOM 75 CA LYS A 6 5.937 7.713 -15.935 1.00 0.00 C ATOM 76 C LYS A 6 5.918 6.324 -15.271 1.00 0.00 C ATOM 77 O LYS A 6 5.019 6.007 -14.513 1.00 0.00 O ATOM 78 CB LYS A 6 5.264 7.633 -17.318 1.00 0.00 C ATOM 79 CG LYS A 6 6.030 6.672 -18.240 1.00 0.00 C ATOM 80 CD LYS A 6 7.403 7.261 -18.578 1.00 0.00 C ATOM 81 CE LYS A 6 7.855 6.765 -19.954 1.00 0.00 C ATOM 82 NZ LYS A 6 7.622 7.831 -20.971 1.00 0.00 N ATOM 0 H LYS A 6 8.060 7.513 -15.779 1.00 0.00 H new ATOM 0 HA LYS A 6 5.389 8.420 -15.312 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.234 7.295 -17.208 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.227 8.625 -17.768 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.149 5.704 -17.753 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.462 6.501 -19.155 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.353 8.350 -18.572 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.130 6.971 -17.820 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.912 6.499 -19.927 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.306 5.863 -20.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.094 7.571 -21.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.601 7.934 -21.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.008 8.732 -20.624 1.00 0.00 H new ATOM 96 N LEU A 7 6.904 5.502 -15.550 1.00 0.00 N ATOM 97 CA LEU A 7 6.963 4.143 -14.939 1.00 0.00 C ATOM 98 C LEU A 7 8.435 3.808 -14.652 1.00 0.00 C ATOM 99 O LEU A 7 9.137 3.261 -15.485 1.00 0.00 O ATOM 100 CB LEU A 7 6.354 3.117 -15.908 1.00 0.00 C ATOM 101 CG LEU A 7 4.819 3.183 -15.855 1.00 0.00 C ATOM 102 CD1 LEU A 7 4.233 2.151 -16.819 1.00 0.00 C ATOM 103 CD2 LEU A 7 4.321 2.878 -14.435 1.00 0.00 C ATOM 0 H LEU A 7 7.675 5.721 -16.181 1.00 0.00 H new ATOM 0 HA LEU A 7 6.394 4.115 -14.010 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.699 3.315 -16.923 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.691 2.114 -15.647 1.00 0.00 H new ATOM 0 HG LEU A 7 4.501 4.186 -16.139 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.145 2.196 -16.783 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.572 2.366 -17.832 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.564 1.154 -16.530 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.232 2.928 -14.413 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.644 1.879 -14.143 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.732 3.610 -13.740 1.00 0.00 H new ATOM 115 N HIS A 8 8.909 4.163 -13.477 1.00 0.00 N ATOM 116 CA HIS A 8 10.340 3.906 -13.113 1.00 0.00 C ATOM 117 C HIS A 8 10.493 2.529 -12.440 1.00 0.00 C ATOM 118 O HIS A 8 9.658 1.659 -12.586 1.00 0.00 O ATOM 119 CB HIS A 8 10.815 5.011 -12.159 1.00 0.00 C ATOM 120 CG HIS A 8 12.213 5.433 -12.528 1.00 0.00 C ATOM 121 ND1 HIS A 8 12.567 5.771 -13.825 1.00 0.00 N ATOM 122 CD2 HIS A 8 13.357 5.566 -11.781 1.00 0.00 C ATOM 123 CE1 HIS A 8 13.874 6.088 -13.818 1.00 0.00 C ATOM 124 NE2 HIS A 8 14.405 5.979 -12.597 1.00 0.00 N ATOM 0 H HIS A 8 8.360 4.623 -12.751 1.00 0.00 H new ATOM 0 HA HIS A 8 10.946 3.909 -14.019 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.141 5.866 -12.212 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.793 4.651 -11.130 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.432 5.378 -10.720 1.00 0.00 H new ATOM 0 HE1 HIS A 8 14.427 6.394 -14.694 1.00 0.00 H new ATOM 0 HE2 HIS A 8 15.371 6.160 -12.322 1.00 0.00 H new ATOM 132 N LYS A 9 11.570 2.324 -11.713 1.00 0.00 N ATOM 133 CA LYS A 9 11.801 1.011 -11.033 1.00 0.00 C ATOM 134 C LYS A 9 12.959 1.153 -10.032 1.00 0.00 C ATOM 135 O LYS A 9 14.016 1.664 -10.359 1.00 0.00 O ATOM 136 CB LYS A 9 12.139 -0.070 -12.077 1.00 0.00 C ATOM 137 CG LYS A 9 13.059 0.501 -13.167 1.00 0.00 C ATOM 138 CD LYS A 9 14.509 0.092 -12.889 1.00 0.00 C ATOM 139 CE LYS A 9 15.001 -0.848 -13.993 1.00 0.00 C ATOM 140 NZ LYS A 9 15.555 -0.047 -15.123 1.00 0.00 N ATOM 0 H LYS A 9 12.303 3.018 -11.562 1.00 0.00 H new ATOM 0 HA LYS A 9 10.897 0.715 -10.501 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.625 -0.915 -11.589 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.221 -0.447 -12.529 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.749 0.134 -14.146 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.977 1.588 -13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.144 0.977 -12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.578 -0.402 -11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.766 -1.518 -13.600 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.180 -1.473 -14.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.889 -0.687 -15.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.814 0.575 -15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.350 0.531 -14.782 1.00 0.00 H new ATOM 154 N GLU A 10 12.760 0.706 -8.814 1.00 0.00 N ATOM 155 CA GLU A 10 13.827 0.805 -7.771 1.00 0.00 C ATOM 156 C GLU A 10 13.499 -0.196 -6.658 1.00 0.00 C ATOM 157 O GLU A 10 12.380 -0.228 -6.188 1.00 0.00 O ATOM 158 CB GLU A 10 13.856 2.228 -7.199 1.00 0.00 C ATOM 159 CG GLU A 10 15.281 2.578 -6.753 1.00 0.00 C ATOM 160 CD GLU A 10 15.348 2.635 -5.224 1.00 0.00 C ATOM 161 OE1 GLU A 10 15.493 1.587 -4.617 1.00 0.00 O ATOM 162 OE2 GLU A 10 15.258 3.727 -4.685 1.00 0.00 O ATOM 0 H GLU A 10 11.893 0.272 -8.496 1.00 0.00 H new ATOM 0 HA GLU A 10 14.803 0.581 -8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.515 2.939 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.171 2.305 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.983 1.833 -7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.578 3.538 -7.175 1.00 0.00 H new ATOM 169 N PRO A 11 14.471 -0.997 -6.283 1.00 0.00 N ATOM 170 CA PRO A 11 14.288 -2.031 -5.244 1.00 0.00 C ATOM 171 C PRO A 11 13.618 -1.474 -3.981 1.00 0.00 C ATOM 172 O PRO A 11 13.884 -0.371 -3.542 1.00 0.00 O ATOM 173 CB PRO A 11 15.692 -2.546 -4.949 1.00 0.00 C ATOM 174 CG PRO A 11 16.620 -1.999 -6.056 1.00 0.00 C ATOM 175 CD PRO A 11 15.831 -0.939 -6.845 1.00 0.00 C ATOM 0 HA PRO A 11 13.623 -2.824 -5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.026 -2.212 -3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.708 -3.636 -4.937 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.518 -1.562 -5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.945 -2.804 -6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.268 0.052 -6.725 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.829 -1.159 -7.913 1.00 0.00 H new ATOM 183 N ALA A 12 12.741 -2.258 -3.416 1.00 0.00 N ATOM 184 CA ALA A 12 11.998 -1.854 -2.189 1.00 0.00 C ATOM 185 C ALA A 12 12.079 -2.999 -1.165 1.00 0.00 C ATOM 186 O ALA A 12 13.000 -3.796 -1.194 1.00 0.00 O ATOM 187 CB ALA A 12 10.541 -1.593 -2.567 1.00 0.00 C ATOM 0 H ALA A 12 12.503 -3.187 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 12 12.428 -0.951 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.982 -1.296 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.495 -0.796 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.105 -2.501 -2.983 1.00 0.00 H new ATOM 193 N THR A 13 11.123 -3.096 -0.268 1.00 0.00 N ATOM 194 CA THR A 13 11.150 -4.196 0.740 1.00 0.00 C ATOM 195 C THR A 13 9.721 -4.486 1.211 1.00 0.00 C ATOM 196 O THR A 13 8.997 -3.592 1.616 1.00 0.00 O ATOM 197 CB THR A 13 12.033 -3.789 1.931 1.00 0.00 C ATOM 198 OG1 THR A 13 12.023 -4.826 2.906 1.00 0.00 O ATOM 199 CG2 THR A 13 11.507 -2.496 2.556 1.00 0.00 C ATOM 0 H THR A 13 10.329 -2.460 -0.194 1.00 0.00 H new ATOM 0 HA THR A 13 11.567 -5.097 0.289 1.00 0.00 H new ATOM 0 HB THR A 13 13.052 -3.626 1.580 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.587 -4.567 3.664 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.139 -2.216 3.399 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.521 -1.700 1.811 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.485 -2.649 2.904 1.00 0.00 H new ATOM 207 N LEU A 14 9.316 -5.733 1.153 1.00 0.00 N ATOM 208 CA LEU A 14 7.942 -6.112 1.591 1.00 0.00 C ATOM 209 C LEU A 14 7.731 -5.661 3.038 1.00 0.00 C ATOM 210 O LEU A 14 8.386 -6.143 3.949 1.00 0.00 O ATOM 211 CB LEU A 14 7.787 -7.641 1.478 1.00 0.00 C ATOM 212 CG LEU A 14 6.919 -8.198 2.617 1.00 0.00 C ATOM 213 CD1 LEU A 14 5.839 -9.116 2.046 1.00 0.00 C ATOM 214 CD2 LEU A 14 7.797 -8.997 3.585 1.00 0.00 C ATOM 0 H LEU A 14 9.887 -6.509 0.817 1.00 0.00 H new ATOM 0 HA LEU A 14 7.197 -5.628 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.337 -7.893 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.770 -8.112 1.503 1.00 0.00 H new ATOM 0 HG LEU A 14 6.448 -7.368 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.227 -9.507 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.210 -8.553 1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.309 -9.944 1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.181 -9.392 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.269 -9.822 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.566 -8.346 4.000 1.00 0.00 H new ATOM 226 N ILE A 15 6.818 -4.749 3.259 1.00 0.00 N ATOM 227 CA ILE A 15 6.559 -4.290 4.654 1.00 0.00 C ATOM 228 C ILE A 15 5.054 -4.392 4.978 1.00 0.00 C ATOM 229 O ILE A 15 4.529 -3.600 5.738 1.00 0.00 O ATOM 230 CB ILE A 15 7.064 -2.851 4.850 1.00 0.00 C ATOM 231 CG1 ILE A 15 6.591 -1.962 3.697 1.00 0.00 C ATOM 232 CG2 ILE A 15 8.595 -2.848 4.896 1.00 0.00 C ATOM 233 CD1 ILE A 15 6.549 -0.505 4.162 1.00 0.00 C ATOM 0 H ILE A 15 6.246 -4.307 2.539 1.00 0.00 H new ATOM 0 HA ILE A 15 7.104 -4.937 5.342 1.00 0.00 H new ATOM 0 HB ILE A 15 6.665 -2.462 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.263 -2.064 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.603 -2.277 3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.953 -1.828 5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.935 -3.468 5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.988 -3.246 3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.212 0.129 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.859 -0.410 5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.546 -0.194 4.475 1.00 0.00 H new ATOM 245 N LYS A 16 4.380 -5.383 4.408 1.00 0.00 N ATOM 246 CA LYS A 16 2.908 -5.628 4.650 1.00 0.00 C ATOM 247 C LYS A 16 2.055 -4.943 3.575 1.00 0.00 C ATOM 248 O LYS A 16 2.552 -4.214 2.736 1.00 0.00 O ATOM 249 CB LYS A 16 2.467 -5.137 6.042 1.00 0.00 C ATOM 250 CG LYS A 16 3.281 -5.850 7.130 1.00 0.00 C ATOM 251 CD LYS A 16 2.522 -7.092 7.604 1.00 0.00 C ATOM 252 CE LYS A 16 3.338 -7.808 8.684 1.00 0.00 C ATOM 253 NZ LYS A 16 2.700 -9.116 9.010 1.00 0.00 N ATOM 0 H LYS A 16 4.806 -6.051 3.766 1.00 0.00 H new ATOM 0 HA LYS A 16 2.755 -6.706 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.608 -4.059 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.404 -5.331 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.258 -6.135 6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.456 -5.176 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.547 -6.807 7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.342 -7.763 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.359 -7.967 8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.398 -7.188 9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.256 -9.600 9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.734 -8.954 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.665 -9.708 8.155 1.00 0.00 H new ATOM 267 N ALA A 17 0.766 -5.193 3.600 1.00 0.00 N ATOM 268 CA ALA A 17 -0.162 -4.585 2.598 1.00 0.00 C ATOM 269 C ALA A 17 -1.492 -4.256 3.275 1.00 0.00 C ATOM 270 O ALA A 17 -1.995 -5.011 4.090 1.00 0.00 O ATOM 271 CB ALA A 17 -0.399 -5.571 1.450 1.00 0.00 C ATOM 0 H ALA A 17 0.314 -5.801 4.283 1.00 0.00 H new ATOM 0 HA ALA A 17 0.280 -3.672 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.076 -5.125 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.551 -5.804 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.841 -6.487 1.842 1.00 0.00 H new ATOM 277 N ILE A 18 -2.054 -3.126 2.942 1.00 0.00 N ATOM 278 CA ILE A 18 -3.350 -2.701 3.547 1.00 0.00 C ATOM 279 C ILE A 18 -4.470 -3.651 3.090 1.00 0.00 C ATOM 280 O ILE A 18 -5.069 -4.342 3.895 1.00 0.00 O ATOM 281 CB ILE A 18 -3.639 -1.262 3.095 1.00 0.00 C ATOM 282 CG1 ILE A 18 -2.932 -0.283 4.039 1.00 0.00 C ATOM 283 CG2 ILE A 18 -5.146 -0.981 3.111 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.622 0.190 3.403 1.00 0.00 C ATOM 0 H ILE A 18 -1.664 -2.469 2.266 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.298 -2.739 4.635 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.270 -1.135 2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.578 0.571 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.730 -0.766 4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.328 0.044 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.652 -1.670 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.531 -1.116 4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.121 0.886 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.975 -0.668 3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.836 0.690 2.458 1.00 0.00 H new ATOM 296 N ASP A 19 -4.755 -3.682 1.808 1.00 0.00 N ATOM 297 CA ASP A 19 -5.835 -4.574 1.282 1.00 0.00 C ATOM 298 C ASP A 19 -5.816 -4.524 -0.256 1.00 0.00 C ATOM 299 O ASP A 19 -4.786 -4.270 -0.857 1.00 0.00 O ATOM 300 CB ASP A 19 -7.190 -4.076 1.813 1.00 0.00 C ATOM 301 CG ASP A 19 -8.117 -5.266 2.095 1.00 0.00 C ATOM 302 OD1 ASP A 19 -7.793 -6.058 2.968 1.00 0.00 O ATOM 303 OD2 ASP A 19 -9.140 -5.359 1.438 1.00 0.00 O ATOM 0 H ASP A 19 -4.281 -3.122 1.100 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.677 -5.602 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.041 -3.497 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.652 -3.410 1.084 1.00 0.00 H new ATOM 308 N GLY A 20 -6.941 -4.752 -0.897 1.00 0.00 N ATOM 309 CA GLY A 20 -6.985 -4.703 -2.394 1.00 0.00 C ATOM 310 C GLY A 20 -7.184 -3.251 -2.857 1.00 0.00 C ATOM 311 O GLY A 20 -7.937 -2.985 -3.776 1.00 0.00 O ATOM 0 H GLY A 20 -7.830 -4.970 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.060 -5.104 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.797 -5.328 -2.765 1.00 0.00 H new ATOM 315 N ASP A 21 -6.509 -2.315 -2.224 1.00 0.00 N ATOM 316 CA ASP A 21 -6.639 -0.873 -2.606 1.00 0.00 C ATOM 317 C ASP A 21 -5.278 -0.193 -2.443 1.00 0.00 C ATOM 318 O ASP A 21 -4.804 0.489 -3.334 1.00 0.00 O ATOM 319 CB ASP A 21 -7.657 -0.168 -1.694 1.00 0.00 C ATOM 320 CG ASP A 21 -8.805 -1.121 -1.331 1.00 0.00 C ATOM 321 OD1 ASP A 21 -9.730 -1.232 -2.119 1.00 0.00 O ATOM 322 OD2 ASP A 21 -8.738 -1.723 -0.270 1.00 0.00 O ATOM 0 H ASP A 21 -5.868 -2.494 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.979 -0.808 -3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.163 0.177 -0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.054 0.714 -2.196 1.00 0.00 H new ATOM 327 N THR A 22 -4.654 -0.378 -1.302 1.00 0.00 N ATOM 328 CA THR A 22 -3.319 0.243 -1.046 1.00 0.00 C ATOM 329 C THR A 22 -2.317 -0.860 -0.637 1.00 0.00 C ATOM 330 O THR A 22 -2.685 -2.011 -0.471 1.00 0.00 O ATOM 331 CB THR A 22 -3.433 1.276 0.090 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.770 1.758 0.184 1.00 0.00 O ATOM 333 CG2 THR A 22 -2.493 2.453 -0.183 1.00 0.00 C ATOM 0 H THR A 22 -5.019 -0.939 -0.532 1.00 0.00 H new ATOM 0 HA THR A 22 -2.972 0.742 -1.951 1.00 0.00 H new ATOM 0 HB THR A 22 -3.157 0.795 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.831 2.413 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.578 3.181 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.466 2.093 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.765 2.925 -1.127 1.00 0.00 H new ATOM 341 N VAL A 23 -1.059 -0.516 -0.473 1.00 0.00 N ATOM 342 CA VAL A 23 -0.024 -1.532 -0.076 1.00 0.00 C ATOM 343 C VAL A 23 1.063 -0.863 0.777 1.00 0.00 C ATOM 344 O VAL A 23 1.217 0.340 0.751 1.00 0.00 O ATOM 345 CB VAL A 23 0.614 -2.153 -1.330 1.00 0.00 C ATOM 346 CG1 VAL A 23 -0.254 -3.311 -1.831 1.00 0.00 C ATOM 347 CG2 VAL A 23 0.740 -1.100 -2.439 1.00 0.00 C ATOM 0 H VAL A 23 -0.701 0.431 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.506 -2.318 0.505 1.00 0.00 H new ATOM 0 HB VAL A 23 1.607 -2.521 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.201 -3.749 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.333 -4.070 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.249 -2.940 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.193 -1.553 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.249 -0.720 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.366 -0.278 -2.091 1.00 0.00 H new ATOM 357 N LYS A 24 1.827 -1.629 1.528 1.00 0.00 N ATOM 358 CA LYS A 24 2.903 -1.015 2.359 1.00 0.00 C ATOM 359 C LYS A 24 4.246 -1.282 1.681 1.00 0.00 C ATOM 360 O LYS A 24 4.581 -2.415 1.378 1.00 0.00 O ATOM 361 CB LYS A 24 2.892 -1.617 3.766 1.00 0.00 C ATOM 362 CG LYS A 24 3.142 -0.509 4.791 1.00 0.00 C ATOM 363 CD LYS A 24 2.810 -1.019 6.196 1.00 0.00 C ATOM 364 CE LYS A 24 3.999 -0.766 7.129 1.00 0.00 C ATOM 365 NZ LYS A 24 4.075 0.687 7.463 1.00 0.00 N ATOM 0 H LYS A 24 1.748 -2.644 1.597 1.00 0.00 H new ATOM 0 HA LYS A 24 2.738 0.059 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.934 -2.099 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.659 -2.387 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.183 -0.188 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.530 0.362 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.922 -0.514 6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.581 -2.084 6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.890 -1.354 8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.924 -1.088 6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.829 0.844 8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.283 1.231 6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.166 1.000 7.859 1.00 0.00 H new ATOM 379 N LEU A 25 5.006 -0.248 1.415 1.00 0.00 N ATOM 380 CA LEU A 25 6.316 -0.441 0.730 1.00 0.00 C ATOM 381 C LEU A 25 7.358 0.550 1.272 1.00 0.00 C ATOM 382 O LEU A 25 7.101 1.734 1.396 1.00 0.00 O ATOM 383 CB LEU A 25 6.109 -0.217 -0.777 1.00 0.00 C ATOM 384 CG LEU A 25 7.318 -0.713 -1.580 1.00 0.00 C ATOM 385 CD1 LEU A 25 8.458 0.302 -1.471 1.00 0.00 C ATOM 386 CD2 LEU A 25 7.779 -2.076 -1.048 1.00 0.00 C ATOM 0 H LEU A 25 4.774 0.719 1.643 1.00 0.00 H new ATOM 0 HA LEU A 25 6.684 -1.450 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.211 -0.740 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.949 0.844 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 25 7.032 -0.822 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.316 -0.052 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.129 1.262 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.742 0.420 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.638 -2.420 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.060 -1.981 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.967 -2.797 -1.142 1.00 0.00 H new ATOM 398 N MET A 26 8.538 0.063 1.577 1.00 0.00 N ATOM 399 CA MET A 26 9.627 0.949 2.091 1.00 0.00 C ATOM 400 C MET A 26 10.756 0.968 1.048 1.00 0.00 C ATOM 401 O MET A 26 11.606 0.095 1.020 1.00 0.00 O ATOM 402 CB MET A 26 10.142 0.407 3.431 1.00 0.00 C ATOM 403 CG MET A 26 11.198 1.352 4.006 1.00 0.00 C ATOM 404 SD MET A 26 12.162 0.480 5.267 1.00 0.00 S ATOM 405 CE MET A 26 13.536 -0.027 4.203 1.00 0.00 C ATOM 0 H MET A 26 8.794 -0.921 1.490 1.00 0.00 H new ATOM 0 HA MET A 26 9.256 1.961 2.253 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.314 0.303 4.133 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.568 -0.586 3.291 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.855 1.708 3.212 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.719 2.229 4.441 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.664 -1.108 4.265 1.00 0.00 H new ATOM 0 HE2 MET A 26 13.321 0.255 3.172 1.00 0.00 H new ATOM 0 HE3 MET A 26 14.451 0.466 4.531 1.00 0.00 H new ATOM 415 N TYR A 27 10.747 1.947 0.174 1.00 0.00 N ATOM 416 CA TYR A 27 11.791 2.022 -0.897 1.00 0.00 C ATOM 417 C TYR A 27 12.954 2.935 -0.467 1.00 0.00 C ATOM 418 O TYR A 27 14.099 2.665 -0.782 1.00 0.00 O ATOM 419 CB TYR A 27 11.155 2.553 -2.196 1.00 0.00 C ATOM 420 CG TYR A 27 11.048 4.060 -2.144 1.00 0.00 C ATOM 421 CD1 TYR A 27 10.039 4.665 -1.387 1.00 0.00 C ATOM 422 CD2 TYR A 27 11.972 4.849 -2.839 1.00 0.00 C ATOM 423 CE1 TYR A 27 9.952 6.059 -1.324 1.00 0.00 C ATOM 424 CE2 TYR A 27 11.885 6.244 -2.775 1.00 0.00 C ATOM 425 CZ TYR A 27 10.874 6.850 -2.018 1.00 0.00 C ATOM 426 OH TYR A 27 10.788 8.227 -1.954 1.00 0.00 O ATOM 0 H TYR A 27 10.059 2.700 0.157 1.00 0.00 H new ATOM 0 HA TYR A 27 12.191 1.022 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.757 2.253 -3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.166 2.115 -2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.327 4.055 -0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.751 4.382 -3.424 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.173 6.525 -0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 27 12.598 6.854 -3.310 1.00 0.00 H new ATOM 0 HH TYR A 27 11.504 8.625 -2.492 1.00 0.00 H new ATOM 436 N LYS A 28 12.674 4.015 0.235 1.00 0.00 N ATOM 437 CA LYS A 28 13.770 4.938 0.662 1.00 0.00 C ATOM 438 C LYS A 28 13.990 4.845 2.174 1.00 0.00 C ATOM 439 O LYS A 28 14.410 5.796 2.813 1.00 0.00 O ATOM 440 CB LYS A 28 13.426 6.380 0.257 1.00 0.00 C ATOM 441 CG LYS A 28 12.258 6.907 1.100 1.00 0.00 C ATOM 442 CD LYS A 28 12.688 8.184 1.827 1.00 0.00 C ATOM 443 CE LYS A 28 12.469 9.394 0.913 1.00 0.00 C ATOM 444 NZ LYS A 28 12.404 10.636 1.736 1.00 0.00 N ATOM 0 H LYS A 28 11.737 4.291 0.527 1.00 0.00 H new ATOM 0 HA LYS A 28 14.693 4.642 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.298 7.020 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.165 6.415 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.398 7.111 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.947 6.152 1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.115 8.302 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.738 8.116 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.280 9.467 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.546 9.272 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.255 11.457 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.615 10.565 2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.296 10.754 2.258 1.00 0.00 H new ATOM 458 N GLY A 29 13.726 3.698 2.747 1.00 0.00 N ATOM 459 CA GLY A 29 13.932 3.526 4.210 1.00 0.00 C ATOM 460 C GLY A 29 12.687 3.962 4.996 1.00 0.00 C ATOM 461 O GLY A 29 12.610 3.743 6.192 1.00 0.00 O ATOM 0 H GLY A 29 13.376 2.873 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.158 2.482 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.793 4.112 4.531 1.00 0.00 H new ATOM 465 N GLN A 30 11.716 4.577 4.350 1.00 0.00 N ATOM 466 CA GLN A 30 10.496 5.015 5.092 1.00 0.00 C ATOM 467 C GLN A 30 9.269 4.195 4.639 1.00 0.00 C ATOM 468 O GLN A 30 8.879 4.243 3.486 1.00 0.00 O ATOM 469 CB GLN A 30 10.259 6.524 4.873 1.00 0.00 C ATOM 470 CG GLN A 30 9.683 6.796 3.476 1.00 0.00 C ATOM 471 CD GLN A 30 9.561 8.309 3.242 1.00 0.00 C ATOM 472 OE1 GLN A 30 9.424 9.078 4.175 1.00 0.00 O ATOM 473 NE2 GLN A 30 9.599 8.773 2.022 1.00 0.00 N ATOM 0 H GLN A 30 11.720 4.790 3.352 1.00 0.00 H new ATOM 0 HA GLN A 30 10.646 4.840 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.574 6.902 5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.198 7.064 4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.327 6.353 2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.705 6.325 3.379 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.714 8.133 1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.514 9.776 1.855 1.00 0.00 H new ATOM 482 N PRO A 31 8.698 3.460 5.574 1.00 0.00 N ATOM 483 CA PRO A 31 7.506 2.625 5.309 1.00 0.00 C ATOM 484 C PRO A 31 6.290 3.531 5.068 1.00 0.00 C ATOM 485 O PRO A 31 5.914 4.312 5.925 1.00 0.00 O ATOM 486 CB PRO A 31 7.315 1.798 6.588 1.00 0.00 C ATOM 487 CG PRO A 31 8.335 2.311 7.635 1.00 0.00 C ATOM 488 CD PRO A 31 9.198 3.389 6.961 1.00 0.00 C ATOM 0 HA PRO A 31 7.620 1.992 4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.297 1.902 6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.474 0.739 6.386 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.818 2.722 8.502 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.958 1.492 7.994 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.098 4.349 7.467 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.255 3.123 6.987 1.00 0.00 H new ATOM 496 N MET A 32 5.682 3.444 3.908 1.00 0.00 N ATOM 497 CA MET A 32 4.499 4.314 3.610 1.00 0.00 C ATOM 498 C MET A 32 3.321 3.464 3.103 1.00 0.00 C ATOM 499 O MET A 32 3.246 2.276 3.360 1.00 0.00 O ATOM 500 CB MET A 32 4.899 5.349 2.552 1.00 0.00 C ATOM 501 CG MET A 32 6.066 6.192 3.072 1.00 0.00 C ATOM 502 SD MET A 32 6.245 7.675 2.050 1.00 0.00 S ATOM 503 CE MET A 32 7.268 6.933 0.756 1.00 0.00 C ATOM 0 H MET A 32 5.953 2.810 3.156 1.00 0.00 H new ATOM 0 HA MET A 32 4.183 4.822 4.521 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.184 4.847 1.627 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.050 5.991 2.318 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.891 6.473 4.111 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.987 5.609 3.050 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.459 7.670 -0.024 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.215 6.604 1.185 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.747 6.077 0.327 1.00 0.00 H new ATOM 513 N THR A 33 2.402 4.070 2.381 1.00 0.00 N ATOM 514 CA THR A 33 1.227 3.325 1.847 1.00 0.00 C ATOM 515 C THR A 33 1.158 3.567 0.338 1.00 0.00 C ATOM 516 O THR A 33 0.666 4.579 -0.130 1.00 0.00 O ATOM 517 CB THR A 33 -0.064 3.804 2.529 1.00 0.00 C ATOM 518 OG1 THR A 33 -0.137 5.222 2.482 1.00 0.00 O ATOM 519 CG2 THR A 33 -0.076 3.339 3.986 1.00 0.00 C ATOM 0 H THR A 33 2.423 5.061 2.140 1.00 0.00 H new ATOM 0 HA THR A 33 1.333 2.259 2.049 1.00 0.00 H new ATOM 0 HB THR A 33 -0.923 3.383 2.006 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.873 5.531 3.050 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.992 3.679 4.469 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.030 2.251 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.786 3.755 4.508 1.00 0.00 H new ATOM 527 N PHE A 34 1.684 2.643 -0.413 1.00 0.00 N ATOM 528 CA PHE A 34 1.712 2.767 -1.895 1.00 0.00 C ATOM 529 C PHE A 34 0.350 2.383 -2.479 1.00 0.00 C ATOM 530 O PHE A 34 -0.375 1.595 -1.904 1.00 0.00 O ATOM 531 CB PHE A 34 2.783 1.816 -2.424 1.00 0.00 C ATOM 532 CG PHE A 34 4.160 2.362 -2.120 1.00 0.00 C ATOM 533 CD1 PHE A 34 4.494 2.777 -0.821 1.00 0.00 C ATOM 534 CD2 PHE A 34 5.102 2.456 -3.144 1.00 0.00 C ATOM 535 CE1 PHE A 34 5.768 3.285 -0.557 1.00 0.00 C ATOM 536 CE2 PHE A 34 6.379 2.962 -2.879 1.00 0.00 C ATOM 537 CZ PHE A 34 6.712 3.379 -1.586 1.00 0.00 C ATOM 0 H PHE A 34 2.106 1.787 -0.053 1.00 0.00 H new ATOM 0 HA PHE A 34 1.934 3.794 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.664 0.833 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.665 1.685 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.766 2.703 -0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.845 2.138 -4.144 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.025 3.605 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.108 3.031 -3.673 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.697 3.773 -1.382 1.00 0.00 H new ATOM 547 N ARG A 35 -0.008 2.932 -3.617 1.00 0.00 N ATOM 548 CA ARG A 35 -1.321 2.594 -4.221 1.00 0.00 C ATOM 549 C ARG A 35 -1.237 1.236 -4.935 1.00 0.00 C ATOM 550 O ARG A 35 -0.495 1.058 -5.887 1.00 0.00 O ATOM 551 CB ARG A 35 -1.735 3.702 -5.206 1.00 0.00 C ATOM 552 CG ARG A 35 -0.992 3.573 -6.544 1.00 0.00 C ATOM 553 CD ARG A 35 -0.885 4.954 -7.183 1.00 0.00 C ATOM 554 NE ARG A 35 -1.494 4.956 -8.543 1.00 0.00 N ATOM 555 CZ ARG A 35 -1.199 4.034 -9.417 1.00 0.00 C ATOM 556 NH1 ARG A 35 -0.007 4.009 -9.955 1.00 0.00 N ATOM 557 NH2 ARG A 35 -2.092 3.144 -9.761 1.00 0.00 N ATOM 0 H ARG A 35 0.556 3.597 -4.146 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.075 2.522 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.810 3.653 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.527 4.677 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.001 3.153 -6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.524 2.891 -7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.386 5.690 -6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.162 5.250 -7.248 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.154 5.692 -8.795 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.687 4.708 -9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.229 3.290 -10.639 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.023 3.169 -9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.858 2.424 -10.445 1.00 0.00 H new ATOM 571 N LEU A 36 -2.021 0.284 -4.488 1.00 0.00 N ATOM 572 CA LEU A 36 -2.039 -1.062 -5.144 1.00 0.00 C ATOM 573 C LEU A 36 -2.514 -0.850 -6.587 1.00 0.00 C ATOM 574 O LEU A 36 -2.044 -1.474 -7.516 1.00 0.00 O ATOM 575 CB LEU A 36 -3.010 -1.978 -4.377 1.00 0.00 C ATOM 576 CG LEU A 36 -3.504 -3.119 -5.272 1.00 0.00 C ATOM 577 CD1 LEU A 36 -3.466 -4.433 -4.489 1.00 0.00 C ATOM 578 CD2 LEU A 36 -4.943 -2.836 -5.714 1.00 0.00 C ATOM 0 H LEU A 36 -2.652 0.382 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.055 -1.531 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.512 -2.388 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.860 -1.396 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.861 -3.196 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.817 -5.246 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.444 -4.637 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.110 -4.353 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.294 -3.648 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.585 -2.759 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.975 -1.899 -6.270 1.00 0.00 H new ATOM 590 N LEU A 37 -3.428 0.073 -6.745 1.00 0.00 N ATOM 591 CA LEU A 37 -3.978 0.442 -8.083 1.00 0.00 C ATOM 592 C LEU A 37 -4.640 1.822 -7.923 1.00 0.00 C ATOM 593 O LEU A 37 -5.631 2.132 -8.559 1.00 0.00 O ATOM 594 CB LEU A 37 -5.015 -0.603 -8.521 1.00 0.00 C ATOM 595 CG LEU A 37 -5.186 -0.557 -10.043 1.00 0.00 C ATOM 596 CD1 LEU A 37 -4.722 -1.884 -10.651 1.00 0.00 C ATOM 597 CD2 LEU A 37 -6.661 -0.331 -10.385 1.00 0.00 C ATOM 0 H LEU A 37 -3.829 0.604 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.196 0.475 -8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.695 -1.598 -8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.970 -0.409 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.588 0.259 -10.449 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.844 -1.851 -11.734 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.672 -2.048 -10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.320 -2.700 -10.244 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.783 -0.298 -11.468 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.258 -1.147 -9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.994 0.613 -9.954 1.00 0.00 H new ATOM 609 N LEU A 38 -4.096 2.629 -7.022 1.00 0.00 N ATOM 610 CA LEU A 38 -4.656 3.983 -6.712 1.00 0.00 C ATOM 611 C LEU A 38 -6.129 3.855 -6.293 1.00 0.00 C ATOM 612 O LEU A 38 -6.883 4.813 -6.306 1.00 0.00 O ATOM 613 CB LEU A 38 -4.456 4.924 -7.906 1.00 0.00 C ATOM 614 CG LEU A 38 -5.691 4.962 -8.820 1.00 0.00 C ATOM 615 CD1 LEU A 38 -6.341 6.348 -8.751 1.00 0.00 C ATOM 616 CD2 LEU A 38 -5.266 4.675 -10.262 1.00 0.00 C ATOM 0 H LEU A 38 -3.266 2.390 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.120 4.424 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.242 5.929 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.588 4.601 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.406 4.208 -8.491 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.216 6.372 -9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.644 6.557 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.626 7.102 -9.079 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.141 4.702 -10.911 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.550 5.429 -10.587 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.804 3.689 -10.316 1.00 0.00 H new ATOM 628 N VAL A 39 -6.525 2.665 -5.892 1.00 0.00 N ATOM 629 CA VAL A 39 -7.926 2.428 -5.439 1.00 0.00 C ATOM 630 C VAL A 39 -8.168 3.193 -4.128 1.00 0.00 C ATOM 631 O VAL A 39 -7.816 2.735 -3.055 1.00 0.00 O ATOM 632 CB VAL A 39 -8.133 0.925 -5.210 1.00 0.00 C ATOM 633 CG1 VAL A 39 -9.546 0.674 -4.675 1.00 0.00 C ATOM 634 CG2 VAL A 39 -7.950 0.173 -6.532 1.00 0.00 C ATOM 0 H VAL A 39 -5.924 1.842 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.628 2.778 -6.196 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.402 0.569 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.689 -0.394 -4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.678 1.204 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.278 1.033 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.097 -0.894 -6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.679 0.532 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.943 0.346 -6.912 1.00 0.00 H new ATOM 644 N ASP A 40 -8.763 4.356 -4.216 1.00 0.00 N ATOM 645 CA ASP A 40 -9.035 5.168 -2.989 1.00 0.00 C ATOM 646 C ASP A 40 -10.162 6.175 -3.271 1.00 0.00 C ATOM 647 O ASP A 40 -10.101 7.324 -2.865 1.00 0.00 O ATOM 648 CB ASP A 40 -7.753 5.910 -2.579 1.00 0.00 C ATOM 649 CG ASP A 40 -7.801 6.244 -1.083 1.00 0.00 C ATOM 650 OD1 ASP A 40 -7.672 5.329 -0.284 1.00 0.00 O ATOM 651 OD2 ASP A 40 -7.962 7.410 -0.761 1.00 0.00 O ATOM 0 H ASP A 40 -9.074 4.781 -5.090 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.347 4.512 -2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.880 5.294 -2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.649 6.825 -3.162 1.00 0.00 H new ATOM 656 N THR A 41 -11.194 5.747 -3.964 1.00 0.00 N ATOM 657 CA THR A 41 -12.326 6.657 -4.281 1.00 0.00 C ATOM 658 C THR A 41 -13.592 6.162 -3.555 1.00 0.00 C ATOM 659 O THR A 41 -14.166 5.156 -3.935 1.00 0.00 O ATOM 660 CB THR A 41 -12.545 6.657 -5.802 1.00 0.00 C ATOM 661 OG1 THR A 41 -11.605 7.532 -6.412 1.00 0.00 O ATOM 662 CG2 THR A 41 -13.961 7.123 -6.129 1.00 0.00 C ATOM 0 H THR A 41 -11.294 4.797 -4.323 1.00 0.00 H new ATOM 0 HA THR A 41 -12.106 7.672 -3.949 1.00 0.00 H new ATOM 0 HB THR A 41 -12.409 5.645 -6.183 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.741 7.533 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.105 7.119 -7.209 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.682 6.450 -5.664 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.109 8.133 -5.747 1.00 0.00 H new ATOM 670 N PRO A 42 -13.987 6.890 -2.530 1.00 0.00 N ATOM 671 CA PRO A 42 -15.190 6.554 -1.733 1.00 0.00 C ATOM 672 C PRO A 42 -16.455 6.642 -2.605 1.00 0.00 C ATOM 673 O PRO A 42 -16.401 7.029 -3.761 1.00 0.00 O ATOM 674 CB PRO A 42 -15.229 7.610 -0.618 1.00 0.00 C ATOM 675 CG PRO A 42 -14.036 8.574 -0.836 1.00 0.00 C ATOM 676 CD PRO A 42 -13.266 8.096 -2.077 1.00 0.00 C ATOM 0 HA PRO A 42 -15.153 5.539 -1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.171 8.157 -0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.162 7.135 0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.391 9.595 -0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.385 8.580 0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.251 8.862 -2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.228 7.868 -1.834 1.00 0.00 H new ATOM 684 N GLU A 43 -17.595 6.288 -2.056 1.00 0.00 N ATOM 685 CA GLU A 43 -18.865 6.350 -2.839 1.00 0.00 C ATOM 686 C GLU A 43 -20.063 6.387 -1.884 1.00 0.00 C ATOM 687 O GLU A 43 -20.048 5.787 -0.822 1.00 0.00 O ATOM 688 CB GLU A 43 -18.968 5.125 -3.763 1.00 0.00 C ATOM 689 CG GLU A 43 -19.075 3.837 -2.932 1.00 0.00 C ATOM 690 CD GLU A 43 -20.507 3.293 -3.004 1.00 0.00 C ATOM 691 OE1 GLU A 43 -20.850 2.709 -4.020 1.00 0.00 O ATOM 692 OE2 GLU A 43 -21.236 3.467 -2.041 1.00 0.00 O ATOM 0 H GLU A 43 -17.697 5.958 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 43 -18.867 7.255 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -19.840 5.222 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -18.093 5.076 -4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -18.373 3.092 -3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -18.804 4.038 -1.896 1.00 0.00 H new ATOM 699 N THR A 44 -21.099 7.093 -2.260 1.00 0.00 N ATOM 700 CA THR A 44 -22.317 7.187 -1.394 1.00 0.00 C ATOM 701 C THR A 44 -23.318 6.086 -1.782 1.00 0.00 C ATOM 702 O THR A 44 -23.391 5.674 -2.927 1.00 0.00 O ATOM 703 CB THR A 44 -22.968 8.571 -1.563 1.00 0.00 C ATOM 704 OG1 THR A 44 -24.009 8.723 -0.606 1.00 0.00 O ATOM 705 CG2 THR A 44 -23.548 8.717 -2.975 1.00 0.00 C ATOM 0 H THR A 44 -21.155 7.613 -3.136 1.00 0.00 H new ATOM 0 HA THR A 44 -22.028 7.053 -0.352 1.00 0.00 H new ATOM 0 HB THR A 44 -22.210 9.340 -1.411 1.00 0.00 H new ATOM 0 HG1 THR A 44 -24.424 9.605 -0.711 1.00 0.00 H new ATOM 0 HG21 THR A 44 -24.005 9.701 -3.081 1.00 0.00 H new ATOM 0 HG22 THR A 44 -22.750 8.607 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 44 -24.302 7.947 -3.140 1.00 0.00 H new ATOM 713 N LYS A 45 -24.089 5.613 -0.830 1.00 0.00 N ATOM 714 CA LYS A 45 -25.095 4.543 -1.123 1.00 0.00 C ATOM 715 C LYS A 45 -26.232 4.596 -0.095 1.00 0.00 C ATOM 716 O LYS A 45 -26.129 5.246 0.933 1.00 0.00 O ATOM 717 CB LYS A 45 -24.417 3.169 -1.059 1.00 0.00 C ATOM 718 CG LYS A 45 -24.873 2.314 -2.246 1.00 0.00 C ATOM 719 CD LYS A 45 -24.571 0.839 -1.966 1.00 0.00 C ATOM 720 CE LYS A 45 -23.083 0.564 -2.203 1.00 0.00 C ATOM 721 NZ LYS A 45 -22.774 -0.853 -1.859 1.00 0.00 N ATOM 0 H LYS A 45 -24.064 5.924 0.141 1.00 0.00 H new ATOM 0 HA LYS A 45 -25.504 4.704 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -23.333 3.286 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.668 2.672 -0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -25.941 2.451 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -24.362 2.634 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.837 0.592 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.176 0.204 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.828 0.759 -3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.478 1.236 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.806 -1.081 -2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.855 -0.986 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.445 -1.482 -2.344 1.00 0.00 H new ATOM 735 N HIS A 46 -27.316 3.910 -0.368 1.00 0.00 N ATOM 736 CA HIS A 46 -28.475 3.901 0.580 1.00 0.00 C ATOM 737 C HIS A 46 -28.196 2.920 1.735 1.00 0.00 C ATOM 738 O HIS A 46 -27.352 2.049 1.613 1.00 0.00 O ATOM 739 CB HIS A 46 -29.750 3.482 -0.172 1.00 0.00 C ATOM 740 CG HIS A 46 -29.646 2.046 -0.620 1.00 0.00 C ATOM 741 ND1 HIS A 46 -29.050 1.685 -1.820 1.00 0.00 N ATOM 742 CD2 HIS A 46 -30.060 0.872 -0.041 1.00 0.00 C ATOM 743 CE1 HIS A 46 -29.122 0.345 -1.922 1.00 0.00 C ATOM 744 NE2 HIS A 46 -29.729 -0.200 -0.863 1.00 0.00 N ATOM 0 H HIS A 46 -27.448 3.353 -1.212 1.00 0.00 H new ATOM 0 HA HIS A 46 -28.615 4.900 0.992 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.619 3.606 0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -29.900 4.130 -1.036 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -30.566 0.793 0.910 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -28.737 -0.221 -2.757 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -29.910 -1.189 -0.694 1.00 0.00 H new ATOM 752 N PRO A 47 -28.914 3.096 2.826 1.00 0.00 N ATOM 753 CA PRO A 47 -28.762 2.241 4.023 1.00 0.00 C ATOM 754 C PRO A 47 -29.070 0.775 3.681 1.00 0.00 C ATOM 755 O PRO A 47 -30.194 0.423 3.367 1.00 0.00 O ATOM 756 CB PRO A 47 -29.779 2.793 5.035 1.00 0.00 C ATOM 757 CG PRO A 47 -30.507 3.987 4.368 1.00 0.00 C ATOM 758 CD PRO A 47 -29.931 4.158 2.953 1.00 0.00 C ATOM 0 HA PRO A 47 -27.746 2.259 4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -30.493 2.020 5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -29.276 3.113 5.947 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -31.581 3.803 4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -30.363 4.896 4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -30.708 4.054 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -29.489 5.146 2.823 1.00 0.00 H new ATOM 766 N LYS A 48 -28.070 -0.073 3.737 1.00 0.00 N ATOM 767 CA LYS A 48 -28.275 -1.521 3.417 1.00 0.00 C ATOM 768 C LYS A 48 -27.149 -2.357 4.042 1.00 0.00 C ATOM 769 O LYS A 48 -26.086 -1.848 4.355 1.00 0.00 O ATOM 770 CB LYS A 48 -28.275 -1.717 1.893 1.00 0.00 C ATOM 771 CG LYS A 48 -26.923 -1.287 1.311 1.00 0.00 C ATOM 772 CD LYS A 48 -26.901 -1.557 -0.196 1.00 0.00 C ATOM 773 CE LYS A 48 -25.694 -2.430 -0.544 1.00 0.00 C ATOM 774 NZ LYS A 48 -25.748 -2.805 -1.987 1.00 0.00 N ATOM 0 H LYS A 48 -27.115 0.178 3.992 1.00 0.00 H new ATOM 0 HA LYS A 48 -29.232 -1.846 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -28.468 -2.762 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -29.077 -1.132 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -26.754 -0.227 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -26.116 -1.832 1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -27.822 -2.055 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -26.852 -0.616 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -24.770 -1.892 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -25.690 -3.327 0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -24.927 -3.398 -2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -26.623 -3.334 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -25.731 -1.944 -2.570 1.00 0.00 H new ATOM 788 N LYS A 49 -27.374 -3.640 4.219 1.00 0.00 N ATOM 789 CA LYS A 49 -26.319 -4.519 4.816 1.00 0.00 C ATOM 790 C LYS A 49 -25.139 -4.642 3.838 1.00 0.00 C ATOM 791 O LYS A 49 -25.319 -4.672 2.632 1.00 0.00 O ATOM 792 CB LYS A 49 -26.904 -5.909 5.111 1.00 0.00 C ATOM 793 CG LYS A 49 -27.339 -6.592 3.809 1.00 0.00 C ATOM 794 CD LYS A 49 -26.319 -7.672 3.431 1.00 0.00 C ATOM 795 CE LYS A 49 -27.033 -8.833 2.736 1.00 0.00 C ATOM 796 NZ LYS A 49 -26.052 -9.915 2.435 1.00 0.00 N ATOM 0 H LYS A 49 -28.243 -4.115 3.975 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.967 -4.079 5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -26.161 -6.523 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -27.757 -5.817 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -28.326 -7.037 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -27.418 -5.856 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -25.558 -7.253 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -25.806 -8.030 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.829 -9.217 3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -27.501 -8.486 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -26.539 -10.703 1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -25.307 -9.544 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -25.625 -10.253 3.321 1.00 0.00 H new ATOM 810 N GLY A 50 -23.933 -4.701 4.353 1.00 0.00 N ATOM 811 CA GLY A 50 -22.733 -4.810 3.466 1.00 0.00 C ATOM 812 C GLY A 50 -22.294 -6.275 3.342 1.00 0.00 C ATOM 813 O GLY A 50 -23.109 -7.181 3.352 1.00 0.00 O ATOM 0 H GLY A 50 -23.729 -4.678 5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -22.964 -4.408 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -21.917 -4.212 3.871 1.00 0.00 H new ATOM 817 N VAL A 51 -21.007 -6.504 3.221 1.00 0.00 N ATOM 818 CA VAL A 51 -20.486 -7.898 3.091 1.00 0.00 C ATOM 819 C VAL A 51 -18.995 -7.923 3.463 1.00 0.00 C ATOM 820 O VAL A 51 -18.245 -7.021 3.125 1.00 0.00 O ATOM 821 CB VAL A 51 -20.677 -8.385 1.644 1.00 0.00 C ATOM 822 CG1 VAL A 51 -19.823 -7.547 0.686 1.00 0.00 C ATOM 823 CG2 VAL A 51 -20.264 -9.857 1.537 1.00 0.00 C ATOM 0 H VAL A 51 -20.292 -5.777 3.207 1.00 0.00 H new ATOM 0 HA VAL A 51 -21.033 -8.559 3.764 1.00 0.00 H new ATOM 0 HB VAL A 51 -21.727 -8.278 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -19.967 -7.902 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -20.122 -6.501 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -18.772 -7.642 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -20.400 -10.199 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -19.216 -9.962 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -20.881 -10.458 2.205 1.00 0.00 H new ATOM 833 N GLU A 52 -18.567 -8.949 4.158 1.00 0.00 N ATOM 834 CA GLU A 52 -17.130 -9.049 4.564 1.00 0.00 C ATOM 835 C GLU A 52 -16.247 -9.154 3.313 1.00 0.00 C ATOM 836 O GLU A 52 -16.450 -10.008 2.467 1.00 0.00 O ATOM 837 CB GLU A 52 -16.929 -10.290 5.446 1.00 0.00 C ATOM 838 CG GLU A 52 -15.474 -10.360 5.932 1.00 0.00 C ATOM 839 CD GLU A 52 -15.127 -9.101 6.736 1.00 0.00 C ATOM 840 OE1 GLU A 52 -15.482 -9.049 7.903 1.00 0.00 O ATOM 841 OE2 GLU A 52 -14.506 -8.213 6.172 1.00 0.00 O ATOM 0 H GLU A 52 -19.154 -9.725 4.463 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.851 -8.159 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.605 -10.252 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -17.177 -11.190 4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.331 -11.247 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.801 -10.454 5.079 1.00 0.00 H new ATOM 848 N LYS A 53 -15.275 -8.280 3.192 1.00 0.00 N ATOM 849 CA LYS A 53 -14.372 -8.306 2.001 1.00 0.00 C ATOM 850 C LYS A 53 -12.914 -8.154 2.451 1.00 0.00 C ATOM 851 O LYS A 53 -12.591 -7.303 3.263 1.00 0.00 O ATOM 852 CB LYS A 53 -14.740 -7.154 1.058 1.00 0.00 C ATOM 853 CG LYS A 53 -15.682 -7.667 -0.037 1.00 0.00 C ATOM 854 CD LYS A 53 -14.886 -7.927 -1.320 1.00 0.00 C ATOM 855 CE LYS A 53 -14.367 -9.367 -1.321 1.00 0.00 C ATOM 856 NZ LYS A 53 -13.133 -9.451 -2.151 1.00 0.00 N ATOM 0 H LYS A 53 -15.069 -7.547 3.871 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.489 -9.256 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.220 -6.351 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.839 -6.735 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.172 -8.584 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.468 -6.936 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.517 -7.757 -2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.052 -7.229 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.155 -9.689 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.129 -10.039 -1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.573 -10.277 -1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.394 -9.548 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.569 -8.587 -2.023 1.00 0.00 H new ATOM 870 N TYR A 54 -12.035 -8.974 1.923 1.00 0.00 N ATOM 871 CA TYR A 54 -10.589 -8.895 2.303 1.00 0.00 C ATOM 872 C TYR A 54 -9.724 -8.955 1.040 1.00 0.00 C ATOM 873 O TYR A 54 -8.924 -8.074 0.786 1.00 0.00 O ATOM 874 CB TYR A 54 -10.230 -10.070 3.221 1.00 0.00 C ATOM 875 CG TYR A 54 -10.761 -9.820 4.615 1.00 0.00 C ATOM 876 CD1 TYR A 54 -10.420 -8.646 5.299 1.00 0.00 C ATOM 877 CD2 TYR A 54 -11.591 -10.768 5.225 1.00 0.00 C ATOM 878 CE1 TYR A 54 -10.910 -8.421 6.591 1.00 0.00 C ATOM 879 CE2 TYR A 54 -12.080 -10.543 6.517 1.00 0.00 C ATOM 880 CZ TYR A 54 -11.740 -9.369 7.200 1.00 0.00 C ATOM 881 OH TYR A 54 -12.222 -9.148 8.475 1.00 0.00 O ATOM 0 H TYR A 54 -12.260 -9.699 1.241 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.406 -7.957 2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.650 -10.994 2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.148 -10.200 3.253 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.779 -7.914 4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.854 -11.673 4.698 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.647 -7.516 7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.720 -11.275 6.987 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.784 -9.903 8.748 1.00 0.00 H new ATOM 891 N GLY A 55 -9.878 -9.993 0.249 1.00 0.00 N ATOM 892 CA GLY A 55 -9.070 -10.124 -1.000 1.00 0.00 C ATOM 893 C GLY A 55 -10.007 -10.330 -2.198 1.00 0.00 C ATOM 894 O GLY A 55 -10.800 -11.254 -2.203 1.00 0.00 O ATOM 0 H GLY A 55 -10.533 -10.756 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.464 -9.230 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.382 -10.965 -0.914 1.00 0.00 H new ATOM 898 N PRO A 56 -9.887 -9.456 -3.178 1.00 0.00 N ATOM 899 CA PRO A 56 -10.717 -9.507 -4.408 1.00 0.00 C ATOM 900 C PRO A 56 -10.432 -10.786 -5.223 1.00 0.00 C ATOM 901 O PRO A 56 -10.009 -11.795 -4.687 1.00 0.00 O ATOM 902 CB PRO A 56 -10.307 -8.254 -5.201 1.00 0.00 C ATOM 903 CG PRO A 56 -9.182 -7.536 -4.413 1.00 0.00 C ATOM 904 CD PRO A 56 -8.922 -8.340 -3.133 1.00 0.00 C ATOM 0 HA PRO A 56 -11.783 -9.528 -4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.959 -8.530 -6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.162 -7.591 -5.335 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.275 -7.471 -5.015 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.477 -6.515 -4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.896 -8.707 -3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.070 -7.726 -2.245 1.00 0.00 H new ATOM 912 N GLU A 57 -10.665 -10.746 -6.517 1.00 0.00 N ATOM 913 CA GLU A 57 -10.411 -11.947 -7.376 1.00 0.00 C ATOM 914 C GLU A 57 -9.344 -11.604 -8.422 1.00 0.00 C ATOM 915 O GLU A 57 -8.281 -12.198 -8.443 1.00 0.00 O ATOM 916 CB GLU A 57 -11.708 -12.405 -8.075 1.00 0.00 C ATOM 917 CG GLU A 57 -12.639 -11.212 -8.350 1.00 0.00 C ATOM 918 CD GLU A 57 -13.740 -11.157 -7.285 1.00 0.00 C ATOM 919 OE1 GLU A 57 -14.711 -11.885 -7.424 1.00 0.00 O ATOM 920 OE2 GLU A 57 -13.598 -10.385 -6.349 1.00 0.00 O ATOM 0 H GLU A 57 -11.021 -9.930 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.059 -12.764 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.463 -12.903 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.223 -13.136 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.068 -10.284 -8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.083 -11.306 -9.341 1.00 0.00 H new ATOM 927 N ALA A 58 -9.612 -10.642 -9.277 1.00 0.00 N ATOM 928 CA ALA A 58 -8.608 -10.244 -10.311 1.00 0.00 C ATOM 929 C ALA A 58 -7.608 -9.275 -9.676 1.00 0.00 C ATOM 930 O ALA A 58 -6.407 -9.447 -9.792 1.00 0.00 O ATOM 931 CB ALA A 58 -9.316 -9.558 -11.481 1.00 0.00 C ATOM 0 H ALA A 58 -10.486 -10.116 -9.301 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.087 -11.127 -10.681 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.581 -9.269 -12.232 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.037 -10.245 -11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.835 -8.670 -11.122 1.00 0.00 H new ATOM 937 N SER A 59 -8.099 -8.268 -8.989 1.00 0.00 N ATOM 938 CA SER A 59 -7.188 -7.290 -8.318 1.00 0.00 C ATOM 939 C SER A 59 -6.504 -7.966 -7.117 1.00 0.00 C ATOM 940 O SER A 59 -5.484 -7.501 -6.643 1.00 0.00 O ATOM 941 CB SER A 59 -7.984 -6.066 -7.843 1.00 0.00 C ATOM 942 OG SER A 59 -9.216 -6.484 -7.269 1.00 0.00 O ATOM 0 H SER A 59 -9.094 -8.083 -8.865 1.00 0.00 H new ATOM 0 HA SER A 59 -6.430 -6.962 -9.029 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.403 -5.505 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.172 -5.396 -8.682 1.00 0.00 H new ATOM 0 HG SER A 59 -9.719 -5.699 -6.966 1.00 0.00 H new ATOM 948 N ALA A 60 -7.050 -9.069 -6.635 1.00 0.00 N ATOM 949 CA ALA A 60 -6.422 -9.789 -5.480 1.00 0.00 C ATOM 950 C ALA A 60 -4.996 -10.209 -5.859 1.00 0.00 C ATOM 951 O ALA A 60 -4.108 -10.214 -5.027 1.00 0.00 O ATOM 952 CB ALA A 60 -7.241 -11.034 -5.135 1.00 0.00 C ATOM 0 H ALA A 60 -7.903 -9.497 -6.996 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.395 -9.126 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.779 -11.552 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.255 -10.739 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.273 -11.699 -5.998 1.00 0.00 H new ATOM 958 N PHE A 61 -4.771 -10.543 -7.114 1.00 0.00 N ATOM 959 CA PHE A 61 -3.397 -10.942 -7.561 1.00 0.00 C ATOM 960 C PHE A 61 -2.438 -9.776 -7.301 1.00 0.00 C ATOM 961 O PHE A 61 -1.317 -9.966 -6.865 1.00 0.00 O ATOM 962 CB PHE A 61 -3.415 -11.266 -9.060 1.00 0.00 C ATOM 963 CG PHE A 61 -4.186 -12.545 -9.296 1.00 0.00 C ATOM 964 CD1 PHE A 61 -3.687 -13.763 -8.817 1.00 0.00 C ATOM 965 CD2 PHE A 61 -5.399 -12.512 -9.995 1.00 0.00 C ATOM 966 CE1 PHE A 61 -4.399 -14.947 -9.038 1.00 0.00 C ATOM 967 CE2 PHE A 61 -6.111 -13.696 -10.215 1.00 0.00 C ATOM 968 CZ PHE A 61 -5.612 -14.914 -9.737 1.00 0.00 C ATOM 0 H PHE A 61 -5.482 -10.555 -7.845 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.070 -11.824 -7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.873 -10.446 -9.613 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.396 -11.371 -9.431 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.752 -13.788 -8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.785 -11.573 -10.364 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.013 -15.886 -8.670 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.047 -13.671 -10.754 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.162 -15.827 -9.907 1.00 0.00 H new ATOM 978 N THR A 62 -2.891 -8.567 -7.547 1.00 0.00 N ATOM 979 CA THR A 62 -2.043 -7.362 -7.299 1.00 0.00 C ATOM 980 C THR A 62 -1.885 -7.175 -5.782 1.00 0.00 C ATOM 981 O THR A 62 -0.866 -6.696 -5.317 1.00 0.00 O ATOM 982 CB THR A 62 -2.704 -6.123 -7.919 1.00 0.00 C ATOM 983 OG1 THR A 62 -2.814 -6.300 -9.325 1.00 0.00 O ATOM 984 CG2 THR A 62 -1.858 -4.883 -7.625 1.00 0.00 C ATOM 0 H THR A 62 -3.822 -8.366 -7.913 1.00 0.00 H new ATOM 0 HA THR A 62 -1.063 -7.496 -7.756 1.00 0.00 H new ATOM 0 HB THR A 62 -3.697 -5.990 -7.488 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.237 -5.510 -9.722 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.331 -4.006 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.776 -4.746 -6.547 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.863 -5.012 -8.051 1.00 0.00 H new ATOM 992 N LYS A 63 -2.876 -7.585 -5.008 1.00 0.00 N ATOM 993 CA LYS A 63 -2.777 -7.474 -3.518 1.00 0.00 C ATOM 994 C LYS A 63 -1.527 -8.237 -3.072 1.00 0.00 C ATOM 995 O LYS A 63 -0.813 -7.821 -2.178 1.00 0.00 O ATOM 996 CB LYS A 63 -4.022 -8.096 -2.873 1.00 0.00 C ATOM 997 CG LYS A 63 -4.289 -7.434 -1.519 1.00 0.00 C ATOM 998 CD LYS A 63 -5.693 -7.804 -1.035 1.00 0.00 C ATOM 999 CE LYS A 63 -5.678 -9.212 -0.432 1.00 0.00 C ATOM 1000 NZ LYS A 63 -6.079 -9.147 1.004 1.00 0.00 N ATOM 0 H LYS A 63 -3.747 -7.991 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.712 -6.429 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.884 -7.968 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.878 -9.168 -2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.545 -7.758 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.197 -6.351 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.033 -7.083 -0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.397 -7.761 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.360 -9.861 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.682 -9.647 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.019 -10.096 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.442 -8.502 1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.056 -8.798 1.076 1.00 0.00 H new ATOM 1014 N LYS A 64 -1.249 -9.336 -3.736 1.00 0.00 N ATOM 1015 CA LYS A 64 -0.039 -10.137 -3.433 1.00 0.00 C ATOM 1016 C LYS A 64 1.144 -9.450 -4.128 1.00 0.00 C ATOM 1017 O LYS A 64 1.236 -8.237 -4.094 1.00 0.00 O ATOM 1018 CB LYS A 64 -0.245 -11.560 -3.966 1.00 0.00 C ATOM 1019 CG LYS A 64 -1.165 -12.330 -3.018 1.00 0.00 C ATOM 1020 CD LYS A 64 -2.539 -12.508 -3.666 1.00 0.00 C ATOM 1021 CE LYS A 64 -3.230 -13.741 -3.079 1.00 0.00 C ATOM 1022 NZ LYS A 64 -4.016 -13.348 -1.872 1.00 0.00 N ATOM 0 H LYS A 64 -1.827 -9.711 -4.488 1.00 0.00 H new ATOM 0 HA LYS A 64 0.152 -10.201 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.680 -11.526 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.714 -12.070 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.732 -13.303 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.264 -11.793 -2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.150 -11.621 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.431 -12.619 -4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.888 -14.190 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.488 -14.494 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.485 -14.187 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.378 -12.938 -1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.734 -12.644 -2.139 1.00 0.00 H new ATOM 1036 N MET A 65 2.036 -10.190 -4.765 1.00 0.00 N ATOM 1037 CA MET A 65 3.200 -9.553 -5.464 1.00 0.00 C ATOM 1038 C MET A 65 4.134 -8.921 -4.416 1.00 0.00 C ATOM 1039 O MET A 65 5.275 -9.321 -4.271 1.00 0.00 O ATOM 1040 CB MET A 65 2.672 -8.502 -6.472 1.00 0.00 C ATOM 1041 CG MET A 65 3.595 -7.278 -6.546 1.00 0.00 C ATOM 1042 SD MET A 65 2.777 -5.866 -5.758 1.00 0.00 S ATOM 1043 CE MET A 65 1.687 -5.436 -7.136 1.00 0.00 C ATOM 0 H MET A 65 2.003 -11.208 -4.827 1.00 0.00 H new ATOM 0 HA MET A 65 3.771 -10.297 -6.019 1.00 0.00 H new ATOM 0 HB2 MET A 65 2.587 -8.955 -7.460 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.671 -8.186 -6.179 1.00 0.00 H new ATOM 0 HG2 MET A 65 4.541 -7.490 -6.047 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.828 -7.045 -7.585 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.197 -4.485 -6.929 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.273 -5.350 -8.051 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.933 -6.213 -7.260 1.00 0.00 H new ATOM 1053 N LEU A 66 3.646 -7.954 -3.682 1.00 0.00 N ATOM 1054 CA LEU A 66 4.460 -7.288 -2.631 1.00 0.00 C ATOM 1055 C LEU A 66 4.341 -8.080 -1.316 1.00 0.00 C ATOM 1056 O LEU A 66 5.172 -7.939 -0.437 1.00 0.00 O ATOM 1057 CB LEU A 66 3.936 -5.848 -2.452 1.00 0.00 C ATOM 1058 CG LEU A 66 4.163 -5.340 -1.019 1.00 0.00 C ATOM 1059 CD1 LEU A 66 5.593 -4.815 -0.874 1.00 0.00 C ATOM 1060 CD2 LEU A 66 3.177 -4.207 -0.725 1.00 0.00 C ATOM 0 H LEU A 66 2.696 -7.593 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 66 5.511 -7.256 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.439 -5.186 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.872 -5.815 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 66 4.008 -6.159 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.748 -4.456 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.299 -5.618 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.753 -3.996 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.334 -3.843 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.337 -3.393 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.157 -4.578 -0.824 1.00 0.00 H new ATOM 1072 N GLU A 67 3.319 -8.908 -1.164 1.00 0.00 N ATOM 1073 CA GLU A 67 3.172 -9.681 0.112 1.00 0.00 C ATOM 1074 C GLU A 67 4.088 -10.923 0.125 1.00 0.00 C ATOM 1075 O GLU A 67 4.151 -11.632 1.114 1.00 0.00 O ATOM 1076 CB GLU A 67 1.705 -10.103 0.291 1.00 0.00 C ATOM 1077 CG GLU A 67 1.406 -11.385 -0.502 1.00 0.00 C ATOM 1078 CD GLU A 67 0.161 -12.070 0.077 1.00 0.00 C ATOM 1079 OE1 GLU A 67 -0.889 -11.445 0.092 1.00 0.00 O ATOM 1080 OE2 GLU A 67 0.280 -13.209 0.497 1.00 0.00 O ATOM 0 H GLU A 67 2.594 -9.075 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 67 3.472 -9.038 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.495 -10.266 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.048 -9.301 -0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.246 -11.145 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.260 -12.061 -0.456 1.00 0.00 H new ATOM 1087 N ASN A 68 4.783 -11.202 -0.959 1.00 0.00 N ATOM 1088 CA ASN A 68 5.670 -12.411 -0.991 1.00 0.00 C ATOM 1089 C ASN A 68 7.053 -12.081 -1.589 1.00 0.00 C ATOM 1090 O ASN A 68 8.053 -12.634 -1.167 1.00 0.00 O ATOM 1091 CB ASN A 68 4.993 -13.510 -1.823 1.00 0.00 C ATOM 1092 CG ASN A 68 4.872 -13.074 -3.289 1.00 0.00 C ATOM 1093 OD1 ASN A 68 4.017 -12.142 -3.623 1.00 0.00 O flip ATOM 1094 ND2 ASN A 68 5.566 -13.589 -4.144 1.00 0.00 N flip ATOM 0 H ASN A 68 4.773 -10.648 -1.815 1.00 0.00 H new ATOM 0 HA ASN A 68 5.823 -12.754 0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.571 -14.432 -1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.004 -13.724 -1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.234 -14.316 -3.889 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.480 -13.294 -5.117 1.00 0.00 H new ATOM 1101 N ALA A 69 7.120 -11.207 -2.571 1.00 0.00 N ATOM 1102 CA ALA A 69 8.440 -10.864 -3.199 1.00 0.00 C ATOM 1103 C ALA A 69 9.349 -10.144 -2.199 1.00 0.00 C ATOM 1104 O ALA A 69 8.894 -9.408 -1.340 1.00 0.00 O ATOM 1105 CB ALA A 69 8.208 -9.961 -4.411 1.00 0.00 C ATOM 0 H ALA A 69 6.317 -10.717 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 69 8.926 -11.789 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.166 -9.711 -4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.584 -10.481 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.709 -9.046 -4.093 1.00 0.00 H new ATOM 1111 N LYS A 70 10.640 -10.347 -2.327 1.00 0.00 N ATOM 1112 CA LYS A 70 11.617 -9.680 -1.413 1.00 0.00 C ATOM 1113 C LYS A 70 12.186 -8.452 -2.127 1.00 0.00 C ATOM 1114 O LYS A 70 12.174 -7.355 -1.599 1.00 0.00 O ATOM 1115 CB LYS A 70 12.750 -10.653 -1.069 1.00 0.00 C ATOM 1116 CG LYS A 70 13.442 -10.203 0.219 1.00 0.00 C ATOM 1117 CD LYS A 70 14.625 -11.128 0.517 1.00 0.00 C ATOM 1118 CE LYS A 70 14.154 -12.303 1.377 1.00 0.00 C ATOM 1119 NZ LYS A 70 15.033 -13.483 1.135 1.00 0.00 N ATOM 0 H LYS A 70 11.060 -10.952 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 70 11.122 -9.379 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.353 -11.661 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.470 -10.691 -1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.788 -9.174 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.735 -10.221 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.056 -11.496 -0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.409 -10.576 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.179 -12.028 2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.120 -12.551 1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.712 -14.281 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.988 -13.750 0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.013 -13.243 1.385 1.00 0.00 H new ATOM 1133 N LYS A 71 12.648 -8.631 -3.343 1.00 0.00 N ATOM 1134 CA LYS A 71 13.184 -7.480 -4.133 1.00 0.00 C ATOM 1135 C LYS A 71 11.999 -6.823 -4.837 1.00 0.00 C ATOM 1136 O LYS A 71 11.097 -7.510 -5.285 1.00 0.00 O ATOM 1137 CB LYS A 71 14.189 -7.982 -5.175 1.00 0.00 C ATOM 1138 CG LYS A 71 15.584 -7.449 -4.839 1.00 0.00 C ATOM 1139 CD LYS A 71 16.612 -8.074 -5.786 1.00 0.00 C ATOM 1140 CE LYS A 71 17.906 -7.258 -5.749 1.00 0.00 C ATOM 1141 NZ LYS A 71 18.737 -7.687 -4.586 1.00 0.00 N ATOM 0 H LYS A 71 12.676 -9.531 -3.823 1.00 0.00 H new ATOM 0 HA LYS A 71 13.693 -6.770 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.199 -9.072 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.892 -7.652 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.602 -6.363 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.836 -7.685 -3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.812 -9.105 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.217 -8.102 -6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.462 -7.397 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.675 -6.195 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.616 -7.131 -4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.207 -7.533 -3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.969 -8.697 -4.678 1.00 0.00 H new ATOM 1155 N ILE A 72 11.962 -5.513 -4.930 1.00 0.00 N ATOM 1156 CA ILE A 72 10.793 -4.877 -5.592 1.00 0.00 C ATOM 1157 C ILE A 72 11.196 -3.591 -6.300 1.00 0.00 C ATOM 1158 O ILE A 72 11.603 -2.629 -5.689 1.00 0.00 O ATOM 1159 CB ILE A 72 9.718 -4.578 -4.542 1.00 0.00 C ATOM 1160 CG1 ILE A 72 8.992 -5.880 -4.176 1.00 0.00 C ATOM 1161 CG2 ILE A 72 8.707 -3.558 -5.084 1.00 0.00 C ATOM 1162 CD1 ILE A 72 7.827 -5.587 -3.227 1.00 0.00 C ATOM 0 H ILE A 72 12.677 -4.874 -4.582 1.00 0.00 H new ATOM 0 HA ILE A 72 10.400 -5.565 -6.340 1.00 0.00 H new ATOM 0 HB ILE A 72 10.194 -4.158 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.622 -6.365 -5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.689 -6.573 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.951 -3.357 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.224 -2.632 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.228 -3.960 -5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.320 -6.518 -2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.207 -5.123 -2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.123 -4.911 -3.713 1.00 0.00 H new ATOM 1174 N GLU A 73 11.032 -3.570 -7.587 1.00 0.00 N ATOM 1175 CA GLU A 73 11.355 -2.353 -8.378 1.00 0.00 C ATOM 1176 C GLU A 73 10.125 -1.435 -8.384 1.00 0.00 C ATOM 1177 O GLU A 73 9.371 -1.398 -9.342 1.00 0.00 O ATOM 1178 CB GLU A 73 11.720 -2.762 -9.809 1.00 0.00 C ATOM 1179 CG GLU A 73 13.064 -3.498 -9.804 1.00 0.00 C ATOM 1180 CD GLU A 73 14.132 -2.630 -10.476 1.00 0.00 C ATOM 1181 OE1 GLU A 73 14.595 -1.694 -9.844 1.00 0.00 O ATOM 1182 OE2 GLU A 73 14.471 -2.918 -11.613 1.00 0.00 O ATOM 0 H GLU A 73 10.682 -4.356 -8.135 1.00 0.00 H new ATOM 0 HA GLU A 73 12.201 -1.825 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.943 -3.404 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.779 -1.880 -10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.360 -3.728 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.971 -4.448 -10.330 1.00 0.00 H new ATOM 1189 N VAL A 74 9.910 -0.709 -7.302 1.00 0.00 N ATOM 1190 CA VAL A 74 8.717 0.206 -7.219 1.00 0.00 C ATOM 1191 C VAL A 74 8.646 1.074 -8.480 1.00 0.00 C ATOM 1192 O VAL A 74 9.505 1.901 -8.731 1.00 0.00 O ATOM 1193 CB VAL A 74 8.777 1.136 -5.985 1.00 0.00 C ATOM 1194 CG1 VAL A 74 7.418 1.139 -5.292 1.00 0.00 C ATOM 1195 CG2 VAL A 74 9.837 0.684 -4.980 1.00 0.00 C ATOM 0 H VAL A 74 10.508 -0.712 -6.476 1.00 0.00 H new ATOM 0 HA VAL A 74 7.833 -0.425 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 74 9.041 2.134 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.455 1.793 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.657 1.499 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.169 0.126 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.845 1.365 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.606 -0.324 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.817 0.688 -5.458 1.00 0.00 H new ATOM 1205 N GLU A 75 7.620 0.881 -9.267 1.00 0.00 N ATOM 1206 CA GLU A 75 7.452 1.671 -10.519 1.00 0.00 C ATOM 1207 C GLU A 75 6.366 2.727 -10.287 1.00 0.00 C ATOM 1208 O GLU A 75 5.185 2.422 -10.312 1.00 0.00 O ATOM 1209 CB GLU A 75 7.041 0.707 -11.641 1.00 0.00 C ATOM 1210 CG GLU A 75 6.843 1.469 -12.952 1.00 0.00 C ATOM 1211 CD GLU A 75 7.057 0.517 -14.137 1.00 0.00 C ATOM 1212 OE1 GLU A 75 8.202 0.219 -14.439 1.00 0.00 O ATOM 1213 OE2 GLU A 75 6.072 0.106 -14.729 1.00 0.00 O ATOM 0 H GLU A 75 6.882 0.199 -9.091 1.00 0.00 H new ATOM 0 HA GLU A 75 8.378 2.174 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.806 -0.059 -11.770 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.119 0.194 -11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.840 1.894 -12.990 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.544 2.302 -13.010 1.00 0.00 H new ATOM 1220 N PHE A 76 6.750 3.964 -10.040 1.00 0.00 N ATOM 1221 CA PHE A 76 5.721 5.018 -9.786 1.00 0.00 C ATOM 1222 C PHE A 76 6.101 6.357 -10.447 1.00 0.00 C ATOM 1223 O PHE A 76 6.109 7.393 -9.809 1.00 0.00 O ATOM 1224 CB PHE A 76 5.511 5.187 -8.273 1.00 0.00 C ATOM 1225 CG PHE A 76 6.806 5.500 -7.546 1.00 0.00 C ATOM 1226 CD1 PHE A 76 7.719 4.475 -7.258 1.00 0.00 C ATOM 1227 CD2 PHE A 76 7.083 6.813 -7.147 1.00 0.00 C ATOM 1228 CE1 PHE A 76 8.908 4.768 -6.580 1.00 0.00 C ATOM 1229 CE2 PHE A 76 8.272 7.104 -6.470 1.00 0.00 C ATOM 1230 CZ PHE A 76 9.186 6.083 -6.187 1.00 0.00 C ATOM 0 H PHE A 76 7.719 4.281 -10.005 1.00 0.00 H new ATOM 0 HA PHE A 76 4.783 4.696 -10.239 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.793 5.988 -8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.078 4.274 -7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.505 3.460 -7.559 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.378 7.602 -7.362 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.612 3.979 -6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.485 8.118 -6.165 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.105 6.309 -5.666 1.00 0.00 H new ATOM 1240 N ASP A 77 6.376 6.325 -11.737 1.00 0.00 N ATOM 1241 CA ASP A 77 6.729 7.563 -12.528 1.00 0.00 C ATOM 1242 C ASP A 77 7.740 8.471 -11.802 1.00 0.00 C ATOM 1243 O ASP A 77 8.257 8.147 -10.746 1.00 0.00 O ATOM 1244 CB ASP A 77 5.441 8.357 -12.856 1.00 0.00 C ATOM 1245 CG ASP A 77 4.922 9.131 -11.634 1.00 0.00 C ATOM 1246 OD1 ASP A 77 5.417 10.220 -11.386 1.00 0.00 O ATOM 1247 OD2 ASP A 77 4.017 8.634 -10.983 1.00 0.00 O ATOM 0 H ASP A 77 6.371 5.469 -12.291 1.00 0.00 H new ATOM 0 HA ASP A 77 7.210 7.231 -13.448 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.641 9.054 -13.670 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.670 7.671 -13.206 1.00 0.00 H new ATOM 1252 N LYS A 78 8.032 9.611 -12.390 1.00 0.00 N ATOM 1253 CA LYS A 78 9.006 10.569 -11.771 1.00 0.00 C ATOM 1254 C LYS A 78 8.407 11.175 -10.485 1.00 0.00 C ATOM 1255 O LYS A 78 7.659 12.136 -10.529 1.00 0.00 O ATOM 1256 CB LYS A 78 9.330 11.695 -12.769 1.00 0.00 C ATOM 1257 CG LYS A 78 8.044 12.432 -13.175 1.00 0.00 C ATOM 1258 CD LYS A 78 7.942 12.502 -14.699 1.00 0.00 C ATOM 1259 CE LYS A 78 6.567 13.042 -15.099 1.00 0.00 C ATOM 1260 NZ LYS A 78 6.455 13.071 -16.587 1.00 0.00 N ATOM 0 H LYS A 78 7.634 9.919 -13.277 1.00 0.00 H new ATOM 0 HA LYS A 78 9.921 10.032 -11.519 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.034 12.397 -12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.814 11.279 -13.653 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.175 11.916 -12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.043 13.438 -12.755 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.726 13.146 -15.097 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.094 11.512 -15.129 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.782 12.415 -14.677 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.427 14.044 -14.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.534 13.470 -16.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.216 13.660 -16.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.537 12.104 -16.960 1.00 0.00 H new ATOM 1274 N GLY A 79 8.731 10.621 -9.338 1.00 0.00 N ATOM 1275 CA GLY A 79 8.192 11.166 -8.059 1.00 0.00 C ATOM 1276 C GLY A 79 6.802 10.588 -7.775 1.00 0.00 C ATOM 1277 O GLY A 79 6.120 10.099 -8.657 1.00 0.00 O ATOM 0 H GLY A 79 9.347 9.814 -9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.868 10.923 -7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.136 12.253 -8.115 1.00 0.00 H new ATOM 1281 N GLN A 80 6.387 10.652 -6.538 1.00 0.00 N ATOM 1282 CA GLN A 80 5.044 10.123 -6.142 1.00 0.00 C ATOM 1283 C GLN A 80 3.934 11.024 -6.705 1.00 0.00 C ATOM 1284 O GLN A 80 2.856 10.552 -7.013 1.00 0.00 O ATOM 1285 CB GLN A 80 4.943 10.091 -4.615 1.00 0.00 C ATOM 1286 CG GLN A 80 5.631 8.831 -4.087 1.00 0.00 C ATOM 1287 CD GLN A 80 6.042 9.039 -2.625 1.00 0.00 C ATOM 1288 OE1 GLN A 80 7.173 8.788 -2.261 1.00 0.00 O ATOM 1289 NE2 GLN A 80 5.165 9.487 -1.766 1.00 0.00 N ATOM 0 H GLN A 80 6.928 11.054 -5.772 1.00 0.00 H new ATOM 0 HA GLN A 80 4.925 9.117 -6.543 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.410 10.979 -4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.897 10.103 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.958 7.977 -4.167 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.508 8.604 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.215 9.698 -2.071 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.431 9.626 -0.791 1.00 0.00 H new ATOM 1298 N ARG A 81 4.199 12.314 -6.830 1.00 0.00 N ATOM 1299 CA ARG A 81 3.182 13.286 -7.371 1.00 0.00 C ATOM 1300 C ARG A 81 2.234 13.753 -6.253 1.00 0.00 C ATOM 1301 O ARG A 81 1.933 14.928 -6.149 1.00 0.00 O ATOM 1302 CB ARG A 81 2.368 12.643 -8.505 1.00 0.00 C ATOM 1303 CG ARG A 81 1.735 13.735 -9.372 1.00 0.00 C ATOM 1304 CD ARG A 81 2.807 14.375 -10.262 1.00 0.00 C ATOM 1305 NE ARG A 81 2.834 15.857 -10.052 1.00 0.00 N ATOM 1306 CZ ARG A 81 1.721 16.525 -9.876 1.00 0.00 C ATOM 1307 NH1 ARG A 81 0.949 16.787 -10.898 1.00 0.00 N ATOM 1308 NH2 ARG A 81 1.385 16.929 -8.678 1.00 0.00 N ATOM 0 H ARG A 81 5.091 12.738 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 81 3.717 14.149 -7.766 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.013 12.010 -9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.592 12.000 -8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.943 13.310 -9.989 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.274 14.493 -8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.784 13.950 -10.031 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.602 14.152 -11.309 1.00 0.00 H new ATOM 0 HE ARG A 81 3.727 16.351 -10.046 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.214 16.471 -11.831 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.082 17.307 -10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.989 16.724 -7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.519 17.449 -8.540 1.00 0.00 H new ATOM 1322 N THR A 82 1.761 12.850 -5.423 1.00 0.00 N ATOM 1323 CA THR A 82 0.829 13.248 -4.318 1.00 0.00 C ATOM 1324 C THR A 82 1.627 13.485 -3.025 1.00 0.00 C ATOM 1325 O THR A 82 2.137 14.569 -2.804 1.00 0.00 O ATOM 1326 CB THR A 82 -0.226 12.153 -4.104 1.00 0.00 C ATOM 1327 OG1 THR A 82 0.354 10.873 -4.326 1.00 0.00 O ATOM 1328 CG2 THR A 82 -1.384 12.373 -5.080 1.00 0.00 C ATOM 0 H THR A 82 1.981 11.855 -5.464 1.00 0.00 H new ATOM 0 HA THR A 82 0.320 14.173 -4.591 1.00 0.00 H new ATOM 0 HB THR A 82 -0.597 12.200 -3.080 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.533 10.441 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.136 11.598 -4.933 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.830 13.351 -4.900 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.011 12.327 -6.103 1.00 0.00 H new ATOM 1336 N ASP A 83 1.730 12.484 -2.171 1.00 0.00 N ATOM 1337 CA ASP A 83 2.486 12.633 -0.883 1.00 0.00 C ATOM 1338 C ASP A 83 1.796 13.653 0.048 1.00 0.00 C ATOM 1339 O ASP A 83 2.321 13.992 1.094 1.00 0.00 O ATOM 1340 CB ASP A 83 3.926 13.085 -1.179 1.00 0.00 C ATOM 1341 CG ASP A 83 4.821 12.813 0.036 1.00 0.00 C ATOM 1342 OD1 ASP A 83 5.138 11.658 0.271 1.00 0.00 O ATOM 1343 OD2 ASP A 83 5.178 13.767 0.710 1.00 0.00 O ATOM 0 H ASP A 83 1.317 11.563 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 83 2.502 11.667 -0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.311 12.555 -2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.940 14.148 -1.421 1.00 0.00 H new ATOM 1348 N LYS A 84 0.622 14.131 -0.310 1.00 0.00 N ATOM 1349 CA LYS A 84 -0.100 15.113 0.560 1.00 0.00 C ATOM 1350 C LYS A 84 -1.599 14.765 0.592 1.00 0.00 C ATOM 1351 O LYS A 84 -2.431 15.595 0.914 1.00 0.00 O ATOM 1352 CB LYS A 84 0.091 16.531 0.001 1.00 0.00 C ATOM 1353 CG LYS A 84 1.579 16.904 0.017 1.00 0.00 C ATOM 1354 CD LYS A 84 2.026 17.198 1.452 1.00 0.00 C ATOM 1355 CE LYS A 84 3.527 16.924 1.591 1.00 0.00 C ATOM 1356 NZ LYS A 84 3.771 16.077 2.794 1.00 0.00 N ATOM 0 H LYS A 84 0.135 13.880 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 84 0.302 15.068 1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.295 16.585 -1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.478 17.245 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.172 16.089 -0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.751 17.777 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.811 18.236 1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.467 16.577 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.900 16.422 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.072 17.864 1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.793 16.018 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.297 16.499 3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.393 15.122 2.629 1.00 0.00 H new ATOM 1370 N TYR A 85 -1.934 13.534 0.261 1.00 0.00 N ATOM 1371 CA TYR A 85 -3.360 13.074 0.250 1.00 0.00 C ATOM 1372 C TYR A 85 -3.423 11.768 -0.549 1.00 0.00 C ATOM 1373 O TYR A 85 -4.073 10.816 -0.155 1.00 0.00 O ATOM 1374 CB TYR A 85 -4.269 14.127 -0.420 1.00 0.00 C ATOM 1375 CG TYR A 85 -5.442 13.438 -1.086 1.00 0.00 C ATOM 1376 CD1 TYR A 85 -6.489 12.926 -0.308 1.00 0.00 C ATOM 1377 CD2 TYR A 85 -5.467 13.290 -2.478 1.00 0.00 C ATOM 1378 CE1 TYR A 85 -7.559 12.267 -0.924 1.00 0.00 C ATOM 1379 CE2 TYR A 85 -6.538 12.634 -3.093 1.00 0.00 C ATOM 1380 CZ TYR A 85 -7.584 12.120 -2.316 1.00 0.00 C ATOM 1381 OH TYR A 85 -8.640 11.469 -2.922 1.00 0.00 O ATOM 0 H TYR A 85 -1.261 12.816 -0.007 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.707 12.927 1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.627 14.839 0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.702 14.695 -1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.470 13.040 0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.659 13.683 -3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -8.366 11.872 -0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.559 12.524 -4.167 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.502 11.455 -3.892 1.00 0.00 H new ATOM 1391 N GLY A 86 -2.740 11.728 -1.673 1.00 0.00 N ATOM 1392 CA GLY A 86 -2.735 10.503 -2.521 1.00 0.00 C ATOM 1393 C GLY A 86 -1.704 9.495 -1.995 1.00 0.00 C ATOM 1394 O GLY A 86 -1.431 8.500 -2.639 1.00 0.00 O ATOM 0 H GLY A 86 -2.183 12.502 -2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.727 10.051 -2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.502 10.767 -3.552 1.00 0.00 H new ATOM 1398 N ARG A 87 -1.129 9.745 -0.834 1.00 0.00 N ATOM 1399 CA ARG A 87 -0.112 8.809 -0.266 1.00 0.00 C ATOM 1400 C ARG A 87 1.035 8.635 -1.262 1.00 0.00 C ATOM 1401 O ARG A 87 1.400 9.545 -1.985 1.00 0.00 O ATOM 1402 CB ARG A 87 -0.742 7.434 -0.017 1.00 0.00 C ATOM 1403 CG ARG A 87 -2.037 7.558 0.769 1.00 0.00 C ATOM 1404 CD ARG A 87 -3.234 7.261 -0.147 1.00 0.00 C ATOM 1405 NE ARG A 87 -2.995 5.996 -0.910 1.00 0.00 N ATOM 1406 CZ ARG A 87 -3.984 5.401 -1.522 1.00 0.00 C ATOM 1407 NH1 ARG A 87 -4.827 4.667 -0.842 1.00 0.00 N ATOM 1408 NH2 ARG A 87 -4.128 5.538 -2.814 1.00 0.00 N ATOM 0 H ARG A 87 -1.326 10.563 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 87 0.257 9.224 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.937 6.942 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.041 6.803 0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.030 6.864 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.126 8.562 1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.143 7.170 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.387 8.089 -0.839 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.057 5.597 -0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.712 4.559 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.599 4.202 -1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.469 6.109 -3.343 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.900 5.074 -3.293 1.00 0.00 H new ATOM 1422 N VAL A 88 1.588 7.455 -1.298 1.00 0.00 N ATOM 1423 CA VAL A 88 2.693 7.147 -2.224 1.00 0.00 C ATOM 1424 C VAL A 88 2.103 6.504 -3.482 1.00 0.00 C ATOM 1425 O VAL A 88 2.241 5.312 -3.690 1.00 0.00 O ATOM 1426 CB VAL A 88 3.613 6.147 -1.534 1.00 0.00 C ATOM 1427 CG1 VAL A 88 4.826 5.851 -2.421 1.00 0.00 C ATOM 1428 CG2 VAL A 88 4.083 6.714 -0.194 1.00 0.00 C ATOM 0 H VAL A 88 1.306 6.675 -0.704 1.00 0.00 H new ATOM 0 HA VAL A 88 3.245 8.048 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 88 3.063 5.222 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.478 5.135 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.490 5.433 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.375 6.774 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.740 5.995 0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.625 7.645 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.219 6.907 0.442 1.00 0.00 H new ATOM 1438 N LEU A 89 1.446 7.274 -4.321 1.00 0.00 N ATOM 1439 CA LEU A 89 0.861 6.683 -5.568 1.00 0.00 C ATOM 1440 C LEU A 89 1.994 5.969 -6.311 1.00 0.00 C ATOM 1441 O LEU A 89 2.805 6.590 -6.977 1.00 0.00 O ATOM 1442 CB LEU A 89 0.263 7.788 -6.452 1.00 0.00 C ATOM 1443 CG LEU A 89 -0.862 8.515 -5.702 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -1.380 9.666 -6.563 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -2.012 7.547 -5.410 1.00 0.00 C ATOM 0 H LEU A 89 1.291 8.275 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 89 0.062 5.984 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.040 8.498 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.125 7.356 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.471 8.900 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.179 10.185 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.567 10.363 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.764 9.272 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.804 8.073 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.404 7.154 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.647 6.724 -4.796 1.00 0.00 H new ATOM 1457 N ALA A 90 2.081 4.669 -6.149 1.00 0.00 N ATOM 1458 CA ALA A 90 3.186 3.906 -6.784 1.00 0.00 C ATOM 1459 C ALA A 90 2.846 2.417 -6.882 1.00 0.00 C ATOM 1460 O ALA A 90 2.325 1.827 -5.951 1.00 0.00 O ATOM 1461 CB ALA A 90 4.432 4.062 -5.908 1.00 0.00 C ATOM 0 H ALA A 90 1.428 4.108 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 90 3.350 4.291 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.260 3.510 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.696 5.117 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.228 3.670 -4.912 1.00 0.00 H new ATOM 1467 N TYR A 91 3.189 1.800 -7.987 1.00 0.00 N ATOM 1468 CA TYR A 91 2.945 0.334 -8.137 1.00 0.00 C ATOM 1469 C TYR A 91 4.084 -0.404 -7.432 1.00 0.00 C ATOM 1470 O TYR A 91 5.069 0.202 -7.043 1.00 0.00 O ATOM 1471 CB TYR A 91 2.905 -0.046 -9.620 1.00 0.00 C ATOM 1472 CG TYR A 91 1.472 -0.016 -10.095 1.00 0.00 C ATOM 1473 CD1 TYR A 91 0.541 -0.925 -9.575 1.00 0.00 C ATOM 1474 CD2 TYR A 91 1.071 0.927 -11.046 1.00 0.00 C ATOM 1475 CE1 TYR A 91 -0.789 -0.889 -10.010 1.00 0.00 C ATOM 1476 CE2 TYR A 91 -0.258 0.962 -11.479 1.00 0.00 C ATOM 1477 CZ TYR A 91 -1.188 0.055 -10.960 1.00 0.00 C ATOM 1478 OH TYR A 91 -2.499 0.092 -11.390 1.00 0.00 O ATOM 0 H TYR A 91 3.627 2.250 -8.791 1.00 0.00 H new ATOM 0 HA TYR A 91 1.987 0.062 -7.695 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.510 0.648 -10.203 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.330 -1.039 -9.766 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.849 -1.653 -8.839 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.788 1.629 -11.446 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.507 -1.591 -9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.567 1.690 -12.215 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.607 0.808 -12.050 1.00 0.00 H new ATOM 1488 N ILE A 92 3.973 -1.696 -7.254 1.00 0.00 N ATOM 1489 CA ILE A 92 5.068 -2.439 -6.555 1.00 0.00 C ATOM 1490 C ILE A 92 5.409 -3.674 -7.373 1.00 0.00 C ATOM 1491 O ILE A 92 4.613 -4.587 -7.490 1.00 0.00 O ATOM 1492 CB ILE A 92 4.615 -2.838 -5.141 1.00 0.00 C ATOM 1493 CG1 ILE A 92 3.960 -1.636 -4.441 1.00 0.00 C ATOM 1494 CG2 ILE A 92 5.831 -3.286 -4.331 1.00 0.00 C ATOM 1495 CD1 ILE A 92 4.996 -0.526 -4.224 1.00 0.00 C ATOM 0 H ILE A 92 3.182 -2.264 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 92 5.950 -1.806 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 92 3.893 -3.651 -5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.133 -1.260 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.541 -1.946 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.515 -3.570 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.299 -4.141 -4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.548 -2.467 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.523 0.321 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.809 -0.903 -3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.394 -0.206 -5.187 1.00 0.00 H new ATOM 1507 N TYR A 93 6.570 -3.692 -7.980 1.00 0.00 N ATOM 1508 CA TYR A 93 6.935 -4.852 -8.841 1.00 0.00 C ATOM 1509 C TYR A 93 8.104 -5.641 -8.277 1.00 0.00 C ATOM 1510 O TYR A 93 8.876 -5.148 -7.493 1.00 0.00 O ATOM 1511 CB TYR A 93 7.297 -4.345 -10.236 1.00 0.00 C ATOM 1512 CG TYR A 93 6.118 -3.619 -10.838 1.00 0.00 C ATOM 1513 CD1 TYR A 93 4.822 -3.858 -10.364 1.00 0.00 C ATOM 1514 CD2 TYR A 93 6.321 -2.717 -11.877 1.00 0.00 C ATOM 1515 CE1 TYR A 93 3.738 -3.196 -10.924 1.00 0.00 C ATOM 1516 CE2 TYR A 93 5.235 -2.053 -12.444 1.00 0.00 C ATOM 1517 CZ TYR A 93 3.939 -2.290 -11.969 1.00 0.00 C ATOM 1518 OH TYR A 93 2.861 -1.633 -12.532 1.00 0.00 O ATOM 0 H TYR A 93 7.275 -2.957 -7.916 1.00 0.00 H new ATOM 0 HA TYR A 93 6.074 -5.520 -8.882 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.156 -3.677 -10.179 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.585 -5.181 -10.873 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.665 -4.561 -9.559 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.320 -2.531 -12.244 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.741 -3.381 -10.553 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.393 -1.354 -13.252 1.00 0.00 H new ATOM 0 HH TYR A 93 2.320 -1.226 -11.824 1.00 0.00 H new ATOM 1528 N ALA A 94 8.227 -6.877 -8.700 1.00 0.00 N ATOM 1529 CA ALA A 94 9.331 -7.747 -8.234 1.00 0.00 C ATOM 1530 C ALA A 94 9.660 -8.770 -9.335 1.00 0.00 C ATOM 1531 O ALA A 94 9.578 -8.468 -10.512 1.00 0.00 O ATOM 1532 CB ALA A 94 8.896 -8.460 -6.951 1.00 0.00 C ATOM 0 H ALA A 94 7.590 -7.320 -9.363 1.00 0.00 H new ATOM 0 HA ALA A 94 10.221 -7.154 -8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.703 -9.103 -6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.663 -7.720 -6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.012 -9.065 -7.153 1.00 0.00 H new ATOM 1538 N ASP A 95 10.039 -9.969 -8.958 1.00 0.00 N ATOM 1539 CA ASP A 95 10.381 -11.021 -9.970 1.00 0.00 C ATOM 1540 C ASP A 95 9.142 -11.374 -10.816 1.00 0.00 C ATOM 1541 O ASP A 95 8.352 -12.231 -10.456 1.00 0.00 O ATOM 1542 CB ASP A 95 10.877 -12.267 -9.231 1.00 0.00 C ATOM 1543 CG ASP A 95 11.561 -13.222 -10.216 1.00 0.00 C ATOM 1544 OD1 ASP A 95 12.760 -13.093 -10.402 1.00 0.00 O ATOM 1545 OD2 ASP A 95 10.873 -14.066 -10.767 1.00 0.00 O ATOM 0 H ASP A 95 10.127 -10.266 -7.986 1.00 0.00 H new ATOM 0 HA ASP A 95 11.157 -10.647 -10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.576 -11.980 -8.445 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.040 -12.770 -8.746 1.00 0.00 H new ATOM 1550 N GLY A 96 8.961 -10.697 -11.930 1.00 0.00 N ATOM 1551 CA GLY A 96 7.772 -10.955 -12.807 1.00 0.00 C ATOM 1552 C GLY A 96 6.532 -10.419 -12.120 1.00 0.00 C ATOM 1553 O GLY A 96 5.426 -10.855 -12.389 1.00 0.00 O ATOM 0 H GLY A 96 9.592 -9.971 -12.270 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.905 -10.472 -13.775 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.667 -12.023 -12.995 1.00 0.00 H new ATOM 1557 N LYS A 97 6.708 -9.471 -11.241 1.00 0.00 N ATOM 1558 CA LYS A 97 5.550 -8.894 -10.541 1.00 0.00 C ATOM 1559 C LYS A 97 5.329 -7.480 -11.049 1.00 0.00 C ATOM 1560 O LYS A 97 5.309 -6.538 -10.298 1.00 0.00 O ATOM 1561 CB LYS A 97 5.803 -8.876 -9.039 1.00 0.00 C ATOM 1562 CG LYS A 97 4.772 -9.756 -8.343 1.00 0.00 C ATOM 1563 CD LYS A 97 5.242 -11.212 -8.354 1.00 0.00 C ATOM 1564 CE LYS A 97 4.096 -12.125 -7.907 1.00 0.00 C ATOM 1565 NZ LYS A 97 4.320 -13.501 -8.433 1.00 0.00 N ATOM 0 H LYS A 97 7.613 -9.076 -10.983 1.00 0.00 H new ATOM 0 HA LYS A 97 4.664 -9.498 -10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.809 -9.236 -8.824 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.742 -7.856 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.626 -9.419 -7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.809 -9.671 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.573 -11.490 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.098 -11.334 -7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.037 -12.146 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.145 -11.736 -8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.541 -14.120 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.355 -13.474 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.220 -13.871 -8.066 1.00 0.00 H new ATOM 1579 N MET A 98 5.081 -7.338 -12.318 1.00 0.00 N ATOM 1580 CA MET A 98 4.781 -6.005 -12.880 1.00 0.00 C ATOM 1581 C MET A 98 3.268 -5.870 -12.817 1.00 0.00 C ATOM 1582 O MET A 98 2.654 -5.181 -13.613 1.00 0.00 O ATOM 1583 CB MET A 98 5.271 -5.930 -14.334 1.00 0.00 C ATOM 1584 CG MET A 98 6.340 -4.843 -14.467 1.00 0.00 C ATOM 1585 SD MET A 98 7.876 -5.401 -13.687 1.00 0.00 S ATOM 1586 CE MET A 98 8.821 -3.876 -13.923 1.00 0.00 C ATOM 0 H MET A 98 5.074 -8.101 -12.995 1.00 0.00 H new ATOM 0 HA MET A 98 5.276 -5.204 -12.331 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.679 -6.893 -14.640 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.434 -5.713 -14.998 1.00 0.00 H new ATOM 0 HG2 MET A 98 6.516 -4.619 -15.519 1.00 0.00 H new ATOM 0 HG3 MET A 98 5.996 -3.921 -13.997 1.00 0.00 H new ATOM 0 HE1 MET A 98 9.706 -4.085 -14.525 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.201 -3.139 -14.434 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.126 -3.483 -12.953 1.00 0.00 H new ATOM 1596 N VAL A 99 2.665 -6.572 -11.867 1.00 0.00 N ATOM 1597 CA VAL A 99 1.209 -6.565 -11.721 1.00 0.00 C ATOM 1598 C VAL A 99 0.595 -7.091 -13.035 1.00 0.00 C ATOM 1599 O VAL A 99 -0.548 -6.828 -13.364 1.00 0.00 O ATOM 1600 CB VAL A 99 0.802 -5.137 -11.349 1.00 0.00 C ATOM 1601 CG1 VAL A 99 0.057 -4.445 -12.492 1.00 0.00 C ATOM 1602 CG2 VAL A 99 -0.083 -5.201 -10.121 1.00 0.00 C ATOM 0 H VAL A 99 3.156 -7.152 -11.187 1.00 0.00 H new ATOM 0 HA VAL A 99 0.840 -7.219 -10.931 1.00 0.00 H new ATOM 0 HB VAL A 99 1.701 -4.554 -11.149 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.215 -3.434 -12.189 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.700 -4.400 -13.371 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.846 -5.007 -12.731 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.385 -4.193 -9.838 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.969 -5.797 -10.341 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.467 -5.659 -9.299 1.00 0.00 H new ATOM 1612 N ASN A 100 1.375 -7.865 -13.780 1.00 0.00 N ATOM 1613 CA ASN A 100 0.877 -8.435 -15.075 1.00 0.00 C ATOM 1614 C ASN A 100 0.019 -9.695 -14.839 1.00 0.00 C ATOM 1615 O ASN A 100 -0.360 -10.367 -15.783 1.00 0.00 O ATOM 1616 CB ASN A 100 2.075 -8.789 -15.973 1.00 0.00 C ATOM 1617 CG ASN A 100 2.958 -9.841 -15.289 1.00 0.00 C ATOM 1618 OD1 ASN A 100 2.588 -10.996 -15.191 1.00 0.00 O ATOM 1619 ND2 ASN A 100 4.122 -9.490 -14.814 1.00 0.00 N ATOM 0 H ASN A 100 2.333 -8.121 -13.539 1.00 0.00 H new ATOM 0 HA ASN A 100 0.253 -7.685 -15.562 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.721 -9.169 -16.931 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.660 -7.893 -16.182 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.719 -10.183 -14.362 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.435 -8.523 -14.895 1.00 0.00 H new ATOM 1626 N GLU A 101 -0.290 -10.024 -13.600 1.00 0.00 N ATOM 1627 CA GLU A 101 -1.120 -11.241 -13.321 1.00 0.00 C ATOM 1628 C GLU A 101 -2.445 -11.158 -14.092 1.00 0.00 C ATOM 1629 O GLU A 101 -2.876 -12.123 -14.697 1.00 0.00 O ATOM 1630 CB GLU A 101 -1.408 -11.338 -11.818 1.00 0.00 C ATOM 1631 CG GLU A 101 -1.158 -12.773 -11.333 1.00 0.00 C ATOM 1632 CD GLU A 101 -1.990 -13.763 -12.161 1.00 0.00 C ATOM 1633 OE1 GLU A 101 -3.202 -13.771 -12.007 1.00 0.00 O ATOM 1634 OE2 GLU A 101 -1.399 -14.498 -12.936 1.00 0.00 O ATOM 0 H GLU A 101 -0.002 -9.501 -12.773 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.571 -12.126 -13.643 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.771 -10.643 -11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.440 -11.051 -11.617 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.099 -13.015 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.420 -12.859 -10.278 1.00 0.00 H new ATOM 1641 N ALA A 102 -3.089 -10.011 -14.077 1.00 0.00 N ATOM 1642 CA ALA A 102 -4.383 -9.858 -14.811 1.00 0.00 C ATOM 1643 C ALA A 102 -4.112 -9.786 -16.319 1.00 0.00 C ATOM 1644 O ALA A 102 -3.389 -8.925 -16.789 1.00 0.00 O ATOM 1645 CB ALA A 102 -5.083 -8.575 -14.353 1.00 0.00 C ATOM 0 H ALA A 102 -2.771 -9.175 -13.586 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.023 -10.714 -14.599 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.026 -8.464 -14.888 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.278 -8.629 -13.282 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.444 -7.717 -14.562 1.00 0.00 H new ATOM 1651 N LEU A 103 -4.688 -10.691 -17.077 1.00 0.00 N ATOM 1652 CA LEU A 103 -4.473 -10.695 -18.559 1.00 0.00 C ATOM 1653 C LEU A 103 -5.831 -10.710 -19.281 1.00 0.00 C ATOM 1654 O LEU A 103 -6.634 -11.586 -18.995 1.00 0.00 O ATOM 1655 CB LEU A 103 -3.661 -11.935 -18.953 1.00 0.00 C ATOM 1656 CG LEU A 103 -3.124 -11.767 -20.379 1.00 0.00 C ATOM 1657 CD1 LEU A 103 -1.653 -12.188 -20.425 1.00 0.00 C ATOM 1658 CD2 LEU A 103 -3.934 -12.643 -21.338 1.00 0.00 C ATOM 1659 OXT LEU A 103 -6.042 -9.843 -20.113 1.00 0.00 O ATOM 0 H LEU A 103 -5.300 -11.430 -16.730 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.926 -9.798 -18.849 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.834 -12.077 -18.257 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.286 -12.826 -18.892 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.213 -10.723 -20.678 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.272 -12.068 -21.439 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.074 -11.564 -19.744 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.564 -13.232 -20.125 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.551 -12.523 -22.352 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.847 -13.687 -21.039 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.982 -12.343 -21.308 1.00 0.00 H new TER 1671 LEU A 103