USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1086 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 81 THR OG1 : rot -77:sc= 0.024 USER MOD Set 1.2: A 135 HIS : no HE2:sc= 0.656 K(o=0.68,f=-4.3!) USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0.526 USER MOD Set 2.2: A 133 SER OG : rot 83:sc= 0.58 USER MOD Single : A 1 HIS : no HD1:sc= -0.627 X(o=-0.63,f=-0.28) USER MOD Single : A 1 HIS N :NH3+ 179:sc= -0.272 (180deg=-0.36) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0.703 (180deg=0.643) USER MOD Single : A 64 GLN : amide:sc= 0.127 X(o=0.13,f=0.0037) USER MOD Single : A 65 GLN : amide:sc=-0.000582 K(o=-0.00058,f=-1.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0.102 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.04) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0.555 K(o=0.55,f=-3.1!) USER MOD Single : A 85 THR OG1 : rot 97:sc= 1.96 USER MOD Single : A 86 TYR OH : rot 29:sc= 1.08 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= 0.569 K(o=0.57,f=-2!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 92 THR OG1 : rot 160:sc= 0.00282 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.27) USER MOD Single : A 96 HIS : no HD1:sc= 0.656 K(o=0.66,f=-3!) USER MOD Single : A 97 TYR OH : rot -179:sc= 0.466 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -149:sc= 0.633 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= 0.666 (180deg=0.64) USER MOD Single : A 123 HIS : no HE2:sc= -0.372 K(o=-0.37,f=-1.2) USER MOD Single : A 126 SER OG : rot -179:sc= 0.492 USER MOD Single : A 129 SER OG : rot 180:sc= 0.15 USER MOD Single : A 131 ASN : amide:sc= 0.253 K(o=0.25,f=-4.8!) USER MOD Single : A 134 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.056) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.014) USER MOD Single : A 157 THR OG1 : rot 102:sc= 1.17 USER MOD Single : A 159 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 162 TYR OH : rot 180:sc= -0.0422 USER MOD Single : A 163 GLN : amide:sc= 0.67 K(o=0.67,f=0) USER MOD Single : A 171 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 0.779 2.216 -1.606 1.00 25.00 N ATOM 2 CA HIS A 1 1.555 3.512 -1.651 1.00 25.00 C ATOM 3 C HIS A 1 1.375 4.207 -2.968 1.00 25.00 C ATOM 4 O HIS A 1 1.159 5.415 -3.083 1.00 25.00 O ATOM 5 CB HIS A 1 3.041 3.224 -1.472 1.00 0.00 C ATOM 6 CG HIS A 1 3.457 2.729 -0.132 1.00 0.00 C ATOM 7 ND1 HIS A 1 3.225 1.438 0.313 1.00 0.00 N ATOM 8 CD2 HIS A 1 4.014 3.419 0.913 1.00 0.00 C ATOM 9 CE1 HIS A 1 3.827 1.388 1.524 1.00 0.00 C ATOM 10 NE2 HIS A 1 4.286 2.575 1.973 1.00 0.00 N ATOM 0 H1 HIS A 1 0.936 1.749 -0.690 1.00 25.00 H new ATOM 0 H2 HIS A 1 -0.235 2.414 -1.724 1.00 25.00 H new ATOM 0 H3 HIS A 1 1.101 1.592 -2.373 1.00 25.00 H new ATOM 0 HA HIS A 1 1.181 4.151 -0.851 1.00 25.00 H new ATOM 0 HB2 HIS A 1 3.339 2.487 -2.217 1.00 0.00 H new ATOM 0 HB3 HIS A 1 3.595 4.137 -1.687 1.00 0.00 H new ATOM 0 HD2 HIS A 1 4.214 4.480 0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 1 3.932 0.472 2.086 1.00 0.00 H new ATOM 0 HE2 HIS A 1 4.723 2.794 2.868 1.00 0.00 H new ATOM 17 N GLY A 2 1.474 3.356 -3.998 1.00 25.00 N ATOM 18 CA GLY A 2 1.175 3.734 -5.361 1.00 25.00 C ATOM 19 C GLY A 2 2.283 4.309 -6.213 1.00 25.00 C ATOM 20 O GLY A 2 3.474 4.017 -6.060 1.00 25.00 O ATOM 0 H GLY A 2 1.766 2.384 -3.895 1.00 25.00 H new ATOM 0 HA2 GLY A 2 0.789 2.852 -5.872 1.00 25.00 H new ATOM 0 HA3 GLY A 2 0.367 4.465 -5.332 1.00 25.00 H new ATOM 24 N PHE A 3 1.894 4.985 -7.276 1.00 25.00 N ATOM 25 CA PHE A 3 2.833 5.413 -8.280 1.00 25.00 C ATOM 26 C PHE A 3 2.188 6.579 -8.943 1.00 25.00 C ATOM 27 O PHE A 3 0.935 6.720 -8.957 1.00 25.00 O ATOM 28 CB PHE A 3 3.104 4.308 -9.300 1.00 25.00 C ATOM 29 CG PHE A 3 1.879 3.924 -10.092 1.00 25.00 C ATOM 30 CD1 PHE A 3 1.640 4.412 -11.390 1.00 50.00 C ATOM 31 CD2 PHE A 3 1.004 2.918 -9.551 1.00 50.00 C ATOM 32 CE1 PHE A 3 0.615 3.821 -12.159 1.00 25.00 C ATOM 33 CE2 PHE A 3 -0.085 2.392 -10.297 1.00 25.00 C ATOM 34 CZ PHE A 3 -0.185 2.793 -11.654 1.00 25.00 C ATOM 0 H PHE A 3 0.926 5.248 -7.462 1.00 25.00 H new ATOM 0 HA PHE A 3 3.797 5.665 -7.839 1.00 25.00 H new ATOM 0 HB2 PHE A 3 3.885 4.637 -9.986 1.00 25.00 H new ATOM 0 HB3 PHE A 3 3.485 3.428 -8.782 1.00 25.00 H new ATOM 0 HD1 PHE A 3 2.230 5.223 -11.790 1.00 50.00 H new ATOM 0 HD2 PHE A 3 1.180 2.553 -8.550 1.00 50.00 H new ATOM 0 HE1 PHE A 3 0.444 4.173 -13.166 1.00 25.00 H new ATOM 0 HE2 PHE A 3 -0.803 1.719 -9.852 1.00 25.00 H new ATOM 0 HZ PHE A 3 -0.889 2.297 -12.306 1.00 25.00 H new ATOM 44 N ILE A 4 2.948 7.456 -9.575 1.00 25.00 N ATOM 45 CA ILE A 4 2.343 8.573 -10.298 1.00 25.00 C ATOM 46 C ILE A 4 1.949 8.051 -11.709 1.00 25.00 C ATOM 47 O ILE A 4 2.865 7.698 -12.447 1.00 25.00 O ATOM 48 CB ILE A 4 3.329 9.804 -10.348 1.00 25.00 C ATOM 49 CG1 ILE A 4 3.943 10.115 -8.997 1.00 25.00 C ATOM 50 CG2 ILE A 4 2.606 11.030 -10.928 1.00 25.00 C ATOM 51 CD1 ILE A 4 3.019 10.478 -7.736 1.00 25.00 C ATOM 0 H ILE A 4 3.967 7.423 -9.606 1.00 25.00 H new ATOM 0 HA ILE A 4 1.449 8.937 -9.792 1.00 25.00 H new ATOM 0 HB ILE A 4 4.158 9.537 -11.003 1.00 25.00 H new ATOM 0 HG12 ILE A 4 4.546 9.252 -8.714 1.00 25.00 H new ATOM 0 HG13 ILE A 4 4.629 10.950 -9.142 1.00 25.00 H new ATOM 0 HG21 ILE A 4 3.293 11.876 -10.960 1.00 25.00 H new ATOM 0 HG22 ILE A 4 2.261 10.805 -11.937 1.00 25.00 H new ATOM 0 HG23 ILE A 4 1.751 11.280 -10.299 1.00 25.00 H new ATOM 0 HD11 ILE A 4 3.648 10.667 -6.866 1.00 25.00 H new ATOM 0 HD12 ILE A 4 2.432 11.369 -7.960 1.00 25.00 H new ATOM 0 HD13 ILE A 4 2.348 9.645 -7.525 1.00 25.00 H new ATOM 63 N GLU A 5 0.696 7.884 -12.091 1.00 25.00 N ATOM 64 CA GLU A 5 0.312 7.596 -13.447 1.00 25.00 C ATOM 65 C GLU A 5 0.213 8.896 -14.249 1.00 25.00 C ATOM 66 O GLU A 5 0.645 8.921 -15.409 1.00 25.00 O ATOM 67 CB GLU A 5 -1.007 6.868 -13.545 1.00 25.00 C ATOM 68 CG GLU A 5 -1.417 6.474 -14.953 1.00 25.00 C ATOM 69 CD GLU A 5 -2.751 5.659 -14.969 1.00 25.00 C ATOM 70 OE1 GLU A 5 -2.730 4.388 -14.801 1.00 25.00 O ATOM 71 OE2 GLU A 5 -3.762 6.191 -15.377 1.00 25.00 O1- ATOM 0 H GLU A 5 -0.094 7.948 -11.449 1.00 25.00 H new ATOM 0 HA GLU A 5 1.084 6.943 -13.854 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -0.955 5.968 -12.932 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -1.786 7.499 -13.119 1.00 25.00 H new ATOM 0 HG2 GLU A 5 -1.533 7.371 -15.561 1.00 25.00 H new ATOM 0 HG3 GLU A 5 -0.624 5.881 -15.409 1.00 25.00 H new ATOM 78 N LYS A 6 -0.294 9.954 -13.645 1.00 25.00 N ATOM 79 CA LYS A 6 -0.300 11.345 -14.254 1.00 25.00 C ATOM 80 C LYS A 6 0.077 12.253 -13.099 1.00 25.00 C ATOM 81 O LYS A 6 -0.384 11.999 -12.001 1.00 25.00 O ATOM 82 CB LYS A 6 -1.621 11.800 -14.897 1.00 25.00 C ATOM 83 CG LYS A 6 -2.015 11.068 -16.088 1.00 25.00 C ATOM 84 CD LYS A 6 -3.277 11.694 -16.794 1.00 25.00 C ATOM 85 CE LYS A 6 -3.609 10.936 -18.060 1.00 25.00 C ATOM 86 NZ LYS A 6 -4.863 11.417 -18.691 1.00 25.00 N1+ ATOM 0 H LYS A 6 -0.721 9.913 -12.720 1.00 25.00 H new ATOM 0 HA LYS A 6 0.388 11.369 -15.099 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -2.416 11.712 -14.156 1.00 25.00 H new ATOM 0 HB3 LYS A 6 -1.538 12.857 -15.151 1.00 25.00 H new ATOM 0 HG2 LYS A 6 -1.182 11.049 -16.791 1.00 25.00 H new ATOM 0 HG3 LYS A 6 -2.229 10.033 -15.820 1.00 25.00 H new ATOM 0 HD2 LYS A 6 -4.129 11.670 -16.115 1.00 25.00 H new ATOM 0 HD3 LYS A 6 -3.087 12.741 -17.030 1.00 25.00 H new ATOM 0 HE2 LYS A 6 -2.786 11.037 -18.768 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -3.704 9.875 -17.831 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 -5.050 10.868 -19.555 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 -5.654 11.297 -18.027 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 -4.765 12.423 -18.934 1.00 25.00 H new ATOM 100 N PRO A 7 0.758 13.394 -13.359 1.00 25.00 N ATOM 101 CA PRO A 7 1.381 13.841 -14.603 1.00 25.00 C ATOM 102 C PRO A 7 2.664 13.052 -14.959 1.00 25.00 C ATOM 103 O PRO A 7 3.324 12.524 -14.035 1.00 25.00 O ATOM 104 CB PRO A 7 1.584 15.332 -14.391 1.00 25.00 C ATOM 105 CG PRO A 7 1.707 15.507 -12.965 1.00 25.00 C ATOM 106 CD PRO A 7 1.074 14.336 -12.263 1.00 25.00 C ATOM 0 HA PRO A 7 0.763 13.650 -15.480 1.00 25.00 H new ATOM 0 HB2 PRO A 7 2.477 15.683 -14.908 1.00 25.00 H new ATOM 0 HB3 PRO A 7 0.743 15.902 -14.785 1.00 25.00 H new ATOM 0 HG2 PRO A 7 2.758 15.588 -12.686 1.00 25.00 H new ATOM 0 HG3 PRO A 7 1.223 16.434 -12.658 1.00 25.00 H new ATOM 0 HD2 PRO A 7 1.754 13.890 -11.537 1.00 25.00 H new ATOM 0 HD3 PRO A 7 0.177 14.633 -11.720 1.00 25.00 H new ATOM 114 N GLY A 8 3.081 13.082 -16.175 1.00 25.00 N ATOM 115 CA GLY A 8 4.467 12.840 -16.523 1.00 25.00 C ATOM 116 C GLY A 8 4.925 11.393 -16.656 1.00 25.00 C ATOM 117 O GLY A 8 4.092 10.491 -16.627 1.00 25.00 O ATOM 0 H GLY A 8 2.478 13.275 -16.975 1.00 25.00 H new ATOM 0 HA2 GLY A 8 4.667 13.343 -17.469 1.00 25.00 H new ATOM 0 HA3 GLY A 8 5.090 13.320 -15.769 1.00 25.00 H new ATOM 121 N SER A 9 6.223 11.228 -16.833 1.00 25.00 N ATOM 122 CA SER A 9 6.804 9.863 -16.954 1.00 25.00 C ATOM 123 C SER A 9 8.253 10.058 -16.465 1.00 25.00 C ATOM 124 O SER A 9 9.205 10.072 -17.232 1.00 25.00 O ATOM 125 CB SER A 9 6.706 9.338 -18.376 1.00 25.00 C ATOM 126 OG SER A 9 7.157 7.970 -18.363 1.00 25.00 O ATOM 0 H SER A 9 6.898 11.990 -16.898 1.00 25.00 H new ATOM 0 HA SER A 9 6.278 9.107 -16.371 1.00 25.00 H new ATOM 0 HB2 SER A 9 5.680 9.400 -18.738 1.00 25.00 H new ATOM 0 HB3 SER A 9 7.319 9.938 -19.049 1.00 25.00 H new ATOM 0 HG SER A 9 7.105 7.600 -19.269 1.00 25.00 H new ATOM 132 N ARG A 10 8.401 10.171 -15.182 1.00 25.00 N ATOM 133 CA ARG A 10 9.712 10.402 -14.566 1.00 25.00 C ATOM 134 C ARG A 10 10.565 9.134 -14.691 1.00 25.00 C ATOM 135 O ARG A 10 11.743 9.164 -14.426 1.00 25.00 O ATOM 136 CB ARG A 10 9.557 10.742 -13.056 1.00 25.00 C ATOM 137 CG ARG A 10 8.959 9.674 -12.203 1.00 25.00 C ATOM 138 CD ARG A 10 8.986 10.099 -10.746 1.00 25.00 C ATOM 139 NE ARG A 10 10.312 9.872 -10.125 1.00 25.00 N ATOM 140 CZ ARG A 10 10.555 9.895 -8.809 1.00 25.00 C ATOM 141 NH1 ARG A 10 11.636 9.409 -8.319 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 9.712 10.404 -7.960 1.00 25.00 N ATOM 0 H ARG A 10 7.631 10.109 -14.516 1.00 25.00 H new ATOM 0 HA ARG A 10 10.189 11.238 -15.078 1.00 25.00 H new ATOM 0 HB2 ARG A 10 10.541 10.990 -12.657 1.00 25.00 H new ATOM 0 HB3 ARG A 10 8.942 11.637 -12.967 1.00 25.00 H new ATOM 0 HG2 ARG A 10 7.933 9.480 -12.515 1.00 25.00 H new ATOM 0 HG3 ARG A 10 9.512 8.743 -12.329 1.00 25.00 H new ATOM 0 HD2 ARG A 10 8.727 11.155 -10.672 1.00 25.00 H new ATOM 0 HD3 ARG A 10 8.227 9.545 -10.193 1.00 25.00 H new ATOM 0 HE ARG A 10 11.098 9.684 -10.747 1.00 25.00 H new ATOM 0 HH11 ARG A 10 12.334 8.993 -8.936 1.00 25.00 H new ATOM 0 HH12 ARG A 10 11.798 9.439 -7.312 1.00 25.00 H new ATOM 0 HH21 ARG A 10 8.833 10.802 -8.291 1.00 25.00 H new ATOM 0 HH22 ARG A 10 9.930 10.405 -6.963 1.00 25.00 H new ATOM 156 N ALA A 11 9.981 8.059 -15.144 1.00 25.00 N ATOM 157 CA ALA A 11 10.717 6.908 -15.675 1.00 25.00 C ATOM 158 C ALA A 11 11.748 7.271 -16.706 1.00 25.00 C ATOM 159 O ALA A 11 12.892 6.755 -16.697 1.00 25.00 O ATOM 160 CB ALA A 11 9.710 5.885 -16.204 1.00 25.00 C ATOM 0 H ALA A 11 8.968 7.941 -15.162 1.00 25.00 H new ATOM 0 HA ALA A 11 11.294 6.472 -14.860 1.00 25.00 H new ATOM 0 HB1 ALA A 11 10.243 5.022 -16.603 1.00 25.00 H new ATOM 0 HB2 ALA A 11 9.057 5.565 -15.393 1.00 25.00 H new ATOM 0 HB3 ALA A 11 9.112 6.339 -16.994 1.00 25.00 H new ATOM 166 N ALA A 12 11.421 8.191 -17.587 1.00 25.00 N ATOM 167 CA ALA A 12 12.377 8.674 -18.568 1.00 25.00 C ATOM 168 C ALA A 12 13.606 9.471 -17.949 1.00 25.00 C ATOM 169 O ALA A 12 14.678 9.481 -18.467 1.00 25.00 O ATOM 170 CB ALA A 12 11.697 9.630 -19.539 1.00 25.00 C ATOM 0 H ALA A 12 10.499 8.623 -17.647 1.00 25.00 H new ATOM 0 HA ALA A 12 12.753 7.772 -19.052 1.00 25.00 H new ATOM 0 HB1 ALA A 12 12.424 9.985 -20.269 1.00 25.00 H new ATOM 0 HB2 ALA A 12 10.889 9.111 -20.054 1.00 25.00 H new ATOM 0 HB3 ALA A 12 11.291 10.479 -18.989 1.00 25.00 H new ATOM 176 N LEU A 13 13.394 10.064 -16.797 1.00 25.00 N ATOM 177 CA LEU A 13 14.420 10.762 -16.027 1.00 25.00 C ATOM 178 C LEU A 13 15.238 9.845 -15.120 1.00 25.00 C ATOM 179 O LEU A 13 16.269 10.196 -14.593 1.00 25.00 O ATOM 180 CB LEU A 13 13.745 11.865 -15.191 1.00 25.00 C ATOM 181 CG LEU A 13 12.932 12.949 -15.836 1.00 25.00 C ATOM 182 CD1 LEU A 13 12.084 13.625 -14.801 1.00 75.00 C ATOM 183 CD2 LEU A 13 13.867 13.953 -16.505 1.00 75.00 C ATOM 0 H LEU A 13 12.478 10.079 -16.349 1.00 25.00 H new ATOM 0 HA LEU A 13 15.128 11.185 -16.740 1.00 25.00 H new ATOM 0 HB2 LEU A 13 13.095 11.365 -14.473 1.00 25.00 H new ATOM 0 HB3 LEU A 13 14.532 12.357 -14.620 1.00 25.00 H new ATOM 0 HG LEU A 13 12.277 12.519 -16.594 1.00 25.00 H new ATOM 0 HD11 LEU A 13 11.494 14.412 -15.271 1.00 75.00 H new ATOM 0 HD12 LEU A 13 11.416 12.895 -14.344 1.00 75.00 H new ATOM 0 HD13 LEU A 13 12.724 14.061 -14.034 1.00 75.00 H new ATOM 0 HD21 LEU A 13 13.279 14.741 -16.974 1.00 75.00 H new ATOM 0 HD22 LEU A 13 14.528 14.390 -15.756 1.00 75.00 H new ATOM 0 HD23 LEU A 13 14.464 13.445 -17.263 1.00 75.00 H new ATOM 398 N MET A 29 15.096 5.211 -5.651 1.00 25.00 N ATOM 399 CA MET A 29 14.271 4.276 -6.454 1.00 25.00 C ATOM 400 C MET A 29 13.999 2.874 -5.975 1.00 25.00 C ATOM 401 O MET A 29 13.175 2.148 -6.470 1.00 25.00 O ATOM 402 CB MET A 29 14.852 4.214 -7.905 1.00 25.00 C ATOM 403 CG MET A 29 16.327 3.620 -7.994 1.00 25.00 C ATOM 404 SD MET A 29 16.354 1.876 -8.198 1.00 25.00 S ATOM 405 CE MET A 29 18.098 1.580 -8.548 1.00 25.00 C ATOM 0 HA MET A 29 13.282 4.726 -6.364 1.00 25.00 H new ATOM 0 HB2 MET A 29 14.190 3.607 -8.523 1.00 25.00 H new ATOM 0 HB3 MET A 29 14.851 5.219 -8.328 1.00 25.00 H new ATOM 0 HG2 MET A 29 16.850 4.086 -8.829 1.00 25.00 H new ATOM 0 HG3 MET A 29 16.874 3.883 -7.088 1.00 25.00 H new ATOM 0 HE1 MET A 29 18.263 0.513 -8.700 1.00 25.00 H new ATOM 0 HE2 MET A 29 18.386 2.123 -9.448 1.00 25.00 H new ATOM 0 HE3 MET A 29 18.701 1.924 -7.708 1.00 25.00 H new ATOM 415 N TYR A 30 14.797 2.449 -4.988 1.00 25.00 N ATOM 416 CA TYR A 30 14.513 1.193 -4.263 1.00 25.00 C ATOM 417 C TYR A 30 13.173 1.299 -3.603 1.00 25.00 C ATOM 418 O TYR A 30 12.440 0.291 -3.407 1.00 25.00 O ATOM 419 CB TYR A 30 15.640 1.057 -3.170 1.00 25.00 C ATOM 420 CG TYR A 30 15.376 -0.121 -2.242 1.00 25.00 C ATOM 421 CD1 TYR A 30 15.420 -1.427 -2.747 1.00 50.00 C ATOM 422 CD2 TYR A 30 15.150 0.071 -0.870 1.00 50.00 C ATOM 423 CE1 TYR A 30 15.182 -2.581 -1.934 1.00 25.00 C ATOM 424 CE2 TYR A 30 14.792 -1.014 -0.090 1.00 25.00 C ATOM 425 CZ TYR A 30 14.829 -2.304 -0.567 1.00 25.00 C ATOM 426 OH TYR A 30 14.666 -3.308 0.312 1.00 25.00 O ATOM 0 H TYR A 30 15.632 2.943 -4.673 1.00 25.00 H new ATOM 0 HA TYR A 30 14.500 0.330 -4.929 1.00 25.00 H new ATOM 0 HB2 TYR A 30 16.607 0.929 -3.657 1.00 25.00 H new ATOM 0 HB3 TYR A 30 15.696 1.976 -2.587 1.00 25.00 H new ATOM 0 HD1 TYR A 30 15.643 -1.569 -3.794 1.00 50.00 H new ATOM 0 HD2 TYR A 30 15.254 1.052 -0.430 1.00 50.00 H new ATOM 0 HE1 TYR A 30 15.262 -3.587 -2.319 1.00 25.00 H new ATOM 0 HE2 TYR A 30 14.473 -0.843 0.927 1.00 25.00 H new ATOM 0 HH TYR A 30 14.430 -2.940 1.189 1.00 25.00 H new ATOM 436 N GLU A 31 12.878 2.517 -3.177 1.00 25.00 N ATOM 437 CA GLU A 31 11.652 2.751 -2.386 1.00 25.00 C ATOM 438 C GLU A 31 10.910 4.132 -2.554 1.00 25.00 C ATOM 439 O GLU A 31 10.584 4.806 -1.498 1.00 25.00 O ATOM 440 CB GLU A 31 11.922 2.452 -0.916 1.00 25.00 C ATOM 441 CG GLU A 31 13.052 3.225 -0.326 1.00 25.00 C ATOM 442 CD GLU A 31 13.082 2.910 1.168 1.00 25.00 C ATOM 443 OE1 GLU A 31 12.282 3.396 1.956 1.00 25.00 O ATOM 444 OE2 GLU A 31 14.021 2.265 1.623 1.00 25.00 O1- ATOM 0 H GLU A 31 13.445 3.347 -3.352 1.00 25.00 H new ATOM 0 HA GLU A 31 10.934 2.053 -2.818 1.00 25.00 H new ATOM 0 HB2 GLU A 31 11.018 2.660 -0.344 1.00 25.00 H new ATOM 0 HB3 GLU A 31 12.130 1.388 -0.807 1.00 25.00 H new ATOM 0 HG2 GLU A 31 13.995 2.948 -0.797 1.00 25.00 H new ATOM 0 HG3 GLU A 31 12.915 4.294 -0.491 1.00 25.00 H new ATOM 451 N PRO A 32 10.669 4.626 -3.787 1.00 25.00 N ATOM 452 CA PRO A 32 10.415 6.031 -3.997 1.00 25.00 C ATOM 453 C PRO A 32 9.110 6.452 -3.423 1.00 25.00 C ATOM 454 O PRO A 32 8.845 7.635 -3.425 1.00 25.00 O ATOM 455 CB PRO A 32 10.531 6.177 -5.521 1.00 25.00 C ATOM 456 CG PRO A 32 10.051 4.832 -5.997 1.00 25.00 C ATOM 457 CD PRO A 32 10.648 3.869 -5.039 1.00 25.00 C ATOM 0 HA PRO A 32 11.112 6.694 -3.484 1.00 25.00 H new ATOM 0 HB2 PRO A 32 9.913 6.990 -5.902 1.00 25.00 H new ATOM 0 HB3 PRO A 32 11.555 6.381 -5.835 1.00 25.00 H new ATOM 0 HG2 PRO A 32 8.963 4.774 -5.993 1.00 25.00 H new ATOM 0 HG3 PRO A 32 10.377 4.632 -7.018 1.00 25.00 H new ATOM 0 HD2 PRO A 32 10.050 2.962 -4.953 1.00 25.00 H new ATOM 0 HD3 PRO A 32 11.649 3.564 -5.344 1.00 25.00 H new ATOM 465 N GLN A 33 8.240 5.496 -3.010 1.00 25.00 N ATOM 466 CA GLN A 33 6.928 5.803 -2.480 1.00 25.00 C ATOM 467 C GLN A 33 6.769 5.357 -1.008 1.00 25.00 C ATOM 468 O GLN A 33 5.698 5.526 -0.416 1.00 25.00 O ATOM 469 CB GLN A 33 5.883 5.132 -3.360 1.00 25.00 C ATOM 470 CG GLN A 33 4.687 6.005 -3.807 1.00 25.00 C ATOM 471 CD GLN A 33 4.882 6.962 -4.974 1.00 25.00 C ATOM 472 OE1 GLN A 33 5.774 6.887 -5.819 1.00 25.00 O ATOM 473 NE2 GLN A 33 3.901 7.831 -5.160 1.00 25.00 N ATOM 0 H GLN A 33 8.447 4.498 -3.043 1.00 25.00 H new ATOM 0 HA GLN A 33 6.794 6.885 -2.489 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.382 4.755 -4.253 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.492 4.267 -2.824 1.00 25.00 H new ATOM 0 HG2 GLN A 33 3.865 5.336 -4.061 1.00 25.00 H new ATOM 0 HG3 GLN A 33 4.366 6.592 -2.947 1.00 25.00 H new ATOM 0 HE21 GLN A 33 3.152 7.909 -4.472 1.00 25.00 H new ATOM 0 HE22 GLN A 33 3.894 8.422 -5.991 1.00 25.00 H new ATOM 482 N SER A 34 7.806 4.880 -0.305 1.00 25.00 N ATOM 483 CA SER A 34 7.646 4.267 1.036 1.00 25.00 C ATOM 484 C SER A 34 7.757 5.310 2.171 1.00 25.00 C ATOM 485 O SER A 34 8.567 5.178 3.071 1.00 25.00 O ATOM 486 CB SER A 34 8.719 3.192 1.230 1.00 25.00 C ATOM 487 OG SER A 34 8.255 2.324 2.282 1.00 25.00 O ATOM 0 H SER A 34 8.770 4.904 -0.638 1.00 25.00 H new ATOM 0 HA SER A 34 6.649 3.830 1.085 1.00 25.00 H new ATOM 0 HB2 SER A 34 8.876 2.632 0.308 1.00 25.00 H new ATOM 0 HB3 SER A 34 9.675 3.644 1.495 1.00 25.00 H new ATOM 0 HG SER A 34 8.915 1.617 2.438 1.00 25.00 H new ATOM 493 N LEU A 35 6.932 6.321 2.089 1.00 25.00 N ATOM 494 CA LEU A 35 6.792 7.332 3.167 1.00 25.00 C ATOM 495 C LEU A 35 5.532 7.145 3.995 1.00 25.00 C ATOM 496 O LEU A 35 4.484 7.616 3.564 1.00 25.00 O ATOM 497 CB LEU A 35 6.806 8.735 2.608 1.00 25.00 C ATOM 498 CG LEU A 35 8.182 9.233 2.062 1.00 25.00 C ATOM 499 CD1 LEU A 35 8.150 10.574 1.424 1.00 50.00 C ATOM 500 CD2 LEU A 35 9.310 9.141 3.133 1.00 50.00 C ATOM 0 H LEU A 35 6.328 6.489 1.284 1.00 25.00 H new ATOM 0 HA LEU A 35 7.652 7.184 3.820 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.074 8.793 1.802 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.476 9.421 3.388 1.00 25.00 H new ATOM 0 HG LEU A 35 8.419 8.537 1.257 1.00 25.00 H new ATOM 0 HD11 LEU A 35 9.149 10.835 1.076 1.00 50.00 H new ATOM 0 HD12 LEU A 35 7.463 10.558 0.578 1.00 50.00 H new ATOM 0 HD13 LEU A 35 7.814 11.314 2.150 1.00 50.00 H new ATOM 0 HD21 LEU A 35 10.247 9.498 2.706 1.00 50.00 H new ATOM 0 HD22 LEU A 35 9.046 9.756 3.994 1.00 50.00 H new ATOM 0 HD23 LEU A 35 9.427 8.105 3.450 1.00 50.00 H new ATOM 512 N GLU A 36 5.564 6.480 5.141 1.00 25.00 N ATOM 513 CA GLU A 36 4.449 6.537 6.106 1.00 25.00 C ATOM 514 C GLU A 36 5.100 7.005 7.375 1.00 25.00 C ATOM 515 O GLU A 36 6.292 6.865 7.614 1.00 25.00 O ATOM 516 CB GLU A 36 3.809 5.196 6.283 1.00 25.00 C ATOM 517 CG GLU A 36 3.178 4.585 5.092 1.00 25.00 C ATOM 518 CD GLU A 36 2.755 3.102 5.320 1.00 25.00 C ATOM 519 OE1 GLU A 36 1.579 2.876 5.540 1.00 25.00 O ATOM 520 OE2 GLU A 36 3.562 2.133 5.245 1.00 25.00 O1- ATOM 0 H GLU A 36 6.344 5.892 5.435 1.00 25.00 H new ATOM 0 HA GLU A 36 3.644 7.195 5.779 1.00 25.00 H new ATOM 0 HB2 GLU A 36 4.567 4.506 6.655 1.00 25.00 H new ATOM 0 HB3 GLU A 36 3.050 5.284 7.060 1.00 25.00 H new ATOM 0 HG2 GLU A 36 2.301 5.168 4.813 1.00 25.00 H new ATOM 0 HG3 GLU A 36 3.873 4.634 4.254 1.00 25.00 H new ATOM 527 N ALA A 37 4.235 7.574 8.219 1.00 25.00 N ATOM 528 CA ALA A 37 4.553 8.079 9.588 1.00 25.00 C ATOM 529 C ALA A 37 3.382 7.843 10.518 1.00 25.00 C ATOM 530 O ALA A 37 2.294 7.574 9.998 1.00 25.00 O ATOM 531 CB ALA A 37 4.831 9.557 9.459 1.00 25.00 C ATOM 0 H ALA A 37 3.254 7.708 7.973 1.00 25.00 H new ATOM 0 HA ALA A 37 5.415 7.558 10.005 1.00 25.00 H new ATOM 0 HB1 ALA A 37 5.069 9.969 10.440 1.00 25.00 H new ATOM 0 HB2 ALA A 37 5.674 9.711 8.786 1.00 25.00 H new ATOM 0 HB3 ALA A 37 3.951 10.059 9.058 1.00 25.00 H new ATOM 537 N LYS A 38 3.540 7.712 11.823 1.00 25.00 N ATOM 538 CA LYS A 38 2.428 7.370 12.659 1.00 25.00 C ATOM 539 C LYS A 38 1.478 8.554 12.714 1.00 25.00 C ATOM 540 O LYS A 38 1.879 9.683 12.606 1.00 25.00 O ATOM 541 CB LYS A 38 2.906 7.066 14.094 1.00 25.00 C ATOM 542 CG LYS A 38 1.984 6.257 14.885 1.00 25.00 C ATOM 543 CD LYS A 38 2.551 5.947 16.240 1.00 25.00 C ATOM 544 CE LYS A 38 1.547 5.257 17.031 1.00 25.00 C ATOM 545 NZ LYS A 38 2.264 5.026 18.310 1.00 25.00 N1+ ATOM 0 H LYS A 38 4.425 7.838 12.314 1.00 25.00 H new ATOM 0 HA LYS A 38 1.934 6.489 12.248 1.00 25.00 H new ATOM 0 HB2 LYS A 38 3.866 6.552 14.042 1.00 25.00 H new ATOM 0 HB3 LYS A 38 3.077 8.009 14.613 1.00 25.00 H new ATOM 0 HG2 LYS A 38 1.038 6.786 14.997 1.00 25.00 H new ATOM 0 HG3 LYS A 38 1.769 5.328 14.358 1.00 25.00 H new ATOM 0 HD2 LYS A 38 3.442 5.328 16.141 1.00 25.00 H new ATOM 0 HD3 LYS A 38 2.856 6.867 16.739 1.00 25.00 H new ATOM 0 HE2 LYS A 38 0.651 5.862 17.170 1.00 25.00 H new ATOM 0 HE3 LYS A 38 1.232 4.323 16.566 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 1.637 4.528 18.974 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 3.111 4.448 18.134 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 2.547 5.939 18.719 1.00 25.00 H new ATOM 559 N LYS A 39 0.196 8.264 12.885 1.00 25.00 N ATOM 560 CA LYS A 39 -0.822 9.251 13.141 1.00 25.00 C ATOM 561 C LYS A 39 -0.546 10.018 14.414 1.00 25.00 C ATOM 562 O LYS A 39 0.090 9.496 15.334 1.00 25.00 O ATOM 563 CB LYS A 39 -2.157 8.535 13.265 1.00 25.00 C ATOM 564 CG LYS A 39 -2.669 8.000 11.947 1.00 25.00 C ATOM 565 CD LYS A 39 -3.842 7.091 12.113 1.00 25.00 C ATOM 566 CE LYS A 39 -4.158 6.400 10.848 1.00 25.00 C ATOM 567 NZ LYS A 39 -5.449 5.673 10.945 1.00 25.00 N1+ ATOM 0 H LYS A 39 -0.165 7.311 12.847 1.00 25.00 H new ATOM 0 HA LYS A 39 -0.834 9.966 12.318 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -2.056 7.710 13.970 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -2.893 9.222 13.682 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -2.949 8.835 11.304 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -1.867 7.463 11.441 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -3.630 6.356 12.890 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -4.707 7.665 12.444 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -4.205 7.125 10.036 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -3.360 5.699 10.603 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -5.706 5.295 10.011 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -5.356 4.889 11.622 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -6.191 6.325 11.271 1.00 25.00 H new ATOM 781 N LEU A 57 10.237 20.014 10.218 1.00 25.00 N ATOM 782 CA LEU A 57 11.447 20.735 10.611 1.00 25.00 C ATOM 783 C LEU A 57 12.057 21.190 9.316 1.00 25.00 C ATOM 784 O LEU A 57 12.661 20.463 8.467 1.00 25.00 O ATOM 785 CB LEU A 57 12.498 19.840 11.311 1.00 25.00 C ATOM 786 CG LEU A 57 12.049 18.870 12.417 1.00 25.00 C ATOM 787 CD1 LEU A 57 13.172 17.918 12.832 1.00 50.00 C ATOM 788 CD2 LEU A 57 11.403 19.574 13.572 1.00 50.00 C ATOM 0 HA LEU A 57 11.181 21.527 11.311 1.00 25.00 H new ATOM 0 HB2 LEU A 57 12.991 19.250 10.539 1.00 25.00 H new ATOM 0 HB3 LEU A 57 13.254 20.498 11.740 1.00 25.00 H new ATOM 0 HG LEU A 57 11.266 18.241 11.992 1.00 25.00 H new ATOM 0 HD11 LEU A 57 12.812 17.250 13.615 1.00 50.00 H new ATOM 0 HD12 LEU A 57 13.487 17.330 11.970 1.00 50.00 H new ATOM 0 HD13 LEU A 57 14.018 18.494 13.207 1.00 50.00 H new ATOM 0 HD21 LEU A 57 11.105 18.843 14.323 1.00 50.00 H new ATOM 0 HD22 LEU A 57 12.110 20.278 14.011 1.00 50.00 H new ATOM 0 HD23 LEU A 57 10.523 20.114 13.223 1.00 50.00 H new ATOM 800 N PHE A 58 11.834 22.473 8.954 1.00 25.00 N ATOM 801 CA PHE A 58 12.275 23.008 7.665 1.00 25.00 C ATOM 802 C PHE A 58 13.736 23.236 7.576 1.00 25.00 C ATOM 803 O PHE A 58 14.289 23.272 6.484 1.00 25.00 O ATOM 804 CB PHE A 58 11.569 24.272 7.379 1.00 25.00 C ATOM 805 CG PHE A 58 10.238 24.112 6.560 1.00 25.00 C ATOM 806 CD1 PHE A 58 10.124 24.388 5.211 1.00 50.00 C ATOM 807 CD2 PHE A 58 9.165 23.567 7.279 1.00 50.00 C ATOM 808 CE1 PHE A 58 8.849 24.247 4.553 1.00 25.00 C ATOM 809 CE2 PHE A 58 7.948 23.295 6.641 1.00 25.00 C ATOM 810 CZ PHE A 58 7.771 23.652 5.265 1.00 25.00 C ATOM 0 H PHE A 58 11.350 23.151 9.543 1.00 25.00 H new ATOM 0 HA PHE A 58 12.031 22.246 6.925 1.00 25.00 H new ATOM 0 HB2 PHE A 58 11.341 24.766 8.323 1.00 25.00 H new ATOM 0 HB3 PHE A 58 12.241 24.931 6.829 1.00 25.00 H new ATOM 0 HD1 PHE A 58 10.989 24.709 4.650 1.00 50.00 H new ATOM 0 HD2 PHE A 58 9.277 23.355 8.332 1.00 50.00 H new ATOM 0 HE1 PHE A 58 8.715 24.587 3.537 1.00 25.00 H new ATOM 0 HE2 PHE A 58 7.146 22.818 7.185 1.00 25.00 H new ATOM 0 HZ PHE A 58 6.827 23.471 4.772 1.00 25.00 H new ATOM 820 N GLY A 59 14.366 23.427 8.746 1.00 25.00 N ATOM 821 CA GLY A 59 15.824 23.388 8.798 1.00 25.00 C ATOM 822 C GLY A 59 16.291 22.013 8.264 1.00 25.00 C ATOM 823 O GLY A 59 17.287 21.841 7.596 1.00 25.00 O ATOM 0 H GLY A 59 13.902 23.604 9.637 1.00 25.00 H new ATOM 0 HA2 GLY A 59 16.247 24.193 8.197 1.00 25.00 H new ATOM 0 HA3 GLY A 59 16.172 23.537 9.820 1.00 25.00 H new ATOM 827 N GLY A 60 15.506 20.960 8.592 1.00 25.00 N ATOM 828 CA GLY A 60 15.818 19.587 8.133 1.00 25.00 C ATOM 829 C GLY A 60 15.642 19.383 6.613 1.00 25.00 C ATOM 830 O GLY A 60 16.443 18.728 5.915 1.00 25.00 O ATOM 0 H GLY A 60 14.665 21.033 9.164 1.00 25.00 H new ATOM 0 HA2 GLY A 60 16.846 19.348 8.406 1.00 25.00 H new ATOM 0 HA3 GLY A 60 15.176 18.883 8.661 1.00 25.00 H new ATOM 834 N ILE A 61 14.719 20.086 5.986 1.00 25.00 N ATOM 835 CA ILE A 61 14.628 20.189 4.547 1.00 25.00 C ATOM 836 C ILE A 61 15.823 20.953 3.992 1.00 25.00 C ATOM 837 O ILE A 61 16.361 20.420 3.035 1.00 25.00 O ATOM 838 CB ILE A 61 13.328 20.883 4.214 1.00 25.00 C ATOM 839 CG1 ILE A 61 12.080 20.085 4.562 1.00 25.00 C ATOM 840 CG2 ILE A 61 13.204 21.115 2.671 1.00 25.00 C ATOM 841 CD1 ILE A 61 10.849 20.910 4.575 1.00 25.00 C ATOM 0 H ILE A 61 13.996 20.613 6.476 1.00 25.00 H new ATOM 0 HA ILE A 61 14.642 19.199 4.090 1.00 25.00 H new ATOM 0 HB ILE A 61 13.371 21.799 4.803 1.00 25.00 H new ATOM 0 HG12 ILE A 61 11.961 19.276 3.842 1.00 25.00 H new ATOM 0 HG13 ILE A 61 12.212 19.624 5.541 1.00 25.00 H new ATOM 0 HG21 ILE A 61 12.261 21.616 2.453 1.00 25.00 H new ATOM 0 HG22 ILE A 61 14.032 21.736 2.329 1.00 25.00 H new ATOM 0 HG23 ILE A 61 13.233 20.155 2.155 1.00 25.00 H new ATOM 0 HD11 ILE A 61 9.994 20.284 4.830 1.00 25.00 H new ATOM 0 HD12 ILE A 61 10.951 21.704 5.315 1.00 25.00 H new ATOM 0 HD13 ILE A 61 10.696 21.350 3.590 1.00 25.00 H new ATOM 853 N LEU A 62 16.186 22.116 4.485 1.00 25.00 N ATOM 854 CA LEU A 62 17.259 22.905 3.923 1.00 25.00 C ATOM 855 C LEU A 62 18.545 22.148 4.153 1.00 25.00 C ATOM 856 O LEU A 62 19.547 22.320 3.313 1.00 25.00 O ATOM 857 CB LEU A 62 17.271 24.149 4.719 1.00 25.00 C ATOM 858 CG LEU A 62 16.124 25.182 4.559 1.00 25.00 C ATOM 859 CD1 LEU A 62 16.196 26.177 5.766 1.00 75.00 C ATOM 860 CD2 LEU A 62 16.217 25.959 3.218 1.00 75.00 C ATOM 0 H LEU A 62 15.740 22.545 5.296 1.00 25.00 H new ATOM 0 HA LEU A 62 17.143 23.107 2.858 1.00 25.00 H new ATOM 0 HB2 LEU A 62 17.304 23.861 5.770 1.00 25.00 H new ATOM 0 HB3 LEU A 62 18.206 24.665 4.500 1.00 25.00 H new ATOM 0 HG LEU A 62 15.172 24.652 4.547 1.00 25.00 H new ATOM 0 HD11 LEU A 62 15.399 26.915 5.677 1.00 75.00 H new ATOM 0 HD12 LEU A 62 16.078 25.626 6.699 1.00 75.00 H new ATOM 0 HD13 LEU A 62 17.161 26.684 5.763 1.00 75.00 H new ATOM 0 HD21 LEU A 62 15.393 26.670 3.152 1.00 75.00 H new ATOM 0 HD22 LEU A 62 17.164 26.496 3.174 1.00 75.00 H new ATOM 0 HD23 LEU A 62 16.159 25.257 2.386 1.00 75.00 H new ATOM 872 N ASP A 63 18.612 21.311 5.196 1.00 25.00 N ATOM 873 CA ASP A 63 19.859 20.520 5.442 1.00 25.00 C ATOM 874 C ASP A 63 20.035 19.465 4.353 1.00 25.00 C ATOM 875 O ASP A 63 21.192 19.096 3.983 1.00 25.00 O ATOM 876 CB ASP A 63 19.831 19.875 6.816 1.00 25.00 C ATOM 877 CG ASP A 63 21.143 19.229 7.169 1.00 25.00 C ATOM 878 OD1 ASP A 63 22.208 19.924 7.315 1.00 50.00 O ATOM 879 OD2 ASP A 63 21.151 18.043 7.444 1.00 50.00 O1- ATOM 0 H ASP A 63 17.860 21.156 5.867 1.00 25.00 H new ATOM 0 HA ASP A 63 20.710 21.200 5.410 1.00 25.00 H new ATOM 0 HB2 ASP A 63 19.587 20.629 7.564 1.00 25.00 H new ATOM 0 HB3 ASP A 63 19.039 19.126 6.848 1.00 25.00 H new ATOM 884 N GLN A 64 18.924 18.964 3.770 1.00 25.00 N ATOM 885 CA GLN A 64 18.969 18.006 2.682 1.00 25.00 C ATOM 886 C GLN A 64 19.265 18.729 1.389 1.00 25.00 C ATOM 887 O GLN A 64 18.517 18.675 0.376 1.00 25.00 O ATOM 888 CB GLN A 64 17.620 17.307 2.582 1.00 25.00 C ATOM 889 CG GLN A 64 17.280 16.431 3.721 1.00 25.00 C ATOM 890 CD GLN A 64 15.915 16.006 3.642 1.00 25.00 C ATOM 891 OE1 GLN A 64 15.462 15.385 2.671 1.00 25.00 O ATOM 892 NE2 GLN A 64 15.248 16.207 4.762 1.00 25.00 N ATOM 0 H GLN A 64 17.978 19.223 4.052 1.00 25.00 H new ATOM 0 HA GLN A 64 19.750 17.269 2.868 1.00 25.00 H new ATOM 0 HB2 GLN A 64 16.843 18.065 2.482 1.00 25.00 H new ATOM 0 HB3 GLN A 64 17.604 16.712 1.669 1.00 25.00 H new ATOM 0 HG2 GLN A 64 17.937 15.561 3.726 1.00 25.00 H new ATOM 0 HG3 GLN A 64 17.447 16.963 4.658 1.00 25.00 H new ATOM 0 HE21 GLN A 64 15.679 16.728 5.526 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.301 15.842 4.864 1.00 25.00 H new ATOM 901 N GLN A 65 20.363 19.453 1.325 1.00 25.00 N ATOM 902 CA GLN A 65 20.930 19.991 0.115 1.00 25.00 C ATOM 903 C GLN A 65 21.923 18.961 -0.387 1.00 25.00 C ATOM 904 O GLN A 65 23.145 19.238 -0.558 1.00 25.00 O ATOM 905 CB GLN A 65 21.589 21.385 0.322 1.00 25.00 C ATOM 906 CG GLN A 65 22.552 21.629 1.462 1.00 25.00 C ATOM 907 CD GLN A 65 23.111 23.058 1.428 1.00 25.00 C ATOM 908 OE1 GLN A 65 23.077 23.722 0.426 1.00 25.00 O ATOM 909 NE2 GLN A 65 23.657 23.512 2.547 1.00 25.00 N ATOM 0 H GLN A 65 20.906 19.691 2.155 1.00 25.00 H new ATOM 0 HA GLN A 65 20.146 20.171 -0.620 1.00 25.00 H new ATOM 0 HB2 GLN A 65 22.117 21.629 -0.600 1.00 25.00 H new ATOM 0 HB3 GLN A 65 20.780 22.108 0.427 1.00 25.00 H new ATOM 0 HG2 GLN A 65 22.045 21.458 2.411 1.00 25.00 H new ATOM 0 HG3 GLN A 65 23.373 20.914 1.406 1.00 25.00 H new ATOM 0 HE21 GLN A 65 23.671 22.926 3.382 1.00 25.00 H new ATOM 0 HE22 GLN A 65 24.063 24.447 2.573 1.00 25.00 H new ATOM 918 N SER A 66 21.324 17.796 -0.647 1.00 25.00 N ATOM 919 CA SER A 66 22.020 16.511 -0.833 1.00 25.00 C ATOM 920 C SER A 66 21.416 15.566 -1.783 1.00 25.00 C ATOM 921 O SER A 66 20.556 15.939 -2.645 1.00 25.00 O ATOM 922 CB SER A 66 22.018 15.837 0.523 1.00 25.00 C ATOM 923 OG SER A 66 20.718 15.449 0.907 1.00 25.00 O ATOM 0 H SER A 66 20.311 17.714 -0.737 1.00 25.00 H new ATOM 0 HA SER A 66 22.999 16.750 -1.248 1.00 25.00 H new ATOM 0 HB2 SER A 66 22.667 14.961 0.496 1.00 25.00 H new ATOM 0 HB3 SER A 66 22.431 16.517 1.269 1.00 25.00 H new ATOM 0 HG SER A 66 20.752 15.016 1.785 1.00 25.00 H new ATOM 929 N GLU A 67 21.801 14.319 -1.754 1.00 25.00 N ATOM 930 CA GLU A 67 21.207 13.257 -2.533 1.00 25.00 C ATOM 931 C GLU A 67 19.720 13.049 -2.153 1.00 25.00 C ATOM 932 O GLU A 67 18.874 12.775 -3.055 1.00 25.00 O ATOM 933 CB GLU A 67 22.009 11.955 -2.408 1.00 25.00 C ATOM 934 CG GLU A 67 22.525 11.385 -3.680 1.00 25.00 C ATOM 935 CD GLU A 67 23.200 10.056 -3.539 1.00 25.00 C ATOM 936 OE1 GLU A 67 24.209 9.995 -2.794 1.00 25.00 O ATOM 937 OE2 GLU A 67 22.794 9.090 -4.242 1.00 25.00 O1- ATOM 0 H GLU A 67 22.569 13.998 -1.164 1.00 25.00 H new ATOM 0 HA GLU A 67 21.239 13.557 -3.580 1.00 25.00 H new ATOM 0 HB2 GLU A 67 22.854 12.134 -1.744 1.00 25.00 H new ATOM 0 HB3 GLU A 67 21.378 11.207 -1.927 1.00 25.00 H new ATOM 0 HG2 GLU A 67 21.696 11.284 -4.380 1.00 25.00 H new ATOM 0 HG3 GLU A 67 23.230 12.091 -4.120 1.00 25.00 H new ATOM 944 N ASN A 68 19.351 13.387 -0.923 1.00 25.00 N ATOM 945 CA ASN A 68 17.926 13.408 -0.584 1.00 25.00 C ATOM 946 C ASN A 68 17.183 14.724 -0.873 1.00 25.00 C ATOM 947 O ASN A 68 16.064 14.918 -0.318 1.00 25.00 O ATOM 948 CB ASN A 68 17.904 12.963 0.854 1.00 25.00 C ATOM 949 CG ASN A 68 18.260 11.524 1.040 1.00 25.00 C ATOM 950 OD1 ASN A 68 19.330 11.231 1.588 1.00 25.00 O ATOM 951 ND2 ASN A 68 17.392 10.599 0.544 1.00 25.00 N ATOM 0 H ASN A 68 19.987 13.642 -0.167 1.00 25.00 H new ATOM 0 HA ASN A 68 17.351 12.748 -1.233 1.00 25.00 H new ATOM 0 HB2 ASN A 68 18.599 13.578 1.426 1.00 25.00 H new ATOM 0 HB3 ASN A 68 16.910 13.139 1.265 1.00 25.00 H new ATOM 0 HD21 ASN A 68 17.610 9.605 0.615 1.00 25.00 H new ATOM 0 HD22 ASN A 68 16.523 10.900 0.102 1.00 25.00 H new ATOM 958 N ARG A 69 17.792 15.601 -1.695 1.00 25.00 N ATOM 959 CA ARG A 69 17.157 16.820 -2.160 1.00 25.00 C ATOM 960 C ARG A 69 16.141 16.462 -3.224 1.00 25.00 C ATOM 961 O ARG A 69 16.420 16.292 -4.406 1.00 25.00 O ATOM 962 CB ARG A 69 18.151 17.823 -2.726 1.00 25.00 C ATOM 963 CG ARG A 69 17.687 19.243 -2.781 1.00 25.00 C ATOM 964 CD ARG A 69 18.763 20.224 -3.169 1.00 25.00 C ATOM 965 NE ARG A 69 18.428 21.615 -2.781 1.00 25.00 N ATOM 966 CZ ARG A 69 19.231 22.690 -2.859 1.00 25.00 C ATOM 967 NH1 ARG A 69 18.715 23.832 -2.503 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 20.486 22.578 -3.250 1.00 25.00 N ATOM 0 H ARG A 69 18.740 15.471 -2.048 1.00 25.00 H new ATOM 0 HA ARG A 69 16.680 17.294 -1.303 1.00 25.00 H new ATOM 0 HB2 ARG A 69 19.061 17.781 -2.127 1.00 25.00 H new ATOM 0 HB3 ARG A 69 18.419 17.509 -3.735 1.00 25.00 H new ATOM 0 HG2 ARG A 69 16.866 19.319 -3.494 1.00 25.00 H new ATOM 0 HG3 ARG A 69 17.289 19.523 -1.806 1.00 25.00 H new ATOM 0 HD2 ARG A 69 19.702 19.934 -2.697 1.00 25.00 H new ATOM 0 HD3 ARG A 69 18.921 20.178 -4.247 1.00 25.00 H new ATOM 0 HE ARG A 69 17.489 21.773 -2.416 1.00 25.00 H new ATOM 0 HH11 ARG A 69 17.747 23.877 -2.185 1.00 25.00 H new ATOM 0 HH12 ARG A 69 19.279 24.681 -2.542 1.00 25.00 H new ATOM 0 HH21 ARG A 69 20.863 21.664 -3.500 1.00 25.00 H new ATOM 0 HH22 ARG A 69 21.080 23.406 -3.303 1.00 25.00 H new ATOM 982 N TRP A 70 14.999 16.231 -2.646 1.00 25.00 N ATOM 983 CA TRP A 70 13.707 15.837 -3.252 1.00 25.00 C ATOM 984 C TRP A 70 13.448 16.034 -4.686 1.00 25.00 C ATOM 985 O TRP A 70 13.886 17.040 -5.266 1.00 25.00 O ATOM 986 CB TRP A 70 12.545 16.543 -2.518 1.00 25.00 C ATOM 987 CG TRP A 70 12.596 16.317 -1.041 1.00 25.00 C ATOM 988 CD1 TRP A 70 13.258 17.066 -0.110 1.00 25.00 C ATOM 989 CD2 TRP A 70 11.985 15.234 -0.302 1.00 25.00 C ATOM 990 NE1 TRP A 70 13.130 16.500 1.128 1.00 25.00 N ATOM 991 CE2 TRP A 70 12.264 15.433 1.044 1.00 25.00 C ATOM 992 CE3 TRP A 70 11.265 14.097 -0.697 1.00 25.00 C ATOM 993 CZ2 TRP A 70 11.746 14.582 2.015 1.00 25.00 C ATOM 994 CZ3 TRP A 70 10.763 13.211 0.337 1.00 25.00 C ATOM 995 CH2 TRP A 70 11.009 13.506 1.655 1.00 25.00 C ATOM 0 H TRP A 70 14.913 16.316 -1.633 1.00 25.00 H new ATOM 0 HA TRP A 70 13.777 14.755 -3.137 1.00 25.00 H new ATOM 0 HB2 TRP A 70 12.584 17.613 -2.723 1.00 25.00 H new ATOM 0 HB3 TRP A 70 11.595 16.178 -2.908 1.00 25.00 H new ATOM 0 HD1 TRP A 70 13.804 17.974 -0.321 1.00 25.00 H new ATOM 0 HE1 TRP A 70 13.600 16.817 1.976 1.00 25.00 H new ATOM 0 HE3 TRP A 70 11.089 13.887 -1.742 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 11.933 14.781 3.060 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 10.201 12.328 0.072 1.00 25.00 H new ATOM 0 HH2 TRP A 70 10.604 12.864 2.423 1.00 25.00 H new ATOM 1006 N PHE A 71 12.749 15.076 -5.247 1.00 25.00 N ATOM 1007 CA PHE A 71 12.581 15.065 -6.657 1.00 25.00 C ATOM 1008 C PHE A 71 11.774 16.264 -7.133 1.00 25.00 C ATOM 1009 O PHE A 71 10.649 16.530 -6.682 1.00 25.00 O ATOM 1010 CB PHE A 71 11.890 13.759 -7.110 1.00 25.00 C ATOM 1011 CG PHE A 71 11.524 13.779 -8.612 1.00 25.00 C ATOM 1012 CD1 PHE A 71 12.424 13.322 -9.591 1.00 50.00 C ATOM 1013 CD2 PHE A 71 10.243 14.179 -8.947 1.00 50.00 C ATOM 1014 CE1 PHE A 71 11.982 13.213 -10.933 1.00 25.00 C ATOM 1015 CE2 PHE A 71 9.820 14.048 -10.272 1.00 25.00 C ATOM 1016 CZ PHE A 71 10.651 13.528 -11.261 1.00 25.00 C ATOM 0 H PHE A 71 12.298 14.310 -4.747 1.00 25.00 H new ATOM 0 HA PHE A 71 13.573 15.122 -7.104 1.00 25.00 H new ATOM 0 HB2 PHE A 71 12.549 12.914 -6.910 1.00 25.00 H new ATOM 0 HB3 PHE A 71 10.986 13.605 -6.520 1.00 25.00 H new ATOM 0 HD1 PHE A 71 13.437 13.058 -9.324 1.00 50.00 H new ATOM 0 HD2 PHE A 71 9.581 14.586 -8.197 1.00 50.00 H new ATOM 0 HE1 PHE A 71 12.666 12.888 -11.703 1.00 25.00 H new ATOM 0 HE2 PHE A 71 8.820 14.359 -10.537 1.00 25.00 H new ATOM 0 HZ PHE A 71 10.280 13.369 -12.263 1.00 25.00 H new ATOM 1026 N LYS A 72 12.365 16.991 -8.076 1.00 25.00 N ATOM 1027 CA LYS A 72 11.771 18.160 -8.668 1.00 25.00 C ATOM 1028 C LYS A 72 11.476 18.165 -10.123 1.00 25.00 C ATOM 1029 O LYS A 72 12.204 17.528 -10.902 1.00 25.00 O ATOM 1030 CB LYS A 72 12.730 19.355 -8.423 1.00 25.00 C ATOM 1031 CG LYS A 72 12.116 20.796 -8.537 1.00 25.00 C ATOM 1032 CD LYS A 72 13.155 21.766 -8.224 1.00 25.00 C ATOM 1033 CE LYS A 72 12.634 23.159 -8.141 1.00 25.00 C ATOM 1034 NZ LYS A 72 12.673 23.614 -6.689 1.00 25.00 N1+ ATOM 0 H LYS A 72 13.288 16.770 -8.450 1.00 25.00 H new ATOM 0 HA LYS A 72 10.794 18.206 -8.186 1.00 25.00 H new ATOM 0 HB2 LYS A 72 13.158 19.247 -7.427 1.00 25.00 H new ATOM 0 HB3 LYS A 72 13.553 19.280 -9.134 1.00 25.00 H new ATOM 0 HG2 LYS A 72 11.730 20.965 -9.542 1.00 25.00 H new ATOM 0 HG3 LYS A 72 11.276 20.905 -7.851 1.00 25.00 H new ATOM 0 HD2 LYS A 72 13.621 21.500 -7.275 1.00 25.00 H new ATOM 0 HD3 LYS A 72 13.933 21.718 -8.986 1.00 25.00 H new ATOM 0 HE2 LYS A 72 13.236 23.824 -8.761 1.00 25.00 H new ATOM 0 HE3 LYS A 72 11.614 23.203 -8.523 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 12.408 24.618 -6.633 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 12.004 23.047 -6.130 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 13.634 23.488 -6.311 1.00 25.00 H new ATOM 1048 N HIS A 73 10.444 18.885 -10.595 1.00 25.00 N ATOM 1049 CA HIS A 73 10.228 19.047 -12.075 1.00 25.00 C ATOM 1050 C HIS A 73 9.704 20.460 -12.585 1.00 25.00 C ATOM 1051 O HIS A 73 8.730 21.033 -12.049 1.00 25.00 O ATOM 1052 CB HIS A 73 9.181 18.003 -12.486 1.00 25.00 C ATOM 1053 CG HIS A 73 9.143 17.665 -13.954 1.00 25.00 C ATOM 1054 ND1 HIS A 73 10.142 16.997 -14.654 1.00 25.00 N ATOM 1055 CD2 HIS A 73 8.182 17.864 -14.926 1.00 25.00 C ATOM 1056 CE1 HIS A 73 9.811 16.840 -15.920 1.00 25.00 C ATOM 1057 NE2 HIS A 73 8.577 17.286 -16.106 1.00 25.00 N ATOM 0 H HIS A 73 9.756 19.358 -10.008 1.00 25.00 H new ATOM 0 HA HIS A 73 11.215 18.933 -12.524 1.00 25.00 H new ATOM 0 HB2 HIS A 73 9.367 17.087 -11.925 1.00 25.00 H new ATOM 0 HB3 HIS A 73 8.197 18.365 -12.189 1.00 25.00 H new ATOM 0 HD2 HIS A 73 7.254 18.397 -14.779 1.00 25.00 H new ATOM 0 HE1 HIS A 73 10.445 16.415 -16.684 1.00 25.00 H new ATOM 0 HE2 HIS A 73 8.027 17.214 -16.962 1.00 25.00 H new ATOM 1065 N ILE A 74 10.358 21.112 -13.523 1.00 25.00 N ATOM 1066 CA ILE A 74 9.938 22.325 -14.118 1.00 25.00 C ATOM 1067 C ILE A 74 8.794 21.981 -15.068 1.00 25.00 C ATOM 1068 O ILE A 74 9.032 21.051 -15.844 1.00 25.00 O ATOM 1069 CB ILE A 74 11.033 23.004 -14.971 1.00 25.00 C ATOM 1070 CG1 ILE A 74 12.199 23.383 -14.054 1.00 25.00 C ATOM 1071 CG2 ILE A 74 10.547 24.281 -15.656 1.00 25.00 C ATOM 1072 CD1 ILE A 74 13.509 23.856 -14.837 1.00 25.00 C ATOM 0 H ILE A 74 11.244 20.776 -13.899 1.00 25.00 H new ATOM 0 HA ILE A 74 9.665 23.010 -13.315 1.00 25.00 H new ATOM 0 HB ILE A 74 11.325 22.295 -15.745 1.00 25.00 H new ATOM 0 HG12 ILE A 74 11.878 24.182 -13.386 1.00 25.00 H new ATOM 0 HG13 ILE A 74 12.450 22.526 -13.429 1.00 25.00 H new ATOM 0 HG21 ILE A 74 11.360 24.712 -16.240 1.00 25.00 H new ATOM 0 HG22 ILE A 74 9.712 24.045 -16.315 1.00 25.00 H new ATOM 0 HG23 ILE A 74 10.222 24.998 -14.902 1.00 25.00 H new ATOM 0 HD11 ILE A 74 14.291 24.107 -14.120 1.00 25.00 H new ATOM 0 HD12 ILE A 74 13.856 23.051 -15.485 1.00 25.00 H new ATOM 0 HD13 ILE A 74 13.275 24.733 -15.441 1.00 25.00 H new ATOM 1084 N MET A 75 7.596 22.571 -15.001 1.00 25.00 N ATOM 1085 CA MET A 75 6.535 22.242 -15.971 1.00 25.00 C ATOM 1086 C MET A 75 5.801 23.519 -16.089 1.00 25.00 C ATOM 1087 O MET A 75 5.944 24.382 -15.274 1.00 25.00 O ATOM 1088 CB MET A 75 5.594 21.133 -15.370 1.00 25.00 C ATOM 1089 CG MET A 75 4.692 20.343 -16.297 1.00 25.00 C ATOM 1090 SD MET A 75 3.777 18.988 -15.594 1.00 25.00 S ATOM 1091 CE MET A 75 2.328 18.819 -16.506 1.00 25.00 C ATOM 0 H MET A 75 7.335 23.266 -14.302 1.00 25.00 H new ATOM 0 HA MET A 75 6.907 21.863 -16.923 1.00 25.00 H new ATOM 0 HB2 MET A 75 6.225 20.419 -14.841 1.00 25.00 H new ATOM 0 HB3 MET A 75 4.959 21.611 -14.624 1.00 25.00 H new ATOM 0 HG2 MET A 75 3.978 21.036 -16.743 1.00 25.00 H new ATOM 0 HG3 MET A 75 5.305 19.950 -17.109 1.00 25.00 H new ATOM 0 HE1 MET A 75 1.739 17.995 -16.103 1.00 25.00 H new ATOM 0 HE2 MET A 75 1.751 19.742 -16.446 1.00 25.00 H new ATOM 0 HE3 MET A 75 2.575 18.613 -17.547 1.00 25.00 H new ATOM 1101 N THR A 76 5.009 23.723 -17.124 1.00 25.00 N ATOM 1102 CA THR A 76 4.357 25.001 -17.345 1.00 25.00 C ATOM 1103 C THR A 76 3.005 25.087 -16.645 1.00 25.00 C ATOM 1104 O THR A 76 2.537 24.056 -16.180 1.00 25.00 O ATOM 1105 CB THR A 76 4.127 25.307 -18.861 1.00 25.00 C ATOM 1106 OG1 THR A 76 3.380 24.262 -19.389 1.00 25.00 O ATOM 1107 CG2 THR A 76 5.435 25.270 -19.693 1.00 25.00 C ATOM 0 H THR A 76 4.800 23.016 -17.829 1.00 25.00 H new ATOM 0 HA THR A 76 5.042 25.737 -16.925 1.00 25.00 H new ATOM 0 HB THR A 76 3.667 26.294 -18.915 1.00 25.00 H new ATOM 0 HG1 THR A 76 3.217 24.425 -20.341 1.00 25.00 H new ATOM 0 HG21 THR A 76 5.209 25.490 -20.736 1.00 25.00 H new ATOM 0 HG22 THR A 76 6.132 26.014 -19.308 1.00 25.00 H new ATOM 0 HG23 THR A 76 5.884 24.280 -19.620 1.00 25.00 H new ATOM 1115 N GLY A 77 2.409 26.254 -16.523 1.00 25.00 N ATOM 1116 CA GLY A 77 1.011 26.241 -16.047 1.00 25.00 C ATOM 1117 C GLY A 77 -0.027 25.816 -17.067 1.00 25.00 C ATOM 1118 O GLY A 77 0.253 25.493 -18.248 1.00 25.00 O ATOM 0 H GLY A 77 2.817 27.167 -16.725 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.945 25.572 -15.189 1.00 25.00 H new ATOM 0 HA3 GLY A 77 0.758 27.240 -15.693 1.00 25.00 H new ATOM 1122 N GLY A 78 -1.267 25.731 -16.630 1.00 25.00 N ATOM 1123 CA GLY A 78 -2.396 25.145 -17.344 1.00 25.00 C ATOM 1124 C GLY A 78 -3.007 24.147 -16.370 1.00 25.00 C ATOM 1125 O GLY A 78 -2.627 24.122 -15.211 1.00 25.00 O ATOM 0 H GLY A 78 -1.535 26.089 -15.713 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -3.119 25.908 -17.632 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -2.070 24.653 -18.260 1.00 25.00 H new ATOM 1129 N GLU A 79 -3.982 23.334 -16.857 1.00 25.00 N ATOM 1130 CA GLU A 79 -4.444 22.249 -16.003 1.00 25.00 C ATOM 1131 C GLU A 79 -3.206 21.343 -15.858 1.00 25.00 C ATOM 1132 O GLU A 79 -2.429 21.130 -16.820 1.00 25.00 O ATOM 1133 CB GLU A 79 -5.705 21.509 -16.498 1.00 25.00 C ATOM 1134 CG GLU A 79 -5.550 20.882 -17.911 1.00 25.00 C ATOM 1135 CD GLU A 79 -6.820 20.064 -18.227 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -7.102 19.810 -19.422 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -7.479 19.544 -17.288 1.00 25.00 O1- ATOM 0 H GLU A 79 -4.426 23.411 -17.772 1.00 25.00 H new ATOM 0 HA GLU A 79 -4.802 22.628 -15.046 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -5.956 20.722 -15.787 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -6.543 22.206 -16.510 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -5.407 21.663 -18.658 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -4.669 20.242 -17.946 1.00 25.00 H new ATOM 1144 N HIS A 80 -3.058 20.841 -14.661 1.00 25.00 N ATOM 1145 CA HIS A 80 -2.299 19.678 -14.358 1.00 25.00 C ATOM 1146 C HIS A 80 -3.376 18.701 -13.963 1.00 25.00 C ATOM 1147 O HIS A 80 -4.435 19.133 -13.446 1.00 25.00 O ATOM 1148 CB HIS A 80 -1.365 19.980 -13.233 1.00 25.00 C ATOM 1149 CG HIS A 80 -0.167 20.724 -13.619 1.00 25.00 C ATOM 1150 ND1 HIS A 80 1.113 20.359 -13.324 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -0.032 21.864 -14.363 1.00 25.00 C ATOM 1152 CE1 HIS A 80 1.956 21.299 -13.753 1.00 25.00 C ATOM 1153 NE2 HIS A 80 1.283 22.133 -14.477 1.00 25.00 N ATOM 0 H HIS A 80 -3.489 21.260 -13.837 1.00 25.00 H new ATOM 0 HA HIS A 80 -1.671 19.303 -15.166 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -1.902 20.550 -12.475 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -1.060 19.042 -12.769 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -0.838 22.446 -14.785 1.00 25.00 H new ATOM 0 HE1 HIS A 80 3.012 21.354 -13.535 1.00 25.00 H new ATOM 0 HE2 HIS A 80 1.685 22.878 -15.046 1.00 25.00 H new ATOM 1161 N THR A 81 -3.145 17.452 -14.326 1.00 25.00 N ATOM 1162 CA THR A 81 -4.165 16.438 -14.152 1.00 25.00 C ATOM 1163 C THR A 81 -3.413 15.408 -13.372 1.00 25.00 C ATOM 1164 O THR A 81 -2.356 14.882 -13.773 1.00 25.00 O ATOM 1165 CB THR A 81 -4.531 15.851 -15.570 1.00 25.00 C ATOM 1166 OG1 THR A 81 -5.054 16.856 -16.474 1.00 25.00 O ATOM 1167 CG2 THR A 81 -5.519 14.672 -15.433 1.00 25.00 C ATOM 0 H THR A 81 -2.273 17.120 -14.737 1.00 25.00 H new ATOM 0 HA THR A 81 -5.087 16.780 -13.682 1.00 25.00 H new ATOM 0 HB THR A 81 -3.603 15.486 -16.009 1.00 25.00 H new ATOM 0 HG1 THR A 81 -5.987 17.049 -16.244 1.00 25.00 H new ATOM 0 HG21 THR A 81 -5.759 14.281 -16.422 1.00 25.00 H new ATOM 0 HG22 THR A 81 -5.064 13.884 -14.832 1.00 25.00 H new ATOM 0 HG23 THR A 81 -6.432 15.017 -14.948 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.871 15.077 -12.199 1.00 25.00 N ATOM 1176 CA PHE A 82 -3.157 14.204 -11.284 1.00 25.00 C ATOM 1177 C PHE A 82 -3.930 12.936 -11.093 1.00 25.00 C ATOM 1178 O PHE A 82 -5.084 12.916 -10.735 1.00 25.00 O ATOM 1179 CB PHE A 82 -3.048 14.922 -9.947 1.00 25.00 C ATOM 1180 CG PHE A 82 -2.095 16.172 -9.975 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -0.749 16.090 -9.516 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.637 17.389 -10.313 1.00 50.00 C ATOM 1183 CE1 PHE A 82 0.023 17.255 -9.369 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -1.850 18.599 -10.235 1.00 25.00 C ATOM 1185 CZ PHE A 82 -0.539 18.515 -9.695 1.00 25.00 C ATOM 0 H PHE A 82 -4.765 15.407 -11.836 1.00 25.00 H new ATOM 0 HA PHE A 82 -2.170 13.966 -11.681 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -4.042 15.241 -9.634 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -2.688 14.219 -9.196 1.00 25.00 H new ATOM 0 HD1 PHE A 82 -0.320 15.128 -9.280 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.665 17.442 -10.641 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.039 17.191 -9.009 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -2.248 19.542 -10.578 1.00 25.00 H new ATOM 0 HZ PHE A 82 0.033 19.416 -9.532 1.00 25.00 H new ATOM 1195 N THR A 83 -3.268 11.843 -11.473 1.00 25.00 N ATOM 1196 CA THR A 83 -3.853 10.483 -11.460 1.00 25.00 C ATOM 1197 C THR A 83 -2.749 9.729 -10.760 1.00 25.00 C ATOM 1198 O THR A 83 -1.781 9.304 -11.377 1.00 25.00 O ATOM 1199 CB THR A 83 -4.135 9.924 -12.883 1.00 25.00 C ATOM 1200 OG1 THR A 83 -4.933 10.901 -13.473 1.00 25.00 O ATOM 1201 CG2 THR A 83 -5.093 8.690 -12.843 1.00 25.00 C ATOM 0 H THR A 83 -2.303 11.866 -11.803 1.00 25.00 H new ATOM 0 HA THR A 83 -4.831 10.422 -10.984 1.00 25.00 H new ATOM 0 HB THR A 83 -3.193 9.669 -13.368 1.00 25.00 H new ATOM 0 HG1 THR A 83 -5.161 10.629 -14.386 1.00 25.00 H new ATOM 0 HG21 THR A 83 -5.265 8.330 -13.857 1.00 25.00 H new ATOM 0 HG22 THR A 83 -4.640 7.897 -12.248 1.00 25.00 H new ATOM 0 HG23 THR A 83 -6.043 8.982 -12.396 1.00 25.00 H new ATOM 1209 N TRP A 84 -2.985 9.584 -9.475 1.00 25.00 N ATOM 1210 CA TRP A 84 -2.027 8.805 -8.556 1.00 25.00 C ATOM 1211 C TRP A 84 -2.744 7.596 -8.128 1.00 25.00 C ATOM 1212 O TRP A 84 -3.738 7.681 -7.383 1.00 25.00 O ATOM 1213 CB TRP A 84 -1.594 9.651 -7.396 1.00 25.00 C ATOM 1214 CG TRP A 84 -0.926 10.915 -7.723 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.626 11.436 -8.919 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -0.229 11.792 -6.793 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.092 12.699 -8.801 1.00 25.00 N ATOM 1218 CE2 TRP A 84 0.193 12.920 -7.479 1.00 25.00 C ATOM 1219 CE3 TRP A 84 0.065 11.669 -5.431 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 0.864 13.980 -6.871 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 0.731 12.733 -4.794 1.00 25.00 C ATOM 1222 CH2 TRP A 84 1.127 13.879 -5.520 1.00 25.00 C ATOM 0 H TRP A 84 -3.802 9.968 -9.001 1.00 25.00 H new ATOM 0 HA TRP A 84 -1.111 8.529 -9.078 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -2.472 9.876 -6.791 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -0.921 9.060 -6.775 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -0.783 10.929 -9.859 1.00 25.00 H new ATOM 0 HE1 TRP A 84 0.064 13.356 -9.565 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -0.212 10.781 -4.882 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 1.167 14.849 -7.437 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 0.942 12.673 -3.737 1.00 25.00 H new ATOM 0 HH2 TRP A 84 1.640 14.683 -5.013 1.00 25.00 H new ATOM 1233 N THR A 85 -2.194 6.480 -8.541 1.00 25.00 N ATOM 1234 CA THR A 85 -2.882 5.209 -8.569 1.00 25.00 C ATOM 1235 C THR A 85 -2.002 4.236 -7.820 1.00 25.00 C ATOM 1236 O THR A 85 -0.901 4.603 -7.479 1.00 25.00 O ATOM 1237 CB THR A 85 -2.915 4.795 -10.042 1.00 25.00 C ATOM 1238 OG1 THR A 85 -1.707 5.146 -10.666 1.00 25.00 O ATOM 1239 CG2 THR A 85 -3.938 5.624 -10.834 1.00 25.00 C ATOM 0 H THR A 85 -1.232 6.428 -8.876 1.00 25.00 H new ATOM 0 HA THR A 85 -3.882 5.243 -8.137 1.00 25.00 H new ATOM 0 HB THR A 85 -3.133 3.727 -10.045 1.00 25.00 H new ATOM 0 HG1 THR A 85 -1.109 4.369 -10.682 1.00 25.00 H new ATOM 0 HG21 THR A 85 -3.936 5.305 -11.876 1.00 25.00 H new ATOM 0 HG22 THR A 85 -4.932 5.476 -10.411 1.00 25.00 H new ATOM 0 HG23 THR A 85 -3.673 6.680 -10.777 1.00 25.00 H new ATOM 1247 N TYR A 86 -2.644 3.221 -7.359 1.00 25.00 N ATOM 1248 CA TYR A 86 -2.123 2.146 -6.531 1.00 25.00 C ATOM 1249 C TYR A 86 -2.176 0.905 -7.343 1.00 25.00 C ATOM 1250 O TYR A 86 -3.144 0.708 -8.095 1.00 25.00 O ATOM 1251 CB TYR A 86 -2.932 2.018 -5.289 1.00 25.00 C ATOM 1252 CG TYR A 86 -2.848 3.210 -4.387 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -3.718 4.376 -4.659 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -1.999 3.266 -3.278 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -3.589 5.552 -3.856 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -1.879 4.471 -2.490 1.00 25.00 C ATOM 1257 CZ TYR A 86 -2.642 5.577 -2.830 1.00 25.00 C ATOM 1258 OH TYR A 86 -2.329 6.702 -2.102 1.00 25.00 O ATOM 0 H TYR A 86 -3.636 3.094 -7.559 1.00 25.00 H new ATOM 0 HA TYR A 86 -1.097 2.346 -6.222 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -3.974 1.853 -5.561 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -2.602 1.135 -4.741 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -4.444 4.339 -5.457 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -1.423 2.394 -3.006 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -4.217 6.411 -4.041 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -1.204 4.509 -1.648 1.00 25.00 H new ATOM 0 HH TYR A 86 -3.112 7.290 -2.055 1.00 25.00 H new ATOM 1268 N THR A 87 -1.180 0.016 -7.284 1.00 25.00 N ATOM 1269 CA THR A 87 -1.006 -1.136 -8.188 1.00 25.00 C ATOM 1270 C THR A 87 -1.770 -2.323 -7.621 1.00 25.00 C ATOM 1271 O THR A 87 -2.031 -3.363 -8.275 1.00 25.00 O ATOM 1272 CB THR A 87 0.491 -1.431 -8.408 1.00 25.00 C ATOM 1273 OG1 THR A 87 0.642 -2.415 -9.413 1.00 25.00 O ATOM 1274 CG2 THR A 87 1.221 -1.994 -7.178 1.00 25.00 C ATOM 0 H THR A 87 -0.443 0.077 -6.581 1.00 25.00 H new ATOM 0 HA THR A 87 -1.416 -0.913 -9.173 1.00 25.00 H new ATOM 0 HB THR A 87 0.923 -0.464 -8.666 1.00 25.00 H new ATOM 0 HG1 THR A 87 1.595 -2.598 -9.551 1.00 25.00 H new ATOM 0 HG21 THR A 87 2.268 -2.171 -7.425 1.00 25.00 H new ATOM 0 HG22 THR A 87 1.158 -1.278 -6.358 1.00 25.00 H new ATOM 0 HG23 THR A 87 0.756 -2.933 -6.877 1.00 25.00 H new ATOM 1282 N ALA A 88 -2.235 -2.161 -6.409 1.00 25.00 N ATOM 1283 CA ALA A 88 -2.969 -3.122 -5.661 1.00 25.00 C ATOM 1284 C ALA A 88 -3.947 -2.210 -4.849 1.00 25.00 C ATOM 1285 O ALA A 88 -3.650 -1.074 -4.673 1.00 25.00 O ATOM 1286 CB ALA A 88 -1.992 -3.854 -4.756 1.00 25.00 C ATOM 0 H ALA A 88 -2.096 -1.292 -5.893 1.00 25.00 H new ATOM 0 HA ALA A 88 -3.493 -3.884 -6.238 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -2.528 -4.599 -4.169 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -1.233 -4.348 -5.363 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -1.512 -3.141 -4.086 1.00 25.00 H new ATOM 1292 N PRO A 89 -5.163 -2.687 -4.523 1.00 25.00 N ATOM 1293 CA PRO A 89 -6.118 -1.772 -3.877 1.00 25.00 C ATOM 1294 C PRO A 89 -5.704 -1.353 -2.466 1.00 25.00 C ATOM 1295 O PRO A 89 -5.053 -2.138 -1.738 1.00 25.00 O ATOM 1296 CB PRO A 89 -7.411 -2.576 -3.932 1.00 25.00 C ATOM 1297 CG PRO A 89 -6.971 -4.041 -3.899 1.00 25.00 C ATOM 1298 CD PRO A 89 -5.784 -3.956 -4.861 1.00 25.00 C ATOM 0 HA PRO A 89 -6.196 -0.804 -4.372 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -8.058 -2.340 -3.088 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -7.975 -2.354 -4.838 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -6.682 -4.371 -2.901 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -7.748 -4.722 -4.248 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -5.095 -4.789 -4.723 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -6.108 -3.980 -5.901 1.00 25.00 H new ATOM 1306 N HIS A 90 -6.061 -0.126 -2.100 1.00 25.00 N ATOM 1307 CA HIS A 90 -5.639 0.407 -0.806 1.00 25.00 C ATOM 1308 C HIS A 90 -6.759 1.250 -0.166 1.00 25.00 C ATOM 1309 O HIS A 90 -7.505 1.876 -0.920 1.00 25.00 O ATOM 1310 CB HIS A 90 -4.409 1.330 -1.062 1.00 0.00 C ATOM 1311 CG HIS A 90 -3.075 0.641 -1.027 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -2.576 -0.088 -2.091 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -2.094 0.625 -0.085 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -1.388 -0.599 -1.636 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -0.979 -0.116 -0.464 1.00 0.00 N ATOM 0 H HIS A 90 -6.628 0.507 -2.665 1.00 25.00 H new ATOM 0 HA HIS A 90 -5.398 -0.416 -0.132 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -4.529 1.806 -2.035 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.409 2.125 -0.316 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -2.998 -0.217 -3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -2.173 1.137 0.863 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.826 -1.338 -2.187 1.00 0.00 H new ATOM 1323 N ASN A 91 -6.923 1.160 1.152 1.00 25.00 N ATOM 1324 CA ASN A 91 -8.023 1.873 1.746 1.00 25.00 C ATOM 1325 C ASN A 91 -7.742 3.366 1.975 1.00 25.00 C ATOM 1326 O ASN A 91 -6.584 3.719 1.972 1.00 25.00 O ATOM 1327 CB ASN A 91 -8.303 1.230 3.060 1.00 25.00 C ATOM 1328 CG ASN A 91 -8.691 -0.175 2.888 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -9.452 -0.548 1.983 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -8.228 -1.041 3.788 1.00 25.00 N ATOM 0 H ASN A 91 -6.335 0.626 1.792 1.00 25.00 H new ATOM 0 HA ASN A 91 -8.867 1.823 1.058 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -7.419 1.291 3.694 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -9.100 1.771 3.571 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -8.499 -2.023 3.737 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -7.602 -0.722 4.528 1.00 25.00 H new ATOM 1337 N THR A 92 -8.754 4.211 2.123 1.00 25.00 N ATOM 1338 CA THR A 92 -8.643 5.639 2.363 1.00 25.00 C ATOM 1339 C THR A 92 -9.841 6.118 3.165 1.00 25.00 C ATOM 1340 O THR A 92 -10.901 5.570 2.979 1.00 25.00 O ATOM 1341 CB THR A 92 -8.594 6.363 1.003 1.00 25.00 C ATOM 1342 OG1 THR A 92 -7.593 5.837 0.164 1.00 25.00 O ATOM 1343 CG2 THR A 92 -8.415 7.859 1.048 1.00 25.00 C ATOM 0 H THR A 92 -9.724 3.900 2.076 1.00 25.00 H new ATOM 0 HA THR A 92 -7.736 5.855 2.928 1.00 25.00 H new ATOM 0 HB THR A 92 -9.592 6.176 0.607 1.00 25.00 H new ATOM 0 HG1 THR A 92 -7.787 6.076 -0.766 1.00 25.00 H new ATOM 0 HG21 THR A 92 -8.396 8.254 0.032 1.00 25.00 H new ATOM 0 HG22 THR A 92 -9.243 8.308 1.596 1.00 25.00 H new ATOM 0 HG23 THR A 92 -7.477 8.098 1.548 1.00 25.00 H new ATOM 1351 N SER A 93 -9.702 7.138 4.023 1.00 25.00 N ATOM 1352 CA SER A 93 -10.769 7.835 4.719 1.00 25.00 C ATOM 1353 C SER A 93 -10.949 9.277 4.224 1.00 25.00 C ATOM 1354 O SER A 93 -12.040 9.844 4.209 1.00 25.00 O ATOM 1355 CB SER A 93 -10.560 7.910 6.244 1.00 25.00 C ATOM 1356 OG SER A 93 -9.371 8.553 6.567 1.00 25.00 O ATOM 0 H SER A 93 -8.783 7.514 4.257 1.00 25.00 H new ATOM 0 HA SER A 93 -11.654 7.238 4.498 1.00 25.00 H new ATOM 0 HB2 SER A 93 -11.396 8.439 6.701 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.554 6.903 6.661 1.00 25.00 H new ATOM 0 HG SER A 93 -9.270 8.585 7.541 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.844 9.836 3.771 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.748 11.174 3.193 1.00 25.00 C ATOM 1364 C GLN A 94 -8.376 11.292 2.507 1.00 25.00 C ATOM 1365 O GLN A 94 -7.465 10.600 2.883 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.720 12.181 4.364 1.00 25.00 C ATOM 1367 CG GLN A 94 -10.138 13.612 4.057 1.00 25.00 C ATOM 1368 CD GLN A 94 -10.249 14.569 5.247 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -9.810 14.299 6.375 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -10.827 15.658 4.989 1.00 25.00 N ATOM 0 H GLN A 94 -8.946 9.354 3.794 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.571 11.357 2.503 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -10.369 11.801 5.153 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -8.708 12.203 4.767 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -9.422 14.031 3.350 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -11.104 13.583 3.553 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -11.174 15.841 4.047 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -10.948 16.357 5.722 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.216 12.218 1.570 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.927 12.452 0.959 1.00 25.00 C ATOM 1381 C TRP A 95 -6.821 14.008 0.703 1.00 25.00 C ATOM 1382 O TRP A 95 -7.839 14.668 0.570 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.809 11.508 -0.286 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.893 11.412 -1.328 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -9.084 10.886 -1.122 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -7.790 11.658 -2.708 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -9.809 10.815 -2.285 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -9.062 11.410 -3.256 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -6.749 12.114 -3.570 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -9.317 11.503 -4.618 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -7.037 12.219 -4.955 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -8.326 11.963 -5.438 1.00 25.00 C ATOM 0 H TRP A 95 -8.966 12.815 1.221 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.064 12.198 1.574 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.896 11.793 -0.809 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.655 10.500 0.099 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -9.444 10.553 -0.160 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -10.732 10.396 -2.400 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -5.775 12.371 -3.181 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -10.278 11.218 -5.020 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -6.254 12.499 -5.644 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -8.542 12.133 -6.482 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.639 14.609 0.799 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.439 16.013 0.854 1.00 25.00 C ATOM 1405 C HIS A 96 -4.200 16.390 0.141 1.00 25.00 C ATOM 1406 O HIS A 96 -3.200 15.654 0.125 1.00 25.00 O ATOM 1407 CB HIS A 96 -5.163 16.462 2.319 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.959 15.817 3.436 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.837 16.529 4.246 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.869 14.631 4.006 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -7.186 15.791 5.275 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.616 14.639 5.180 1.00 25.00 N ATOM 0 H HIS A 96 -4.765 14.084 0.841 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.332 16.468 0.425 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -4.106 16.292 2.524 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.329 17.538 2.373 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -5.308 13.791 3.624 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -7.845 16.100 6.073 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -6.698 13.871 5.846 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.260 17.603 -0.405 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.098 18.256 -1.016 1.00 25.00 C ATOM 1422 C TYR A 97 -2.940 19.662 -0.496 1.00 25.00 C ATOM 1423 O TYR A 97 -3.882 20.392 -0.462 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.190 18.298 -2.516 1.00 25.00 C ATOM 1425 CG TYR A 97 -3.137 16.897 -3.139 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -4.336 16.209 -3.473 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -1.922 16.242 -3.341 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -4.229 14.848 -4.061 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -1.874 14.929 -3.866 1.00 25.00 C ATOM 1430 CZ TYR A 97 -3.011 14.280 -4.248 1.00 25.00 C ATOM 1431 OH TYR A 97 -2.912 13.130 -4.956 1.00 25.00 O ATOM 0 H TYR A 97 -5.112 18.162 -0.438 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.229 17.658 -0.742 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -4.119 18.789 -2.808 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.373 18.901 -2.912 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -5.301 16.664 -3.304 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -1.000 16.747 -3.092 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -5.123 14.310 -4.340 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -0.920 14.432 -3.966 1.00 25.00 H new ATOM 0 HH TYR A 97 -1.975 12.844 -4.987 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.709 20.000 -0.158 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.326 21.327 0.253 1.00 25.00 C ATOM 1443 C TYR A 98 -0.176 21.651 -0.643 1.00 25.00 C ATOM 1444 O TYR A 98 0.455 20.763 -1.176 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.881 21.382 1.706 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.854 20.786 2.663 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.908 19.411 2.974 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.847 21.593 3.281 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.924 18.865 3.762 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -3.777 21.087 4.194 1.00 25.00 C ATOM 1451 CZ TYR A 98 -3.853 19.728 4.429 1.00 25.00 C ATOM 1452 OH TYR A 98 -4.703 19.146 5.287 1.00 25.00 O ATOM 0 H TYR A 98 -0.933 19.338 -0.164 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.160 22.025 0.179 1.00 25.00 H new ATOM 0 HB2 TYR A 98 0.072 20.862 1.803 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.707 22.422 1.982 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.138 18.759 2.590 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -2.885 22.644 3.034 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -3.009 17.794 3.868 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -4.439 21.761 4.718 1.00 25.00 H new ATOM 0 HH TYR A 98 -5.286 19.827 5.682 1.00 25.00 H new ATOM 1462 N ILE A 99 0.251 22.919 -0.588 1.00 25.00 N ATOM 1463 CA ILE A 99 1.516 23.326 -1.192 1.00 25.00 C ATOM 1464 C ILE A 99 2.168 24.168 -0.106 1.00 25.00 C ATOM 1465 O ILE A 99 1.408 24.781 0.690 1.00 25.00 O ATOM 1466 CB ILE A 99 1.373 24.122 -2.534 1.00 25.00 C ATOM 1467 CG1 ILE A 99 0.453 25.336 -2.385 1.00 25.00 C ATOM 1468 CG2 ILE A 99 0.757 23.156 -3.582 1.00 25.00 C ATOM 1469 CD1 ILE A 99 0.322 26.231 -3.620 1.00 25.00 C ATOM 0 H ILE A 99 -0.262 23.674 -0.133 1.00 25.00 H new ATOM 0 HA ILE A 99 2.103 22.458 -1.493 1.00 25.00 H new ATOM 0 HB ILE A 99 2.355 24.487 -2.836 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -0.541 24.983 -2.109 1.00 25.00 H new ATOM 0 HG13 ILE A 99 0.817 25.944 -1.557 1.00 25.00 H new ATOM 0 HG21 ILE A 99 0.642 23.676 -4.533 1.00 25.00 H new ATOM 0 HG22 ILE A 99 1.414 22.297 -3.716 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -0.218 22.816 -3.234 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -0.353 27.058 -3.400 1.00 25.00 H new ATOM 0 HD12 ILE A 99 1.302 26.624 -3.890 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -0.076 25.649 -4.451 1.00 25.00 H new ATOM 1481 N THR A 100 3.485 24.309 -0.091 1.00 25.00 N ATOM 1482 CA THR A 100 4.018 25.354 0.730 1.00 25.00 C ATOM 1483 C THR A 100 3.903 26.601 -0.037 1.00 25.00 C ATOM 1484 O THR A 100 3.779 26.648 -1.225 1.00 25.00 O ATOM 1485 CB THR A 100 5.580 25.056 0.852 1.00 25.00 C ATOM 1486 OG1 THR A 100 6.204 24.868 -0.452 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.843 23.843 1.711 1.00 25.00 C ATOM 0 H THR A 100 4.159 23.745 -0.608 1.00 25.00 H new ATOM 0 HA THR A 100 3.517 25.418 1.696 1.00 25.00 H new ATOM 0 HB THR A 100 6.023 25.933 1.324 1.00 25.00 H new ATOM 0 HG1 THR A 100 6.954 24.242 -0.369 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.917 23.667 1.774 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.444 24.012 2.711 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.358 22.972 1.269 1.00 25.00 H new ATOM 1495 N LYS A 101 3.830 27.654 0.733 1.00 25.00 N ATOM 1496 CA LYS A 101 3.593 29.035 0.173 1.00 25.00 C ATOM 1497 C LYS A 101 4.913 29.703 -0.205 1.00 25.00 C ATOM 1498 O LYS A 101 5.720 30.111 0.663 1.00 25.00 O ATOM 1499 CB LYS A 101 2.902 29.876 1.287 1.00 25.00 C ATOM 1500 CG LYS A 101 2.375 31.262 0.943 1.00 25.00 C ATOM 1501 CD LYS A 101 1.510 31.872 2.044 1.00 25.00 C ATOM 1502 CE LYS A 101 1.074 33.347 1.699 1.00 25.00 C ATOM 1503 NZ LYS A 101 0.490 33.986 2.883 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.926 27.623 1.748 1.00 25.00 H new ATOM 0 HA LYS A 101 2.976 28.969 -0.723 1.00 25.00 H new ATOM 0 HB2 LYS A 101 2.066 29.291 1.670 1.00 25.00 H new ATOM 0 HB3 LYS A 101 3.614 29.988 2.105 1.00 25.00 H new ATOM 0 HG2 LYS A 101 3.218 31.924 0.744 1.00 25.00 H new ATOM 0 HG3 LYS A 101 1.792 31.203 0.024 1.00 25.00 H new ATOM 0 HD2 LYS A 101 0.623 31.256 2.192 1.00 25.00 H new ATOM 0 HD3 LYS A 101 2.062 31.867 2.984 1.00 25.00 H new ATOM 0 HE2 LYS A 101 1.936 33.919 1.354 1.00 25.00 H new ATOM 0 HE3 LYS A 101 0.350 33.340 0.884 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 0.205 34.958 2.648 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -0.343 33.446 3.193 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 1.194 34.007 3.649 1.00 25.00 H new ATOM 1517 N LYS A 102 5.103 29.794 -1.521 1.00 25.00 N ATOM 1518 CA LYS A 102 5.960 30.779 -2.208 1.00 25.00 C ATOM 1519 C LYS A 102 5.565 32.144 -1.634 1.00 25.00 C ATOM 1520 O LYS A 102 4.393 32.503 -1.651 1.00 25.00 O ATOM 1521 CB LYS A 102 5.863 30.682 -3.709 1.00 25.00 C ATOM 1522 CG LYS A 102 6.821 31.569 -4.436 1.00 25.00 C ATOM 1523 CD LYS A 102 6.572 31.482 -5.883 1.00 25.00 C ATOM 1524 CE LYS A 102 7.620 32.207 -6.690 1.00 25.00 C ATOM 1525 NZ LYS A 102 7.713 33.663 -6.448 1.00 25.00 N1+ ATOM 0 H LYS A 102 4.646 29.157 -2.173 1.00 25.00 H new ATOM 0 HA LYS A 102 7.018 30.593 -2.026 1.00 25.00 H new ATOM 0 HB2 LYS A 102 6.040 29.649 -4.009 1.00 25.00 H new ATOM 0 HB3 LYS A 102 4.847 30.933 -4.015 1.00 25.00 H new ATOM 0 HG2 LYS A 102 6.707 32.599 -4.098 1.00 25.00 H new ATOM 0 HG3 LYS A 102 7.846 31.273 -4.215 1.00 25.00 H new ATOM 0 HD2 LYS A 102 6.547 30.434 -6.182 1.00 25.00 H new ATOM 0 HD3 LYS A 102 5.591 31.901 -6.106 1.00 25.00 H new ATOM 0 HE2 LYS A 102 8.591 31.758 -6.480 1.00 25.00 H new ATOM 0 HE3 LYS A 102 7.416 32.044 -7.748 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 8.460 34.068 -7.048 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 6.803 34.112 -6.677 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 7.942 33.835 -5.448 1.00 25.00 H new ATOM 1539 N GLY A 103 6.494 32.790 -1.000 1.00 25.00 N ATOM 1540 CA GLY A 103 6.242 34.154 -0.506 1.00 25.00 C ATOM 1541 C GLY A 103 5.457 34.251 0.789 1.00 25.00 C ATOM 1542 O GLY A 103 4.684 35.151 0.902 1.00 25.00 O ATOM 0 H GLY A 103 7.425 32.424 -0.803 1.00 25.00 H new ATOM 0 HA2 GLY A 103 7.201 34.653 -0.366 1.00 25.00 H new ATOM 0 HA3 GLY A 103 5.705 34.706 -1.277 1.00 25.00 H new ATOM 1546 N TRP A 104 5.628 33.284 1.701 1.00 25.00 N ATOM 1547 CA TRP A 104 5.091 33.381 3.083 1.00 25.00 C ATOM 1548 C TRP A 104 5.528 34.731 3.682 1.00 25.00 C ATOM 1549 O TRP A 104 6.569 35.329 3.303 1.00 25.00 O ATOM 1550 CB TRP A 104 5.466 32.176 3.918 1.00 25.00 C ATOM 1551 CG TRP A 104 6.933 31.847 4.303 1.00 25.00 C ATOM 1552 CD1 TRP A 104 7.867 32.688 4.745 1.00 25.00 C ATOM 1553 CD2 TRP A 104 7.544 30.522 4.281 1.00 25.00 C ATOM 1554 NE1 TRP A 104 8.986 32.002 5.106 1.00 25.00 N ATOM 1555 CE2 TRP A 104 8.848 30.664 4.811 1.00 25.00 C ATOM 1556 CE3 TRP A 104 7.151 29.282 3.782 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 9.740 29.534 4.846 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 8.009 28.197 3.790 1.00 25.00 C ATOM 1559 CH2 TRP A 104 9.320 28.316 4.310 1.00 25.00 C ATOM 0 H TRP A 104 6.135 32.419 1.514 1.00 25.00 H new ATOM 0 HA TRP A 104 4.001 33.363 3.070 1.00 25.00 H new ATOM 0 HB2 TRP A 104 4.911 32.260 4.852 1.00 25.00 H new ATOM 0 HB3 TRP A 104 5.078 31.302 3.394 1.00 25.00 H new ATOM 0 HD1 TRP A 104 7.753 33.760 4.808 1.00 25.00 H new ATOM 0 HE1 TRP A 104 9.811 32.421 5.535 1.00 25.00 H new ATOM 0 HE3 TRP A 104 6.155 29.165 3.380 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 10.723 29.628 5.282 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 7.675 27.249 3.395 1.00 25.00 H new ATOM 0 HH2 TRP A 104 9.991 27.470 4.292 1.00 25.00 H new ATOM 1570 N ASP A 105 4.790 35.108 4.699 1.00 25.00 N ATOM 1571 CA ASP A 105 5.152 36.219 5.617 1.00 25.00 C ATOM 1572 C ASP A 105 5.657 35.462 6.854 1.00 25.00 C ATOM 1573 O ASP A 105 4.860 34.882 7.568 1.00 25.00 O ATOM 1574 CB ASP A 105 4.023 37.217 5.967 1.00 25.00 C ATOM 1575 CG ASP A 105 4.516 38.319 6.839 1.00 25.00 C ATOM 1576 OD1 ASP A 105 3.880 39.390 6.769 1.00 25.00 O ATOM 1577 OD2 ASP A 105 5.504 38.144 7.617 1.00 25.00 O1- ATOM 0 H ASP A 105 3.904 34.660 4.935 1.00 25.00 H new ATOM 0 HA ASP A 105 5.876 36.888 5.152 1.00 25.00 H new ATOM 0 HB2 ASP A 105 3.609 37.636 5.050 1.00 25.00 H new ATOM 0 HB3 ASP A 105 3.213 36.689 6.470 1.00 25.00 H new ATOM 1582 N PRO A 106 6.965 35.456 7.120 1.00 25.00 N ATOM 1583 CA PRO A 106 7.541 34.662 8.191 1.00 25.00 C ATOM 1584 C PRO A 106 7.272 35.148 9.612 1.00 25.00 C ATOM 1585 O PRO A 106 7.502 34.483 10.621 1.00 25.00 O ATOM 1586 CB PRO A 106 9.031 34.721 7.939 1.00 25.00 C ATOM 1587 CG PRO A 106 9.196 36.050 7.286 1.00 25.00 C ATOM 1588 CD PRO A 106 7.993 36.206 6.400 1.00 25.00 C ATOM 0 HA PRO A 106 7.089 33.671 8.161 1.00 25.00 H new ATOM 0 HB2 PRO A 106 9.602 34.650 8.865 1.00 25.00 H new ATOM 0 HB3 PRO A 106 9.366 33.908 7.295 1.00 25.00 H new ATOM 0 HG2 PRO A 106 9.246 36.849 8.026 1.00 25.00 H new ATOM 0 HG3 PRO A 106 10.119 36.093 6.708 1.00 25.00 H new ATOM 0 HD2 PRO A 106 7.716 37.253 6.273 1.00 25.00 H new ATOM 0 HD3 PRO A 106 8.168 35.799 5.404 1.00 25.00 H new ATOM 1596 N ASP A 107 6.841 36.414 9.668 1.00 25.00 N ATOM 1597 CA ASP A 107 6.614 37.159 10.921 1.00 25.00 C ATOM 1598 C ASP A 107 5.193 36.790 11.412 1.00 25.00 C ATOM 1599 O ASP A 107 4.701 37.366 12.400 1.00 25.00 O ATOM 1600 CB ASP A 107 6.687 38.684 10.715 1.00 25.00 C ATOM 1601 CG ASP A 107 6.676 39.453 12.030 1.00 25.00 C ATOM 1602 OD1 ASP A 107 5.980 40.508 12.133 1.00 75.00 O ATOM 1603 OD2 ASP A 107 7.391 39.080 12.938 1.00 75.00 O1- ATOM 0 H ASP A 107 6.636 36.962 8.833 1.00 25.00 H new ATOM 0 HA ASP A 107 7.388 36.893 11.640 1.00 25.00 H new ATOM 0 HB2 ASP A 107 7.594 38.929 10.162 1.00 25.00 H new ATOM 0 HB3 ASP A 107 5.844 39.005 10.103 1.00 25.00 H new ATOM 1608 N LYS A 108 4.535 35.981 10.602 1.00 25.00 N ATOM 1609 CA LYS A 108 3.120 35.702 10.650 1.00 25.00 C ATOM 1610 C LYS A 108 3.054 34.194 10.561 1.00 25.00 C ATOM 1611 O LYS A 108 4.044 33.629 10.070 1.00 25.00 O ATOM 1612 CB LYS A 108 2.334 36.398 9.587 1.00 25.00 C ATOM 1613 CG LYS A 108 2.310 37.877 9.804 1.00 25.00 C ATOM 1614 CD LYS A 108 1.266 38.511 8.953 1.00 25.00 C ATOM 1615 CE LYS A 108 1.097 39.980 9.250 1.00 25.00 C ATOM 1616 NZ LYS A 108 0.430 40.636 8.044 1.00 25.00 N1+ ATOM 0 H LYS A 108 5.005 35.474 9.852 1.00 25.00 H new ATOM 0 HA LYS A 108 2.655 36.084 11.559 1.00 25.00 H new ATOM 0 HB2 LYS A 108 2.767 36.179 8.611 1.00 25.00 H new ATOM 0 HB3 LYS A 108 1.314 36.014 9.577 1.00 25.00 H new ATOM 0 HG2 LYS A 108 2.113 38.093 10.854 1.00 25.00 H new ATOM 0 HG3 LYS A 108 3.286 38.301 9.569 1.00 25.00 H new ATOM 0 HD2 LYS A 108 1.530 38.383 7.903 1.00 25.00 H new ATOM 0 HD3 LYS A 108 0.316 38.000 9.107 1.00 25.00 H new ATOM 0 HE2 LYS A 108 0.489 40.120 10.144 1.00 25.00 H new ATOM 0 HE3 LYS A 108 2.064 40.442 9.447 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 0.303 41.652 8.227 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 1.029 40.508 7.204 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 -0.498 40.196 7.878 1.00 25.00 H new ATOM 1630 N PRO A 109 2.049 33.472 11.039 1.00 25.00 N ATOM 1631 CA PRO A 109 2.053 32.002 11.213 1.00 25.00 C ATOM 1632 C PRO A 109 2.920 31.096 10.393 1.00 25.00 C ATOM 1633 O PRO A 109 2.677 30.516 9.328 1.00 25.00 O ATOM 1634 CB PRO A 109 0.544 31.616 11.313 1.00 25.00 C ATOM 1635 CG PRO A 109 -0.132 32.747 11.837 1.00 25.00 C ATOM 1636 CD PRO A 109 0.789 33.960 11.628 1.00 25.00 C ATOM 0 HA PRO A 109 2.636 31.791 12.109 1.00 25.00 H new ATOM 0 HB2 PRO A 109 0.148 31.347 10.334 1.00 25.00 H new ATOM 0 HB3 PRO A 109 0.408 30.750 11.960 1.00 25.00 H new ATOM 0 HG2 PRO A 109 -1.085 32.895 11.330 1.00 25.00 H new ATOM 0 HG3 PRO A 109 -0.352 32.608 12.895 1.00 25.00 H new ATOM 0 HD2 PRO A 109 0.317 34.689 10.970 1.00 25.00 H new ATOM 0 HD3 PRO A 109 0.980 34.463 12.576 1.00 25.00 H new ATOM 1644 N LEU A 110 4.072 30.892 10.983 1.00 25.00 N ATOM 1645 CA LEU A 110 5.197 30.218 10.372 1.00 25.00 C ATOM 1646 C LEU A 110 4.987 28.724 10.236 1.00 25.00 C ATOM 1647 O LEU A 110 5.779 28.052 9.577 1.00 25.00 O ATOM 1648 CB LEU A 110 6.492 30.648 11.203 1.00 25.00 C ATOM 1649 CG LEU A 110 7.824 30.262 10.500 1.00 25.00 C ATOM 1650 CD1 LEU A 110 8.050 30.810 9.099 1.00 50.00 C ATOM 1651 CD2 LEU A 110 8.948 30.726 11.400 1.00 50.00 C ATOM 0 H LEU A 110 4.261 31.201 11.936 1.00 25.00 H new ATOM 0 HA LEU A 110 5.326 30.524 9.334 1.00 25.00 H new ATOM 0 HB2 LEU A 110 6.472 31.726 11.363 1.00 25.00 H new ATOM 0 HB3 LEU A 110 6.458 30.179 12.186 1.00 25.00 H new ATOM 0 HG LEU A 110 7.783 29.183 10.351 1.00 25.00 H new ATOM 0 HD11 LEU A 110 9.014 30.466 8.725 1.00 50.00 H new ATOM 0 HD12 LEU A 110 7.258 30.458 8.438 1.00 50.00 H new ATOM 0 HD13 LEU A 110 8.040 31.900 9.128 1.00 50.00 H new ATOM 0 HD21 LEU A 110 9.906 30.475 10.945 1.00 50.00 H new ATOM 0 HD22 LEU A 110 8.883 31.805 11.536 1.00 50.00 H new ATOM 0 HD23 LEU A 110 8.866 30.232 12.368 1.00 50.00 H new ATOM 1663 N LYS A 111 4.016 28.127 10.919 1.00 25.00 N ATOM 1664 CA LYS A 111 3.699 26.742 10.798 1.00 25.00 C ATOM 1665 C LYS A 111 2.284 26.529 10.316 1.00 25.00 C ATOM 1666 O LYS A 111 1.802 25.414 10.329 1.00 25.00 O ATOM 1667 CB LYS A 111 4.086 26.020 12.066 1.00 25.00 C ATOM 1668 CG LYS A 111 5.569 25.927 12.278 1.00 25.00 C ATOM 1669 CD LYS A 111 6.271 24.699 11.812 1.00 25.00 C ATOM 1670 CE LYS A 111 6.354 24.412 10.369 1.00 25.00 C ATOM 1671 NZ LYS A 111 7.106 25.358 9.499 1.00 25.00 N1+ ATOM 0 H LYS A 111 3.423 28.622 11.585 1.00 25.00 H new ATOM 0 HA LYS A 111 4.296 26.284 10.009 1.00 25.00 H new ATOM 0 HB2 LYS A 111 3.638 26.533 12.917 1.00 25.00 H new ATOM 0 HB3 LYS A 111 3.667 25.014 12.043 1.00 25.00 H new ATOM 0 HG2 LYS A 111 6.030 26.782 11.784 1.00 25.00 H new ATOM 0 HG3 LYS A 111 5.760 26.035 13.346 1.00 25.00 H new ATOM 0 HD2 LYS A 111 7.290 24.741 12.196 1.00 25.00 H new ATOM 0 HD3 LYS A 111 5.786 23.846 12.287 1.00 25.00 H new ATOM 0 HE2 LYS A 111 6.803 23.426 10.252 1.00 25.00 H new ATOM 0 HE3 LYS A 111 5.336 24.346 9.985 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 7.192 24.957 8.543 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 6.597 26.264 9.450 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 8.055 25.515 9.895 1.00 25.00 H new ATOM 1685 N ARG A 112 1.606 27.620 9.957 1.00 25.00 N ATOM 1686 CA ARG A 112 0.215 27.526 9.578 1.00 25.00 C ATOM 1687 C ARG A 112 -0.249 28.303 8.365 1.00 25.00 C ATOM 1688 O ARG A 112 -0.886 27.775 7.477 1.00 25.00 O ATOM 1689 CB ARG A 112 -0.600 28.117 10.718 1.00 25.00 C ATOM 1690 CG ARG A 112 -0.583 27.365 12.032 1.00 25.00 C ATOM 1691 CD ARG A 112 -1.501 28.038 12.973 1.00 25.00 C ATOM 1692 NE ARG A 112 -2.900 27.754 12.657 1.00 25.00 N ATOM 1693 CZ ARG A 112 -3.935 28.449 13.141 1.00 25.00 C ATOM 1694 NH1 ARG A 112 -5.093 28.167 12.599 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 -3.820 29.452 14.026 1.00 25.00 N ATOM 0 H ARG A 112 1.999 28.561 9.924 1.00 25.00 H new ATOM 0 HA ARG A 112 0.083 26.469 9.348 1.00 25.00 H new ATOM 0 HB2 ARG A 112 -0.242 29.130 10.902 1.00 25.00 H new ATOM 0 HB3 ARG A 112 -1.635 28.200 10.388 1.00 25.00 H new ATOM 0 HG2 ARG A 112 -0.890 26.330 11.879 1.00 25.00 H new ATOM 0 HG3 ARG A 112 0.427 27.341 12.441 1.00 25.00 H new ATOM 0 HD2 ARG A 112 -1.284 27.712 13.990 1.00 25.00 H new ATOM 0 HD3 ARG A 112 -1.331 29.114 12.940 1.00 25.00 H new ATOM 0 HE ARG A 112 -3.099 26.977 12.028 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -5.154 27.462 11.865 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -5.934 28.652 12.911 1.00 25.00 H new ATOM 0 HH21 ARG A 112 -2.900 29.725 14.370 1.00 25.00 H new ATOM 0 HH22 ARG A 112 -4.653 29.941 14.354 1.00 25.00 H new ATOM 1709 N ALA A 113 0.175 29.558 8.323 1.00 25.00 N ATOM 1710 CA ALA A 113 0.100 30.350 7.114 1.00 25.00 C ATOM 1711 C ALA A 113 1.225 30.096 6.082 1.00 25.00 C ATOM 1712 O ALA A 113 1.215 30.689 4.997 1.00 25.00 O ATOM 1713 CB ALA A 113 0.014 31.874 7.527 1.00 25.00 C ATOM 0 H ALA A 113 0.577 30.049 9.122 1.00 25.00 H new ATOM 0 HA ALA A 113 -0.798 30.037 6.581 1.00 25.00 H new ATOM 0 HB1 ALA A 113 -0.043 32.491 6.630 1.00 25.00 H new ATOM 0 HB2 ALA A 113 -0.875 32.036 8.137 1.00 25.00 H new ATOM 0 HB3 ALA A 113 0.901 32.147 8.099 1.00 25.00 H new ATOM 1719 N ASP A 114 2.225 29.253 6.395 1.00 25.00 N ATOM 1720 CA ASP A 114 3.325 28.885 5.523 1.00 25.00 C ATOM 1721 C ASP A 114 3.018 27.759 4.542 1.00 25.00 C ATOM 1722 O ASP A 114 3.971 27.298 3.834 1.00 25.00 O ATOM 1723 CB ASP A 114 4.505 28.415 6.385 1.00 25.00 C ATOM 1724 CG ASP A 114 4.319 27.042 6.978 1.00 25.00 C ATOM 1725 OD1 ASP A 114 5.282 26.236 6.976 1.00 25.00 O ATOM 1726 OD2 ASP A 114 3.267 26.814 7.556 1.00 25.00 O1- ATOM 0 H ASP A 114 2.279 28.796 7.305 1.00 25.00 H new ATOM 0 HA ASP A 114 3.540 29.778 4.937 1.00 25.00 H new ATOM 0 HB2 ASP A 114 5.410 28.418 5.778 1.00 25.00 H new ATOM 0 HB3 ASP A 114 4.660 29.131 7.192 1.00 25.00 H new ATOM 1731 N PHE A 115 1.741 27.366 4.494 1.00 25.00 N ATOM 1732 CA PHE A 115 1.265 26.412 3.489 1.00 25.00 C ATOM 1733 C PHE A 115 -0.108 26.867 3.067 1.00 25.00 C ATOM 1734 O PHE A 115 -0.686 27.798 3.705 1.00 25.00 O ATOM 1735 CB PHE A 115 1.166 25.007 4.048 1.00 25.00 C ATOM 1736 CG PHE A 115 0.213 24.846 5.270 1.00 25.00 C ATOM 1737 CD1 PHE A 115 0.750 24.925 6.594 1.00 50.00 C ATOM 1738 CD2 PHE A 115 -1.150 24.441 5.098 1.00 50.00 C ATOM 1739 CE1 PHE A 115 -0.063 24.467 7.666 1.00 25.00 C ATOM 1740 CE2 PHE A 115 -1.939 24.069 6.204 1.00 25.00 C ATOM 1741 CZ PHE A 115 -1.382 24.085 7.462 1.00 25.00 C ATOM 0 H PHE A 115 1.021 27.693 5.138 1.00 25.00 H new ATOM 0 HA PHE A 115 1.966 26.384 2.655 1.00 25.00 H new ATOM 0 HB2 PHE A 115 0.829 24.340 3.254 1.00 25.00 H new ATOM 0 HB3 PHE A 115 2.163 24.678 4.339 1.00 25.00 H new ATOM 0 HD1 PHE A 115 1.739 25.319 6.773 1.00 50.00 H new ATOM 0 HD2 PHE A 115 -1.579 24.421 4.107 1.00 50.00 H new ATOM 0 HE1 PHE A 115 0.354 24.415 8.661 1.00 25.00 H new ATOM 0 HE2 PHE A 115 -2.969 23.775 6.066 1.00 25.00 H new ATOM 0 HZ PHE A 115 -1.984 23.794 8.310 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.645 26.326 1.982 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.017 26.662 1.568 1.00 25.00 C ATOM 1753 C GLU A 116 -2.688 25.336 1.225 1.00 25.00 C ATOM 1754 O GLU A 116 -2.021 24.413 0.932 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.046 27.527 0.345 1.00 25.00 C ATOM 1756 CG GLU A 116 -1.511 29.019 0.542 1.00 25.00 C ATOM 1757 CD GLU A 116 -1.729 29.919 -0.769 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -2.006 31.147 -0.604 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -1.670 29.468 -1.907 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.167 25.661 1.374 1.00 25.00 H new ATOM 0 HA GLU A 116 -2.515 27.210 2.368 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.451 27.047 -0.432 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.072 27.573 -0.021 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -2.025 29.479 1.386 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -0.450 28.993 0.791 1.00 25.00 H new ATOM 1766 N LEU A 117 -4.004 25.215 1.308 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.691 23.982 0.844 1.00 25.00 C ATOM 1768 C LEU A 117 -5.272 24.123 -0.618 1.00 25.00 C ATOM 1769 O LEU A 117 -6.086 25.011 -0.887 1.00 25.00 O ATOM 1770 CB LEU A 117 -5.927 23.805 1.711 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.828 22.541 1.407 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -6.234 21.231 1.860 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -8.190 22.778 1.896 1.00 50.00 C ATOM 0 H LEU A 117 -4.624 25.933 1.683 1.00 25.00 H new ATOM 0 HA LEU A 117 -3.965 23.171 0.887 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.609 23.754 2.752 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.545 24.697 1.610 1.00 25.00 H new ATOM 0 HG LEU A 117 -6.873 22.420 0.325 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.916 20.417 1.613 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.280 21.071 1.357 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -6.075 21.257 2.938 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.809 21.906 1.685 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -8.165 22.954 2.971 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.610 23.650 1.395 1.00 50.00 H new ATOM 1785 N ILE A 118 -4.814 23.255 -1.518 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.067 23.271 -2.944 1.00 25.00 C ATOM 1787 C ILE A 118 -6.173 22.304 -3.186 1.00 25.00 C ATOM 1788 O ILE A 118 -6.910 22.345 -4.224 1.00 25.00 O ATOM 1789 CB ILE A 118 -3.733 23.161 -3.806 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -3.983 23.479 -5.301 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.127 21.780 -3.761 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -4.025 25.013 -5.670 1.00 25.00 C ATOM 0 H ILE A 118 -4.218 22.474 -1.245 1.00 25.00 H new ATOM 0 HA ILE A 118 -5.423 24.233 -3.314 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.055 23.888 -3.359 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -3.201 23.002 -5.892 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -4.929 23.025 -5.598 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -2.220 21.761 -4.365 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -2.882 21.524 -2.730 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -3.841 21.056 -4.155 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -4.205 25.125 -6.739 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -4.826 25.499 -5.114 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -3.072 25.475 -5.412 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.336 21.418 -2.184 1.00 25.00 N ATOM 1805 CA GLY A 119 -7.571 20.649 -2.030 1.00 25.00 C ATOM 1806 C GLY A 119 -7.560 19.518 -1.022 1.00 25.00 C ATOM 1807 O GLY A 119 -6.534 19.135 -0.526 1.00 25.00 O ATOM 0 H GLY A 119 -5.628 21.223 -1.476 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.367 21.340 -1.754 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -7.833 20.233 -3.003 1.00 25.00 H new ATOM 1811 N ALA A 120 -8.749 19.044 -0.674 1.00 25.00 N ATOM 1812 CA ALA A 120 -8.876 17.760 0.051 1.00 25.00 C ATOM 1813 C ALA A 120 -10.109 17.121 -0.660 1.00 25.00 C ATOM 1814 O ALA A 120 -10.927 17.860 -1.204 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.008 17.951 1.546 1.00 25.00 C ATOM 0 H ALA A 120 -9.634 19.511 -0.872 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.000 17.113 0.004 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.098 16.979 2.030 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.126 18.466 1.926 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -9.896 18.547 1.760 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.184 15.805 -0.555 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.282 15.022 -1.094 1.00 25.00 C ATOM 1823 C VAL A 121 -11.508 13.950 -0.002 1.00 25.00 C ATOM 1824 O VAL A 121 -10.593 13.209 0.404 1.00 25.00 O ATOM 1825 CB VAL A 121 -10.951 14.347 -2.399 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -12.165 13.520 -2.936 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -10.657 15.379 -3.472 1.00 50.00 C ATOM 0 H VAL A 121 -9.474 15.243 -0.086 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.146 15.649 -1.313 1.00 25.00 H new ATOM 0 HB VAL A 121 -10.092 13.705 -2.202 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -11.893 13.045 -3.879 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -12.434 12.754 -2.209 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -13.015 14.183 -3.095 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -10.420 14.873 -4.408 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.531 16.015 -3.614 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.809 15.991 -3.165 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.779 13.732 0.463 1.00 25.00 N ATOM 1838 CA PRO A 122 -12.958 12.621 1.417 1.00 25.00 C ATOM 1839 C PRO A 122 -13.120 11.310 0.721 1.00 25.00 C ATOM 1840 O PRO A 122 -13.304 11.304 -0.508 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.243 13.004 2.130 1.00 25.00 C ATOM 1842 CG PRO A 122 -15.122 13.692 0.937 1.00 25.00 C ATOM 1843 CD PRO A 122 -14.050 14.466 0.197 1.00 25.00 C ATOM 0 HA PRO A 122 -12.101 12.490 2.078 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.746 12.135 2.554 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -14.060 13.698 2.950 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.607 12.951 0.302 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.906 14.342 1.325 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.263 14.509 -0.871 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.992 15.495 0.552 1.00 25.00 H new ATOM 1851 N HIS A 123 -13.061 10.206 1.471 1.00 25.00 N ATOM 1852 CA HIS A 123 -13.394 8.843 0.938 1.00 25.00 C ATOM 1853 C HIS A 123 -14.379 8.159 1.870 1.00 25.00 C ATOM 1854 O HIS A 123 -14.087 7.104 2.426 1.00 25.00 O ATOM 1855 CB HIS A 123 -12.047 8.080 0.809 1.00 25.00 C ATOM 1856 CG HIS A 123 -12.096 6.856 -0.018 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -12.430 5.607 0.510 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -11.887 6.645 -1.356 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -12.472 4.754 -0.488 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -12.118 5.325 -1.594 1.00 25.00 N ATOM 0 H HIS A 123 -12.787 10.209 2.454 1.00 25.00 H new ATOM 0 HA HIS A 123 -13.879 8.880 -0.037 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -11.304 8.756 0.386 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -11.702 7.811 1.808 1.00 25.00 H new ATOM 0 HD1 HIS A 123 -12.609 5.396 1.492 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -11.594 7.387 -2.084 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -12.762 3.718 -0.398 1.00 25.00 H new ATOM 1868 N ASP A 124 -15.474 8.815 2.087 1.00 25.00 N ATOM 1869 CA ASP A 124 -16.468 8.570 3.183 1.00 25.00 C ATOM 1870 C ASP A 124 -17.888 8.325 2.669 1.00 25.00 C ATOM 1871 O ASP A 124 -18.870 8.187 3.386 1.00 25.00 O ATOM 1872 CB ASP A 124 -16.511 9.764 4.094 1.00 25.00 C ATOM 1873 CG ASP A 124 -17.375 10.869 3.572 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -17.184 11.436 2.487 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -18.380 11.147 4.241 1.00 50.00 O1- ATOM 0 H ASP A 124 -15.752 9.593 1.488 1.00 25.00 H new ATOM 0 HA ASP A 124 -16.137 7.671 3.702 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -16.879 9.454 5.072 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -15.498 10.140 4.239 1.00 25.00 H new ATOM 1880 N GLY A 125 -17.994 8.374 1.340 1.00 25.00 N ATOM 1881 CA GLY A 125 -19.231 8.242 0.582 1.00 25.00 C ATOM 1882 C GLY A 125 -18.764 8.057 -0.849 1.00 25.00 C ATOM 1883 O GLY A 125 -17.538 7.857 -1.046 1.00 25.00 O ATOM 0 H GLY A 125 -17.181 8.513 0.740 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -19.820 7.391 0.923 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -19.860 9.126 0.686 1.00 25.00 H new ATOM 1887 N SER A 126 -19.702 8.207 -1.785 1.00 25.00 N ATOM 1888 CA SER A 126 -19.366 8.066 -3.207 1.00 25.00 C ATOM 1889 C SER A 126 -19.649 9.319 -4.085 1.00 25.00 C ATOM 1890 O SER A 126 -20.612 9.346 -4.853 1.00 25.00 O ATOM 1891 CB SER A 126 -20.120 6.833 -3.781 1.00 25.00 C ATOM 1892 OG SER A 126 -19.701 6.440 -5.060 1.00 25.00 O ATOM 0 H SER A 126 -20.681 8.422 -1.594 1.00 25.00 H new ATOM 0 HA SER A 126 -18.285 7.935 -3.250 1.00 25.00 H new ATOM 0 HB2 SER A 126 -19.993 5.994 -3.097 1.00 25.00 H new ATOM 0 HB3 SER A 126 -21.186 7.058 -3.815 1.00 25.00 H new ATOM 0 HG SER A 126 -20.231 5.670 -5.356 1.00 25.00 H new ATOM 1898 N PRO A 127 -18.895 10.402 -3.920 1.00 25.00 N ATOM 1899 CA PRO A 127 -19.105 11.626 -4.730 1.00 25.00 C ATOM 1900 C PRO A 127 -18.519 11.496 -6.189 1.00 25.00 C ATOM 1901 O PRO A 127 -17.899 10.481 -6.544 1.00 25.00 O ATOM 1902 CB PRO A 127 -18.275 12.647 -3.905 1.00 25.00 C ATOM 1903 CG PRO A 127 -17.211 11.884 -3.425 1.00 25.00 C ATOM 1904 CD PRO A 127 -17.739 10.583 -2.973 1.00 25.00 C ATOM 0 HA PRO A 127 -20.155 11.877 -4.883 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -17.929 13.476 -4.522 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -18.860 13.077 -3.092 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -16.465 11.740 -4.206 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -16.716 12.399 -2.602 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -17.002 9.785 -3.063 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -18.058 10.606 -1.931 1.00 25.00 H new ATOM 1912 N ALA A 128 -18.682 12.536 -6.998 1.00 25.00 N ATOM 1913 CA ALA A 128 -18.101 12.512 -8.340 1.00 25.00 C ATOM 1914 C ALA A 128 -16.545 12.506 -8.094 1.00 25.00 C ATOM 1915 O ALA A 128 -15.816 11.805 -8.803 1.00 25.00 O ATOM 1916 CB ALA A 128 -18.599 13.701 -9.212 1.00 25.00 C ATOM 0 H ALA A 128 -19.196 13.385 -6.761 1.00 25.00 H new ATOM 0 HA ALA A 128 -18.405 11.639 -8.917 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -18.142 13.644 -10.200 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -19.683 13.651 -9.310 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -18.320 14.642 -8.738 1.00 25.00 H new ATOM 1922 N SER A 129 -16.102 13.145 -6.968 1.00 25.00 N ATOM 1923 CA SER A 129 -14.681 13.245 -6.549 1.00 25.00 C ATOM 1924 C SER A 129 -14.044 11.888 -6.104 1.00 25.00 C ATOM 1925 O SER A 129 -12.817 11.785 -5.891 1.00 25.00 O ATOM 1926 CB SER A 129 -14.702 14.185 -5.321 1.00 25.00 C ATOM 1927 OG SER A 129 -16.010 14.776 -5.296 1.00 25.00 O ATOM 0 H SER A 129 -16.739 13.610 -6.321 1.00 25.00 H new ATOM 0 HA SER A 129 -14.084 13.592 -7.393 1.00 25.00 H new ATOM 0 HB2 SER A 129 -14.507 13.631 -4.403 1.00 25.00 H new ATOM 0 HB3 SER A 129 -13.930 14.950 -5.402 1.00 25.00 H new ATOM 0 HG SER A 129 -16.080 15.384 -4.531 1.00 25.00 H new ATOM 1933 N ARG A 130 -14.855 10.826 -6.207 1.00 25.00 N ATOM 1934 CA ARG A 130 -14.369 9.456 -6.039 1.00 25.00 C ATOM 1935 C ARG A 130 -13.499 9.035 -7.219 1.00 25.00 C ATOM 1936 O ARG A 130 -12.678 8.082 -7.187 1.00 25.00 O ATOM 1937 CB ARG A 130 -15.566 8.499 -5.831 1.00 25.00 C ATOM 1938 CG ARG A 130 -15.170 7.117 -5.239 1.00 25.00 C ATOM 1939 CD ARG A 130 -16.433 6.188 -5.276 1.00 25.00 C ATOM 1940 NE ARG A 130 -16.027 4.785 -5.084 1.00 25.00 N ATOM 1941 CZ ARG A 130 -16.844 3.724 -5.008 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -18.126 3.898 -5.036 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -16.291 2.535 -4.980 1.00 25.00 N ATOM 0 H ARG A 130 -15.853 10.894 -6.407 1.00 25.00 H new ATOM 0 HA ARG A 130 -13.738 9.407 -5.151 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -16.288 8.975 -5.167 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -16.066 8.344 -6.787 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -14.357 6.676 -5.815 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -14.811 7.230 -4.216 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -17.135 6.483 -4.496 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -16.950 6.299 -6.229 1.00 25.00 H new ATOM 0 HE ARG A 130 -15.027 4.603 -5.001 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -18.511 4.839 -5.116 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -18.751 3.094 -4.979 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -15.276 2.444 -5.016 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -16.876 1.702 -4.922 1.00 25.00 H new ATOM 1957 N ASN A 131 -13.599 9.780 -8.321 1.00 25.00 N ATOM 1958 CA ASN A 131 -12.768 9.454 -9.489 1.00 25.00 C ATOM 1959 C ASN A 131 -11.355 9.782 -9.035 1.00 25.00 C ATOM 1960 O ASN A 131 -11.135 10.885 -8.583 1.00 25.00 O ATOM 1961 CB ASN A 131 -13.096 10.342 -10.714 1.00 25.00 C ATOM 1962 CG ASN A 131 -12.391 9.805 -11.959 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -11.165 9.908 -12.011 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -13.109 9.386 -12.961 1.00 25.00 N ATOM 0 H ASN A 131 -14.219 10.582 -8.433 1.00 25.00 H new ATOM 0 HA ASN A 131 -12.924 8.420 -9.798 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -14.173 10.364 -10.878 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -12.782 11.368 -10.523 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -12.658 9.126 -13.838 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -14.123 9.318 -12.869 1.00 25.00 H new ATOM 1971 N LEU A 132 -10.432 8.840 -9.137 1.00 25.00 N ATOM 1972 CA LEU A 132 -9.123 9.069 -8.487 1.00 25.00 C ATOM 1973 C LEU A 132 -8.211 10.055 -9.244 1.00 25.00 C ATOM 1974 O LEU A 132 -7.195 10.496 -8.714 1.00 25.00 O ATOM 1975 CB LEU A 132 -8.445 7.706 -8.400 1.00 25.00 C ATOM 1976 CG LEU A 132 -7.185 7.533 -7.497 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -7.281 7.976 -6.040 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -6.858 6.092 -7.554 1.00 75.00 C ATOM 0 H LEU A 132 -10.538 7.954 -9.630 1.00 25.00 H new ATOM 0 HA LEU A 132 -9.292 9.526 -7.512 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -9.193 6.990 -8.059 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -8.164 7.415 -9.412 1.00 25.00 H new ATOM 0 HG LEU A 132 -6.423 8.205 -7.893 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -6.329 7.794 -5.541 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -7.515 9.040 -5.998 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -8.067 7.411 -5.539 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -5.979 5.894 -6.940 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -7.701 5.512 -7.178 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -6.652 5.806 -8.586 1.00 75.00 H new ATOM 1990 N SER A 133 -8.623 10.467 -10.441 1.00 25.00 N ATOM 1991 CA SER A 133 -7.915 11.511 -11.175 1.00 25.00 C ATOM 1992 C SER A 133 -8.495 12.836 -10.630 1.00 25.00 C ATOM 1993 O SER A 133 -9.662 12.939 -10.292 1.00 25.00 O ATOM 1994 CB SER A 133 -8.122 11.488 -12.665 1.00 25.00 C ATOM 1995 OG SER A 133 -7.374 12.486 -13.376 1.00 25.00 O ATOM 0 H SER A 133 -9.442 10.094 -10.922 1.00 25.00 H new ATOM 0 HA SER A 133 -6.843 11.375 -11.030 1.00 25.00 H new ATOM 0 HB2 SER A 133 -7.846 10.504 -13.044 1.00 25.00 H new ATOM 0 HB3 SER A 133 -9.183 11.625 -12.876 1.00 25.00 H new ATOM 0 HG SER A 133 -6.463 12.162 -13.533 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.630 13.844 -10.534 1.00 25.00 N ATOM 2002 CA HIS A 134 -8.099 15.193 -10.183 1.00 25.00 C ATOM 2003 C HIS A 134 -7.440 16.293 -11.012 1.00 25.00 C ATOM 2004 O HIS A 134 -6.220 16.287 -11.220 1.00 25.00 O ATOM 2005 CB HIS A 134 -7.780 15.462 -8.741 1.00 25.00 C ATOM 2006 CG HIS A 134 -8.123 16.820 -8.231 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -7.265 17.644 -7.496 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -9.333 17.483 -8.208 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -7.951 18.760 -7.197 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -9.191 18.651 -7.597 1.00 25.00 N ATOM 0 H HIS A 134 -6.625 13.763 -10.689 1.00 25.00 H new ATOM 0 HA HIS A 134 -9.170 15.213 -10.382 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -8.304 14.725 -8.132 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -6.713 15.300 -8.591 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -10.256 17.107 -8.625 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -7.537 19.624 -6.698 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -9.925 19.347 -7.462 1.00 25.00 H new ATOM 2018 N HIS A 135 -8.216 17.248 -11.486 1.00 25.00 N ATOM 2019 CA HIS A 135 -7.676 18.320 -12.307 1.00 25.00 C ATOM 2020 C HIS A 135 -7.518 19.557 -11.455 1.00 25.00 C ATOM 2021 O HIS A 135 -8.421 19.962 -10.610 1.00 25.00 O ATOM 2022 CB HIS A 135 -8.594 18.536 -13.495 1.00 25.00 C ATOM 2023 CG HIS A 135 -8.697 17.347 -14.416 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -8.392 17.354 -15.784 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -9.146 16.049 -14.173 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -8.538 16.156 -16.278 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -8.988 15.333 -15.357 1.00 25.00 N ATOM 0 H HIS A 135 -9.221 17.306 -11.319 1.00 25.00 H new ATOM 0 HA HIS A 135 -6.690 18.066 -12.697 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -9.590 18.787 -13.130 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -8.238 19.394 -14.065 1.00 25.00 H new ATOM 0 HD1 HIS A 135 -8.099 18.175 -16.315 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -9.542 15.671 -13.242 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -8.320 15.879 -17.299 1.00 25.00 H new ATOM 2035 N ILE A 136 -6.288 20.087 -11.540 1.00 25.00 N ATOM 2036 CA ILE A 136 -6.080 21.338 -10.828 1.00 25.00 C ATOM 2037 C ILE A 136 -5.710 22.412 -11.850 1.00 25.00 C ATOM 2038 O ILE A 136 -4.776 22.214 -12.616 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.888 21.273 -9.830 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -5.087 20.053 -8.876 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -4.723 22.632 -8.991 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -3.967 19.883 -7.853 1.00 25.00 C ATOM 0 H ILE A 136 -5.491 19.704 -12.049 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.998 21.549 -10.279 1.00 25.00 H new ATOM 0 HB ILE A 136 -3.969 21.149 -10.402 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -6.034 20.167 -8.349 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -5.162 19.145 -9.474 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -3.878 22.538 -8.308 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -4.546 23.462 -9.675 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -5.632 22.819 -8.420 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -4.175 19.016 -7.226 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -3.020 19.737 -8.372 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -3.905 20.775 -7.229 1.00 25.00 H new ATOM 2054 N TYR A 137 -6.486 23.502 -11.952 1.00 25.00 N ATOM 2055 CA TYR A 137 -6.040 24.512 -12.966 1.00 25.00 C ATOM 2056 C TYR A 137 -4.989 25.403 -12.375 1.00 25.00 C ATOM 2057 O TYR A 137 -5.225 26.023 -11.345 1.00 25.00 O ATOM 2058 CB TYR A 137 -7.146 25.402 -13.459 1.00 25.00 C ATOM 2059 CG TYR A 137 -6.675 26.449 -14.483 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -6.774 27.821 -14.260 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -6.127 26.006 -15.766 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -6.197 28.736 -15.200 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -5.596 26.963 -16.686 1.00 25.00 C ATOM 2064 CZ TYR A 137 -5.632 28.346 -16.406 1.00 25.00 C ATOM 2065 OH TYR A 137 -5.062 29.242 -17.250 1.00 25.00 O ATOM 0 H TYR A 137 -7.332 23.710 -11.421 1.00 25.00 H new ATOM 0 HA TYR A 137 -5.663 23.931 -13.808 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -7.924 24.787 -13.911 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -7.598 25.913 -12.609 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -7.283 28.193 -13.383 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.124 24.956 -16.018 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -6.202 29.788 -14.956 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -5.159 26.621 -17.613 1.00 25.00 H new ATOM 0 HH TYR A 137 -4.721 28.775 -18.041 1.00 25.00 H new ATOM 2075 N ILE A 138 -3.767 25.411 -12.909 1.00 25.00 N ATOM 2076 CA ILE A 138 -2.733 26.260 -12.302 1.00 25.00 C ATOM 2077 C ILE A 138 -2.439 27.383 -13.224 1.00 25.00 C ATOM 2078 O ILE A 138 -1.682 27.272 -14.244 1.00 25.00 O ATOM 2079 CB ILE A 138 -1.402 25.517 -12.012 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -1.705 24.139 -11.319 1.00 25.00 C ATOM 2081 CG2 ILE A 138 -0.367 26.318 -11.362 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -0.533 23.393 -10.679 1.00 25.00 C ATOM 0 H ILE A 138 -3.474 24.868 -13.722 1.00 25.00 H new ATOM 0 HA ILE A 138 -3.131 26.598 -11.345 1.00 25.00 H new ATOM 0 HB ILE A 138 -0.931 25.310 -12.973 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -2.456 24.309 -10.547 1.00 25.00 H new ATOM 0 HG13 ILE A 138 -2.156 23.481 -12.062 1.00 25.00 H new ATOM 0 HG21 ILE A 138 0.521 25.706 -11.204 1.00 25.00 H new ATOM 0 HG22 ILE A 138 -0.114 27.168 -11.995 1.00 25.00 H new ATOM 0 HG23 ILE A 138 -0.735 26.678 -10.401 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -0.891 22.461 -10.241 1.00 25.00 H new ATOM 0 HD12 ILE A 138 0.216 23.172 -11.439 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -0.089 24.013 -9.901 1.00 25.00 H new ATOM 2094 N PRO A 139 -3.070 28.576 -12.979 1.00 25.00 N ATOM 2095 CA PRO A 139 -2.615 29.677 -13.882 1.00 25.00 C ATOM 2096 C PRO A 139 -1.178 30.124 -13.504 1.00 25.00 C ATOM 2097 O PRO A 139 -0.765 30.225 -12.385 1.00 25.00 O ATOM 2098 CB PRO A 139 -3.591 30.776 -13.530 1.00 25.00 C ATOM 2099 CG PRO A 139 -4.035 30.534 -12.139 1.00 25.00 C ATOM 2100 CD PRO A 139 -3.976 29.051 -11.894 1.00 25.00 C ATOM 0 HA PRO A 139 -2.592 29.405 -14.937 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -3.118 31.754 -13.619 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -4.441 30.770 -14.212 1.00 25.00 H new ATOM 0 HG2 PRO A 139 -3.394 31.064 -11.435 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -5.048 30.907 -11.990 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -3.580 28.819 -10.905 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -4.962 28.590 -11.959 1.00 25.00 H new ATOM 2108 N GLU A 140 -0.298 30.263 -14.496 1.00 25.00 N ATOM 2109 CA GLU A 140 1.077 30.573 -14.235 1.00 25.00 C ATOM 2110 C GLU A 140 1.589 31.559 -15.263 1.00 25.00 C ATOM 2111 O GLU A 140 1.886 31.134 -16.396 1.00 25.00 O ATOM 2112 CB GLU A 140 2.004 29.320 -14.125 1.00 25.00 C ATOM 2113 CG GLU A 140 3.333 29.716 -13.683 1.00 25.00 C ATOM 2114 CD GLU A 140 3.379 30.270 -12.256 1.00 25.00 C ATOM 2115 OE1 GLU A 140 3.341 31.485 -12.174 1.00 25.00 O ATOM 2116 OE2 GLU A 140 3.642 29.530 -11.258 1.00 25.00 O1- ATOM 0 H GLU A 140 -0.530 30.162 -15.484 1.00 25.00 H new ATOM 0 HA GLU A 140 1.112 31.031 -13.247 1.00 25.00 H new ATOM 0 HB2 GLU A 140 1.578 28.604 -13.423 1.00 25.00 H new ATOM 0 HB3 GLU A 140 2.068 28.820 -15.091 1.00 25.00 H new ATOM 0 HG2 GLU A 140 3.997 28.854 -13.748 1.00 25.00 H new ATOM 0 HG3 GLU A 140 3.722 30.471 -14.367 1.00 25.00 H new ATOM 2123 N ASP A 141 1.609 32.833 -14.965 1.00 25.00 N ATOM 2124 CA ASP A 141 2.183 33.858 -15.856 1.00 25.00 C ATOM 2125 C ASP A 141 3.648 34.009 -15.394 1.00 25.00 C ATOM 2126 O ASP A 141 4.465 34.649 -16.120 1.00 25.00 O ATOM 2127 CB ASP A 141 1.503 35.276 -15.782 1.00 25.00 C ATOM 2128 CG ASP A 141 1.683 35.934 -14.502 1.00 25.00 C ATOM 2129 OD1 ASP A 141 1.133 35.492 -13.501 1.00 50.00 O ATOM 2130 OD2 ASP A 141 2.271 37.017 -14.520 1.00 50.00 O1- ATOM 0 H ASP A 141 1.230 33.210 -14.096 1.00 25.00 H new ATOM 0 HA ASP A 141 2.044 33.529 -16.886 1.00 25.00 H new ATOM 0 HB2 ASP A 141 1.913 35.909 -16.569 1.00 25.00 H new ATOM 0 HB3 ASP A 141 0.437 35.170 -15.981 1.00 25.00 H new ATOM 2135 N ARG A 142 4.053 33.498 -14.260 1.00 25.00 N ATOM 2136 CA ARG A 142 5.415 33.779 -13.688 1.00 25.00 C ATOM 2137 C ARG A 142 6.352 32.599 -13.799 1.00 25.00 C ATOM 2138 O ARG A 142 6.084 31.583 -14.469 1.00 25.00 O ATOM 2139 CB ARG A 142 5.310 34.243 -12.230 1.00 25.00 C ATOM 2140 CG ARG A 142 4.541 35.576 -12.006 1.00 25.00 C ATOM 2141 CD ARG A 142 4.555 35.929 -10.515 1.00 25.00 C ATOM 2142 NE ARG A 142 4.029 37.296 -10.334 1.00 25.00 N ATOM 2143 CZ ARG A 142 3.970 37.943 -9.196 1.00 25.00 C ATOM 2144 NH1 ARG A 142 3.533 39.161 -9.127 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 4.325 37.423 -8.030 1.00 25.00 N ATOM 0 H ARG A 142 3.482 32.878 -13.686 1.00 25.00 H new ATOM 0 HA ARG A 142 5.843 34.582 -14.288 1.00 25.00 H new ATOM 0 HB2 ARG A 142 4.820 33.459 -11.652 1.00 25.00 H new ATOM 0 HB3 ARG A 142 6.317 34.353 -11.828 1.00 25.00 H new ATOM 0 HG2 ARG A 142 5.003 36.376 -12.585 1.00 25.00 H new ATOM 0 HG3 ARG A 142 3.514 35.480 -12.358 1.00 25.00 H new ATOM 0 HD2 ARG A 142 3.949 35.217 -9.955 1.00 25.00 H new ATOM 0 HD3 ARG A 142 5.570 35.862 -10.123 1.00 25.00 H new ATOM 0 HE ARG A 142 3.683 37.777 -11.164 1.00 25.00 H new ATOM 0 HH11 ARG A 142 3.224 39.641 -9.972 1.00 25.00 H new ATOM 0 HH12 ARG A 142 3.498 39.640 -8.227 1.00 25.00 H new ATOM 0 HH21 ARG A 142 4.669 36.464 -7.983 1.00 25.00 H new ATOM 0 HH22 ARG A 142 4.254 37.982 -7.180 1.00 25.00 H new ATOM 2159 N LEU A 143 7.538 32.714 -13.202 1.00 25.00 N ATOM 2160 CA LEU A 143 8.428 31.547 -13.082 1.00 25.00 C ATOM 2161 C LEU A 143 8.918 31.361 -11.655 1.00 25.00 C ATOM 2162 O LEU A 143 9.378 32.301 -11.039 1.00 25.00 O ATOM 2163 CB LEU A 143 9.613 31.819 -13.955 1.00 25.00 C ATOM 2164 CG LEU A 143 9.453 31.706 -15.498 1.00 25.00 C ATOM 2165 CD1 LEU A 143 8.911 33.033 -16.184 1.00 50.00 C ATOM 2166 CD2 LEU A 143 10.790 31.409 -16.145 1.00 50.00 C ATOM 0 H LEU A 143 7.903 33.578 -12.801 1.00 25.00 H new ATOM 0 HA LEU A 143 7.889 30.645 -13.372 1.00 25.00 H new ATOM 0 HB2 LEU A 143 9.961 32.828 -13.733 1.00 25.00 H new ATOM 0 HB3 LEU A 143 10.407 31.135 -13.655 1.00 25.00 H new ATOM 0 HG LEU A 143 8.728 30.906 -15.648 1.00 25.00 H new ATOM 0 HD11 LEU A 143 8.826 32.878 -17.260 1.00 50.00 H new ATOM 0 HD12 LEU A 143 7.932 33.281 -15.774 1.00 50.00 H new ATOM 0 HD13 LEU A 143 9.603 33.852 -15.989 1.00 50.00 H new ATOM 0 HD21 LEU A 143 10.663 31.333 -17.225 1.00 50.00 H new ATOM 0 HD22 LEU A 143 11.491 32.213 -15.918 1.00 50.00 H new ATOM 0 HD23 LEU A 143 11.180 30.468 -15.758 1.00 50.00 H new ATOM 2178 N GLY A 144 8.809 30.172 -11.098 1.00 25.00 N ATOM 2179 CA GLY A 144 9.214 29.900 -9.746 1.00 25.00 C ATOM 2180 C GLY A 144 8.496 28.771 -9.053 1.00 25.00 C ATOM 2181 O GLY A 144 7.631 28.045 -9.586 1.00 25.00 O ATOM 0 H GLY A 144 8.430 29.360 -11.585 1.00 25.00 H new ATOM 0 HA2 GLY A 144 10.281 29.679 -9.746 1.00 25.00 H new ATOM 0 HA3 GLY A 144 9.076 30.807 -9.157 1.00 25.00 H new ATOM 2185 N TYR A 145 8.838 28.486 -7.802 1.00 25.00 N ATOM 2186 CA TYR A 145 8.661 27.134 -7.228 1.00 25.00 C ATOM 2187 C TYR A 145 7.954 27.036 -5.872 1.00 25.00 C ATOM 2188 O TYR A 145 7.809 27.997 -5.093 1.00 25.00 O ATOM 2189 CB TYR A 145 10.102 26.501 -7.070 1.00 25.00 C ATOM 2190 CG TYR A 145 10.602 26.347 -5.659 1.00 25.00 C ATOM 2191 CD1 TYR A 145 11.227 27.344 -4.975 1.00 50.00 C ATOM 2192 CD2 TYR A 145 10.381 25.167 -4.949 1.00 50.00 C ATOM 2193 CE1 TYR A 145 11.663 27.165 -3.537 1.00 25.00 C ATOM 2194 CE2 TYR A 145 10.715 24.965 -3.627 1.00 25.00 C ATOM 2195 CZ TYR A 145 11.329 25.943 -2.877 1.00 25.00 C ATOM 2196 OH TYR A 145 11.703 25.737 -1.609 1.00 25.00 O ATOM 0 H TYR A 145 9.240 29.165 -7.156 1.00 25.00 H new ATOM 0 HA TYR A 145 8.000 26.612 -7.920 1.00 25.00 H new ATOM 0 HB2 TYR A 145 10.100 25.519 -7.543 1.00 25.00 H new ATOM 0 HB3 TYR A 145 10.811 27.119 -7.621 1.00 25.00 H new ATOM 0 HD1 TYR A 145 11.416 28.285 -5.470 1.00 50.00 H new ATOM 0 HD2 TYR A 145 9.912 24.349 -5.475 1.00 50.00 H new ATOM 0 HE1 TYR A 145 12.212 27.940 -3.023 1.00 25.00 H new ATOM 0 HE2 TYR A 145 10.489 24.014 -3.167 1.00 25.00 H new ATOM 0 HH TYR A 145 11.393 24.855 -1.316 1.00 25.00 H new ATOM 2206 N HIS A 146 7.423 25.849 -5.589 1.00 25.00 N ATOM 2207 CA HIS A 146 6.862 25.482 -4.283 1.00 25.00 C ATOM 2208 C HIS A 146 6.823 23.942 -4.129 1.00 25.00 C ATOM 2209 O HIS A 146 7.096 23.273 -5.095 1.00 25.00 O ATOM 2210 CB HIS A 146 5.523 26.079 -4.068 1.00 25.00 C ATOM 2211 CG HIS A 146 4.492 25.704 -5.071 1.00 25.00 C ATOM 2212 ND1 HIS A 146 3.969 26.701 -5.921 1.00 25.00 N ATOM 2213 CD2 HIS A 146 3.847 24.562 -5.328 1.00 25.00 C ATOM 2214 CE1 HIS A 146 3.073 26.097 -6.682 1.00 25.00 C ATOM 2215 NE2 HIS A 146 2.961 24.808 -6.329 1.00 25.00 N ATOM 0 H HIS A 146 7.368 25.096 -6.274 1.00 25.00 H new ATOM 0 HA HIS A 146 7.515 25.891 -3.512 1.00 25.00 H new ATOM 0 HB2 HIS A 146 5.168 25.787 -3.080 1.00 25.00 H new ATOM 0 HB3 HIS A 146 5.624 27.164 -4.063 1.00 25.00 H new ATOM 0 HD2 HIS A 146 4.002 23.616 -4.831 1.00 25.00 H new ATOM 0 HE1 HIS A 146 2.512 26.572 -7.473 1.00 25.00 H new ATOM 0 HE2 HIS A 146 2.321 24.129 -6.741 1.00 25.00 H new ATOM 2223 N VAL A 147 6.569 23.361 -2.960 1.00 25.00 N ATOM 2224 CA VAL A 147 6.574 21.888 -2.780 1.00 25.00 C ATOM 2225 C VAL A 147 5.043 21.503 -2.789 1.00 25.00 C ATOM 2226 O VAL A 147 4.260 22.182 -2.155 1.00 25.00 O ATOM 2227 CB VAL A 147 7.339 21.474 -1.572 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.510 19.920 -1.497 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.753 22.107 -1.726 1.00 50.00 C ATOM 0 H VAL A 147 6.354 23.881 -2.109 1.00 25.00 H new ATOM 0 HA VAL A 147 7.101 21.348 -3.566 1.00 25.00 H new ATOM 0 HB VAL A 147 6.814 21.795 -0.673 1.00 25.00 H new ATOM 0 HG11 VAL A 147 8.074 19.659 -0.601 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.529 19.447 -1.459 1.00 50.00 H new ATOM 0 HG13 VAL A 147 8.047 19.570 -2.379 1.00 50.00 H new ATOM 0 HG21 VAL A 147 9.367 21.839 -0.866 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.221 21.734 -2.637 1.00 50.00 H new ATOM 0 HG23 VAL A 147 8.662 23.192 -1.783 1.00 50.00 H new ATOM 2239 N ILE A 148 4.622 20.435 -3.507 1.00 25.00 N ATOM 2240 CA ILE A 148 3.230 19.864 -3.335 1.00 25.00 C ATOM 2241 C ILE A 148 3.448 18.938 -2.159 1.00 25.00 C ATOM 2242 O ILE A 148 4.447 18.204 -2.099 1.00 25.00 O ATOM 2243 CB ILE A 148 2.760 19.111 -4.649 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.895 20.007 -5.870 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.318 18.541 -4.390 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.510 19.461 -7.236 1.00 25.00 C ATOM 0 H ILE A 148 5.195 19.950 -4.197 1.00 25.00 H new ATOM 0 HA ILE A 148 2.440 20.595 -3.165 1.00 25.00 H new ATOM 0 HB ILE A 148 3.404 18.262 -4.879 1.00 25.00 H new ATOM 0 HG12 ILE A 148 2.293 20.898 -5.691 1.00 25.00 H new ATOM 0 HG13 ILE A 148 3.934 20.330 -5.927 1.00 25.00 H new ATOM 0 HG21 ILE A 148 0.969 18.017 -5.280 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.346 17.849 -3.548 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.638 19.362 -4.162 1.00 25.00 H new ATOM 0 HD11 ILE A 148 2.667 20.230 -7.993 1.00 25.00 H new ATOM 0 HD12 ILE A 148 3.126 18.592 -7.467 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.460 19.169 -7.228 1.00 25.00 H new ATOM 2258 N LEU A 149 2.558 18.959 -1.199 1.00 25.00 N ATOM 2259 CA LEU A 149 2.577 18.067 -0.066 1.00 25.00 C ATOM 2260 C LEU A 149 1.296 17.237 -0.181 1.00 25.00 C ATOM 2261 O LEU A 149 0.307 17.817 -0.594 1.00 25.00 O ATOM 2262 CB LEU A 149 2.584 18.857 1.249 1.00 25.00 C ATOM 2263 CG LEU A 149 3.525 20.062 1.320 1.00 25.00 C ATOM 2264 CD1 LEU A 149 3.372 20.769 2.664 1.00 50.00 C ATOM 2265 CD2 LEU A 149 5.007 19.814 1.133 1.00 50.00 C ATOM 0 H LEU A 149 1.778 19.616 -1.183 1.00 25.00 H new ATOM 0 HA LEU A 149 3.470 17.442 -0.062 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.569 19.205 1.442 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.845 18.173 2.056 1.00 25.00 H new ATOM 0 HG LEU A 149 3.206 20.652 0.461 1.00 25.00 H new ATOM 0 HD11 LEU A 149 4.046 21.625 2.704 1.00 50.00 H new ATOM 0 HD12 LEU A 149 2.344 21.111 2.780 1.00 50.00 H new ATOM 0 HD13 LEU A 149 3.617 20.077 3.469 1.00 50.00 H new ATOM 0 HD21 LEU A 149 5.546 20.758 1.209 1.00 50.00 H new ATOM 0 HD22 LEU A 149 5.362 19.130 1.904 1.00 50.00 H new ATOM 0 HD23 LEU A 149 5.181 19.375 0.151 1.00 50.00 H new ATOM 2277 N ALA A 150 1.326 15.913 0.009 1.00 25.00 N ATOM 2278 CA ALA A 150 0.182 15.114 -0.200 1.00 25.00 C ATOM 2279 C ALA A 150 0.099 14.537 1.179 1.00 25.00 C ATOM 2280 O ALA A 150 1.128 14.104 1.732 1.00 25.00 O ATOM 2281 CB ALA A 150 0.387 14.073 -1.246 1.00 25.00 C ATOM 0 H ALA A 150 2.153 15.398 0.310 1.00 25.00 H new ATOM 0 HA ALA A 150 -0.706 15.629 -0.565 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -0.526 13.490 -1.363 1.00 25.00 H new ATOM 0 HB2 ALA A 150 0.635 14.553 -2.193 1.00 25.00 H new ATOM 0 HB3 ALA A 150 1.203 13.414 -0.949 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.106 14.498 1.682 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.430 13.865 2.908 1.00 25.00 C ATOM 2289 C VAL A 151 -2.554 12.862 2.653 1.00 25.00 C ATOM 2290 O VAL A 151 -3.614 13.265 2.248 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.783 14.939 4.074 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -2.043 14.199 5.306 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.580 15.907 4.220 1.00 50.00 C ATOM 0 H VAL A 151 -1.910 14.926 1.223 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.562 13.324 3.284 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.668 15.529 3.835 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -2.283 14.898 6.107 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -2.882 13.521 5.153 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -1.158 13.625 5.579 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -0.794 16.639 4.999 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.312 15.341 4.489 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.411 16.422 3.275 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.393 11.584 2.909 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.438 10.579 2.580 1.00 25.00 C ATOM 2305 C TRP A 152 -3.770 9.816 3.854 1.00 25.00 C ATOM 2306 O TRP A 152 -2.936 9.239 4.537 1.00 25.00 O ATOM 2307 CB TRP A 152 -2.882 9.664 1.519 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.809 9.205 0.416 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.861 8.352 0.557 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -3.720 9.486 -0.963 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -5.433 8.082 -0.637 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -4.743 8.737 -1.592 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -2.880 10.243 -1.777 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -4.947 8.810 -2.969 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -3.127 10.329 -3.218 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -4.070 9.512 -3.794 1.00 25.00 C ATOM 0 H TRP A 152 -1.557 11.193 3.343 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.350 11.041 2.201 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -2.035 10.169 1.054 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.490 8.777 2.016 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -5.195 7.945 1.500 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -6.246 7.486 -0.789 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -2.042 10.769 -1.343 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -5.801 8.313 -3.405 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -2.572 11.030 -3.824 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -4.131 9.416 -4.868 1.00 25.00 H new ATOM 2327 N ASP A 153 -5.041 9.860 4.239 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.427 9.272 5.457 1.00 25.00 C ATOM 2329 C ASP A 153 -6.120 7.919 5.203 1.00 25.00 C ATOM 2330 O ASP A 153 -6.960 7.817 4.305 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.393 10.165 6.175 1.00 25.00 C ATOM 2332 CG ASP A 153 -5.721 11.348 6.877 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -4.569 11.261 7.400 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -6.414 12.414 6.943 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.795 10.299 3.711 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.531 9.123 6.060 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -7.125 10.544 5.462 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -6.940 9.578 6.912 1.00 25.00 H new ATOM 2339 N VAL A 154 -5.714 6.917 6.000 1.00 25.00 N ATOM 2340 CA VAL A 154 -6.122 5.559 5.802 1.00 25.00 C ATOM 2341 C VAL A 154 -6.585 5.053 7.177 1.00 25.00 C ATOM 2342 O VAL A 154 -5.722 4.978 8.095 1.00 25.00 O ATOM 2343 CB VAL A 154 -4.878 4.671 5.376 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -5.298 3.265 5.132 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -4.268 5.266 4.068 1.00 50.00 C ATOM 0 H VAL A 154 -5.091 7.050 6.797 1.00 25.00 H new ATOM 0 HA VAL A 154 -6.893 5.499 5.034 1.00 25.00 H new ATOM 0 HB VAL A 154 -4.140 4.676 6.178 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -4.431 2.672 4.841 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -5.732 2.852 6.043 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -6.039 3.240 4.333 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -3.411 4.667 3.761 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -5.019 5.256 3.279 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -3.947 6.292 4.250 1.00 50.00 H new ATOM 2355 N ALA A 155 -7.897 5.033 7.447 1.00 25.00 N ATOM 2356 CA ALA A 155 -8.290 4.827 8.848 1.00 25.00 C ATOM 2357 C ALA A 155 -7.896 3.464 9.384 1.00 25.00 C ATOM 2358 O ALA A 155 -7.784 3.217 10.591 1.00 25.00 O ATOM 2359 CB ALA A 155 -9.838 4.975 8.967 1.00 25.00 C ATOM 0 H ALA A 155 -8.654 5.147 6.773 1.00 25.00 H new ATOM 0 HA ALA A 155 -7.764 5.577 9.439 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -10.139 4.824 10.004 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -10.134 5.973 8.645 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -10.324 4.231 8.336 1.00 25.00 H new ATOM 2365 N ASP A 156 -7.684 2.532 8.433 1.00 25.00 N ATOM 2366 CA ASP A 156 -7.483 1.122 8.792 1.00 25.00 C ATOM 2367 C ASP A 156 -6.089 0.828 9.274 1.00 25.00 C ATOM 2368 O ASP A 156 -5.873 -0.222 9.843 1.00 25.00 O ATOM 2369 CB ASP A 156 -7.793 0.217 7.615 1.00 25.00 C ATOM 2370 CG ASP A 156 -9.125 0.516 7.115 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -10.111 -0.088 7.661 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -9.311 1.315 6.218 1.00 25.00 O1- ATOM 0 H ASP A 156 -7.649 2.728 7.433 1.00 25.00 H new ATOM 0 HA ASP A 156 -8.171 0.925 9.614 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -7.055 0.362 6.826 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -7.733 -0.828 7.919 1.00 25.00 H new ATOM 2377 N THR A 157 -5.112 1.683 9.038 1.00 25.00 N ATOM 2378 CA THR A 157 -3.716 1.374 9.313 1.00 25.00 C ATOM 2379 C THR A 157 -3.230 2.206 10.503 1.00 25.00 C ATOM 2380 O THR A 157 -3.920 3.166 10.908 1.00 25.00 O ATOM 2381 CB THR A 157 -2.857 1.658 8.120 1.00 25.00 C ATOM 2382 OG1 THR A 157 -3.168 2.998 7.681 1.00 25.00 O ATOM 2383 CG2 THR A 157 -3.243 0.651 6.995 1.00 25.00 C ATOM 0 H THR A 157 -5.261 2.614 8.649 1.00 25.00 H new ATOM 0 HA THR A 157 -3.640 0.312 9.547 1.00 25.00 H new ATOM 0 HB THR A 157 -1.797 1.564 8.354 1.00 25.00 H new ATOM 0 HG1 THR A 157 -2.465 3.612 7.981 1.00 25.00 H new ATOM 0 HG21 THR A 157 -2.630 0.838 6.113 1.00 25.00 H new ATOM 0 HG22 THR A 157 -3.075 -0.367 7.345 1.00 25.00 H new ATOM 0 HG23 THR A 157 -4.295 0.777 6.739 1.00 25.00 H new ATOM 2391 N GLU A 158 -2.111 1.838 11.077 1.00 25.00 N ATOM 2392 CA GLU A 158 -1.626 2.598 12.258 1.00 25.00 C ATOM 2393 C GLU A 158 -0.897 3.852 11.816 1.00 25.00 C ATOM 2394 O GLU A 158 -0.935 4.963 12.460 1.00 25.00 O ATOM 2395 CB GLU A 158 -0.629 1.743 13.073 1.00 25.00 C ATOM 2396 CG GLU A 158 -0.291 2.355 14.460 1.00 25.00 C ATOM 2397 CD GLU A 158 0.690 1.472 15.255 1.00 25.00 C ATOM 2398 OE1 GLU A 158 1.571 0.804 14.692 1.00 25.00 O ATOM 2399 OE2 GLU A 158 0.705 1.560 16.497 1.00 25.00 O1- ATOM 0 H GLU A 158 -1.525 1.057 10.782 1.00 25.00 H new ATOM 0 HA GLU A 158 -2.494 2.856 12.865 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -1.046 0.746 13.215 1.00 25.00 H new ATOM 0 HB3 GLU A 158 0.291 1.625 12.501 1.00 25.00 H new ATOM 0 HG2 GLU A 158 0.142 3.346 14.324 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -1.209 2.484 15.033 1.00 25.00 H new ATOM 2406 N ASN A 159 -0.196 3.663 10.725 1.00 25.00 N ATOM 2407 CA ASN A 159 0.537 4.689 10.087 1.00 25.00 C ATOM 2408 C ASN A 159 -0.389 5.384 9.060 1.00 25.00 C ATOM 2409 O ASN A 159 -1.254 4.729 8.481 1.00 25.00 O ATOM 2410 CB ASN A 159 1.772 4.085 9.388 1.00 25.00 C ATOM 2411 CG ASN A 159 2.717 3.423 10.333 1.00 25.00 C ATOM 2412 OD1 ASN A 159 2.971 3.949 11.355 1.00 25.00 O ATOM 2413 ND2 ASN A 159 3.206 2.262 9.915 1.00 25.00 N ATOM 0 H ASN A 159 -0.128 2.760 10.256 1.00 25.00 H new ATOM 0 HA ASN A 159 0.884 5.422 10.816 1.00 25.00 H new ATOM 0 HB2 ASN A 159 1.442 3.358 8.646 1.00 25.00 H new ATOM 0 HB3 ASN A 159 2.299 4.873 8.850 1.00 25.00 H new ATOM 0 HD21 ASN A 159 3.863 1.745 10.499 1.00 25.00 H new ATOM 0 HD22 ASN A 159 2.924 1.886 9.010 1.00 25.00 H new ATOM 2420 N ALA A 160 -0.105 6.618 8.758 1.00 25.00 N ATOM 2421 CA ALA A 160 -0.709 7.378 7.640 1.00 25.00 C ATOM 2422 C ALA A 160 0.308 7.650 6.539 1.00 25.00 C ATOM 2423 O ALA A 160 1.548 7.826 6.795 1.00 25.00 O ATOM 2424 CB ALA A 160 -1.259 8.692 8.256 1.00 25.00 C ATOM 0 H ALA A 160 0.575 7.165 9.287 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.509 6.810 7.164 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -1.718 9.296 7.474 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -2.004 8.454 9.015 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -0.441 9.250 8.712 1.00 25.00 H new ATOM 2430 N PHE A 161 -0.143 7.907 5.336 1.00 25.00 N ATOM 2431 CA PHE A 161 0.665 7.898 4.119 1.00 25.00 C ATOM 2432 C PHE A 161 0.823 9.330 3.616 1.00 25.00 C ATOM 2433 O PHE A 161 -0.148 10.139 3.730 1.00 25.00 O ATOM 2434 CB PHE A 161 0.010 7.027 3.035 1.00 25.00 C ATOM 2435 CG PHE A 161 0.660 7.214 1.673 1.00 25.00 C ATOM 2436 CD1 PHE A 161 -0.153 7.513 0.581 1.00 50.00 C ATOM 2437 CD2 PHE A 161 2.056 7.005 1.565 1.00 50.00 C ATOM 2438 CE1 PHE A 161 0.467 7.660 -0.703 1.00 25.00 C ATOM 2439 CE2 PHE A 161 2.669 7.142 0.307 1.00 25.00 C ATOM 2440 CZ PHE A 161 1.853 7.456 -0.830 1.00 25.00 C ATOM 0 H PHE A 161 -1.121 8.139 5.160 1.00 25.00 H new ATOM 0 HA PHE A 161 1.644 7.475 4.345 1.00 25.00 H new ATOM 0 HB2 PHE A 161 0.076 5.979 3.326 1.00 25.00 H new ATOM 0 HB3 PHE A 161 -1.050 7.273 2.966 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -1.220 7.631 0.699 1.00 50.00 H new ATOM 0 HD2 PHE A 161 2.641 6.745 2.435 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -0.125 7.925 -1.566 1.00 25.00 H new ATOM 0 HE2 PHE A 161 3.736 7.013 0.199 1.00 25.00 H new ATOM 0 HZ PHE A 161 2.312 7.538 -1.804 1.00 25.00 H new ATOM 2450 N TYR A 162 1.986 9.673 3.088 1.00 25.00 N ATOM 2451 CA TYR A 162 2.241 11.013 2.530 1.00 25.00 C ATOM 2452 C TYR A 162 3.278 10.976 1.420 1.00 25.00 C ATOM 2453 O TYR A 162 4.088 10.100 1.301 1.00 25.00 O ATOM 2454 CB TYR A 162 2.694 12.004 3.569 1.00 25.00 C ATOM 2455 CG TYR A 162 4.031 11.793 4.179 1.00 25.00 C ATOM 2456 CD1 TYR A 162 4.252 10.851 5.177 1.00 50.00 C ATOM 2457 CD2 TYR A 162 5.099 12.666 3.879 1.00 50.00 C ATOM 2458 CE1 TYR A 162 5.592 10.720 5.725 1.00 25.00 C ATOM 2459 CE2 TYR A 162 6.437 12.466 4.330 1.00 25.00 C ATOM 2460 CZ TYR A 162 6.653 11.497 5.240 1.00 25.00 C ATOM 2461 OH TYR A 162 7.964 11.295 5.643 1.00 25.00 O ATOM 0 H TYR A 162 2.785 9.041 3.029 1.00 25.00 H new ATOM 0 HA TYR A 162 1.281 11.339 2.129 1.00 25.00 H new ATOM 0 HB2 TYR A 162 2.683 12.995 3.116 1.00 25.00 H new ATOM 0 HB3 TYR A 162 1.956 12.012 4.371 1.00 25.00 H new ATOM 0 HD1 TYR A 162 3.445 10.230 5.538 1.00 50.00 H new ATOM 0 HD2 TYR A 162 4.891 13.535 3.273 1.00 50.00 H new ATOM 0 HE1 TYR A 162 5.773 10.012 6.520 1.00 25.00 H new ATOM 0 HE2 TYR A 162 7.249 13.071 3.955 1.00 25.00 H new ATOM 0 HH TYR A 162 8.548 11.938 5.189 1.00 25.00 H new ATOM 2471 N GLN A 163 3.304 12.071 0.605 1.00 25.00 N ATOM 2472 CA GLN A 163 4.387 12.326 -0.292 1.00 25.00 C ATOM 2473 C GLN A 163 4.694 13.806 -0.247 1.00 25.00 C ATOM 2474 O GLN A 163 3.822 14.598 0.026 1.00 25.00 O ATOM 2475 CB GLN A 163 4.020 11.985 -1.733 1.00 25.00 C ATOM 2476 CG GLN A 163 3.710 10.553 -2.039 1.00 25.00 C ATOM 2477 CD GLN A 163 5.008 9.710 -2.169 1.00 25.00 C ATOM 2478 OE1 GLN A 163 5.648 9.623 -3.221 1.00 25.00 O ATOM 2479 NE2 GLN A 163 5.399 9.126 -1.112 1.00 25.00 N ATOM 0 H GLN A 163 2.565 12.774 0.578 1.00 25.00 H new ATOM 0 HA GLN A 163 5.234 11.712 0.014 1.00 25.00 H new ATOM 0 HB2 GLN A 163 3.154 12.585 -2.012 1.00 25.00 H new ATOM 0 HB3 GLN A 163 4.844 12.297 -2.374 1.00 25.00 H new ATOM 0 HG2 GLN A 163 3.082 10.138 -1.251 1.00 25.00 H new ATOM 0 HG3 GLN A 163 3.140 10.492 -2.966 1.00 25.00 H new ATOM 0 HE21 GLN A 163 4.856 9.210 -0.252 1.00 25.00 H new ATOM 0 HE22 GLN A 163 6.256 8.573 -1.122 1.00 25.00 H new ATOM 2488 N VAL A 164 5.890 14.236 -0.615 1.00 25.00 N ATOM 2489 CA VAL A 164 6.225 15.600 -0.912 1.00 25.00 C ATOM 2490 C VAL A 164 6.979 15.660 -2.252 1.00 25.00 C ATOM 2491 O VAL A 164 7.894 14.822 -2.460 1.00 25.00 O ATOM 2492 CB VAL A 164 7.006 16.375 0.190 1.00 25.00 C ATOM 2493 CG1 VAL A 164 6.257 16.346 1.533 1.00 75.00 C ATOM 2494 CG2 VAL A 164 8.365 15.730 0.514 1.00 75.00 C ATOM 0 H VAL A 164 6.685 13.605 -0.717 1.00 25.00 H new ATOM 0 HA VAL A 164 5.269 16.121 -0.967 1.00 25.00 H new ATOM 0 HB VAL A 164 7.119 17.381 -0.214 1.00 25.00 H new ATOM 0 HG11 VAL A 164 6.829 16.896 2.281 1.00 75.00 H new ATOM 0 HG12 VAL A 164 5.277 16.808 1.413 1.00 75.00 H new ATOM 0 HG13 VAL A 164 6.133 15.313 1.858 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.868 16.310 1.288 1.00 75.00 H new ATOM 0 HG22 VAL A 164 8.209 14.711 0.868 1.00 75.00 H new ATOM 0 HG23 VAL A 164 8.982 15.712 -0.384 1.00 75.00 H new ATOM 2504 N ILE A 165 6.615 16.559 -3.143 1.00 25.00 N ATOM 2505 CA ILE A 165 7.103 16.571 -4.525 1.00 25.00 C ATOM 2506 C ILE A 165 7.407 18.031 -4.749 1.00 25.00 C ATOM 2507 O ILE A 165 6.519 18.914 -4.671 1.00 25.00 O ATOM 2508 CB ILE A 165 6.020 16.083 -5.536 1.00 25.00 C ATOM 2509 CG1 ILE A 165 5.754 14.550 -5.392 1.00 25.00 C ATOM 2510 CG2 ILE A 165 6.430 16.326 -6.957 1.00 25.00 C ATOM 2511 CD1 ILE A 165 4.494 14.095 -6.185 1.00 25.00 C ATOM 0 H ILE A 165 5.964 17.316 -2.934 1.00 25.00 H new ATOM 0 HA ILE A 165 7.953 15.905 -4.675 1.00 25.00 H new ATOM 0 HB ILE A 165 5.121 16.653 -5.302 1.00 25.00 H new ATOM 0 HG12 ILE A 165 6.624 13.997 -5.747 1.00 25.00 H new ATOM 0 HG13 ILE A 165 5.627 14.302 -4.338 1.00 25.00 H new ATOM 0 HG21 ILE A 165 5.647 15.971 -7.627 1.00 25.00 H new ATOM 0 HG22 ILE A 165 6.585 17.393 -7.113 1.00 25.00 H new ATOM 0 HG23 ILE A 165 7.356 15.790 -7.165 1.00 25.00 H new ATOM 0 HD11 ILE A 165 4.350 13.022 -6.055 1.00 25.00 H new ATOM 0 HD12 ILE A 165 3.618 14.627 -5.813 1.00 25.00 H new ATOM 0 HD13 ILE A 165 4.631 14.317 -7.243 1.00 25.00 H new ATOM 2523 N ASP A 166 8.618 18.306 -5.033 1.00 25.00 N ATOM 2524 CA ASP A 166 9.021 19.689 -5.347 1.00 25.00 C ATOM 2525 C ASP A 166 8.735 20.044 -6.894 1.00 25.00 C ATOM 2526 O ASP A 166 8.834 19.189 -7.834 1.00 25.00 O ATOM 2527 CB ASP A 166 10.525 19.709 -5.031 1.00 25.00 C ATOM 2528 CG ASP A 166 11.078 21.067 -4.947 1.00 25.00 C ATOM 2529 OD1 ASP A 166 12.131 21.122 -4.248 1.00 25.00 O ATOM 2530 OD2 ASP A 166 10.626 22.024 -5.607 1.00 25.00 O1- ATOM 0 H ASP A 166 9.373 17.621 -5.065 1.00 25.00 H new ATOM 0 HA ASP A 166 8.464 20.433 -4.777 1.00 25.00 H new ATOM 0 HB2 ASP A 166 10.699 19.193 -4.086 1.00 25.00 H new ATOM 0 HB3 ASP A 166 11.059 19.152 -5.801 1.00 25.00 H new ATOM 2535 N VAL A 167 8.131 21.216 -7.123 1.00 25.00 N ATOM 2536 CA VAL A 167 7.732 21.649 -8.445 1.00 25.00 C ATOM 2537 C VAL A 167 8.242 23.030 -8.752 1.00 25.00 C ATOM 2538 O VAL A 167 8.138 23.933 -7.948 1.00 25.00 O ATOM 2539 CB VAL A 167 6.210 21.566 -8.751 1.00 25.00 C ATOM 2540 CG1 VAL A 167 5.798 20.082 -8.774 1.00 50.00 C ATOM 2541 CG2 VAL A 167 5.295 22.253 -7.804 1.00 50.00 C ATOM 0 H VAL A 167 7.909 21.885 -6.386 1.00 25.00 H new ATOM 0 HA VAL A 167 8.201 20.920 -9.106 1.00 25.00 H new ATOM 0 HB VAL A 167 6.099 22.086 -9.703 1.00 25.00 H new ATOM 0 HG11 VAL A 167 4.732 20.004 -8.987 1.00 50.00 H new ATOM 0 HG12 VAL A 167 6.362 19.560 -9.547 1.00 50.00 H new ATOM 0 HG13 VAL A 167 6.008 19.631 -7.804 1.00 50.00 H new ATOM 0 HG21 VAL A 167 4.264 22.118 -8.132 1.00 50.00 H new ATOM 0 HG22 VAL A 167 5.417 21.829 -6.807 1.00 50.00 H new ATOM 0 HG23 VAL A 167 5.531 23.317 -7.777 1.00 50.00 H new ATOM 2551 N ASP A 168 8.596 23.251 -9.975 1.00 25.00 N ATOM 2552 CA ASP A 168 8.831 24.634 -10.418 1.00 25.00 C ATOM 2553 C ASP A 168 7.801 24.753 -11.519 1.00 25.00 C ATOM 2554 O ASP A 168 7.637 23.782 -12.297 1.00 25.00 O ATOM 2555 CB ASP A 168 10.252 24.797 -10.986 1.00 25.00 C ATOM 2556 CG ASP A 168 10.665 26.312 -10.959 1.00 25.00 C ATOM 2557 OD1 ASP A 168 11.551 26.605 -10.168 1.00 25.00 O ATOM 2558 OD2 ASP A 168 10.226 27.126 -11.732 1.00 25.00 O1- ATOM 0 H ASP A 168 8.732 22.532 -10.686 1.00 25.00 H new ATOM 0 HA ASP A 168 8.749 25.382 -9.630 1.00 25.00 H new ATOM 0 HB2 ASP A 168 10.958 24.208 -10.400 1.00 25.00 H new ATOM 0 HB3 ASP A 168 10.291 24.418 -12.007 1.00 25.00 H new ATOM 2563 N LEU A 169 7.078 25.862 -11.541 1.00 25.00 N ATOM 2564 CA LEU A 169 6.004 26.018 -12.452 1.00 25.00 C ATOM 2565 C LEU A 169 6.283 27.267 -13.143 1.00 25.00 C ATOM 2566 O LEU A 169 6.639 28.295 -12.442 1.00 25.00 O ATOM 2567 CB LEU A 169 4.668 26.057 -11.691 1.00 25.00 C ATOM 2568 CG LEU A 169 4.233 24.627 -11.259 1.00 25.00 C ATOM 2569 CD1 LEU A 169 3.377 24.723 -10.035 1.00 50.00 C ATOM 2570 CD2 LEU A 169 3.453 23.974 -12.370 1.00 50.00 C ATOM 0 H LEU A 169 7.233 26.660 -10.926 1.00 25.00 H new ATOM 0 HA LEU A 169 5.917 25.193 -13.159 1.00 25.00 H new ATOM 0 HB2 LEU A 169 4.764 26.693 -10.811 1.00 25.00 H new ATOM 0 HB3 LEU A 169 3.898 26.500 -12.322 1.00 25.00 H new ATOM 0 HG LEU A 169 5.117 24.027 -11.044 1.00 25.00 H new ATOM 0 HD11 LEU A 169 3.069 23.724 -9.727 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.944 25.192 -9.231 1.00 50.00 H new ATOM 0 HD13 LEU A 169 2.494 25.323 -10.255 1.00 50.00 H new ATOM 0 HD21 LEU A 169 3.151 22.973 -12.063 1.00 50.00 H new ATOM 0 HD22 LEU A 169 2.567 24.569 -12.591 1.00 50.00 H new ATOM 0 HD23 LEU A 169 4.076 23.907 -13.262 1.00 50.00 H new ATOM 2582 N VAL A 170 6.255 27.281 -14.462 1.00 25.00 N ATOM 2583 CA VAL A 170 6.649 28.425 -15.301 1.00 25.00 C ATOM 2584 C VAL A 170 5.637 28.857 -16.339 1.00 25.00 C ATOM 2585 O VAL A 170 4.657 28.116 -16.687 1.00 25.00 O ATOM 2586 CB VAL A 170 8.010 28.107 -15.955 1.00 25.00 C ATOM 2587 CG1 VAL A 170 9.128 27.993 -14.867 1.00 50.00 C ATOM 2588 CG2 VAL A 170 7.963 26.820 -16.851 1.00 50.00 C ATOM 0 H VAL A 170 5.949 26.476 -15.009 1.00 25.00 H new ATOM 0 HA VAL A 170 6.716 29.285 -14.635 1.00 25.00 H new ATOM 0 HB VAL A 170 8.249 28.938 -16.618 1.00 25.00 H new ATOM 0 HG11 VAL A 170 10.081 27.768 -15.346 1.00 50.00 H new ATOM 0 HG12 VAL A 170 9.207 28.936 -14.326 1.00 50.00 H new ATOM 0 HG13 VAL A 170 8.876 27.195 -14.169 1.00 50.00 H new ATOM 0 HG21 VAL A 170 8.947 26.643 -17.286 1.00 50.00 H new ATOM 0 HG22 VAL A 170 7.676 25.963 -16.242 1.00 50.00 H new ATOM 0 HG23 VAL A 170 7.233 26.958 -17.649 1.00 50.00 H new ATOM 2598 N ASN A 171 5.814 30.075 -16.879 1.00 25.00 N ATOM 2599 CA ASN A 171 4.920 30.605 -17.911 1.00 25.00 C ATOM 2600 C ASN A 171 5.112 29.873 -19.265 1.00 25.00 C ATOM 2601 O ASN A 171 6.251 29.625 -19.660 1.00 25.00 O ATOM 2602 CB ASN A 171 5.254 32.118 -18.137 1.00 25.00 C ATOM 2603 CG ASN A 171 4.326 32.781 -19.097 1.00 25.00 C ATOM 2604 OD1 ASN A 171 3.231 32.389 -19.273 1.00 25.00 O ATOM 2605 ND2 ASN A 171 4.832 33.757 -19.751 1.00 25.00 N ATOM 0 H ASN A 171 6.569 30.707 -16.615 1.00 25.00 H new ATOM 0 HA ASN A 171 3.894 30.462 -17.572 1.00 25.00 H new ATOM 0 HB2 ASN A 171 5.214 32.640 -17.181 1.00 25.00 H new ATOM 0 HB3 ASN A 171 6.276 32.208 -18.506 1.00 25.00 H new ATOM 0 HD21 ASN A 171 4.280 34.234 -20.464 1.00 25.00 H new ATOM 0 HD22 ASN A 171 5.788 34.058 -19.560 1.00 25.00 H new ATOM 2612 N LYS A 172 4.038 29.502 -19.910 1.00 25.00 N ATOM 2613 CA LYS A 172 4.088 28.689 -21.122 1.00 25.00 C ATOM 2614 C LYS A 172 4.426 29.513 -22.382 1.00 25.00 C ATOM 2615 O LYS A 172 5.024 28.934 -23.308 1.00 25.00 O ATOM 2616 CB LYS A 172 2.756 27.940 -21.327 1.00 25.00 C ATOM 2617 CG LYS A 172 1.500 28.745 -21.508 1.00 25.00 C ATOM 2618 CD LYS A 172 0.231 27.909 -21.378 1.00 25.00 C ATOM 2619 CE LYS A 172 0.124 26.774 -22.410 1.00 25.00 C ATOM 2620 NZ LYS A 172 -0.242 27.046 -23.800 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 4.064 30.718 -22.432 1.00 25.00 O1- ATOM 0 H LYS A 172 3.093 29.751 -19.617 1.00 25.00 H new ATOM 0 HA LYS A 172 4.895 27.970 -20.980 1.00 25.00 H new ATOM 0 HB2 LYS A 172 2.868 27.299 -22.202 1.00 25.00 H new ATOM 0 HB3 LYS A 172 2.609 27.285 -20.468 1.00 25.00 H new ATOM 0 HG2 LYS A 172 1.478 29.545 -20.768 1.00 25.00 H new ATOM 0 HG3 LYS A 172 1.517 29.219 -22.490 1.00 25.00 H new ATOM 0 HD2 LYS A 172 0.191 27.481 -20.376 1.00 25.00 H new ATOM 0 HD3 LYS A 172 -0.635 28.563 -21.480 1.00 25.00 H new ATOM 0 HE2 LYS A 172 1.089 26.268 -22.428 1.00 25.00 H new ATOM 0 HE3 LYS A 172 -0.603 26.060 -22.023 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 -0.260 26.154 -24.335 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 -1.183 27.488 -23.831 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 0.457 27.690 -24.223 1.00 25.00 H new