USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=30 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 180:sc= 0 USER MOD Set 1.2: A 135 HIS : no HD1:sc=-0.00591 X(o=-0.0059,f=0.16) USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0.491 USER MOD Set 2.2: A 133 SER OG : rot 71:sc= 0.546 USER MOD Set 3.1: A 123 HIS : no HD1:sc= -0.133 X(o=-0.18,f=-0.57) USER MOD Set 3.2: A 126 SER OG : rot 180:sc= -0.0507 USER MOD Set 4.1: A 94 GLN : amide:sc= -0.351 X(o=-0.46,f=-0.03) USER MOD Set 4.2: A 96 HIS : no HE2:sc= -0.076 X(o=-0.46,f=-0.58) USER MOD Set 4.3: A 98 TYR OH : rot 180:sc= -0.0298 USER MOD Set 5.1: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 76 THR OG1 : rot 86:sc= 0.0795 USER MOD Set 5.3: A 80 HIS : no HD1:sc= 0.747 K(o=0.83,f=-4.1!) USER MOD Set 6.1: A 66 SER OG : rot 140:sc= 0.346 USER MOD Set 6.2: A 68 ASN : amide:sc= -0.189 X(o=0.16,f=0.097) USER MOD Set 7.1: A 1 HIS N :NH3+ -147:sc=-0.00902 (180deg=-0.142) USER MOD Set 7.2: A 90 HIS : no HE2:sc=-0.00746 K(o=-0.016,f=-1) USER MOD Single : A 1 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.48) 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 -173:sc= 0 (180deg=-0.0703) 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) USER MOD Single : A 34 SER OG : rot -48:sc= 0.197 USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= 0.96 (180deg=0.651) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.07) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.3!) USER MOD Single : A 92 THR OG1 : rot -179:sc= 0.0519 USER MOD Single : A 93 SER OG : rot 174:sc= 0.614 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 77:sc= 0.0295 USER MOD Single : A 101 LYS NZ :NH3+ -179:sc= 0.715 (180deg=0.713) USER MOD Single : A 102 LYS NZ :NH3+ -170:sc= 0.4 (180deg=0.243) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 131 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.6!) USER MOD Single : A 134 HIS : no HD1:sc= 0.093 K(o=0.093,f=-1.1) 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 HE2:sc= 0.431 K(o=0.43,f=-1.9!) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 159 ASN : amide:sc= 0.623 K(o=0.62,f=-4.2!) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0.0371 X(o=0.037,f=-0.28) USER MOD Single : A 171 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.9!) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -2.693 3.409 -3.673 1.00 25.00 N ATOM 2 CA HIS A 1 -2.288 4.456 -4.749 1.00 25.00 C ATOM 3 C HIS A 1 -1.468 3.746 -5.808 1.00 25.00 C ATOM 4 O HIS A 1 -1.575 3.997 -7.026 1.00 25.00 O ATOM 5 CB HIS A 1 -1.538 5.622 -4.080 1.00 0.00 C ATOM 6 CG HIS A 1 -0.106 5.319 -3.760 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.212 4.700 -2.587 1.00 0.00 N ATOM 8 CD2 HIS A 1 1.068 5.499 -4.462 1.00 0.00 C ATOM 9 CE1 HIS A 1 1.548 4.660 -2.549 1.00 0.00 C ATOM 10 NE2 HIS A 1 2.127 5.131 -3.659 1.00 0.00 N ATOM 0 H1 HIS A 1 -3.628 3.652 -3.287 1.00 25.00 H new ATOM 0 H2 HIS A 1 -2.732 2.464 -4.106 1.00 25.00 H new ATOM 0 H3 HIS A 1 -1.991 3.410 -2.906 1.00 25.00 H new ATOM 0 HA HIS A 1 -3.160 4.893 -5.235 1.00 25.00 H new ATOM 0 HB2 HIS A 1 -1.577 6.491 -4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -2.056 5.894 -3.160 1.00 0.00 H new ATOM 0 HD2 HIS A 1 1.145 5.868 -5.474 1.00 0.00 H new ATOM 0 HE1 HIS A 1 2.106 4.284 -1.704 1.00 0.00 H new ATOM 0 HE2 HIS A 1 3.124 5.202 -3.864 1.00 0.00 H new ATOM 17 N GLY A 2 -0.631 2.829 -5.358 1.00 25.00 N ATOM 18 CA GLY A 2 0.017 1.965 -6.281 1.00 25.00 C ATOM 19 C GLY A 2 1.134 2.672 -7.014 1.00 25.00 C ATOM 20 O GLY A 2 1.961 3.438 -6.435 1.00 25.00 O ATOM 0 H GLY A 2 -0.398 2.678 -4.377 1.00 25.00 H new ATOM 0 HA2 GLY A 2 0.418 1.101 -5.752 1.00 25.00 H new ATOM 0 HA3 GLY A 2 -0.710 1.589 -7.000 1.00 25.00 H new ATOM 24 N PHE A 3 1.032 2.710 -8.355 1.00 25.00 N ATOM 25 CA PHE A 3 2.037 3.336 -9.176 1.00 25.00 C ATOM 26 C PHE A 3 1.528 4.705 -9.498 1.00 25.00 C ATOM 27 O PHE A 3 0.295 4.914 -9.704 1.00 25.00 O ATOM 28 CB PHE A 3 2.302 2.533 -10.494 1.00 25.00 C ATOM 29 CG PHE A 3 2.731 1.066 -10.237 1.00 25.00 C ATOM 30 CD1 PHE A 3 4.025 0.759 -9.978 1.00 50.00 C ATOM 31 CD2 PHE A 3 1.827 0.006 -10.460 1.00 50.00 C ATOM 32 CE1 PHE A 3 4.441 -0.607 -9.839 1.00 25.00 C ATOM 33 CE2 PHE A 3 2.230 -1.342 -10.383 1.00 25.00 C ATOM 34 CZ PHE A 3 3.497 -1.673 -10.072 1.00 25.00 C ATOM 0 H PHE A 3 0.254 2.308 -8.877 1.00 25.00 H new ATOM 0 HA PHE A 3 2.987 3.371 -8.643 1.00 25.00 H new ATOM 0 HB2 PHE A 3 1.399 2.539 -11.104 1.00 25.00 H new ATOM 0 HB3 PHE A 3 3.079 3.037 -11.069 1.00 25.00 H new ATOM 0 HD1 PHE A 3 4.751 1.551 -9.875 1.00 50.00 H new ATOM 0 HD2 PHE A 3 0.798 0.234 -10.696 1.00 50.00 H new ATOM 0 HE1 PHE A 3 5.459 -0.837 -9.560 1.00 25.00 H new ATOM 0 HE2 PHE A 3 1.510 -2.123 -10.577 1.00 25.00 H new ATOM 0 HZ PHE A 3 3.799 -2.707 -9.999 1.00 25.00 H new ATOM 44 N ILE A 4 2.434 5.679 -9.571 1.00 25.00 N ATOM 45 CA ILE A 4 2.066 6.994 -10.045 1.00 25.00 C ATOM 46 C ILE A 4 2.216 6.922 -11.580 1.00 25.00 C ATOM 47 O ILE A 4 3.305 6.554 -12.060 1.00 25.00 O ATOM 48 CB ILE A 4 2.963 8.144 -9.416 1.00 25.00 C ATOM 49 CG1 ILE A 4 2.789 8.206 -7.905 1.00 25.00 C ATOM 50 CG2 ILE A 4 2.699 9.533 -10.171 1.00 25.00 C ATOM 51 CD1 ILE A 4 3.572 9.386 -7.199 1.00 25.00 C ATOM 0 H ILE A 4 3.414 5.576 -9.309 1.00 25.00 H new ATOM 0 HA ILE A 4 1.050 7.252 -9.745 1.00 25.00 H new ATOM 0 HB ILE A 4 4.017 7.915 -9.573 1.00 25.00 H new ATOM 0 HG12 ILE A 4 1.727 8.305 -7.679 1.00 25.00 H new ATOM 0 HG13 ILE A 4 3.119 7.260 -7.475 1.00 25.00 H new ATOM 0 HG21 ILE A 4 3.321 10.311 -9.729 1.00 25.00 H new ATOM 0 HG22 ILE A 4 2.948 9.426 -11.227 1.00 25.00 H new ATOM 0 HG23 ILE A 4 1.649 9.807 -10.071 1.00 25.00 H new ATOM 0 HD11 ILE A 4 3.390 9.352 -6.125 1.00 25.00 H new ATOM 0 HD12 ILE A 4 4.640 9.279 -7.389 1.00 25.00 H new ATOM 0 HD13 ILE A 4 3.226 10.341 -7.596 1.00 25.00 H new ATOM 63 N GLU A 5 1.160 7.278 -12.290 1.00 25.00 N ATOM 64 CA GLU A 5 1.194 6.994 -13.701 1.00 25.00 C ATOM 65 C GLU A 5 1.367 8.266 -14.490 1.00 25.00 C ATOM 66 O GLU A 5 2.030 8.278 -15.538 1.00 25.00 O ATOM 67 CB GLU A 5 -0.117 6.351 -14.151 1.00 25.00 C ATOM 68 CG GLU A 5 -0.155 5.987 -15.701 1.00 25.00 C ATOM 69 CD GLU A 5 -1.504 5.328 -16.065 1.00 25.00 C ATOM 70 OE1 GLU A 5 -2.459 5.812 -15.454 1.00 25.00 O ATOM 71 OE2 GLU A 5 -1.669 4.649 -17.083 1.00 25.00 O1- ATOM 0 H GLU A 5 0.320 7.736 -11.936 1.00 25.00 H new ATOM 0 HA GLU A 5 2.030 6.317 -13.878 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -0.284 5.444 -13.570 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -0.940 7.030 -13.926 1.00 25.00 H new ATOM 0 HG2 GLU A 5 -0.011 6.888 -16.297 1.00 25.00 H new ATOM 0 HG3 GLU A 5 0.665 5.310 -15.943 1.00 25.00 H new ATOM 78 N LYS A 6 0.780 9.373 -14.032 1.00 25.00 N ATOM 79 CA LYS A 6 0.881 10.694 -14.656 1.00 25.00 C ATOM 80 C LYS A 6 1.025 11.684 -13.475 1.00 25.00 C ATOM 81 O LYS A 6 0.378 11.435 -12.428 1.00 25.00 O ATOM 82 CB LYS A 6 -0.314 11.080 -15.441 1.00 25.00 C ATOM 83 CG LYS A 6 -0.668 10.316 -16.747 1.00 25.00 C ATOM 84 CD LYS A 6 0.347 10.234 -17.752 1.00 25.00 C ATOM 85 CE LYS A 6 0.004 9.185 -18.855 1.00 25.00 C ATOM 86 NZ LYS A 6 1.140 9.187 -19.902 1.00 25.00 N1+ ATOM 0 H LYS A 6 0.203 9.375 -13.191 1.00 25.00 H new ATOM 0 HA LYS A 6 1.715 10.696 -15.358 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -1.176 11.004 -14.778 1.00 25.00 H new ATOM 0 HB3 LYS A 6 -0.204 12.133 -15.701 1.00 25.00 H new ATOM 0 HG2 LYS A 6 -0.958 9.301 -16.476 1.00 25.00 H new ATOM 0 HG3 LYS A 6 -1.544 10.791 -17.189 1.00 25.00 H new ATOM 0 HD2 LYS A 6 0.479 11.213 -18.213 1.00 25.00 H new ATOM 0 HD3 LYS A 6 1.296 9.971 -17.286 1.00 25.00 H new ATOM 0 HE2 LYS A 6 -0.104 8.194 -18.415 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -0.947 9.429 -19.328 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 0.928 8.492 -20.646 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 1.221 10.134 -20.325 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 2.038 8.936 -19.441 1.00 25.00 H new ATOM 100 N PRO A 7 1.747 12.820 -13.664 1.00 25.00 N ATOM 101 CA PRO A 7 2.435 13.375 -14.821 1.00 25.00 C ATOM 102 C PRO A 7 3.708 12.620 -15.215 1.00 25.00 C ATOM 103 O PRO A 7 4.594 12.335 -14.396 1.00 25.00 O ATOM 104 CB PRO A 7 2.911 14.753 -14.353 1.00 25.00 C ATOM 105 CG PRO A 7 2.919 14.711 -12.872 1.00 25.00 C ATOM 106 CD PRO A 7 1.799 13.770 -12.528 1.00 25.00 C ATOM 0 HA PRO A 7 1.757 13.349 -15.674 1.00 25.00 H new ATOM 0 HB2 PRO A 7 3.906 14.973 -14.741 1.00 25.00 H new ATOM 0 HB3 PRO A 7 2.247 15.537 -14.716 1.00 25.00 H new ATOM 0 HG2 PRO A 7 3.874 14.352 -12.488 1.00 25.00 H new ATOM 0 HG3 PRO A 7 2.755 15.700 -12.444 1.00 25.00 H new ATOM 0 HD2 PRO A 7 1.990 13.253 -11.587 1.00 25.00 H new ATOM 0 HD3 PRO A 7 0.855 14.303 -12.413 1.00 25.00 H new ATOM 114 N GLY A 8 3.833 12.344 -16.517 1.00 25.00 N ATOM 115 CA GLY A 8 5.059 11.740 -17.049 1.00 25.00 C ATOM 116 C GLY A 8 5.382 10.319 -16.509 1.00 25.00 C ATOM 117 O GLY A 8 4.476 9.609 -16.009 1.00 25.00 O ATOM 0 H GLY A 8 3.111 12.526 -17.214 1.00 25.00 H new ATOM 0 HA2 GLY A 8 4.979 11.690 -18.135 1.00 25.00 H new ATOM 0 HA3 GLY A 8 5.898 12.398 -16.821 1.00 25.00 H new ATOM 121 N SER A 9 6.644 10.058 -16.334 1.00 25.00 N ATOM 122 CA SER A 9 7.077 8.777 -15.917 1.00 25.00 C ATOM 123 C SER A 9 8.073 9.036 -14.820 1.00 25.00 C ATOM 124 O SER A 9 9.149 9.542 -15.067 1.00 25.00 O ATOM 125 CB SER A 9 7.716 7.855 -16.978 1.00 25.00 C ATOM 126 OG SER A 9 8.227 6.634 -16.457 1.00 25.00 O ATOM 0 H SER A 9 7.394 10.734 -16.479 1.00 25.00 H new ATOM 0 HA SER A 9 6.186 8.221 -15.625 1.00 25.00 H new ATOM 0 HB2 SER A 9 6.972 7.628 -17.742 1.00 25.00 H new ATOM 0 HB3 SER A 9 8.525 8.394 -17.471 1.00 25.00 H new ATOM 0 HG SER A 9 8.613 6.104 -17.185 1.00 25.00 H new ATOM 132 N ARG A 10 7.755 8.838 -13.530 1.00 25.00 N ATOM 133 CA ARG A 10 8.677 9.116 -12.476 1.00 25.00 C ATOM 134 C ARG A 10 9.800 8.126 -12.521 1.00 25.00 C ATOM 135 O ARG A 10 10.896 8.431 -12.018 1.00 25.00 O ATOM 136 CB ARG A 10 8.041 9.249 -11.127 1.00 25.00 C ATOM 137 CG ARG A 10 7.502 8.004 -10.437 1.00 25.00 C ATOM 138 CD ARG A 10 6.937 8.395 -9.071 1.00 25.00 C ATOM 139 NE ARG A 10 6.568 7.261 -8.178 1.00 25.00 N ATOM 140 CZ ARG A 10 6.491 7.268 -6.866 1.00 25.00 C ATOM 141 NH1 ARG A 10 6.671 8.287 -6.095 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 6.193 6.147 -6.303 1.00 25.00 N ATOM 0 H ARG A 10 6.852 8.483 -13.215 1.00 25.00 H new ATOM 0 HA ARG A 10 9.092 10.109 -12.648 1.00 25.00 H new ATOM 0 HB2 ARG A 10 8.775 9.702 -10.461 1.00 25.00 H new ATOM 0 HB3 ARG A 10 7.217 9.956 -11.221 1.00 25.00 H new ATOM 0 HG2 ARG A 10 6.726 7.542 -11.047 1.00 25.00 H new ATOM 0 HG3 ARG A 10 8.296 7.266 -10.319 1.00 25.00 H new ATOM 0 HD2 ARG A 10 7.673 9.014 -8.557 1.00 25.00 H new ATOM 0 HD3 ARG A 10 6.053 9.014 -9.227 1.00 25.00 H new ATOM 0 HE ARG A 10 6.350 6.377 -8.638 1.00 25.00 H new ATOM 0 HH11 ARG A 10 6.897 9.197 -6.497 1.00 25.00 H new ATOM 0 HH12 ARG A 10 6.587 8.183 -5.084 1.00 25.00 H new ATOM 0 HH21 ARG A 10 6.032 5.317 -6.873 1.00 25.00 H new ATOM 0 HH22 ARG A 10 6.119 6.090 -5.287 1.00 25.00 H new ATOM 156 N ALA A 11 9.621 7.005 -13.199 1.00 25.00 N ATOM 157 CA ALA A 11 10.754 6.050 -13.435 1.00 25.00 C ATOM 158 C ALA A 11 11.814 6.665 -14.360 1.00 25.00 C ATOM 159 O ALA A 11 12.988 6.372 -14.120 1.00 25.00 O ATOM 160 CB ALA A 11 10.253 4.769 -13.969 1.00 25.00 C ATOM 0 H ALA A 11 8.729 6.714 -13.600 1.00 25.00 H new ATOM 0 HA ALA A 11 11.234 5.850 -12.477 1.00 25.00 H new ATOM 0 HB1 ALA A 11 11.090 4.091 -14.133 1.00 25.00 H new ATOM 0 HB2 ALA A 11 9.560 4.324 -13.255 1.00 25.00 H new ATOM 0 HB3 ALA A 11 9.738 4.945 -14.914 1.00 25.00 H new ATOM 166 N ALA A 12 11.466 7.545 -15.282 1.00 25.00 N ATOM 167 CA ALA A 12 12.513 8.108 -16.170 1.00 25.00 C ATOM 168 C ALA A 12 13.325 9.085 -15.332 1.00 25.00 C ATOM 169 O ALA A 12 14.490 9.270 -15.542 1.00 25.00 O ATOM 170 CB ALA A 12 11.836 8.842 -17.316 1.00 25.00 C ATOM 0 H ALA A 12 10.518 7.884 -15.446 1.00 25.00 H new ATOM 0 HA ALA A 12 13.157 7.331 -16.582 1.00 25.00 H new ATOM 0 HB1 ALA A 12 12.594 9.262 -17.978 1.00 25.00 H new ATOM 0 HB2 ALA A 12 11.211 8.146 -17.875 1.00 25.00 H new ATOM 0 HB3 ALA A 12 11.217 9.646 -16.918 1.00 25.00 H new ATOM 176 N LEU A 13 12.702 9.739 -14.356 1.00 25.00 N ATOM 177 CA LEU A 13 13.440 10.739 -13.544 1.00 25.00 C ATOM 178 C LEU A 13 14.361 10.082 -12.544 1.00 25.00 C ATOM 179 O LEU A 13 15.399 10.633 -12.118 1.00 25.00 O ATOM 180 CB LEU A 13 12.435 11.743 -12.852 1.00 25.00 C ATOM 181 CG LEU A 13 11.968 12.926 -13.727 1.00 25.00 C ATOM 182 CD1 LEU A 13 11.238 12.568 -14.960 1.00 75.00 C ATOM 183 CD2 LEU A 13 11.004 13.767 -12.866 1.00 75.00 C ATOM 0 H LEU A 13 11.722 9.612 -14.103 1.00 25.00 H new ATOM 0 HA LEU A 13 14.076 11.314 -14.217 1.00 25.00 H new ATOM 0 HB2 LEU A 13 11.557 11.185 -12.528 1.00 25.00 H new ATOM 0 HB3 LEU A 13 12.908 12.142 -11.955 1.00 25.00 H new ATOM 0 HG LEU A 13 12.874 13.440 -14.049 1.00 25.00 H new ATOM 0 HD11 LEU A 13 10.959 13.476 -15.494 1.00 75.00 H new ATOM 0 HD12 LEU A 13 11.876 11.954 -15.596 1.00 75.00 H new ATOM 0 HD13 LEU A 13 10.339 12.009 -14.701 1.00 75.00 H new ATOM 0 HD21 LEU A 13 10.647 14.618 -13.446 1.00 75.00 H new ATOM 0 HD22 LEU A 13 10.156 13.152 -12.563 1.00 75.00 H new ATOM 0 HD23 LEU A 13 11.527 14.126 -11.979 1.00 75.00 H new ATOM 398 N MET A 29 12.909 5.279 -3.832 1.00 25.00 N ATOM 399 CA MET A 29 12.843 3.908 -4.414 1.00 25.00 C ATOM 400 C MET A 29 13.004 2.763 -3.404 1.00 25.00 C ATOM 401 O MET A 29 12.933 1.639 -3.838 1.00 25.00 O ATOM 402 CB MET A 29 13.752 3.825 -5.614 1.00 25.00 C ATOM 403 CG MET A 29 15.214 3.885 -5.253 1.00 25.00 C ATOM 404 SD MET A 29 16.324 4.112 -6.648 1.00 25.00 S ATOM 405 CE MET A 29 16.131 2.469 -7.414 1.00 25.00 C ATOM 0 HA MET A 29 11.821 3.747 -4.757 1.00 25.00 H new ATOM 0 HB2 MET A 29 13.554 2.896 -6.149 1.00 25.00 H new ATOM 0 HB3 MET A 29 13.518 4.642 -6.297 1.00 25.00 H new ATOM 0 HG2 MET A 29 15.367 4.702 -4.548 1.00 25.00 H new ATOM 0 HG3 MET A 29 15.485 2.964 -4.737 1.00 25.00 H new ATOM 0 HE1 MET A 29 16.841 2.365 -8.235 1.00 25.00 H new ATOM 0 HE2 MET A 29 16.321 1.696 -6.669 1.00 25.00 H new ATOM 0 HE3 MET A 29 15.116 2.363 -7.796 1.00 25.00 H new ATOM 415 N TYR A 30 13.332 3.109 -2.159 1.00 25.00 N ATOM 416 CA TYR A 30 13.294 2.165 -1.098 1.00 25.00 C ATOM 417 C TYR A 30 11.936 1.570 -0.915 1.00 25.00 C ATOM 418 O TYR A 30 11.801 0.380 -0.796 1.00 25.00 O ATOM 419 CB TYR A 30 13.587 2.812 0.262 1.00 25.00 C ATOM 420 CG TYR A 30 13.603 1.918 1.426 1.00 25.00 C ATOM 421 CD1 TYR A 30 14.550 0.886 1.591 1.00 50.00 C ATOM 422 CD2 TYR A 30 12.589 2.089 2.418 1.00 50.00 C ATOM 423 CE1 TYR A 30 14.459 0.058 2.683 1.00 25.00 C ATOM 424 CE2 TYR A 30 12.482 1.247 3.534 1.00 25.00 C ATOM 425 CZ TYR A 30 13.392 0.197 3.609 1.00 25.00 C ATOM 426 OH TYR A 30 13.265 -0.589 4.706 1.00 25.00 O ATOM 0 H TYR A 30 13.625 4.046 -1.883 1.00 25.00 H new ATOM 0 HA TYR A 30 14.040 1.423 -1.381 1.00 25.00 H new ATOM 0 HB2 TYR A 30 14.555 3.309 0.201 1.00 25.00 H new ATOM 0 HB3 TYR A 30 12.841 3.587 0.438 1.00 25.00 H new ATOM 0 HD1 TYR A 30 15.339 0.748 0.866 1.00 50.00 H new ATOM 0 HD2 TYR A 30 11.880 2.895 2.304 1.00 50.00 H new ATOM 0 HE1 TYR A 30 15.206 -0.706 2.839 1.00 25.00 H new ATOM 0 HE2 TYR A 30 11.733 1.405 4.295 1.00 25.00 H new ATOM 0 HH TYR A 30 12.465 -0.325 5.207 1.00 25.00 H new ATOM 436 N GLU A 31 10.900 2.426 -0.892 1.00 25.00 N ATOM 437 CA GLU A 31 9.512 1.976 -0.695 1.00 25.00 C ATOM 438 C GLU A 31 8.500 2.772 -1.475 1.00 25.00 C ATOM 439 O GLU A 31 7.680 3.497 -0.904 1.00 25.00 O ATOM 440 CB GLU A 31 9.165 2.028 0.785 1.00 25.00 C ATOM 441 CG GLU A 31 9.468 0.767 1.527 1.00 25.00 C ATOM 442 CD GLU A 31 9.021 0.858 2.939 1.00 25.00 C ATOM 443 OE1 GLU A 31 9.302 1.995 3.492 1.00 25.00 O ATOM 444 OE2 GLU A 31 8.399 -0.044 3.551 1.00 25.00 O1- ATOM 0 H GLU A 31 10.998 3.435 -1.008 1.00 25.00 H new ATOM 0 HA GLU A 31 9.462 0.955 -1.073 1.00 25.00 H new ATOM 0 HB2 GLU A 31 9.713 2.849 1.247 1.00 25.00 H new ATOM 0 HB3 GLU A 31 8.104 2.253 0.891 1.00 25.00 H new ATOM 0 HG2 GLU A 31 8.974 -0.073 1.039 1.00 25.00 H new ATOM 0 HG3 GLU A 31 10.540 0.570 1.493 1.00 25.00 H new ATOM 451 N PRO A 32 8.563 2.723 -2.800 1.00 25.00 N ATOM 452 CA PRO A 32 7.795 3.681 -3.574 1.00 25.00 C ATOM 453 C PRO A 32 6.247 3.542 -3.564 1.00 25.00 C ATOM 454 O PRO A 32 5.532 4.523 -3.836 1.00 25.00 O ATOM 455 CB PRO A 32 8.325 3.488 -4.946 1.00 25.00 C ATOM 456 CG PRO A 32 8.718 2.153 -5.039 1.00 25.00 C ATOM 457 CD PRO A 32 9.276 1.802 -3.707 1.00 25.00 C ATOM 0 HA PRO A 32 7.919 4.673 -3.140 1.00 25.00 H new ATOM 0 HB2 PRO A 32 7.564 3.720 -5.691 1.00 25.00 H new ATOM 0 HB3 PRO A 32 9.168 4.154 -5.133 1.00 25.00 H new ATOM 0 HG2 PRO A 32 7.872 1.513 -5.290 1.00 25.00 H new ATOM 0 HG3 PRO A 32 9.463 2.018 -5.823 1.00 25.00 H new ATOM 0 HD2 PRO A 32 9.089 0.759 -3.453 1.00 25.00 H new ATOM 0 HD3 PRO A 32 10.355 1.951 -3.669 1.00 25.00 H new ATOM 465 N GLN A 33 5.771 2.345 -3.200 1.00 25.00 N ATOM 466 CA GLN A 33 4.321 2.146 -2.962 1.00 25.00 C ATOM 467 C GLN A 33 3.856 2.158 -1.482 1.00 25.00 C ATOM 468 O GLN A 33 2.661 2.008 -1.182 1.00 25.00 O ATOM 469 CB GLN A 33 3.867 0.839 -3.686 1.00 25.00 C ATOM 470 CG GLN A 33 3.837 -0.426 -2.839 1.00 25.00 C ATOM 471 CD GLN A 33 3.582 -1.629 -3.731 1.00 25.00 C ATOM 472 OE1 GLN A 33 4.446 -2.268 -4.279 1.00 25.00 O ATOM 473 NE2 GLN A 33 2.406 -1.866 -3.955 1.00 25.00 N ATOM 0 H GLN A 33 6.346 1.513 -3.064 1.00 25.00 H new ATOM 0 HA GLN A 33 3.831 3.026 -3.379 1.00 25.00 H new ATOM 0 HB2 GLN A 33 2.869 1.002 -4.093 1.00 25.00 H new ATOM 0 HB3 GLN A 33 4.532 0.668 -4.533 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.783 -0.545 -2.312 1.00 25.00 H new ATOM 0 HG3 GLN A 33 3.057 -0.350 -2.081 1.00 25.00 H new ATOM 0 HE21 GLN A 33 1.679 -1.323 -3.489 1.00 25.00 H new ATOM 0 HE22 GLN A 33 2.150 -2.607 -4.608 1.00 25.00 H new ATOM 482 N SER A 34 4.751 2.470 -0.573 1.00 25.00 N ATOM 483 CA SER A 34 4.477 2.717 0.856 1.00 25.00 C ATOM 484 C SER A 34 5.248 3.953 1.397 1.00 25.00 C ATOM 485 O SER A 34 5.738 3.937 2.505 1.00 25.00 O ATOM 486 CB SER A 34 4.894 1.477 1.679 1.00 25.00 C ATOM 487 OG SER A 34 4.197 1.363 2.852 1.00 25.00 O ATOM 0 H SER A 34 5.740 2.567 -0.803 1.00 25.00 H new ATOM 0 HA SER A 34 3.409 2.913 0.954 1.00 25.00 H new ATOM 0 HB2 SER A 34 4.739 0.580 1.080 1.00 25.00 H new ATOM 0 HB3 SER A 34 5.960 1.533 1.899 1.00 25.00 H new ATOM 0 HG SER A 34 4.200 2.224 3.319 1.00 25.00 H new ATOM 493 N LEU A 35 5.340 4.963 0.592 1.00 25.00 N ATOM 494 CA LEU A 35 5.961 6.233 0.991 1.00 25.00 C ATOM 495 C LEU A 35 5.020 7.049 1.856 1.00 25.00 C ATOM 496 O LEU A 35 4.062 7.598 1.357 1.00 25.00 O ATOM 497 CB LEU A 35 6.439 7.004 -0.225 1.00 25.00 C ATOM 498 CG LEU A 35 7.612 8.034 -0.045 1.00 25.00 C ATOM 499 CD1 LEU A 35 8.985 7.452 0.298 1.00 50.00 C ATOM 500 CD2 LEU A 35 7.714 8.676 -1.378 1.00 50.00 C ATOM 0 H LEU A 35 4.993 4.953 -0.367 1.00 25.00 H new ATOM 0 HA LEU A 35 6.840 6.014 1.598 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.747 6.278 -0.978 1.00 25.00 H new ATOM 0 HB3 LEU A 35 5.584 7.543 -0.633 1.00 25.00 H new ATOM 0 HG LEU A 35 7.377 8.680 0.801 1.00 25.00 H new ATOM 0 HD11 LEU A 35 9.709 8.261 0.396 1.00 50.00 H new ATOM 0 HD12 LEU A 35 8.923 6.904 1.238 1.00 50.00 H new ATOM 0 HD13 LEU A 35 9.302 6.776 -0.496 1.00 50.00 H new ATOM 0 HD21 LEU A 35 8.511 9.420 -1.364 1.00 50.00 H new ATOM 0 HD22 LEU A 35 7.937 7.919 -2.130 1.00 50.00 H new ATOM 0 HD23 LEU A 35 6.769 9.161 -1.621 1.00 50.00 H new ATOM 512 N GLU A 36 5.255 6.965 3.170 1.00 25.00 N ATOM 513 CA GLU A 36 4.236 7.293 4.160 1.00 25.00 C ATOM 514 C GLU A 36 4.895 8.215 5.197 1.00 25.00 C ATOM 515 O GLU A 36 6.083 8.066 5.495 1.00 25.00 O ATOM 516 CB GLU A 36 3.662 6.033 4.804 1.00 25.00 C ATOM 517 CG GLU A 36 2.797 5.003 4.005 1.00 25.00 C ATOM 518 CD GLU A 36 2.525 3.785 4.874 1.00 25.00 C ATOM 519 OE1 GLU A 36 3.459 3.065 5.159 1.00 25.00 O ATOM 520 OE2 GLU A 36 1.348 3.520 5.242 1.00 25.00 O1- ATOM 0 H GLU A 36 6.147 6.671 3.569 1.00 25.00 H new ATOM 0 HA GLU A 36 3.392 7.798 3.691 1.00 25.00 H new ATOM 0 HB2 GLU A 36 4.507 5.480 5.215 1.00 25.00 H new ATOM 0 HB3 GLU A 36 3.056 6.362 5.648 1.00 25.00 H new ATOM 0 HG2 GLU A 36 1.857 5.462 3.699 1.00 25.00 H new ATOM 0 HG3 GLU A 36 3.317 4.704 3.095 1.00 25.00 H new ATOM 527 N ALA A 37 4.103 9.124 5.735 1.00 25.00 N ATOM 528 CA ALA A 37 4.605 10.045 6.757 1.00 25.00 C ATOM 529 C ALA A 37 3.529 10.510 7.855 1.00 25.00 C ATOM 530 O ALA A 37 3.378 11.697 8.091 1.00 25.00 O ATOM 531 CB ALA A 37 5.135 11.252 5.977 1.00 25.00 C ATOM 0 H ALA A 37 3.121 9.250 5.490 1.00 25.00 H new ATOM 0 HA ALA A 37 5.363 9.535 7.352 1.00 25.00 H new ATOM 0 HB1 ALA A 37 5.530 11.991 6.674 1.00 25.00 H new ATOM 0 HB2 ALA A 37 5.928 10.929 5.302 1.00 25.00 H new ATOM 0 HB3 ALA A 37 4.325 11.696 5.399 1.00 25.00 H new ATOM 537 N LYS A 38 2.832 9.503 8.453 1.00 25.00 N ATOM 538 CA LYS A 38 1.873 9.780 9.564 1.00 25.00 C ATOM 539 C LYS A 38 2.155 8.727 10.639 1.00 25.00 C ATOM 540 O LYS A 38 3.251 8.229 10.647 1.00 25.00 O ATOM 541 CB LYS A 38 0.410 9.828 9.025 1.00 25.00 C ATOM 542 CG LYS A 38 -0.466 10.712 9.877 1.00 25.00 C ATOM 543 CD LYS A 38 -1.956 10.680 9.286 1.00 25.00 C ATOM 544 CE LYS A 38 -2.979 11.257 10.258 1.00 25.00 C ATOM 545 NZ LYS A 38 -4.255 11.489 9.565 1.00 25.00 N1+ ATOM 0 H LYS A 38 2.911 8.519 8.195 1.00 25.00 H new ATOM 0 HA LYS A 38 2.003 10.763 10.016 1.00 25.00 H new ATOM 0 HB2 LYS A 38 0.411 10.196 7.999 1.00 25.00 H new ATOM 0 HB3 LYS A 38 -0.003 8.820 9.001 1.00 25.00 H new ATOM 0 HG2 LYS A 38 -0.462 10.365 10.910 1.00 25.00 H new ATOM 0 HG3 LYS A 38 -0.083 11.732 9.881 1.00 25.00 H new ATOM 0 HD2 LYS A 38 -1.986 11.244 8.354 1.00 25.00 H new ATOM 0 HD3 LYS A 38 -2.227 9.652 9.046 1.00 25.00 H new ATOM 0 HE2 LYS A 38 -3.128 10.571 11.092 1.00 25.00 H new ATOM 0 HE3 LYS A 38 -2.608 12.192 10.677 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 -5.030 11.501 10.259 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 -4.220 12.403 9.069 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 -4.419 10.728 8.876 1.00 25.00 H new ATOM 559 N LYS A 39 1.222 8.549 11.557 1.00 25.00 N ATOM 560 CA LYS A 39 1.412 7.792 12.764 1.00 25.00 C ATOM 561 C LYS A 39 1.562 6.330 12.455 1.00 25.00 C ATOM 562 O LYS A 39 1.119 5.870 11.395 1.00 25.00 O ATOM 563 CB LYS A 39 0.210 7.961 13.732 1.00 25.00 C ATOM 564 CG LYS A 39 0.081 9.327 14.497 1.00 25.00 C ATOM 565 CD LYS A 39 -1.306 9.359 15.294 1.00 25.00 C ATOM 566 CE LYS A 39 -1.605 10.663 15.939 1.00 25.00 C ATOM 567 NZ LYS A 39 -2.904 10.605 16.681 1.00 25.00 N1+ ATOM 0 H LYS A 39 0.285 8.943 11.473 1.00 25.00 H new ATOM 0 HA LYS A 39 2.317 8.171 13.238 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -0.706 7.808 13.161 1.00 25.00 H new ATOM 0 HB3 LYS A 39 0.261 7.164 14.474 1.00 25.00 H new ATOM 0 HG2 LYS A 39 0.914 9.449 15.189 1.00 25.00 H new ATOM 0 HG3 LYS A 39 0.128 10.157 13.792 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -2.114 9.113 14.605 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -1.291 8.582 16.059 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -0.801 10.927 16.626 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -1.648 11.446 15.182 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -3.092 11.527 17.124 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -3.672 10.375 16.019 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -2.851 9.872 17.417 1.00 25.00 H new ATOM 781 N LEU A 57 10.812 22.334 9.202 1.00 25.00 N ATOM 782 CA LEU A 57 10.289 23.033 8.016 1.00 25.00 C ATOM 783 C LEU A 57 11.227 24.189 7.580 1.00 25.00 C ATOM 784 O LEU A 57 11.458 24.490 6.410 1.00 25.00 O ATOM 785 CB LEU A 57 8.940 23.655 8.387 1.00 25.00 C ATOM 786 CG LEU A 57 7.929 22.721 8.998 1.00 25.00 C ATOM 787 CD1 LEU A 57 6.718 23.495 9.506 1.00 50.00 C ATOM 788 CD2 LEU A 57 7.562 21.604 8.027 1.00 50.00 C ATOM 0 HA LEU A 57 10.205 22.314 7.201 1.00 25.00 H new ATOM 0 HB2 LEU A 57 9.119 24.472 9.085 1.00 25.00 H new ATOM 0 HB3 LEU A 57 8.505 24.093 7.489 1.00 25.00 H new ATOM 0 HG LEU A 57 8.375 22.237 9.867 1.00 25.00 H new ATOM 0 HD11 LEU A 57 6.000 22.801 9.943 1.00 50.00 H new ATOM 0 HD12 LEU A 57 7.036 24.213 10.262 1.00 50.00 H new ATOM 0 HD13 LEU A 57 6.251 24.025 8.676 1.00 50.00 H new ATOM 0 HD21 LEU A 57 6.831 20.943 8.492 1.00 50.00 H new ATOM 0 HD22 LEU A 57 7.137 22.035 7.121 1.00 50.00 H new ATOM 0 HD23 LEU A 57 8.456 21.034 7.773 1.00 50.00 H new ATOM 800 N PHE A 58 12.028 24.586 8.538 1.00 25.00 N ATOM 801 CA PHE A 58 13.318 25.260 8.259 1.00 25.00 C ATOM 802 C PHE A 58 14.200 24.182 7.703 1.00 25.00 C ATOM 803 O PHE A 58 14.879 24.338 6.683 1.00 25.00 O ATOM 804 CB PHE A 58 13.867 26.024 9.404 1.00 25.00 C ATOM 805 CG PHE A 58 13.102 27.294 9.749 1.00 25.00 C ATOM 806 CD1 PHE A 58 12.377 27.361 10.996 1.00 50.00 C ATOM 807 CD2 PHE A 58 13.059 28.370 8.840 1.00 50.00 C ATOM 808 CE1 PHE A 58 11.627 28.477 11.262 1.00 25.00 C ATOM 809 CE2 PHE A 58 12.134 29.491 9.079 1.00 25.00 C ATOM 810 CZ PHE A 58 11.490 29.561 10.315 1.00 25.00 C ATOM 0 H PHE A 58 11.827 24.463 9.530 1.00 25.00 H new ATOM 0 HA PHE A 58 13.210 26.067 7.535 1.00 25.00 H new ATOM 0 HB2 PHE A 58 13.883 25.377 10.281 1.00 25.00 H new ATOM 0 HB3 PHE A 58 14.901 26.288 9.184 1.00 25.00 H new ATOM 0 HD1 PHE A 58 12.425 26.548 11.705 1.00 50.00 H new ATOM 0 HD2 PHE A 58 13.701 28.373 7.972 1.00 50.00 H new ATOM 0 HE1 PHE A 58 11.120 28.549 12.213 1.00 25.00 H new ATOM 0 HE2 PHE A 58 11.959 30.238 8.319 1.00 25.00 H new ATOM 0 HZ PHE A 58 10.890 30.424 10.564 1.00 25.00 H new ATOM 820 N GLY A 59 14.145 22.987 8.252 1.00 25.00 N ATOM 821 CA GLY A 59 14.745 21.814 7.627 1.00 25.00 C ATOM 822 C GLY A 59 14.242 21.517 6.247 1.00 25.00 C ATOM 823 O GLY A 59 14.913 20.937 5.398 1.00 25.00 O ATOM 0 H GLY A 59 13.685 22.795 9.142 1.00 25.00 H new ATOM 0 HA2 GLY A 59 15.825 21.954 7.584 1.00 25.00 H new ATOM 0 HA3 GLY A 59 14.561 20.947 8.261 1.00 25.00 H new ATOM 827 N GLY A 60 13.036 22.011 5.947 1.00 25.00 N ATOM 828 CA GLY A 60 12.483 21.799 4.629 1.00 25.00 C ATOM 829 C GLY A 60 13.185 22.614 3.540 1.00 25.00 C ATOM 830 O GLY A 60 13.065 22.457 2.333 1.00 25.00 O ATOM 0 H GLY A 60 12.447 22.544 6.587 1.00 25.00 H new ATOM 0 HA2 GLY A 60 12.550 20.740 4.380 1.00 25.00 H new ATOM 0 HA3 GLY A 60 11.424 22.057 4.641 1.00 25.00 H new ATOM 834 N ILE A 61 13.969 23.585 3.957 1.00 25.00 N ATOM 835 CA ILE A 61 14.719 24.471 3.046 1.00 25.00 C ATOM 836 C ILE A 61 16.009 23.687 2.678 1.00 25.00 C ATOM 837 O ILE A 61 16.493 23.706 1.569 1.00 25.00 O ATOM 838 CB ILE A 61 15.076 25.842 3.639 1.00 25.00 C ATOM 839 CG1 ILE A 61 13.758 26.473 4.191 1.00 25.00 C ATOM 840 CG2 ILE A 61 15.679 26.793 2.503 1.00 25.00 C ATOM 841 CD1 ILE A 61 14.029 27.712 5.124 1.00 25.00 C ATOM 0 H ILE A 61 14.116 23.796 4.944 1.00 25.00 H new ATOM 0 HA ILE A 61 14.096 24.710 2.184 1.00 25.00 H new ATOM 0 HB ILE A 61 15.819 25.730 4.429 1.00 25.00 H new ATOM 0 HG12 ILE A 61 13.129 26.781 3.356 1.00 25.00 H new ATOM 0 HG13 ILE A 61 13.202 25.718 4.747 1.00 25.00 H new ATOM 0 HG21 ILE A 61 15.929 27.762 2.935 1.00 25.00 H new ATOM 0 HG22 ILE A 61 16.578 26.338 2.088 1.00 25.00 H new ATOM 0 HG23 ILE A 61 14.942 26.927 1.712 1.00 25.00 H new ATOM 0 HD11 ILE A 61 13.080 28.113 5.481 1.00 25.00 H new ATOM 0 HD12 ILE A 61 14.635 27.401 5.975 1.00 25.00 H new ATOM 0 HD13 ILE A 61 14.560 28.481 4.563 1.00 25.00 H new ATOM 853 N LEU A 62 16.444 22.920 3.674 1.00 25.00 N ATOM 854 CA LEU A 62 17.678 22.135 3.582 1.00 25.00 C ATOM 855 C LEU A 62 17.537 20.917 2.700 1.00 25.00 C ATOM 856 O LEU A 62 18.482 20.341 2.188 1.00 25.00 O ATOM 857 CB LEU A 62 18.191 21.741 4.989 1.00 25.00 C ATOM 858 CG LEU A 62 19.063 22.751 5.769 1.00 25.00 C ATOM 859 CD1 LEU A 62 18.309 24.112 6.137 1.00 75.00 C ATOM 860 CD2 LEU A 62 19.378 22.131 7.140 1.00 75.00 C ATOM 0 H LEU A 62 15.956 22.823 4.565 1.00 25.00 H new ATOM 0 HA LEU A 62 18.418 22.779 3.107 1.00 25.00 H new ATOM 0 HB2 LEU A 62 17.322 21.509 5.605 1.00 25.00 H new ATOM 0 HB3 LEU A 62 18.764 20.819 4.886 1.00 25.00 H new ATOM 0 HG LEU A 62 19.921 22.963 5.131 1.00 25.00 H new ATOM 0 HD11 LEU A 62 18.987 24.768 6.683 1.00 75.00 H new ATOM 0 HD12 LEU A 62 17.984 24.607 5.222 1.00 75.00 H new ATOM 0 HD13 LEU A 62 17.441 23.891 6.757 1.00 75.00 H new ATOM 0 HD21 LEU A 62 19.994 22.820 7.718 1.00 75.00 H new ATOM 0 HD22 LEU A 62 18.448 21.940 7.675 1.00 75.00 H new ATOM 0 HD23 LEU A 62 19.916 21.193 7.000 1.00 75.00 H new ATOM 872 N ASP A 63 16.225 20.632 2.436 1.00 25.00 N ATOM 873 CA ASP A 63 15.780 19.471 1.595 1.00 25.00 C ATOM 874 C ASP A 63 16.333 19.548 0.175 1.00 25.00 C ATOM 875 O ASP A 63 16.724 18.571 -0.405 1.00 25.00 O ATOM 876 CB ASP A 63 14.266 19.425 1.574 1.00 25.00 C ATOM 877 CG ASP A 63 13.728 18.096 1.073 1.00 25.00 C ATOM 878 OD1 ASP A 63 13.563 17.973 -0.186 1.00 50.00 O ATOM 879 OD2 ASP A 63 13.391 17.187 1.903 1.00 50.00 O1- ATOM 0 H ASP A 63 15.453 21.193 2.795 1.00 25.00 H new ATOM 0 HA ASP A 63 16.173 18.556 2.038 1.00 25.00 H new ATOM 0 HB2 ASP A 63 13.887 19.610 2.579 1.00 25.00 H new ATOM 0 HB3 ASP A 63 13.891 20.227 0.939 1.00 25.00 H new ATOM 884 N GLN A 64 16.640 20.760 -0.318 1.00 25.00 N ATOM 885 CA GLN A 64 17.084 20.872 -1.713 1.00 25.00 C ATOM 886 C GLN A 64 18.593 20.561 -1.889 1.00 25.00 C ATOM 887 O GLN A 64 19.235 20.803 -2.935 1.00 25.00 O ATOM 888 CB GLN A 64 16.868 22.349 -2.260 1.00 25.00 C ATOM 889 CG GLN A 64 17.650 23.407 -1.577 1.00 25.00 C ATOM 890 CD GLN A 64 17.365 24.847 -1.999 1.00 25.00 C ATOM 891 OE1 GLN A 64 17.891 25.298 -2.966 1.00 25.00 O ATOM 892 NE2 GLN A 64 16.461 25.527 -1.340 1.00 25.00 N ATOM 0 H GLN A 64 16.592 21.636 0.201 1.00 25.00 H new ATOM 0 HA GLN A 64 16.487 20.144 -2.263 1.00 25.00 H new ATOM 0 HB2 GLN A 64 17.119 22.364 -3.321 1.00 25.00 H new ATOM 0 HB3 GLN A 64 15.809 22.596 -2.179 1.00 25.00 H new ATOM 0 HG2 GLN A 64 17.472 23.324 -0.505 1.00 25.00 H new ATOM 0 HG3 GLN A 64 18.709 23.207 -1.740 1.00 25.00 H new ATOM 0 HE21 GLN A 64 16.021 25.123 -0.513 1.00 25.00 H new ATOM 0 HE22 GLN A 64 16.196 26.461 -1.654 1.00 25.00 H new ATOM 901 N GLN A 65 19.210 20.021 -0.836 1.00 25.00 N ATOM 902 CA GLN A 65 20.666 19.651 -0.839 1.00 25.00 C ATOM 903 C GLN A 65 20.907 18.294 -0.290 1.00 25.00 C ATOM 904 O GLN A 65 22.052 17.955 0.106 1.00 25.00 O ATOM 905 CB GLN A 65 21.463 20.699 -0.084 1.00 25.00 C ATOM 906 CG GLN A 65 21.534 22.027 -0.744 1.00 25.00 C ATOM 907 CD GLN A 65 22.511 22.923 -0.013 1.00 25.00 C ATOM 908 OE1 GLN A 65 23.739 22.909 -0.214 1.00 25.00 O ATOM 909 NE2 GLN A 65 22.024 23.749 0.934 1.00 25.00 N ATOM 0 H GLN A 65 18.738 19.821 0.046 1.00 25.00 H new ATOM 0 HA GLN A 65 21.002 19.625 -1.876 1.00 25.00 H new ATOM 0 HB2 GLN A 65 21.024 20.825 0.906 1.00 25.00 H new ATOM 0 HB3 GLN A 65 22.477 20.327 0.062 1.00 25.00 H new ATOM 0 HG2 GLN A 65 21.844 21.909 -1.782 1.00 25.00 H new ATOM 0 HG3 GLN A 65 20.546 22.488 -0.757 1.00 25.00 H new ATOM 0 HE21 GLN A 65 21.021 23.779 1.118 1.00 25.00 H new ATOM 0 HE22 GLN A 65 22.658 24.344 1.467 1.00 25.00 H new ATOM 918 N SER A 66 19.834 17.511 -0.219 1.00 25.00 N ATOM 919 CA SER A 66 19.792 16.361 0.674 1.00 25.00 C ATOM 920 C SER A 66 19.765 15.052 -0.171 1.00 25.00 C ATOM 921 O SER A 66 19.550 15.068 -1.407 1.00 25.00 O ATOM 922 CB SER A 66 18.498 16.470 1.462 1.00 25.00 C ATOM 923 OG SER A 66 18.304 15.362 2.280 1.00 25.00 O ATOM 0 H SER A 66 18.986 17.652 -0.768 1.00 25.00 H new ATOM 0 HA SER A 66 20.661 16.339 1.332 1.00 25.00 H new ATOM 0 HB2 SER A 66 18.517 17.374 2.071 1.00 25.00 H new ATOM 0 HB3 SER A 66 17.659 16.567 0.773 1.00 25.00 H new ATOM 0 HG SER A 66 17.941 15.652 3.143 1.00 25.00 H new ATOM 929 N GLU A 67 20.011 13.924 0.485 1.00 25.00 N ATOM 930 CA GLU A 67 19.821 12.580 -0.086 1.00 25.00 C ATOM 931 C GLU A 67 18.319 12.415 -0.265 1.00 25.00 C ATOM 932 O GLU A 67 17.903 11.880 -1.311 1.00 25.00 O ATOM 933 CB GLU A 67 20.425 11.537 0.871 1.00 25.00 C ATOM 934 CG GLU A 67 20.489 10.168 0.378 1.00 25.00 C ATOM 935 CD GLU A 67 21.159 9.219 1.356 1.00 25.00 C ATOM 936 OE1 GLU A 67 22.255 8.731 1.050 1.00 25.00 O ATOM 937 OE2 GLU A 67 20.609 8.923 2.429 1.00 25.00 O1- ATOM 0 H GLU A 67 20.354 13.909 1.445 1.00 25.00 H new ATOM 0 HA GLU A 67 20.321 12.444 -1.045 1.00 25.00 H new ATOM 0 HB2 GLU A 67 21.435 11.855 1.130 1.00 25.00 H new ATOM 0 HB3 GLU A 67 19.843 11.542 1.793 1.00 25.00 H new ATOM 0 HG2 GLU A 67 19.479 9.814 0.170 1.00 25.00 H new ATOM 0 HG3 GLU A 67 21.033 10.152 -0.566 1.00 25.00 H new ATOM 944 N ASN A 68 17.498 13.182 0.490 1.00 25.00 N ATOM 945 CA ASN A 68 15.998 13.232 0.377 1.00 25.00 C ATOM 946 C ASN A 68 15.566 14.503 -0.362 1.00 25.00 C ATOM 947 O ASN A 68 14.691 15.178 0.017 1.00 25.00 O ATOM 948 CB ASN A 68 15.208 13.085 1.719 1.00 25.00 C ATOM 949 CG ASN A 68 15.844 13.808 2.826 1.00 25.00 C ATOM 950 OD1 ASN A 68 16.621 13.257 3.567 1.00 25.00 O ATOM 951 ND2 ASN A 68 15.424 15.017 3.034 1.00 25.00 N ATOM 0 H ASN A 68 17.856 13.803 1.216 1.00 25.00 H new ATOM 0 HA ASN A 68 15.732 12.342 -0.194 1.00 25.00 H new ATOM 0 HB2 ASN A 68 14.193 13.457 1.582 1.00 25.00 H new ATOM 0 HB3 ASN A 68 15.129 12.029 1.977 1.00 25.00 H new ATOM 0 HD21 ASN A 68 15.751 15.537 3.848 1.00 25.00 H new ATOM 0 HD22 ASN A 68 14.767 15.448 2.384 1.00 25.00 H new ATOM 958 N ARG A 69 16.322 14.833 -1.372 1.00 25.00 N ATOM 959 CA ARG A 69 15.992 15.972 -2.259 1.00 25.00 C ATOM 960 C ARG A 69 15.127 15.399 -3.355 1.00 25.00 C ATOM 961 O ARG A 69 15.560 14.836 -4.394 1.00 25.00 O ATOM 962 CB ARG A 69 17.191 16.622 -2.892 1.00 25.00 C ATOM 963 CG ARG A 69 16.996 17.845 -3.806 1.00 25.00 C ATOM 964 CD ARG A 69 17.273 17.445 -5.287 1.00 25.00 C ATOM 965 NE ARG A 69 18.645 17.051 -5.583 1.00 25.00 N ATOM 966 CZ ARG A 69 19.109 16.436 -6.669 1.00 25.00 C ATOM 967 NH1 ARG A 69 20.383 16.205 -6.790 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 18.315 16.057 -7.693 1.00 25.00 N ATOM 0 H ARG A 69 17.180 14.342 -1.622 1.00 25.00 H new ATOM 0 HA ARG A 69 15.508 16.748 -1.666 1.00 25.00 H new ATOM 0 HB2 ARG A 69 17.864 16.919 -2.088 1.00 25.00 H new ATOM 0 HB3 ARG A 69 17.707 15.858 -3.474 1.00 25.00 H new ATOM 0 HG2 ARG A 69 15.980 18.227 -3.707 1.00 25.00 H new ATOM 0 HG3 ARG A 69 17.669 18.647 -3.504 1.00 25.00 H new ATOM 0 HD2 ARG A 69 16.611 16.621 -5.553 1.00 25.00 H new ATOM 0 HD3 ARG A 69 17.008 18.286 -5.928 1.00 25.00 H new ATOM 0 HE ARG A 69 19.337 17.275 -4.868 1.00 25.00 H new ATOM 0 HH11 ARG A 69 21.026 16.495 -6.053 1.00 25.00 H new ATOM 0 HH12 ARG A 69 20.739 15.734 -7.622 1.00 25.00 H new ATOM 0 HH21 ARG A 69 17.312 16.239 -7.655 1.00 25.00 H new ATOM 0 HH22 ARG A 69 18.718 15.588 -8.504 1.00 25.00 H new ATOM 982 N TRP A 70 13.884 15.511 -2.973 1.00 25.00 N ATOM 983 CA TRP A 70 12.742 15.202 -3.851 1.00 25.00 C ATOM 984 C TRP A 70 12.917 16.102 -5.075 1.00 25.00 C ATOM 985 O TRP A 70 13.409 17.206 -5.010 1.00 25.00 O ATOM 986 CB TRP A 70 11.404 15.494 -3.150 1.00 25.00 C ATOM 987 CG TRP A 70 11.127 14.855 -1.803 1.00 25.00 C ATOM 988 CD1 TRP A 70 11.681 15.168 -0.593 1.00 25.00 C ATOM 989 CD2 TRP A 70 10.155 13.816 -1.526 1.00 25.00 C ATOM 990 NE1 TRP A 70 11.105 14.400 0.418 1.00 25.00 N ATOM 991 CE2 TRP A 70 10.201 13.556 -0.161 1.00 25.00 C ATOM 992 CE3 TRP A 70 9.228 13.111 -2.335 1.00 25.00 C ATOM 993 CZ2 TRP A 70 9.289 12.743 0.446 1.00 25.00 C ATOM 994 CZ3 TRP A 70 8.315 12.229 -1.715 1.00 25.00 C ATOM 995 CH2 TRP A 70 8.377 12.079 -0.327 1.00 25.00 C ATOM 0 H TRP A 70 13.612 15.820 -2.040 1.00 25.00 H new ATOM 0 HA TRP A 70 12.721 14.146 -4.120 1.00 25.00 H new ATOM 0 HB2 TRP A 70 11.327 16.574 -3.024 1.00 25.00 H new ATOM 0 HB3 TRP A 70 10.605 15.194 -3.828 1.00 25.00 H new ATOM 0 HD1 TRP A 70 12.455 15.906 -0.442 1.00 25.00 H new ATOM 0 HE1 TRP A 70 11.321 14.458 1.413 1.00 25.00 H new ATOM 0 HE3 TRP A 70 9.220 13.246 -3.407 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 9.287 12.626 1.520 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 7.588 11.685 -2.299 1.00 25.00 H new ATOM 0 HH2 TRP A 70 7.677 11.412 0.154 1.00 25.00 H new ATOM 1006 N PHE A 71 12.661 15.590 -6.265 1.00 25.00 N ATOM 1007 CA PHE A 71 12.989 16.313 -7.506 1.00 25.00 C ATOM 1008 C PHE A 71 12.215 17.586 -7.727 1.00 25.00 C ATOM 1009 O PHE A 71 11.005 17.816 -7.356 1.00 25.00 O ATOM 1010 CB PHE A 71 12.855 15.414 -8.768 1.00 25.00 C ATOM 1011 CG PHE A 71 11.495 14.821 -9.002 1.00 25.00 C ATOM 1012 CD1 PHE A 71 11.189 13.514 -8.651 1.00 50.00 C ATOM 1013 CD2 PHE A 71 10.434 15.622 -9.607 1.00 50.00 C ATOM 1014 CE1 PHE A 71 9.941 12.944 -8.815 1.00 25.00 C ATOM 1015 CE2 PHE A 71 9.105 15.036 -9.790 1.00 25.00 C ATOM 1016 CZ PHE A 71 8.903 13.682 -9.403 1.00 25.00 C ATOM 0 H PHE A 71 12.228 14.678 -6.411 1.00 25.00 H new ATOM 0 HA PHE A 71 14.031 16.596 -7.359 1.00 25.00 H new ATOM 0 HB2 PHE A 71 13.130 16.004 -9.643 1.00 25.00 H new ATOM 0 HB3 PHE A 71 13.577 14.601 -8.691 1.00 25.00 H new ATOM 0 HD1 PHE A 71 11.973 12.906 -8.224 1.00 50.00 H new ATOM 0 HD2 PHE A 71 10.628 16.638 -9.917 1.00 50.00 H new ATOM 0 HE1 PHE A 71 9.765 11.929 -8.490 1.00 25.00 H new ATOM 0 HE2 PHE A 71 8.297 15.618 -10.209 1.00 25.00 H new ATOM 0 HZ PHE A 71 7.941 13.218 -9.563 1.00 25.00 H new ATOM 1026 N LYS A 72 12.931 18.428 -8.458 1.00 25.00 N ATOM 1027 CA LYS A 72 12.420 19.676 -9.000 1.00 25.00 C ATOM 1028 C LYS A 72 11.794 19.279 -10.355 1.00 25.00 C ATOM 1029 O LYS A 72 12.426 18.647 -11.133 1.00 25.00 O ATOM 1030 CB LYS A 72 13.577 20.639 -9.260 1.00 25.00 C ATOM 1031 CG LYS A 72 14.224 21.079 -7.937 1.00 25.00 C ATOM 1032 CD LYS A 72 15.382 22.060 -8.196 1.00 25.00 C ATOM 1033 CE LYS A 72 16.251 22.286 -6.966 1.00 25.00 C ATOM 1034 NZ LYS A 72 17.319 23.351 -7.085 1.00 25.00 N1+ ATOM 0 H LYS A 72 13.908 18.257 -8.696 1.00 25.00 H new ATOM 0 HA LYS A 72 11.716 20.162 -8.325 1.00 25.00 H new ATOM 0 HB2 LYS A 72 14.322 20.158 -9.893 1.00 25.00 H new ATOM 0 HB3 LYS A 72 13.215 21.513 -9.802 1.00 25.00 H new ATOM 0 HG2 LYS A 72 13.476 21.552 -7.300 1.00 25.00 H new ATOM 0 HG3 LYS A 72 14.594 20.206 -7.400 1.00 25.00 H new ATOM 0 HD2 LYS A 72 16.001 21.678 -9.007 1.00 25.00 H new ATOM 0 HD3 LYS A 72 14.975 23.015 -8.528 1.00 25.00 H new ATOM 0 HE2 LYS A 72 15.601 22.546 -6.131 1.00 25.00 H new ATOM 0 HE3 LYS A 72 16.735 21.343 -6.711 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 17.846 23.416 -6.191 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 17.973 23.102 -7.855 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 16.874 24.268 -7.292 1.00 25.00 H new ATOM 1048 N HIS A 73 10.598 19.820 -10.573 1.00 25.00 N ATOM 1049 CA HIS A 73 9.881 19.735 -11.880 1.00 25.00 C ATOM 1050 C HIS A 73 9.466 21.068 -12.401 1.00 25.00 C ATOM 1051 O HIS A 73 8.867 21.880 -11.650 1.00 25.00 O ATOM 1052 CB HIS A 73 8.634 18.890 -11.711 1.00 25.00 C ATOM 1053 CG HIS A 73 8.213 18.208 -12.968 1.00 25.00 C ATOM 1054 ND1 HIS A 73 9.077 17.270 -13.623 1.00 25.00 N ATOM 1055 CD2 HIS A 73 7.028 18.188 -13.671 1.00 25.00 C ATOM 1056 CE1 HIS A 73 8.367 16.742 -14.616 1.00 25.00 C ATOM 1057 NE2 HIS A 73 7.165 17.278 -14.651 1.00 25.00 N ATOM 0 H HIS A 73 10.083 20.334 -9.859 1.00 25.00 H new ATOM 0 HA HIS A 73 10.577 19.294 -12.594 1.00 25.00 H new ATOM 0 HB2 HIS A 73 8.813 18.140 -10.940 1.00 25.00 H new ATOM 0 HB3 HIS A 73 7.819 19.522 -11.358 1.00 25.00 H new ATOM 0 HD2 HIS A 73 6.154 18.790 -13.472 1.00 25.00 H new ATOM 0 HE1 HIS A 73 8.725 15.983 -15.296 1.00 25.00 H new ATOM 0 HE2 HIS A 73 6.440 17.037 -15.327 1.00 25.00 H new ATOM 1065 N ILE A 74 9.686 21.328 -13.679 1.00 25.00 N ATOM 1066 CA ILE A 74 9.086 22.527 -14.298 1.00 25.00 C ATOM 1067 C ILE A 74 7.754 22.135 -14.954 1.00 25.00 C ATOM 1068 O ILE A 74 7.638 21.034 -15.533 1.00 25.00 O ATOM 1069 CB ILE A 74 10.121 23.259 -15.194 1.00 25.00 C ATOM 1070 CG1 ILE A 74 9.542 24.625 -15.628 1.00 25.00 C ATOM 1071 CG2 ILE A 74 10.530 22.418 -16.386 1.00 25.00 C ATOM 1072 CD1 ILE A 74 10.567 25.655 -16.327 1.00 25.00 C ATOM 0 H ILE A 74 10.254 20.754 -14.302 1.00 25.00 H new ATOM 0 HA ILE A 74 8.825 23.282 -13.556 1.00 25.00 H new ATOM 0 HB ILE A 74 11.030 23.427 -14.616 1.00 25.00 H new ATOM 0 HG12 ILE A 74 8.719 24.442 -16.319 1.00 25.00 H new ATOM 0 HG13 ILE A 74 9.118 25.110 -14.749 1.00 25.00 H new ATOM 0 HG21 ILE A 74 11.255 22.967 -16.987 1.00 25.00 H new ATOM 0 HG22 ILE A 74 10.978 21.487 -16.038 1.00 25.00 H new ATOM 0 HG23 ILE A 74 9.652 22.194 -16.992 1.00 25.00 H new ATOM 0 HD11 ILE A 74 10.040 26.574 -16.584 1.00 25.00 H new ATOM 0 HD12 ILE A 74 11.380 25.883 -15.638 1.00 25.00 H new ATOM 0 HD13 ILE A 74 10.974 25.205 -17.232 1.00 25.00 H new ATOM 1084 N MET A 75 6.740 23.017 -14.850 1.00 25.00 N ATOM 1085 CA MET A 75 5.401 22.805 -15.457 1.00 25.00 C ATOM 1086 C MET A 75 4.845 24.144 -15.887 1.00 25.00 C ATOM 1087 O MET A 75 5.044 25.162 -15.279 1.00 25.00 O ATOM 1088 CB MET A 75 4.427 22.227 -14.422 1.00 25.00 C ATOM 1089 CG MET A 75 3.568 21.194 -15.036 1.00 25.00 C ATOM 1090 SD MET A 75 4.382 19.549 -15.349 1.00 25.00 S ATOM 1091 CE MET A 75 3.055 18.788 -16.315 1.00 25.00 C ATOM 0 H MET A 75 6.822 23.899 -14.343 1.00 25.00 H new ATOM 0 HA MET A 75 5.507 22.119 -16.298 1.00 25.00 H new ATOM 0 HB2 MET A 75 4.985 21.796 -13.590 1.00 25.00 H new ATOM 0 HB3 MET A 75 3.808 23.025 -14.012 1.00 25.00 H new ATOM 0 HG2 MET A 75 2.705 21.034 -14.390 1.00 25.00 H new ATOM 0 HG3 MET A 75 3.190 21.578 -15.984 1.00 25.00 H new ATOM 0 HE1 MET A 75 3.349 17.779 -16.606 1.00 25.00 H new ATOM 0 HE2 MET A 75 2.147 18.742 -15.713 1.00 25.00 H new ATOM 0 HE3 MET A 75 2.868 19.383 -17.209 1.00 25.00 H new ATOM 1101 N THR A 76 4.073 24.093 -16.964 1.00 25.00 N ATOM 1102 CA THR A 76 3.385 25.328 -17.420 1.00 25.00 C ATOM 1103 C THR A 76 2.134 25.624 -16.709 1.00 25.00 C ATOM 1104 O THR A 76 1.652 24.808 -15.874 1.00 25.00 O ATOM 1105 CB THR A 76 3.019 25.171 -18.921 1.00 25.00 C ATOM 1106 OG1 THR A 76 2.366 23.912 -19.134 1.00 25.00 O ATOM 1107 CG2 THR A 76 4.342 25.174 -19.730 1.00 25.00 C ATOM 0 H THR A 76 3.902 23.260 -17.527 1.00 25.00 H new ATOM 0 HA THR A 76 4.081 26.143 -17.224 1.00 25.00 H new ATOM 0 HB THR A 76 2.357 25.980 -19.230 1.00 25.00 H new ATOM 0 HG1 THR A 76 1.405 24.009 -18.966 1.00 25.00 H new ATOM 0 HG21 THR A 76 4.120 25.065 -20.791 1.00 25.00 H new ATOM 0 HG22 THR A 76 4.868 26.114 -19.564 1.00 25.00 H new ATOM 0 HG23 THR A 76 4.970 24.345 -19.404 1.00 25.00 H new ATOM 1115 N GLY A 77 1.525 26.746 -16.948 1.00 25.00 N ATOM 1116 CA GLY A 77 0.150 26.903 -16.542 1.00 25.00 C ATOM 1117 C GLY A 77 -0.777 26.084 -17.452 1.00 25.00 C ATOM 1118 O GLY A 77 -0.299 25.372 -18.381 1.00 25.00 O ATOM 0 H GLY A 77 1.942 27.554 -17.411 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.031 26.581 -15.508 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -0.129 27.956 -16.582 1.00 25.00 H new ATOM 1122 N GLY A 78 -2.055 26.181 -17.171 1.00 25.00 N ATOM 1123 CA GLY A 78 -3.115 25.456 -17.828 1.00 25.00 C ATOM 1124 C GLY A 78 -3.453 24.252 -16.908 1.00 25.00 C ATOM 1125 O GLY A 78 -2.932 24.051 -15.776 1.00 25.00 O ATOM 0 H GLY A 78 -2.401 26.801 -16.439 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -3.989 26.091 -17.974 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -2.800 25.116 -18.814 1.00 25.00 H new ATOM 1129 N GLU A 79 -4.426 23.444 -17.305 1.00 25.00 N ATOM 1130 CA GLU A 79 -4.770 22.228 -16.589 1.00 25.00 C ATOM 1131 C GLU A 79 -3.809 21.039 -16.838 1.00 25.00 C ATOM 1132 O GLU A 79 -3.381 20.731 -17.979 1.00 25.00 O ATOM 1133 CB GLU A 79 -6.131 21.782 -17.092 1.00 25.00 C ATOM 1134 CG GLU A 79 -7.379 22.645 -16.763 1.00 25.00 C ATOM 1135 CD GLU A 79 -8.711 21.904 -17.007 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -8.980 21.505 -18.164 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -9.442 21.648 -16.007 1.00 25.00 O1- ATOM 0 H GLU A 79 -4.998 23.615 -18.132 1.00 25.00 H new ATOM 0 HA GLU A 79 -4.728 22.470 -15.527 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -6.068 21.696 -18.177 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -6.313 20.780 -16.703 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -7.331 22.959 -15.720 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -7.357 23.550 -17.370 1.00 25.00 H new ATOM 1144 N HIS A 80 -3.522 20.340 -15.750 1.00 25.00 N ATOM 1145 CA HIS A 80 -2.708 19.075 -15.844 1.00 25.00 C ATOM 1146 C HIS A 80 -3.372 17.939 -15.052 1.00 25.00 C ATOM 1147 O HIS A 80 -4.217 18.169 -14.164 1.00 25.00 O ATOM 1148 CB HIS A 80 -1.384 19.368 -15.162 1.00 25.00 C ATOM 1149 CG HIS A 80 -0.677 20.559 -15.788 1.00 25.00 C ATOM 1150 ND1 HIS A 80 -0.035 20.533 -17.026 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -0.529 21.830 -15.322 1.00 25.00 C ATOM 1152 CE1 HIS A 80 0.594 21.705 -17.180 1.00 25.00 C ATOM 1153 NE2 HIS A 80 0.285 22.500 -16.219 1.00 25.00 N ATOM 0 H HIS A 80 -3.817 20.592 -14.807 1.00 25.00 H new ATOM 0 HA HIS A 80 -2.606 18.778 -16.888 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -1.556 19.563 -14.103 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -0.741 18.490 -15.224 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -0.965 22.238 -14.422 1.00 25.00 H new ATOM 0 HE1 HIS A 80 1.263 21.947 -17.993 1.00 25.00 H new ATOM 0 HE2 HIS A 80 0.590 23.469 -16.131 1.00 25.00 H new ATOM 1161 N THR A 81 -3.000 16.719 -15.366 1.00 25.00 N ATOM 1162 CA THR A 81 -3.617 15.521 -14.732 1.00 25.00 C ATOM 1163 C THR A 81 -2.633 14.797 -13.829 1.00 25.00 C ATOM 1164 O THR A 81 -1.531 14.506 -14.154 1.00 25.00 O ATOM 1165 CB THR A 81 -4.099 14.460 -15.805 1.00 25.00 C ATOM 1166 OG1 THR A 81 -4.640 15.125 -16.956 1.00 25.00 O ATOM 1167 CG2 THR A 81 -5.250 13.613 -15.235 1.00 25.00 C ATOM 0 H THR A 81 -2.277 16.505 -16.052 1.00 25.00 H new ATOM 0 HA THR A 81 -4.464 15.903 -14.163 1.00 25.00 H new ATOM 0 HB THR A 81 -3.236 13.847 -16.064 1.00 25.00 H new ATOM 0 HG1 THR A 81 -4.933 14.458 -17.612 1.00 25.00 H new ATOM 0 HG21 THR A 81 -5.572 12.888 -15.982 1.00 25.00 H new ATOM 0 HG22 THR A 81 -4.908 13.088 -14.343 1.00 25.00 H new ATOM 0 HG23 THR A 81 -6.086 14.263 -14.976 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.133 14.415 -12.644 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.451 13.523 -11.731 1.00 25.00 C ATOM 1177 C PHE A 82 -3.195 12.174 -11.594 1.00 25.00 C ATOM 1178 O PHE A 82 -4.343 12.154 -11.165 1.00 25.00 O ATOM 1179 CB PHE A 82 -2.465 14.147 -10.297 1.00 25.00 C ATOM 1180 CG PHE A 82 -1.527 15.264 -10.203 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -0.120 15.042 -10.118 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.036 16.597 -10.308 1.00 50.00 C ATOM 1183 CE1 PHE A 82 0.787 16.196 -10.084 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -1.105 17.721 -10.205 1.00 25.00 C ATOM 1185 CZ PHE A 82 0.247 17.487 -10.179 1.00 25.00 C ATOM 0 H PHE A 82 -4.040 14.730 -12.299 1.00 25.00 H new ATOM 0 HA PHE A 82 -1.445 13.373 -12.123 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -3.471 14.491 -10.056 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -2.204 13.385 -9.562 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.273 14.037 -10.079 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.091 16.771 -10.461 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.853 16.053 -9.987 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -1.481 18.732 -10.150 1.00 25.00 H new ATOM 0 HZ PHE A 82 0.921 18.329 -10.234 1.00 25.00 H new ATOM 1195 N THR A 83 -2.575 11.078 -11.932 1.00 25.00 N ATOM 1196 CA THR A 83 -3.238 9.807 -11.899 1.00 25.00 C ATOM 1197 C THR A 83 -2.288 8.818 -11.233 1.00 25.00 C ATOM 1198 O THR A 83 -1.139 8.699 -11.562 1.00 25.00 O ATOM 1199 CB THR A 83 -3.448 9.342 -13.395 1.00 25.00 C ATOM 1200 OG1 THR A 83 -4.142 10.363 -14.127 1.00 25.00 O ATOM 1201 CG2 THR A 83 -4.211 8.023 -13.468 1.00 25.00 C ATOM 0 H THR A 83 -1.602 11.041 -12.236 1.00 25.00 H new ATOM 0 HA THR A 83 -4.188 9.863 -11.368 1.00 25.00 H new ATOM 0 HB THR A 83 -2.468 9.180 -13.843 1.00 25.00 H new ATOM 0 HG1 THR A 83 -4.269 10.072 -15.054 1.00 25.00 H new ATOM 0 HG21 THR A 83 -4.338 7.733 -14.511 1.00 25.00 H new ATOM 0 HG22 THR A 83 -3.652 7.250 -12.942 1.00 25.00 H new ATOM 0 HG23 THR A 83 -5.190 8.143 -13.003 1.00 25.00 H new ATOM 1209 N TRP A 84 -2.831 8.131 -10.255 1.00 25.00 N ATOM 1210 CA TRP A 84 -2.119 7.163 -9.461 1.00 25.00 C ATOM 1211 C TRP A 84 -2.980 5.938 -9.767 1.00 25.00 C ATOM 1212 O TRP A 84 -4.130 6.177 -10.119 1.00 25.00 O ATOM 1213 CB TRP A 84 -2.278 7.495 -7.992 1.00 25.00 C ATOM 1214 CG TRP A 84 -1.530 8.662 -7.554 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -0.613 9.340 -8.255 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -1.678 9.375 -6.323 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.105 10.368 -7.553 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -0.655 10.358 -6.298 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -2.500 9.273 -5.177 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 -0.484 11.252 -5.248 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -2.342 10.186 -4.100 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -1.307 11.181 -4.147 1.00 25.00 C ATOM 0 H TRP A 84 -3.809 8.235 -9.984 1.00 25.00 H new ATOM 0 HA TRP A 84 -1.051 7.081 -9.662 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -3.335 7.656 -7.781 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -1.963 6.635 -7.402 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -0.317 9.091 -9.263 1.00 25.00 H new ATOM 0 HE1 TRP A 84 0.577 11.044 -7.898 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -3.250 8.498 -5.120 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 0.293 12.001 -5.296 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -3.000 10.132 -3.246 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -1.176 11.868 -3.324 1.00 25.00 H new ATOM 1233 N THR A 85 -2.423 4.739 -9.736 1.00 25.00 N ATOM 1234 CA THR A 85 -3.251 3.567 -10.038 1.00 25.00 C ATOM 1235 C THR A 85 -2.873 2.346 -9.182 1.00 25.00 C ATOM 1236 O THR A 85 -1.694 1.892 -9.176 1.00 25.00 O ATOM 1237 CB THR A 85 -3.161 3.161 -11.558 1.00 25.00 C ATOM 1238 OG1 THR A 85 -3.711 1.878 -11.840 1.00 25.00 O ATOM 1239 CG2 THR A 85 -1.753 3.229 -12.143 1.00 25.00 C ATOM 0 H THR A 85 -1.446 4.547 -9.516 1.00 25.00 H new ATOM 0 HA THR A 85 -4.272 3.864 -9.800 1.00 25.00 H new ATOM 0 HB THR A 85 -3.770 3.922 -12.045 1.00 25.00 H new ATOM 0 HG1 THR A 85 -3.625 1.688 -12.798 1.00 25.00 H new ATOM 0 HG21 THR A 85 -1.780 2.934 -13.192 1.00 25.00 H new ATOM 0 HG22 THR A 85 -1.374 4.248 -12.062 1.00 25.00 H new ATOM 0 HG23 THR A 85 -1.098 2.554 -11.593 1.00 25.00 H new ATOM 1247 N TYR A 86 -3.809 1.712 -8.476 1.00 25.00 N ATOM 1248 CA TYR A 86 -3.555 0.412 -7.730 1.00 25.00 C ATOM 1249 C TYR A 86 -4.616 -0.578 -8.073 1.00 25.00 C ATOM 1250 O TYR A 86 -5.767 -0.213 -8.195 1.00 25.00 O ATOM 1251 CB TYR A 86 -3.510 0.698 -6.231 1.00 25.00 C ATOM 1252 CG TYR A 86 -2.917 -0.440 -5.372 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -3.521 -0.759 -4.083 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -1.797 -1.239 -5.778 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -3.019 -1.912 -3.302 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -1.345 -2.306 -4.958 1.00 25.00 C ATOM 1257 CZ TYR A 86 -1.995 -2.673 -3.738 1.00 25.00 C ATOM 1258 OH TYR A 86 -1.443 -3.689 -3.079 1.00 25.00 O ATOM 0 H TYR A 86 -4.765 2.055 -8.385 1.00 25.00 H new ATOM 0 HA TYR A 86 -2.597 -0.015 -8.025 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -2.924 1.602 -6.065 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -4.522 0.906 -5.885 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -4.331 -0.156 -3.700 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -1.296 -1.028 -6.711 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -3.486 -2.150 -2.358 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -0.474 -2.864 -5.268 1.00 25.00 H new ATOM 0 HH TYR A 86 -0.719 -4.073 -3.617 1.00 25.00 H new ATOM 1268 N THR A 87 -4.253 -1.877 -8.178 1.00 25.00 N ATOM 1269 CA THR A 87 -5.189 -2.945 -8.531 1.00 25.00 C ATOM 1270 C THR A 87 -6.392 -3.215 -7.592 1.00 25.00 C ATOM 1271 O THR A 87 -7.464 -3.689 -7.948 1.00 25.00 O ATOM 1272 CB THR A 87 -4.461 -4.237 -8.881 1.00 25.00 C ATOM 1273 OG1 THR A 87 -5.329 -5.145 -9.532 1.00 25.00 O ATOM 1274 CG2 THR A 87 -3.806 -4.901 -7.613 1.00 25.00 C ATOM 0 H THR A 87 -3.300 -2.204 -8.018 1.00 25.00 H new ATOM 0 HA THR A 87 -5.676 -2.528 -9.412 1.00 25.00 H new ATOM 0 HB THR A 87 -3.655 -3.979 -9.568 1.00 25.00 H new ATOM 0 HG1 THR A 87 -4.840 -5.966 -9.749 1.00 25.00 H new ATOM 0 HG21 THR A 87 -3.297 -5.819 -7.905 1.00 25.00 H new ATOM 0 HG22 THR A 87 -3.086 -4.212 -7.172 1.00 25.00 H new ATOM 0 HG23 THR A 87 -4.581 -5.132 -6.882 1.00 25.00 H new ATOM 1282 N ALA A 88 -6.271 -2.840 -6.319 1.00 25.00 N ATOM 1283 CA ALA A 88 -7.260 -3.083 -5.243 1.00 25.00 C ATOM 1284 C ALA A 88 -7.317 -1.741 -4.591 1.00 25.00 C ATOM 1285 O ALA A 88 -6.416 -0.953 -4.755 1.00 25.00 O ATOM 1286 CB ALA A 88 -6.617 -4.142 -4.267 1.00 25.00 C ATOM 0 H ALA A 88 -5.450 -2.336 -5.984 1.00 25.00 H new ATOM 0 HA ALA A 88 -8.238 -3.452 -5.553 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -7.310 -4.355 -3.454 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -6.406 -5.061 -4.815 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -5.689 -3.743 -3.857 1.00 25.00 H new ATOM 1292 N PRO A 89 -8.388 -1.374 -3.874 1.00 25.00 N ATOM 1293 CA PRO A 89 -8.273 -0.106 -3.074 1.00 25.00 C ATOM 1294 C PRO A 89 -7.630 -0.572 -1.789 1.00 25.00 C ATOM 1295 O PRO A 89 -7.755 -1.740 -1.368 1.00 25.00 O ATOM 1296 CB PRO A 89 -9.755 0.326 -2.926 1.00 25.00 C ATOM 1297 CG PRO A 89 -10.530 -0.980 -2.875 1.00 25.00 C ATOM 1298 CD PRO A 89 -9.776 -1.895 -3.840 1.00 25.00 C ATOM 0 HA PRO A 89 -7.694 0.728 -3.470 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -9.908 0.914 -2.021 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -10.074 0.944 -3.765 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -10.550 -1.393 -1.867 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -11.566 -0.842 -3.183 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -9.799 -2.930 -3.499 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -10.227 -1.876 -4.832 1.00 25.00 H new ATOM 1306 N HIS A 90 -7.042 0.413 -1.129 1.00 25.00 N ATOM 1307 CA HIS A 90 -6.716 0.359 0.322 1.00 25.00 C ATOM 1308 C HIS A 90 -8.019 0.942 0.991 1.00 25.00 C ATOM 1309 O HIS A 90 -8.759 1.631 0.345 1.00 25.00 O ATOM 1310 CB HIS A 90 -5.559 1.326 0.657 1.00 0.00 C ATOM 1311 CG HIS A 90 -4.304 1.087 -0.112 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -3.321 0.210 0.328 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -3.830 1.604 -1.249 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -2.317 0.302 -0.575 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -2.583 1.199 -1.528 1.00 0.00 N ATOM 0 H HIS A 90 -6.767 1.289 -1.573 1.00 25.00 H new ATOM 0 HA HIS A 90 -6.429 -0.641 0.646 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -5.893 2.347 0.473 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.337 1.250 1.721 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -3.350 -0.381 1.159 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.393 2.278 -1.878 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.409 -0.281 -0.530 1.00 0.00 H new ATOM 1323 N ASN A 91 -8.187 0.815 2.315 1.00 25.00 N ATOM 1324 CA ASN A 91 -9.267 1.497 3.041 1.00 25.00 C ATOM 1325 C ASN A 91 -8.739 2.875 3.461 1.00 25.00 C ATOM 1326 O ASN A 91 -7.711 2.959 4.141 1.00 25.00 O ATOM 1327 CB ASN A 91 -9.655 0.673 4.279 1.00 25.00 C ATOM 1328 CG ASN A 91 -10.838 1.306 4.978 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -11.631 1.959 4.370 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -10.891 1.117 6.297 1.00 25.00 N ATOM 0 H ASN A 91 -7.585 0.243 2.907 1.00 25.00 H new ATOM 0 HA ASN A 91 -10.152 1.606 2.415 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -9.901 -0.347 3.984 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -8.809 0.611 4.964 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -11.640 1.542 6.843 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -10.182 0.547 6.759 1.00 25.00 H new ATOM 1337 N THR A 92 -9.353 3.929 2.956 1.00 25.00 N ATOM 1338 CA THR A 92 -8.846 5.295 3.124 1.00 25.00 C ATOM 1339 C THR A 92 -10.033 6.288 3.406 1.00 25.00 C ATOM 1340 O THR A 92 -11.159 5.994 3.114 1.00 25.00 O ATOM 1341 CB THR A 92 -8.132 5.776 1.860 1.00 25.00 C ATOM 1342 OG1 THR A 92 -9.005 5.642 0.714 1.00 25.00 O ATOM 1343 CG2 THR A 92 -6.892 4.955 1.469 1.00 25.00 C ATOM 0 H THR A 92 -10.217 3.872 2.417 1.00 25.00 H new ATOM 0 HA THR A 92 -8.149 5.279 3.962 1.00 25.00 H new ATOM 0 HB THR A 92 -7.845 6.800 2.099 1.00 25.00 H new ATOM 0 HG1 THR A 92 -8.534 5.938 -0.093 1.00 25.00 H new ATOM 0 HG21 THR A 92 -6.452 5.370 0.562 1.00 25.00 H new ATOM 0 HG22 THR A 92 -6.161 4.993 2.277 1.00 25.00 H new ATOM 0 HG23 THR A 92 -7.182 3.920 1.291 1.00 25.00 H new ATOM 1351 N SER A 93 -9.731 7.415 4.041 1.00 25.00 N ATOM 1352 CA SER A 93 -10.726 8.449 4.424 1.00 25.00 C ATOM 1353 C SER A 93 -10.746 9.600 3.422 1.00 25.00 C ATOM 1354 O SER A 93 -11.804 10.012 2.950 1.00 25.00 O ATOM 1355 CB SER A 93 -10.421 8.935 5.820 1.00 25.00 C ATOM 1356 OG SER A 93 -9.098 9.287 5.749 1.00 25.00 O ATOM 0 H SER A 93 -8.778 7.654 4.315 1.00 25.00 H new ATOM 0 HA SER A 93 -11.723 8.008 4.412 1.00 25.00 H new ATOM 0 HB2 SER A 93 -11.048 9.782 6.097 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.591 8.156 6.563 1.00 25.00 H new ATOM 0 HG SER A 93 -8.828 9.714 6.589 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.621 10.139 3.070 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.497 11.348 2.215 1.00 25.00 C ATOM 1364 C GLN A 94 -8.185 11.504 1.562 1.00 25.00 C ATOM 1365 O GLN A 94 -7.218 10.987 2.084 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.837 12.491 3.181 1.00 25.00 C ATOM 1367 CG GLN A 94 -9.959 13.893 2.650 1.00 25.00 C ATOM 1368 CD GLN A 94 -10.463 14.868 3.596 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -11.078 15.781 3.193 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -10.131 14.779 4.860 1.00 25.00 N ATOM 0 H GLN A 94 -8.719 9.763 3.362 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.161 11.306 1.351 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -10.781 12.241 3.665 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -9.073 12.501 3.959 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -8.979 14.220 2.303 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -10.617 13.880 1.781 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -9.596 13.977 5.191 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -10.408 15.512 5.513 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.066 12.305 0.476 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.788 12.786 0.019 1.00 25.00 C ATOM 1381 C TRP A 95 -6.752 14.328 -0.017 1.00 25.00 C ATOM 1382 O TRP A 95 -7.826 14.926 -0.182 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.421 12.261 -1.351 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.492 12.490 -2.430 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -7.720 13.613 -3.121 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -8.473 11.539 -2.879 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -8.750 13.442 -4.042 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -9.294 12.201 -3.810 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -8.791 10.229 -2.515 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -10.480 11.595 -4.339 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -9.856 9.586 -3.136 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -10.716 10.251 -4.004 1.00 25.00 C ATOM 0 H TRP A 95 -8.857 12.619 -0.086 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.058 12.412 0.737 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.493 12.735 -1.671 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.223 11.192 -1.275 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -7.174 14.535 -2.982 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -9.045 14.111 -4.754 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -8.214 9.719 -1.757 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -11.163 12.147 -4.968 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -10.021 8.537 -2.938 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -11.567 9.733 -4.421 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.597 14.921 0.289 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.424 16.376 0.510 1.00 25.00 C ATOM 1405 C HIS A 96 -4.361 16.940 -0.453 1.00 25.00 C ATOM 1406 O HIS A 96 -3.476 16.142 -0.751 1.00 25.00 O ATOM 1407 CB HIS A 96 -4.911 16.609 1.950 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.563 15.750 2.994 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.708 16.168 3.714 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.227 14.554 3.529 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -6.948 15.214 4.659 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.037 14.283 4.568 1.00 25.00 N ATOM 0 H HIS A 96 -4.728 14.398 0.395 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.382 16.869 0.343 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -3.836 16.431 1.972 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.066 17.656 2.212 1.00 25.00 H new ATOM 0 HD1 HIS A 96 -7.249 17.018 3.557 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -4.431 13.915 3.176 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -7.762 15.227 5.369 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.380 18.214 -0.828 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.331 18.681 -1.667 1.00 25.00 C ATOM 1422 C TYR A 97 -3.049 20.130 -1.222 1.00 25.00 C ATOM 1423 O TYR A 97 -3.988 20.851 -0.877 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.661 18.508 -3.149 1.00 25.00 C ATOM 1425 CG TYR A 97 -5.184 18.595 -3.544 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -6.031 17.473 -3.445 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -5.748 19.786 -4.059 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -7.438 17.573 -3.797 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -7.114 19.837 -4.529 1.00 25.00 C ATOM 1430 CZ TYR A 97 -7.919 18.758 -4.403 1.00 25.00 C ATOM 1431 OH TYR A 97 -9.198 18.818 -4.855 1.00 25.00 O ATOM 0 H TYR A 97 -5.087 18.902 -0.568 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.420 18.092 -1.559 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -3.119 19.269 -3.711 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -3.279 17.540 -3.473 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -5.631 16.529 -3.104 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -5.143 20.679 -4.102 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -8.110 16.751 -3.598 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -7.493 20.741 -4.983 1.00 25.00 H new ATOM 0 HH TYR A 97 -9.367 19.702 -5.242 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.774 20.468 -1.138 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.310 21.749 -0.467 1.00 25.00 C ATOM 1443 C TYR A 98 -0.290 22.429 -1.313 1.00 25.00 C ATOM 1444 O TYR A 98 0.413 21.803 -2.112 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.576 21.439 0.855 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.421 20.672 1.890 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.607 19.262 1.799 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.056 21.323 2.991 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.312 18.538 2.785 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -2.933 20.639 3.837 1.00 25.00 C ATOM 1451 CZ TYR A 98 -3.100 19.270 3.707 1.00 25.00 C ATOM 1452 OH TYR A 98 -4.080 18.719 4.482 1.00 25.00 O ATOM 0 H TYR A 98 -1.015 19.899 -1.514 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.199 22.360 -0.308 1.00 25.00 H new ATOM 0 HB2 TYR A 98 0.318 20.857 0.632 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.243 22.377 1.300 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.197 18.732 0.952 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -1.854 22.368 3.174 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -2.252 17.461 2.835 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -3.482 21.179 4.594 1.00 25.00 H new ATOM 0 HH TYR A 98 -4.486 19.415 5.040 1.00 25.00 H new ATOM 1462 N ILE A 99 -0.171 23.724 -1.111 1.00 25.00 N ATOM 1463 CA ILE A 99 0.861 24.488 -1.848 1.00 25.00 C ATOM 1464 C ILE A 99 1.723 25.269 -0.874 1.00 25.00 C ATOM 1465 O ILE A 99 1.407 25.531 0.277 1.00 25.00 O ATOM 1466 CB ILE A 99 0.332 25.428 -2.915 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.491 26.593 -2.293 1.00 25.00 C ATOM 1468 CG2 ILE A 99 -0.426 24.631 -4.016 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.693 27.780 -3.228 1.00 25.00 C ATOM 0 H ILE A 99 -0.745 24.271 -0.470 1.00 25.00 H new ATOM 0 HA ILE A 99 1.443 23.735 -2.380 1.00 25.00 H new ATOM 0 HB ILE A 99 1.173 25.911 -3.413 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.466 26.213 -1.990 1.00 25.00 H new ATOM 0 HG13 ILE A 99 0.012 26.937 -1.389 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -0.799 25.321 -4.773 1.00 25.00 H new ATOM 0 HG22 ILE A 99 0.253 23.915 -4.480 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -1.264 24.098 -3.567 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -1.276 28.548 -2.720 1.00 25.00 H new ATOM 0 HD12 ILE A 99 0.277 28.188 -3.512 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -1.225 27.453 -4.121 1.00 25.00 H new ATOM 1481 N THR A 100 2.911 25.722 -1.343 1.00 25.00 N ATOM 1482 CA THR A 100 3.844 26.612 -0.575 1.00 25.00 C ATOM 1483 C THR A 100 3.871 27.934 -1.234 1.00 25.00 C ATOM 1484 O THR A 100 4.039 27.978 -2.443 1.00 25.00 O ATOM 1485 CB THR A 100 5.228 25.938 -0.423 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.053 24.677 0.174 1.00 25.00 O ATOM 1487 CG2 THR A 100 6.203 26.773 0.360 1.00 25.00 C ATOM 0 H THR A 100 3.260 25.484 -2.271 1.00 25.00 H new ATOM 0 HA THR A 100 3.498 26.771 0.446 1.00 25.00 H new ATOM 0 HB THR A 100 5.663 25.827 -1.416 1.00 25.00 H new ATOM 0 HG1 THR A 100 4.709 24.045 -0.491 1.00 25.00 H new ATOM 0 HG21 THR A 100 7.155 26.248 0.433 1.00 25.00 H new ATOM 0 HG22 THR A 100 6.353 27.727 -0.145 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.809 26.950 1.361 1.00 25.00 H new ATOM 1495 N LYS A 101 3.638 28.957 -0.493 1.00 25.00 N ATOM 1496 CA LYS A 101 3.683 30.354 -0.947 1.00 25.00 C ATOM 1497 C LYS A 101 5.039 30.921 -0.530 1.00 25.00 C ATOM 1498 O LYS A 101 5.689 30.355 0.311 1.00 25.00 O ATOM 1499 CB LYS A 101 2.550 31.138 -0.334 1.00 25.00 C ATOM 1500 CG LYS A 101 2.549 31.076 1.190 1.00 25.00 C ATOM 1501 CD LYS A 101 1.300 31.848 1.729 1.00 25.00 C ATOM 1502 CE LYS A 101 1.189 31.558 3.231 1.00 25.00 C ATOM 1503 NZ LYS A 101 -0.022 32.100 3.838 1.00 25.00 N1+ ATOM 0 H LYS A 101 3.398 28.870 0.494 1.00 25.00 H new ATOM 0 HA LYS A 101 3.567 30.419 -2.029 1.00 25.00 H new ATOM 0 HB2 LYS A 101 2.620 32.178 -0.651 1.00 25.00 H new ATOM 0 HB3 LYS A 101 1.602 30.753 -0.710 1.00 25.00 H new ATOM 0 HG2 LYS A 101 2.524 30.039 1.525 1.00 25.00 H new ATOM 0 HG3 LYS A 101 3.464 31.517 1.586 1.00 25.00 H new ATOM 0 HD2 LYS A 101 1.406 32.918 1.552 1.00 25.00 H new ATOM 0 HD3 LYS A 101 0.397 31.527 1.209 1.00 25.00 H new ATOM 0 HE2 LYS A 101 1.214 30.480 3.388 1.00 25.00 H new ATOM 0 HE3 LYS A 101 2.059 31.974 3.739 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -0.027 31.884 4.855 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -0.047 33.131 3.703 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -0.857 31.672 3.389 1.00 25.00 H new ATOM 1517 N LYS A 102 5.284 32.176 -0.858 1.00 25.00 N ATOM 1518 CA LYS A 102 6.506 32.836 -0.478 1.00 25.00 C ATOM 1519 C LYS A 102 6.247 34.339 -0.671 1.00 25.00 C ATOM 1520 O LYS A 102 5.118 34.718 -1.127 1.00 25.00 O ATOM 1521 CB LYS A 102 7.703 32.317 -1.343 1.00 25.00 C ATOM 1522 CG LYS A 102 7.647 32.859 -2.809 1.00 25.00 C ATOM 1523 CD LYS A 102 8.778 32.422 -3.698 1.00 25.00 C ATOM 1524 CE LYS A 102 8.553 32.820 -5.134 1.00 25.00 C ATOM 1525 NZ LYS A 102 7.324 32.294 -5.747 1.00 25.00 N1+ ATOM 0 H LYS A 102 4.641 32.759 -1.393 1.00 25.00 H new ATOM 0 HA LYS A 102 6.783 32.630 0.556 1.00 25.00 H new ATOM 0 HB2 LYS A 102 8.642 32.620 -0.880 1.00 25.00 H new ATOM 0 HB3 LYS A 102 7.693 31.227 -1.359 1.00 25.00 H new ATOM 0 HG2 LYS A 102 6.707 32.541 -3.261 1.00 25.00 H new ATOM 0 HG3 LYS A 102 7.632 33.948 -2.776 1.00 25.00 H new ATOM 0 HD2 LYS A 102 9.710 32.861 -3.342 1.00 25.00 H new ATOM 0 HD3 LYS A 102 8.891 31.340 -3.635 1.00 25.00 H new ATOM 0 HE2 LYS A 102 8.532 33.908 -5.193 1.00 25.00 H new ATOM 0 HE3 LYS A 102 9.406 32.485 -5.724 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 7.341 32.477 -6.771 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 7.263 31.269 -5.579 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 6.497 32.763 -5.325 1.00 25.00 H new ATOM 1539 N GLY A 103 7.226 35.166 -0.324 1.00 25.00 N ATOM 1540 CA GLY A 103 7.002 36.586 -0.179 1.00 25.00 C ATOM 1541 C GLY A 103 6.260 36.959 1.071 1.00 25.00 C ATOM 1542 O GLY A 103 5.499 37.930 1.283 1.00 25.00 O ATOM 0 H GLY A 103 8.184 34.869 -0.139 1.00 25.00 H new ATOM 0 HA2 GLY A 103 7.964 37.098 -0.186 1.00 25.00 H new ATOM 0 HA3 GLY A 103 6.443 36.946 -1.043 1.00 25.00 H new ATOM 1546 N TRP A 104 6.480 36.043 1.983 1.00 25.00 N ATOM 1547 CA TRP A 104 5.765 36.052 3.295 1.00 25.00 C ATOM 1548 C TRP A 104 6.589 36.705 4.425 1.00 25.00 C ATOM 1549 O TRP A 104 7.828 36.589 4.445 1.00 25.00 O ATOM 1550 CB TRP A 104 5.310 34.606 3.560 1.00 25.00 C ATOM 1551 CG TRP A 104 6.340 33.530 3.467 1.00 25.00 C ATOM 1552 CD1 TRP A 104 7.700 33.572 3.285 1.00 25.00 C ATOM 1553 CD2 TRP A 104 6.098 32.077 3.536 1.00 25.00 C ATOM 1554 NE1 TRP A 104 8.319 32.362 3.290 1.00 25.00 N ATOM 1555 CE2 TRP A 104 7.378 31.425 3.506 1.00 25.00 C ATOM 1556 CE3 TRP A 104 4.948 31.302 3.545 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 7.473 30.036 3.720 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 5.040 29.907 3.682 1.00 25.00 C ATOM 1559 CH2 TRP A 104 6.320 29.285 3.789 1.00 25.00 C ATOM 0 H TRP A 104 7.140 35.274 1.869 1.00 25.00 H new ATOM 0 HA TRP A 104 4.885 36.694 3.263 1.00 25.00 H new ATOM 0 HB2 TRP A 104 4.874 34.569 4.558 1.00 25.00 H new ATOM 0 HB3 TRP A 104 4.513 34.370 2.855 1.00 25.00 H new ATOM 0 HD1 TRP A 104 8.238 34.498 3.148 1.00 25.00 H new ATOM 0 HE1 TRP A 104 9.316 32.195 3.155 1.00 25.00 H new ATOM 0 HE3 TRP A 104 3.980 31.772 3.447 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 8.439 29.565 3.829 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 4.143 29.306 3.706 1.00 25.00 H new ATOM 0 HH2 TRP A 104 6.385 28.216 3.925 1.00 25.00 H new ATOM 1570 N ASP A 105 5.867 37.295 5.380 1.00 25.00 N ATOM 1571 CA ASP A 105 6.350 38.114 6.491 1.00 25.00 C ATOM 1572 C ASP A 105 6.449 37.305 7.758 1.00 25.00 C ATOM 1573 O ASP A 105 5.616 36.474 7.958 1.00 25.00 O ATOM 1574 CB ASP A 105 5.224 39.122 6.717 1.00 25.00 C ATOM 1575 CG ASP A 105 5.401 39.957 7.970 1.00 25.00 C ATOM 1576 OD1 ASP A 105 4.897 39.613 9.052 1.00 25.00 O ATOM 1577 OD2 ASP A 105 5.932 41.064 7.921 1.00 25.00 O1- ATOM 0 H ASP A 105 4.851 37.205 5.397 1.00 25.00 H new ATOM 0 HA ASP A 105 7.328 38.541 6.267 1.00 25.00 H new ATOM 0 HB2 ASP A 105 5.162 39.785 5.854 1.00 25.00 H new ATOM 0 HB3 ASP A 105 4.276 38.588 6.777 1.00 25.00 H new ATOM 1582 N PRO A 106 7.462 37.493 8.604 1.00 25.00 N ATOM 1583 CA PRO A 106 7.728 36.674 9.771 1.00 25.00 C ATOM 1584 C PRO A 106 6.787 36.676 10.957 1.00 25.00 C ATOM 1585 O PRO A 106 6.639 35.634 11.578 1.00 25.00 O ATOM 1586 CB PRO A 106 9.066 37.193 10.264 1.00 25.00 C ATOM 1587 CG PRO A 106 9.649 37.831 9.192 1.00 25.00 C ATOM 1588 CD PRO A 106 8.568 38.449 8.386 1.00 25.00 C ATOM 0 HA PRO A 106 7.641 35.644 9.426 1.00 25.00 H new ATOM 0 HB2 PRO A 106 8.933 37.879 11.100 1.00 25.00 H new ATOM 0 HB3 PRO A 106 9.694 36.376 10.619 1.00 25.00 H new ATOM 0 HG2 PRO A 106 10.351 38.591 9.536 1.00 25.00 H new ATOM 0 HG3 PRO A 106 10.217 37.122 8.589 1.00 25.00 H new ATOM 0 HD2 PRO A 106 8.319 39.452 8.733 1.00 25.00 H new ATOM 0 HD3 PRO A 106 8.837 38.533 7.333 1.00 25.00 H new ATOM 1596 N ASP A 107 6.272 37.816 11.343 1.00 25.00 N ATOM 1597 CA ASP A 107 5.371 37.892 12.531 1.00 25.00 C ATOM 1598 C ASP A 107 4.060 37.245 12.201 1.00 25.00 C ATOM 1599 O ASP A 107 3.324 36.704 12.974 1.00 25.00 O ATOM 1600 CB ASP A 107 5.083 39.306 13.027 1.00 25.00 C ATOM 1601 CG ASP A 107 4.152 39.344 14.178 1.00 25.00 C ATOM 1602 OD1 ASP A 107 3.064 39.924 14.044 1.00 75.00 O ATOM 1603 OD2 ASP A 107 4.479 38.859 15.297 1.00 75.00 O1- ATOM 0 H ASP A 107 6.440 38.708 10.879 1.00 25.00 H new ATOM 0 HA ASP A 107 5.904 37.378 13.331 1.00 25.00 H new ATOM 0 HB2 ASP A 107 6.021 39.782 13.312 1.00 25.00 H new ATOM 0 HB3 ASP A 107 4.663 39.892 12.209 1.00 25.00 H new ATOM 1608 N LYS A 108 3.713 37.296 10.940 1.00 25.00 N ATOM 1609 CA LYS A 108 2.534 36.684 10.324 1.00 25.00 C ATOM 1610 C LYS A 108 2.675 35.185 10.301 1.00 25.00 C ATOM 1611 O LYS A 108 3.784 34.688 10.511 1.00 25.00 O ATOM 1612 CB LYS A 108 2.355 37.331 8.900 1.00 25.00 C ATOM 1613 CG LYS A 108 1.678 38.639 8.985 1.00 25.00 C ATOM 1614 CD LYS A 108 1.385 39.185 7.607 1.00 25.00 C ATOM 1615 CE LYS A 108 0.547 40.398 7.636 1.00 25.00 C ATOM 1616 NZ LYS A 108 0.070 40.871 6.295 1.00 25.00 N1+ ATOM 0 H LYS A 108 4.279 37.799 10.257 1.00 25.00 H new ATOM 0 HA LYS A 108 1.629 36.876 10.900 1.00 25.00 H new ATOM 0 HB2 LYS A 108 3.330 37.454 8.429 1.00 25.00 H new ATOM 0 HB3 LYS A 108 1.777 36.661 8.264 1.00 25.00 H new ATOM 0 HG2 LYS A 108 0.749 38.536 9.545 1.00 25.00 H new ATOM 0 HG3 LYS A 108 2.305 39.342 9.534 1.00 25.00 H new ATOM 0 HD2 LYS A 108 2.325 39.411 7.104 1.00 25.00 H new ATOM 0 HD3 LYS A 108 0.884 38.418 7.017 1.00 25.00 H new ATOM 0 HE2 LYS A 108 -0.321 40.207 8.267 1.00 25.00 H new ATOM 0 HE3 LYS A 108 1.113 41.201 8.108 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 -0.510 41.726 6.415 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 0.889 41.089 5.692 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 -0.501 40.126 5.847 1.00 25.00 H new ATOM 1630 N PRO A 109 1.576 34.370 10.130 1.00 25.00 N ATOM 1631 CA PRO A 109 1.539 32.859 10.062 1.00 25.00 C ATOM 1632 C PRO A 109 2.489 32.045 9.186 1.00 25.00 C ATOM 1633 O PRO A 109 2.255 30.863 9.085 1.00 25.00 O ATOM 1634 CB PRO A 109 0.076 32.656 9.654 1.00 25.00 C ATOM 1635 CG PRO A 109 -0.658 33.842 10.207 1.00 25.00 C ATOM 1636 CD PRO A 109 0.225 34.986 10.005 1.00 25.00 C ATOM 0 HA PRO A 109 1.906 32.462 11.009 1.00 25.00 H new ATOM 0 HB2 PRO A 109 -0.026 32.601 8.570 1.00 25.00 H new ATOM 0 HB3 PRO A 109 -0.320 31.725 10.059 1.00 25.00 H new ATOM 0 HG2 PRO A 109 -1.609 33.987 9.695 1.00 25.00 H new ATOM 0 HG3 PRO A 109 -0.883 33.704 11.264 1.00 25.00 H new ATOM 0 HD2 PRO A 109 0.077 35.447 9.028 1.00 25.00 H new ATOM 0 HD3 PRO A 109 0.062 35.763 10.752 1.00 25.00 H new ATOM 1644 N LEU A 110 3.614 32.591 8.701 1.00 25.00 N ATOM 1645 CA LEU A 110 4.577 31.881 7.874 1.00 25.00 C ATOM 1646 C LEU A 110 5.019 30.478 8.388 1.00 25.00 C ATOM 1647 O LEU A 110 5.209 29.527 7.566 1.00 25.00 O ATOM 1648 CB LEU A 110 5.841 32.761 7.696 1.00 25.00 C ATOM 1649 CG LEU A 110 7.240 32.359 7.233 1.00 25.00 C ATOM 1650 CD1 LEU A 110 7.947 33.578 6.855 1.00 50.00 C ATOM 1651 CD2 LEU A 110 8.051 31.647 8.234 1.00 50.00 C ATOM 0 H LEU A 110 3.877 33.560 8.882 1.00 25.00 H new ATOM 0 HA LEU A 110 4.054 31.695 6.936 1.00 25.00 H new ATOM 0 HB2 LEU A 110 5.536 33.549 7.008 1.00 25.00 H new ATOM 0 HB3 LEU A 110 5.994 33.228 8.669 1.00 25.00 H new ATOM 0 HG LEU A 110 7.104 31.659 6.409 1.00 25.00 H new ATOM 0 HD11 LEU A 110 8.953 33.326 6.518 1.00 50.00 H new ATOM 0 HD12 LEU A 110 7.409 34.076 6.048 1.00 50.00 H new ATOM 0 HD13 LEU A 110 8.009 34.244 7.715 1.00 50.00 H new ATOM 0 HD21 LEU A 110 9.025 31.406 7.808 1.00 50.00 H new ATOM 0 HD22 LEU A 110 8.185 32.280 9.111 1.00 50.00 H new ATOM 0 HD23 LEU A 110 7.544 30.727 8.525 1.00 50.00 H new ATOM 1663 N LYS A 111 5.183 30.283 9.696 1.00 25.00 N ATOM 1664 CA LYS A 111 5.602 28.991 10.242 1.00 25.00 C ATOM 1665 C LYS A 111 4.469 27.983 10.496 1.00 25.00 C ATOM 1666 O LYS A 111 4.732 26.768 10.609 1.00 25.00 O ATOM 1667 CB LYS A 111 6.349 29.220 11.589 1.00 25.00 C ATOM 1668 CG LYS A 111 7.508 30.152 11.456 1.00 25.00 C ATOM 1669 CD LYS A 111 8.555 30.020 12.621 1.00 25.00 C ATOM 1670 CE LYS A 111 8.131 30.836 13.923 1.00 25.00 C ATOM 1671 NZ LYS A 111 9.121 31.022 14.982 1.00 25.00 N1+ ATOM 0 H LYS A 111 5.032 31.006 10.400 1.00 25.00 H new ATOM 0 HA LYS A 111 6.238 28.553 9.473 1.00 25.00 H new ATOM 0 HB2 LYS A 111 5.650 29.619 12.324 1.00 25.00 H new ATOM 0 HB3 LYS A 111 6.701 28.262 11.972 1.00 25.00 H new ATOM 0 HG2 LYS A 111 8.008 29.964 10.506 1.00 25.00 H new ATOM 0 HG3 LYS A 111 7.138 31.177 11.425 1.00 25.00 H new ATOM 0 HD2 LYS A 111 8.675 28.968 12.879 1.00 25.00 H new ATOM 0 HD3 LYS A 111 9.525 30.375 12.274 1.00 25.00 H new ATOM 0 HE2 LYS A 111 7.799 31.823 13.602 1.00 25.00 H new ATOM 0 HE3 LYS A 111 7.267 30.336 14.361 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 8.699 31.569 15.759 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 9.427 30.094 15.338 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 9.942 31.535 14.603 1.00 25.00 H new ATOM 1685 N ARG A 112 3.274 28.440 10.409 1.00 25.00 N ATOM 1686 CA ARG A 112 2.027 27.635 10.496 1.00 25.00 C ATOM 1687 C ARG A 112 1.274 27.345 9.193 1.00 25.00 C ATOM 1688 O ARG A 112 1.056 26.201 8.868 1.00 25.00 O ATOM 1689 CB ARG A 112 1.070 28.244 11.475 1.00 25.00 C ATOM 1690 CG ARG A 112 1.570 28.235 12.952 1.00 25.00 C ATOM 1691 CD ARG A 112 0.412 28.888 13.820 1.00 25.00 C ATOM 1692 NE ARG A 112 0.885 29.022 15.195 1.00 25.00 N ATOM 1693 CZ ARG A 112 0.176 29.446 16.232 1.00 25.00 C ATOM 1694 NH1 ARG A 112 -1.067 29.768 16.153 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 0.690 29.694 17.376 1.00 25.00 N ATOM 0 H ARG A 112 3.087 29.433 10.268 1.00 25.00 H new ATOM 0 HA ARG A 112 2.400 26.664 10.823 1.00 25.00 H new ATOM 0 HB2 ARG A 112 0.870 29.273 11.178 1.00 25.00 H new ATOM 0 HB3 ARG A 112 0.123 27.707 11.421 1.00 25.00 H new ATOM 0 HG2 ARG A 112 1.779 27.218 13.285 1.00 25.00 H new ATOM 0 HG3 ARG A 112 2.497 28.800 13.052 1.00 25.00 H new ATOM 0 HD2 ARG A 112 0.139 29.863 13.416 1.00 25.00 H new ATOM 0 HD3 ARG A 112 -0.483 28.267 13.786 1.00 25.00 H new ATOM 0 HE ARG A 112 1.855 28.764 15.375 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -1.555 29.703 15.260 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -1.565 30.088 16.984 1.00 25.00 H new ATOM 0 HH21 ARG A 112 1.691 29.567 17.523 1.00 25.00 H new ATOM 0 HH22 ARG A 112 0.099 30.018 18.141 1.00 25.00 H new ATOM 1709 N ALA A 113 1.011 28.433 8.495 1.00 25.00 N ATOM 1710 CA ALA A 113 0.467 28.410 7.131 1.00 25.00 C ATOM 1711 C ALA A 113 1.639 28.122 6.193 1.00 25.00 C ATOM 1712 O ALA A 113 1.664 28.559 5.045 1.00 25.00 O ATOM 1713 CB ALA A 113 -0.187 29.755 6.730 1.00 25.00 C ATOM 0 H ALA A 113 1.168 29.375 8.855 1.00 25.00 H new ATOM 0 HA ALA A 113 -0.313 27.651 7.070 1.00 25.00 H new ATOM 0 HB1 ALA A 113 -0.573 29.683 5.713 1.00 25.00 H new ATOM 0 HB2 ALA A 113 -1.006 29.980 7.414 1.00 25.00 H new ATOM 0 HB3 ALA A 113 0.556 30.551 6.781 1.00 25.00 H new ATOM 1719 N ASP A 114 2.584 27.305 6.648 1.00 25.00 N ATOM 1720 CA ASP A 114 3.816 26.875 5.928 1.00 25.00 C ATOM 1721 C ASP A 114 3.440 26.066 4.681 1.00 25.00 C ATOM 1722 O ASP A 114 4.165 26.068 3.660 1.00 25.00 O ATOM 1723 CB ASP A 114 4.682 26.038 6.927 1.00 25.00 C ATOM 1724 CG ASP A 114 5.980 25.580 6.221 1.00 25.00 C ATOM 1725 OD1 ASP A 114 6.228 24.370 6.023 1.00 25.00 O ATOM 1726 OD2 ASP A 114 6.772 26.467 5.871 1.00 25.00 O1- ATOM 0 H ASP A 114 2.524 26.893 7.579 1.00 25.00 H new ATOM 0 HA ASP A 114 4.392 27.735 5.586 1.00 25.00 H new ATOM 0 HB2 ASP A 114 4.924 26.636 7.805 1.00 25.00 H new ATOM 0 HB3 ASP A 114 4.120 25.172 7.276 1.00 25.00 H new ATOM 1731 N PHE A 115 2.297 25.458 4.767 1.00 25.00 N ATOM 1732 CA PHE A 115 1.703 24.678 3.689 1.00 25.00 C ATOM 1733 C PHE A 115 0.366 25.322 3.645 1.00 25.00 C ATOM 1734 O PHE A 115 -0.064 25.642 4.769 1.00 25.00 O ATOM 1735 CB PHE A 115 1.574 23.189 4.040 1.00 25.00 C ATOM 1736 CG PHE A 115 2.945 22.548 4.399 1.00 25.00 C ATOM 1737 CD1 PHE A 115 3.122 21.646 5.466 1.00 50.00 C ATOM 1738 CD2 PHE A 115 4.065 22.808 3.614 1.00 50.00 C ATOM 1739 CE1 PHE A 115 4.307 20.981 5.752 1.00 25.00 C ATOM 1740 CE2 PHE A 115 5.313 22.190 3.857 1.00 25.00 C ATOM 1741 CZ PHE A 115 5.446 21.333 4.955 1.00 25.00 C ATOM 0 H PHE A 115 1.722 25.483 5.609 1.00 25.00 H new ATOM 0 HA PHE A 115 2.274 24.679 2.760 1.00 25.00 H new ATOM 0 HB2 PHE A 115 0.890 23.074 4.881 1.00 25.00 H new ATOM 0 HB3 PHE A 115 1.135 22.656 3.197 1.00 25.00 H new ATOM 0 HD1 PHE A 115 2.275 21.458 6.108 1.00 50.00 H new ATOM 0 HD2 PHE A 115 3.978 23.504 2.793 1.00 50.00 H new ATOM 0 HE1 PHE A 115 4.368 20.238 6.533 1.00 25.00 H new ATOM 0 HE2 PHE A 115 6.153 22.377 3.204 1.00 25.00 H new ATOM 0 HZ PHE A 115 6.417 20.932 5.205 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.294 25.474 2.498 1.00 25.00 N ATOM 1752 CA GLU A 116 -1.691 25.871 2.496 1.00 25.00 C ATOM 1753 C GLU A 116 -2.550 24.797 1.879 1.00 25.00 C ATOM 1754 O GLU A 116 -2.317 24.371 0.744 1.00 25.00 O ATOM 1755 CB GLU A 116 -1.883 27.078 1.618 1.00 25.00 C ATOM 1756 CG GLU A 116 -1.193 28.253 2.237 1.00 25.00 C ATOM 1757 CD GLU A 116 -1.545 29.512 1.522 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -1.839 30.504 2.200 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -1.541 29.569 0.283 1.00 25.00 O1- ATOM 0 H GLU A 116 0.113 25.330 1.574 1.00 25.00 H new ATOM 0 HA GLU A 116 -1.968 26.063 3.533 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.480 26.887 0.624 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -2.946 27.288 1.496 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -1.476 28.335 3.287 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -0.114 28.103 2.208 1.00 25.00 H new ATOM 1766 N LEU A 117 -3.615 24.442 2.570 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.627 23.607 1.958 1.00 25.00 C ATOM 1768 C LEU A 117 -5.285 24.337 0.783 1.00 25.00 C ATOM 1769 O LEU A 117 -5.977 25.373 1.029 1.00 25.00 O ATOM 1770 CB LEU A 117 -5.678 23.201 3.005 1.00 25.00 C ATOM 1771 CG LEU A 117 -6.678 22.110 2.496 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -5.999 20.646 2.485 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -7.857 22.094 3.472 1.00 50.00 C ATOM 0 H LEU A 117 -3.800 24.712 3.536 1.00 25.00 H new ATOM 0 HA LEU A 117 -4.153 22.704 1.573 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.169 22.829 3.894 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.240 24.085 3.306 1.00 25.00 H new ATOM 0 HG LEU A 117 -6.986 22.345 1.477 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.721 19.913 2.126 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.131 20.653 1.826 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -5.686 20.383 3.495 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -8.582 21.345 3.155 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.498 21.851 4.472 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.332 23.075 3.485 1.00 50.00 H new ATOM 1785 N ILE A 118 -5.025 23.887 -0.443 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.679 24.467 -1.567 1.00 25.00 C ATOM 1787 C ILE A 118 -6.860 23.551 -1.970 1.00 25.00 C ATOM 1788 O ILE A 118 -7.791 24.025 -2.643 1.00 25.00 O ATOM 1789 CB ILE A 118 -4.643 24.670 -2.703 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -5.190 25.719 -3.683 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -4.148 23.326 -3.275 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -4.200 26.232 -4.746 1.00 25.00 C ATOM 0 H ILE A 118 -4.373 23.133 -0.661 1.00 25.00 H new ATOM 0 HA ILE A 118 -6.091 25.449 -1.337 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.709 25.095 -2.336 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -6.053 25.294 -4.195 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -5.549 26.572 -3.108 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -3.424 23.513 -4.068 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.676 22.745 -2.483 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.993 22.769 -3.679 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -4.696 26.967 -5.380 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -3.345 26.696 -4.253 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -3.858 25.397 -5.357 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.854 22.310 -1.520 1.00 25.00 N ATOM 1805 CA GLY A 119 -8.052 21.527 -1.581 1.00 25.00 C ATOM 1806 C GLY A 119 -7.972 20.153 -1.014 1.00 25.00 C ATOM 1807 O GLY A 119 -6.883 19.605 -0.796 1.00 25.00 O ATOM 0 H GLY A 119 -6.044 21.838 -1.117 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.841 22.067 -1.058 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -8.357 21.449 -2.625 1.00 25.00 H new ATOM 1811 N ALA A 120 -9.103 19.553 -0.819 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.161 18.133 -0.406 1.00 25.00 C ATOM 1813 C ALA A 120 -10.480 17.547 -0.965 1.00 25.00 C ATOM 1814 O ALA A 120 -11.417 18.306 -1.199 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.067 18.074 1.087 1.00 25.00 C ATOM 0 H ALA A 120 -10.013 19.999 -0.931 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.336 17.538 -0.798 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.108 17.035 1.413 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.126 18.519 1.410 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -9.899 18.625 1.526 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.455 16.271 -1.204 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.637 15.522 -1.553 1.00 25.00 C ATOM 1823 C VAL A 121 -11.698 14.236 -0.750 1.00 25.00 C ATOM 1824 O VAL A 121 -10.729 13.428 -0.738 1.00 25.00 O ATOM 1825 CB VAL A 121 -11.678 15.001 -3.053 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -13.153 14.551 -3.372 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -11.299 16.031 -4.063 1.00 50.00 C ATOM 0 H VAL A 121 -9.605 15.708 -1.163 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.447 16.227 -1.367 1.00 25.00 H new ATOM 0 HB VAL A 121 -10.952 14.191 -3.124 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -13.209 14.188 -4.398 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -13.446 13.754 -2.689 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -13.827 15.399 -3.250 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -11.352 15.598 -5.062 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.985 16.875 -3.997 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -10.283 16.374 -3.869 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.754 14.041 0.040 1.00 25.00 N ATOM 1838 CA PRO A 122 -12.886 12.760 0.756 1.00 25.00 C ATOM 1839 C PRO A 122 -13.264 11.598 -0.160 1.00 25.00 C ATOM 1840 O PRO A 122 -13.954 11.728 -1.150 1.00 25.00 O ATOM 1841 CB PRO A 122 -13.904 13.083 1.812 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.796 14.136 1.096 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.894 15.002 0.243 1.00 25.00 C ATOM 0 HA PRO A 122 -11.951 12.398 1.184 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.473 12.203 2.112 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.442 13.486 2.713 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.548 13.644 0.479 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.331 14.744 1.826 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.363 15.301 -0.694 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.587 15.916 0.751 1.00 25.00 H new ATOM 1851 N HIS A 123 -12.843 10.427 0.286 1.00 25.00 N ATOM 1852 CA HIS A 123 -13.176 9.154 -0.368 1.00 25.00 C ATOM 1853 C HIS A 123 -14.413 8.626 0.377 1.00 25.00 C ATOM 1854 O HIS A 123 -14.352 7.496 0.897 1.00 25.00 O ATOM 1855 CB HIS A 123 -12.056 8.190 -0.270 1.00 25.00 C ATOM 1856 CG HIS A 123 -12.148 7.014 -1.188 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -13.324 6.609 -1.777 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -11.247 6.071 -1.607 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -13.156 5.532 -2.501 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -11.912 5.180 -2.417 1.00 25.00 N ATOM 0 H HIS A 123 -12.258 10.322 1.115 1.00 25.00 H new ATOM 0 HA HIS A 123 -13.367 9.291 -1.432 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -11.124 8.718 -0.473 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -11.999 7.826 0.756 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -10.199 6.034 -1.347 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -13.921 5.025 -3.070 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -11.493 4.372 -2.877 1.00 25.00 H new ATOM 1868 N ASP A 124 -15.432 9.446 0.497 1.00 25.00 N ATOM 1869 CA ASP A 124 -16.545 9.149 1.400 1.00 25.00 C ATOM 1870 C ASP A 124 -17.485 8.232 0.642 1.00 25.00 C ATOM 1871 O ASP A 124 -18.226 7.520 1.300 1.00 25.00 O ATOM 1872 CB ASP A 124 -17.215 10.455 1.842 1.00 25.00 C ATOM 1873 CG ASP A 124 -17.909 11.125 0.674 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -19.125 11.319 0.760 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -17.226 11.537 -0.314 1.00 50.00 O1- ATOM 0 H ASP A 124 -15.523 10.324 -0.014 1.00 25.00 H new ATOM 0 HA ASP A 124 -16.218 8.653 2.314 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -17.938 10.249 2.631 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -16.468 11.128 2.262 1.00 25.00 H new ATOM 1880 N GLY A 125 -17.420 8.262 -0.657 1.00 25.00 N ATOM 1881 CA GLY A 125 -18.322 7.543 -1.536 1.00 25.00 C ATOM 1882 C GLY A 125 -17.507 7.378 -2.781 1.00 25.00 C ATOM 1883 O GLY A 125 -16.383 7.810 -2.773 1.00 25.00 O ATOM 0 H GLY A 125 -16.717 8.804 -1.160 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -18.617 6.582 -1.115 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -19.238 8.104 -1.723 1.00 25.00 H new ATOM 1887 N SER A 126 -17.990 6.733 -3.839 1.00 25.00 N ATOM 1888 CA SER A 126 -17.305 6.713 -5.153 1.00 25.00 C ATOM 1889 C SER A 126 -18.058 7.195 -6.406 1.00 25.00 C ATOM 1890 O SER A 126 -18.207 6.484 -7.409 1.00 25.00 O ATOM 1891 CB SER A 126 -16.750 5.328 -5.308 1.00 25.00 C ATOM 1892 OG SER A 126 -15.983 5.080 -4.140 1.00 25.00 O ATOM 0 H SER A 126 -18.864 6.207 -3.823 1.00 25.00 H new ATOM 0 HA SER A 126 -16.545 7.493 -5.113 1.00 25.00 H new ATOM 0 HB2 SER A 126 -17.551 4.596 -5.411 1.00 25.00 H new ATOM 0 HB3 SER A 126 -16.133 5.253 -6.203 1.00 25.00 H new ATOM 0 HG SER A 126 -15.595 4.181 -4.188 1.00 25.00 H new ATOM 1898 N PRO A 127 -18.570 8.438 -6.424 1.00 25.00 N ATOM 1899 CA PRO A 127 -19.069 9.010 -7.707 1.00 25.00 C ATOM 1900 C PRO A 127 -17.860 9.392 -8.573 1.00 25.00 C ATOM 1901 O PRO A 127 -16.691 9.283 -8.161 1.00 25.00 O ATOM 1902 CB PRO A 127 -19.817 10.276 -7.261 1.00 25.00 C ATOM 1903 CG PRO A 127 -19.019 10.725 -6.060 1.00 25.00 C ATOM 1904 CD PRO A 127 -18.626 9.434 -5.378 1.00 25.00 C ATOM 0 HA PRO A 127 -19.695 8.331 -8.286 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -19.833 11.034 -8.044 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -20.854 10.064 -7.002 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -18.143 11.303 -6.356 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -19.612 11.360 -5.402 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -17.662 9.533 -4.880 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -19.353 9.158 -4.614 1.00 25.00 H new ATOM 1912 N ALA A 128 -18.102 9.842 -9.792 1.00 25.00 N ATOM 1913 CA ALA A 128 -17.052 10.276 -10.759 1.00 25.00 C ATOM 1914 C ALA A 128 -16.255 11.490 -10.282 1.00 25.00 C ATOM 1915 O ALA A 128 -15.130 11.676 -10.765 1.00 25.00 O ATOM 1916 CB ALA A 128 -17.645 10.570 -12.108 1.00 25.00 C ATOM 0 H ALA A 128 -19.047 9.926 -10.166 1.00 25.00 H new ATOM 0 HA ALA A 128 -16.360 9.437 -10.834 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -16.856 10.884 -12.792 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -18.127 9.673 -12.497 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -18.383 11.367 -12.015 1.00 25.00 H new ATOM 1922 N SER A 129 -16.701 12.196 -9.267 1.00 25.00 N ATOM 1923 CA SER A 129 -15.951 13.297 -8.653 1.00 25.00 C ATOM 1924 C SER A 129 -14.964 12.766 -7.600 1.00 25.00 C ATOM 1925 O SER A 129 -14.185 13.521 -7.114 1.00 25.00 O ATOM 1926 CB SER A 129 -16.889 14.343 -8.086 1.00 25.00 C ATOM 1927 OG SER A 129 -17.674 13.649 -7.097 1.00 25.00 O ATOM 0 H SER A 129 -17.607 12.028 -8.830 1.00 25.00 H new ATOM 0 HA SER A 129 -15.360 13.787 -9.427 1.00 25.00 H new ATOM 0 HB2 SER A 129 -16.335 15.169 -7.640 1.00 25.00 H new ATOM 0 HB3 SER A 129 -17.522 14.768 -8.865 1.00 25.00 H new ATOM 0 HG SER A 129 -18.307 14.273 -6.685 1.00 25.00 H new ATOM 1933 N ARG A 130 -14.936 11.486 -7.306 1.00 25.00 N ATOM 1934 CA ARG A 130 -13.930 10.924 -6.379 1.00 25.00 C ATOM 1935 C ARG A 130 -13.023 9.929 -7.105 1.00 25.00 C ATOM 1936 O ARG A 130 -12.474 8.990 -6.563 1.00 25.00 O ATOM 1937 CB ARG A 130 -14.694 10.184 -5.301 1.00 25.00 C ATOM 1938 CG ARG A 130 -14.998 11.034 -4.054 1.00 25.00 C ATOM 1939 CD ARG A 130 -15.837 12.223 -4.322 1.00 25.00 C ATOM 1940 NE ARG A 130 -16.269 12.821 -3.028 1.00 25.00 N ATOM 1941 CZ ARG A 130 -16.753 14.068 -2.926 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -16.799 14.962 -3.830 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -17.160 14.455 -1.768 1.00 25.00 N ATOM 0 H ARG A 130 -15.589 10.800 -7.685 1.00 25.00 H new ATOM 0 HA ARG A 130 -13.309 11.721 -5.970 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -15.633 9.822 -5.719 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -14.120 9.308 -5.000 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -15.499 10.409 -3.315 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -14.057 11.359 -3.611 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -15.277 12.954 -4.905 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -16.707 11.942 -4.915 1.00 25.00 H new ATOM 0 HE ARG A 130 -16.193 12.257 -2.181 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -16.439 14.763 -4.763 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -17.196 15.878 -3.621 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -17.107 13.821 -0.971 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -17.535 15.396 -1.647 1.00 25.00 H new ATOM 1957 N ASN A 131 -12.895 10.133 -8.437 1.00 25.00 N ATOM 1958 CA ASN A 131 -11.983 9.277 -9.256 1.00 25.00 C ATOM 1959 C ASN A 131 -10.596 9.608 -8.842 1.00 25.00 C ATOM 1960 O ASN A 131 -10.401 10.736 -8.365 1.00 25.00 O ATOM 1961 CB ASN A 131 -12.238 9.571 -10.705 1.00 25.00 C ATOM 1962 CG ASN A 131 -13.556 8.915 -11.226 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -14.092 8.055 -10.579 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -13.933 9.245 -12.469 1.00 25.00 N ATOM 0 H ASN A 131 -13.390 10.855 -8.960 1.00 25.00 H new ATOM 0 HA ASN A 131 -12.149 8.210 -9.106 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -12.291 10.650 -10.849 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -11.398 9.211 -11.299 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -14.712 8.757 -12.912 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -13.441 9.984 -12.972 1.00 25.00 H new ATOM 1971 N LEU A 132 -9.716 8.638 -8.937 1.00 25.00 N ATOM 1972 CA LEU A 132 -8.362 8.888 -8.539 1.00 25.00 C ATOM 1973 C LEU A 132 -7.499 9.707 -9.547 1.00 25.00 C ATOM 1974 O LEU A 132 -6.485 10.318 -9.169 1.00 25.00 O ATOM 1975 CB LEU A 132 -7.652 7.563 -8.240 1.00 25.00 C ATOM 1976 CG LEU A 132 -6.330 7.556 -7.441 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -6.329 8.556 -6.286 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -6.090 6.152 -6.920 1.00 75.00 C ATOM 0 H LEU A 132 -9.910 7.696 -9.277 1.00 25.00 H new ATOM 0 HA LEU A 132 -8.450 9.514 -7.651 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -8.359 6.931 -7.702 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -7.455 7.078 -9.196 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.527 7.863 -8.112 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -5.375 8.505 -5.762 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -6.476 9.563 -6.677 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -7.136 8.314 -5.595 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -5.160 6.129 -6.353 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -6.917 5.858 -6.274 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -6.021 5.459 -7.759 1.00 75.00 H new ATOM 1990 N SER A 133 -7.968 9.831 -10.781 1.00 25.00 N ATOM 1991 CA SER A 133 -7.345 10.730 -11.731 1.00 25.00 C ATOM 1992 C SER A 133 -7.902 12.070 -11.387 1.00 25.00 C ATOM 1993 O SER A 133 -9.083 12.277 -11.309 1.00 25.00 O ATOM 1994 CB SER A 133 -7.667 10.295 -13.132 1.00 25.00 C ATOM 1995 OG SER A 133 -7.050 11.005 -14.146 1.00 25.00 O ATOM 0 H SER A 133 -8.774 9.321 -11.143 1.00 25.00 H new ATOM 0 HA SER A 133 -6.256 10.742 -11.681 1.00 25.00 H new ATOM 0 HB2 SER A 133 -7.397 9.244 -13.236 1.00 25.00 H new ATOM 0 HB3 SER A 133 -8.746 10.363 -13.273 1.00 25.00 H new ATOM 0 HG SER A 133 -6.094 10.792 -14.160 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.018 13.036 -11.099 1.00 25.00 N ATOM 2002 CA HIS A 134 -7.430 14.381 -10.738 1.00 25.00 C ATOM 2003 C HIS A 134 -6.870 15.337 -11.772 1.00 25.00 C ATOM 2004 O HIS A 134 -5.748 15.180 -12.256 1.00 25.00 O ATOM 2005 CB HIS A 134 -6.884 14.674 -9.331 1.00 25.00 C ATOM 2006 CG HIS A 134 -7.320 13.738 -8.272 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -6.453 13.216 -7.384 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -8.512 13.199 -8.010 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -7.116 12.324 -6.635 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -8.349 12.355 -6.957 1.00 25.00 N ATOM 0 H HIS A 134 -6.007 12.899 -11.112 1.00 25.00 H new ATOM 0 HA HIS A 134 -8.514 14.494 -10.721 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -5.795 14.665 -9.374 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -7.184 15.683 -9.046 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -9.434 13.396 -8.536 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -6.678 11.685 -5.883 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -9.094 11.831 -6.498 1.00 25.00 H new ATOM 2018 N HIS A 135 -7.616 16.385 -12.020 1.00 25.00 N ATOM 2019 CA HIS A 135 -7.152 17.524 -12.908 1.00 25.00 C ATOM 2020 C HIS A 135 -6.932 18.738 -11.997 1.00 25.00 C ATOM 2021 O HIS A 135 -7.808 19.037 -11.130 1.00 25.00 O ATOM 2022 CB HIS A 135 -8.213 17.962 -13.996 1.00 25.00 C ATOM 2023 CG HIS A 135 -8.491 16.881 -14.985 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -7.693 16.738 -16.119 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -9.342 15.817 -14.973 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -7.968 15.573 -16.669 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -9.001 15.025 -16.033 1.00 25.00 N ATOM 0 H HIS A 135 -8.554 16.512 -11.639 1.00 25.00 H new ATOM 0 HA HIS A 135 -6.260 17.184 -13.434 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -9.142 18.245 -13.501 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -7.849 18.846 -14.520 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -10.134 15.635 -14.262 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -7.440 15.133 -17.502 1.00 25.00 H new ATOM 0 HE2 HIS A 135 -9.463 14.154 -16.295 1.00 25.00 H new ATOM 2035 N ILE A 136 -5.843 19.479 -12.173 1.00 25.00 N ATOM 2036 CA ILE A 136 -5.595 20.686 -11.342 1.00 25.00 C ATOM 2037 C ILE A 136 -5.217 21.766 -12.316 1.00 25.00 C ATOM 2038 O ILE A 136 -4.375 21.506 -13.185 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.409 20.464 -10.322 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -4.626 19.168 -9.444 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -4.202 21.736 -9.528 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -5.865 19.106 -8.524 1.00 25.00 C ATOM 0 H ILE A 136 -5.121 19.283 -12.866 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.476 20.933 -10.750 1.00 25.00 H new ATOM 0 HB ILE A 136 -3.481 20.265 -10.859 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -4.670 18.313 -10.119 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -3.742 19.037 -8.820 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -3.385 21.594 -8.820 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -3.956 22.553 -10.207 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -5.115 21.978 -8.984 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -5.873 18.157 -7.988 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -5.828 19.927 -7.807 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -6.770 19.191 -9.126 1.00 25.00 H new ATOM 2054 N TYR A 137 -5.895 22.895 -12.213 1.00 25.00 N ATOM 2055 CA TYR A 137 -5.513 24.086 -12.910 1.00 25.00 C ATOM 2056 C TYR A 137 -4.350 24.800 -12.216 1.00 25.00 C ATOM 2057 O TYR A 137 -4.441 25.142 -11.012 1.00 25.00 O ATOM 2058 CB TYR A 137 -6.756 24.966 -13.145 1.00 25.00 C ATOM 2059 CG TYR A 137 -6.515 26.148 -14.078 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -6.455 27.428 -13.600 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -6.375 25.882 -15.450 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -6.151 28.554 -14.522 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -6.084 26.985 -16.400 1.00 25.00 C ATOM 2064 CZ TYR A 137 -5.919 28.255 -15.861 1.00 25.00 C ATOM 2065 OH TYR A 137 -5.502 29.238 -16.682 1.00 25.00 O ATOM 0 H TYR A 137 -6.730 23.000 -11.637 1.00 25.00 H new ATOM 0 HA TYR A 137 -5.121 23.829 -13.894 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -7.553 24.348 -13.558 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -7.109 25.341 -12.184 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -6.629 27.621 -12.552 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.479 24.871 -15.815 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -6.111 29.572 -14.164 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -6.004 26.808 -17.462 1.00 25.00 H new ATOM 0 HH TYR A 137 -5.381 28.880 -17.586 1.00 25.00 H new ATOM 2075 N ILE A 138 -3.391 25.178 -13.019 1.00 25.00 N ATOM 2076 CA ILE A 138 -2.270 25.994 -12.603 1.00 25.00 C ATOM 2077 C ILE A 138 -2.384 27.324 -13.336 1.00 25.00 C ATOM 2078 O ILE A 138 -2.571 27.239 -14.559 1.00 25.00 O ATOM 2079 CB ILE A 138 -0.897 25.338 -13.030 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -0.785 23.919 -12.479 1.00 25.00 C ATOM 2081 CG2 ILE A 138 0.330 26.193 -12.577 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -0.796 23.756 -10.842 1.00 25.00 C ATOM 0 H ILE A 138 -3.363 24.923 -14.006 1.00 25.00 H new ATOM 0 HA ILE A 138 -2.290 26.104 -11.519 1.00 25.00 H new ATOM 0 HB ILE A 138 -0.885 25.299 -14.119 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -1.608 23.331 -12.884 1.00 25.00 H new ATOM 0 HG13 ILE A 138 0.138 23.479 -12.858 1.00 25.00 H new ATOM 0 HG21 ILE A 138 1.251 25.703 -12.892 1.00 25.00 H new ATOM 0 HG22 ILE A 138 0.272 27.182 -13.031 1.00 25.00 H new ATOM 0 HG23 ILE A 138 0.324 26.291 -11.491 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -0.711 22.701 -10.581 1.00 25.00 H new ATOM 0 HD12 ILE A 138 0.044 24.305 -10.416 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -1.729 24.154 -10.443 1.00 25.00 H new ATOM 2094 N PRO A 139 -2.377 28.492 -12.659 1.00 25.00 N ATOM 2095 CA PRO A 139 -2.477 29.670 -13.523 1.00 25.00 C ATOM 2096 C PRO A 139 -1.260 29.925 -14.384 1.00 25.00 C ATOM 2097 O PRO A 139 -0.129 29.569 -14.053 1.00 25.00 O ATOM 2098 CB PRO A 139 -2.865 30.769 -12.547 1.00 25.00 C ATOM 2099 CG PRO A 139 -2.058 30.456 -11.375 1.00 25.00 C ATOM 2100 CD PRO A 139 -2.191 28.943 -11.287 1.00 25.00 C ATOM 0 HA PRO A 139 -3.217 29.566 -14.317 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -2.639 31.760 -12.942 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -3.931 30.752 -12.321 1.00 25.00 H new ATOM 0 HG2 PRO A 139 -1.021 30.767 -11.500 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -2.433 30.950 -10.479 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -1.302 28.495 -10.843 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -3.037 28.658 -10.662 1.00 25.00 H new ATOM 2108 N GLU A 140 -1.547 30.555 -15.518 1.00 25.00 N ATOM 2109 CA GLU A 140 -0.560 30.797 -16.618 1.00 25.00 C ATOM 2110 C GLU A 140 -0.104 32.233 -16.659 1.00 25.00 C ATOM 2111 O GLU A 140 0.840 32.545 -17.365 1.00 25.00 O ATOM 2112 CB GLU A 140 -1.320 30.348 -17.879 1.00 25.00 C ATOM 2113 CG GLU A 140 -0.487 30.191 -19.123 1.00 25.00 C ATOM 2114 CD GLU A 140 -1.300 29.586 -20.218 1.00 25.00 C ATOM 2115 OE1 GLU A 140 -1.574 30.172 -21.272 1.00 25.00 O ATOM 2116 OE2 GLU A 140 -1.581 28.362 -20.083 1.00 25.00 O1- ATOM 0 H GLU A 140 -2.476 30.924 -15.723 1.00 25.00 H new ATOM 0 HA GLU A 140 0.374 30.248 -16.495 1.00 25.00 H new ATOM 0 HB2 GLU A 140 -1.807 29.396 -17.668 1.00 25.00 H new ATOM 0 HB3 GLU A 140 -2.110 31.072 -18.082 1.00 25.00 H new ATOM 0 HG2 GLU A 140 -0.105 31.162 -19.438 1.00 25.00 H new ATOM 0 HG3 GLU A 140 0.378 29.562 -18.913 1.00 25.00 H new ATOM 2123 N ASP A 141 -0.778 33.041 -15.838 1.00 25.00 N ATOM 2124 CA ASP A 141 -0.426 34.487 -15.740 1.00 25.00 C ATOM 2125 C ASP A 141 0.860 34.813 -14.947 1.00 25.00 C ATOM 2126 O ASP A 141 1.228 35.936 -14.845 1.00 25.00 O ATOM 2127 CB ASP A 141 -1.598 35.296 -15.285 1.00 25.00 C ATOM 2128 CG ASP A 141 -1.762 35.265 -13.779 1.00 25.00 C ATOM 2129 OD1 ASP A 141 -1.648 34.161 -13.148 1.00 50.00 O ATOM 2130 OD2 ASP A 141 -2.079 36.369 -13.175 1.00 50.00 O1- ATOM 0 H ASP A 141 -1.551 32.745 -15.241 1.00 25.00 H new ATOM 0 HA ASP A 141 -0.171 34.782 -16.758 1.00 25.00 H new ATOM 0 HB2 ASP A 141 -1.476 36.328 -15.615 1.00 25.00 H new ATOM 0 HB3 ASP A 141 -2.505 34.916 -15.756 1.00 25.00 H new ATOM 2135 N ARG A 142 1.558 33.847 -14.376 1.00 25.00 N ATOM 2136 CA ARG A 142 2.672 34.095 -13.496 1.00 25.00 C ATOM 2137 C ARG A 142 3.788 33.104 -13.683 1.00 25.00 C ATOM 2138 O ARG A 142 3.526 32.121 -14.325 1.00 25.00 O ATOM 2139 CB ARG A 142 2.170 34.016 -12.045 1.00 25.00 C ATOM 2140 CG ARG A 142 1.552 32.699 -11.528 1.00 25.00 C ATOM 2141 CD ARG A 142 0.783 32.922 -10.249 1.00 25.00 C ATOM 2142 NE ARG A 142 -0.424 33.577 -10.565 1.00 25.00 N ATOM 2143 CZ ARG A 142 -1.323 34.068 -9.719 1.00 25.00 C ATOM 2144 NH1 ARG A 142 -2.329 34.784 -10.178 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 -1.320 33.786 -8.444 1.00 25.00 N ATOM 0 H ARG A 142 1.359 32.857 -14.517 1.00 25.00 H new ATOM 0 HA ARG A 142 3.072 35.082 -13.730 1.00 25.00 H new ATOM 0 HB2 ARG A 142 3.010 34.261 -11.395 1.00 25.00 H new ATOM 0 HB3 ARG A 142 1.425 34.801 -11.913 1.00 25.00 H new ATOM 0 HG2 ARG A 142 0.889 32.283 -12.286 1.00 25.00 H new ATOM 0 HG3 ARG A 142 2.341 31.966 -11.358 1.00 25.00 H new ATOM 0 HD2 ARG A 142 0.581 31.971 -9.757 1.00 25.00 H new ATOM 0 HD3 ARG A 142 1.370 33.522 -9.553 1.00 25.00 H new ATOM 0 HE ARG A 142 -0.631 33.687 -11.558 1.00 25.00 H new ATOM 0 HH11 ARG A 142 -2.415 34.959 -11.179 1.00 25.00 H new ATOM 0 HH12 ARG A 142 -3.022 35.163 -9.532 1.00 25.00 H new ATOM 0 HH21 ARG A 142 -0.607 33.165 -8.061 1.00 25.00 H new ATOM 0 HH22 ARG A 142 -2.031 34.186 -7.831 1.00 25.00 H new ATOM 2159 N LEU A 143 4.974 33.364 -13.162 1.00 25.00 N ATOM 2160 CA LEU A 143 6.097 32.449 -13.244 1.00 25.00 C ATOM 2161 C LEU A 143 6.516 32.361 -11.775 1.00 25.00 C ATOM 2162 O LEU A 143 6.427 33.330 -11.081 1.00 25.00 O ATOM 2163 CB LEU A 143 7.217 32.927 -14.203 1.00 25.00 C ATOM 2164 CG LEU A 143 7.041 33.124 -15.704 1.00 25.00 C ATOM 2165 CD1 LEU A 143 6.047 34.114 -16.150 1.00 50.00 C ATOM 2166 CD2 LEU A 143 8.439 33.467 -16.314 1.00 50.00 C ATOM 0 H LEU A 143 5.186 34.228 -12.664 1.00 25.00 H new ATOM 0 HA LEU A 143 5.853 31.481 -13.681 1.00 25.00 H new ATOM 0 HB2 LEU A 143 7.562 33.884 -13.811 1.00 25.00 H new ATOM 0 HB3 LEU A 143 8.038 32.219 -14.085 1.00 25.00 H new ATOM 0 HG LEU A 143 6.628 32.182 -16.064 1.00 25.00 H new ATOM 0 HD11 LEU A 143 6.030 34.147 -17.239 1.00 50.00 H new ATOM 0 HD12 LEU A 143 5.061 33.832 -15.780 1.00 50.00 H new ATOM 0 HD13 LEU A 143 6.313 35.097 -15.761 1.00 50.00 H new ATOM 0 HD21 LEU A 143 8.341 33.613 -17.390 1.00 50.00 H new ATOM 0 HD22 LEU A 143 8.821 34.380 -15.857 1.00 50.00 H new ATOM 0 HD23 LEU A 143 9.131 32.647 -16.121 1.00 50.00 H new ATOM 2178 N GLY A 144 7.013 31.186 -11.372 1.00 25.00 N ATOM 2179 CA GLY A 144 7.810 31.013 -10.146 1.00 25.00 C ATOM 2180 C GLY A 144 7.794 29.738 -9.401 1.00 25.00 C ATOM 2181 O GLY A 144 6.994 28.863 -9.587 1.00 25.00 O ATOM 0 H GLY A 144 6.874 30.319 -11.891 1.00 25.00 H new ATOM 0 HA2 GLY A 144 8.848 31.216 -10.409 1.00 25.00 H new ATOM 0 HA3 GLY A 144 7.499 31.793 -9.451 1.00 25.00 H new ATOM 2185 N TYR A 145 8.642 29.704 -8.400 1.00 25.00 N ATOM 2186 CA TYR A 145 8.878 28.504 -7.584 1.00 25.00 C ATOM 2187 C TYR A 145 7.805 28.340 -6.475 1.00 25.00 C ATOM 2188 O TYR A 145 7.476 29.274 -5.783 1.00 25.00 O ATOM 2189 CB TYR A 145 10.292 28.658 -6.976 1.00 25.00 C ATOM 2190 CG TYR A 145 10.650 27.747 -5.826 1.00 25.00 C ATOM 2191 CD1 TYR A 145 10.888 28.298 -4.514 1.00 50.00 C ATOM 2192 CD2 TYR A 145 10.657 26.303 -5.950 1.00 50.00 C ATOM 2193 CE1 TYR A 145 11.256 27.513 -3.401 1.00 25.00 C ATOM 2194 CE2 TYR A 145 10.905 25.525 -4.822 1.00 25.00 C ATOM 2195 CZ TYR A 145 11.255 26.147 -3.583 1.00 25.00 C ATOM 2196 OH TYR A 145 11.583 25.292 -2.526 1.00 25.00 O ATOM 0 H TYR A 145 9.200 30.509 -8.115 1.00 25.00 H new ATOM 0 HA TYR A 145 8.809 27.605 -8.197 1.00 25.00 H new ATOM 0 HB2 TYR A 145 11.021 28.501 -7.771 1.00 25.00 H new ATOM 0 HB3 TYR A 145 10.405 29.688 -6.639 1.00 25.00 H new ATOM 0 HD1 TYR A 145 10.779 29.364 -4.377 1.00 50.00 H new ATOM 0 HD2 TYR A 145 10.472 25.836 -6.906 1.00 50.00 H new ATOM 0 HE1 TYR A 145 11.525 27.960 -2.455 1.00 25.00 H new ATOM 0 HE2 TYR A 145 10.833 24.449 -4.883 1.00 25.00 H new ATOM 0 HH TYR A 145 11.531 24.362 -2.830 1.00 25.00 H new ATOM 2206 N HIS A 146 7.416 27.060 -6.285 1.00 25.00 N ATOM 2207 CA HIS A 146 6.431 26.654 -5.253 1.00 25.00 C ATOM 2208 C HIS A 146 6.845 25.221 -4.842 1.00 25.00 C ATOM 2209 O HIS A 146 7.594 24.586 -5.528 1.00 25.00 O ATOM 2210 CB HIS A 146 4.976 26.645 -5.733 1.00 25.00 C ATOM 2211 CG HIS A 146 4.461 27.982 -6.130 1.00 25.00 C ATOM 2212 ND1 HIS A 146 3.889 28.863 -5.240 1.00 25.00 N ATOM 2213 CD2 HIS A 146 4.428 28.626 -7.321 1.00 25.00 C ATOM 2214 CE1 HIS A 146 3.658 30.003 -5.833 1.00 25.00 C ATOM 2215 NE2 HIS A 146 3.982 29.891 -7.112 1.00 25.00 N ATOM 0 H HIS A 146 7.773 26.281 -6.839 1.00 25.00 H new ATOM 0 HA HIS A 146 6.451 27.377 -4.437 1.00 25.00 H new ATOM 0 HB2 HIS A 146 4.889 25.967 -6.582 1.00 25.00 H new ATOM 0 HB3 HIS A 146 4.345 26.245 -4.939 1.00 25.00 H new ATOM 0 HD1 HIS A 146 3.677 28.656 -4.264 1.00 25.00 H new ATOM 0 HD2 HIS A 146 4.709 28.205 -8.275 1.00 25.00 H new ATOM 0 HE1 HIS A 146 3.267 30.891 -5.359 1.00 25.00 H new ATOM 2223 N VAL A 147 6.338 24.676 -3.742 1.00 25.00 N ATOM 2224 CA VAL A 147 6.496 23.208 -3.413 1.00 25.00 C ATOM 2225 C VAL A 147 5.055 22.718 -3.207 1.00 25.00 C ATOM 2226 O VAL A 147 4.294 23.500 -2.629 1.00 25.00 O ATOM 2227 CB VAL A 147 7.289 23.071 -2.071 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.793 21.613 -1.888 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.506 23.961 -2.036 1.00 50.00 C ATOM 0 H VAL A 147 5.810 25.202 -3.046 1.00 25.00 H new ATOM 0 HA VAL A 147 7.028 22.648 -4.182 1.00 25.00 H new ATOM 0 HB VAL A 147 6.598 23.359 -1.279 1.00 25.00 H new ATOM 0 HG11 VAL A 147 8.343 21.533 -0.950 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.941 20.933 -1.868 1.00 50.00 H new ATOM 0 HG13 VAL A 147 8.449 21.348 -2.717 1.00 50.00 H new ATOM 0 HG21 VAL A 147 9.024 23.832 -1.086 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.176 23.694 -2.854 1.00 50.00 H new ATOM 0 HG23 VAL A 147 8.199 25.001 -2.143 1.00 50.00 H new ATOM 2239 N ILE A 148 4.687 21.532 -3.641 1.00 25.00 N ATOM 2240 CA ILE A 148 3.304 21.006 -3.581 1.00 25.00 C ATOM 2241 C ILE A 148 3.321 19.655 -2.914 1.00 25.00 C ATOM 2242 O ILE A 148 4.166 18.859 -3.303 1.00 25.00 O ATOM 2243 CB ILE A 148 2.607 20.819 -4.957 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.404 22.226 -5.596 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.233 20.127 -4.842 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.048 22.090 -7.052 1.00 25.00 C ATOM 0 H ILE A 148 5.345 20.875 -4.060 1.00 25.00 H new ATOM 0 HA ILE A 148 2.739 21.759 -3.031 1.00 25.00 H new ATOM 0 HB ILE A 148 3.244 20.180 -5.569 1.00 25.00 H new ATOM 0 HG12 ILE A 148 1.614 22.762 -5.070 1.00 25.00 H new ATOM 0 HG13 ILE A 148 3.314 22.816 -5.490 1.00 25.00 H new ATOM 0 HG21 ILE A 148 0.794 20.023 -5.834 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.359 19.140 -4.396 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.575 20.728 -4.215 1.00 25.00 H new ATOM 0 HD11 ILE A 148 1.909 23.080 -7.487 1.00 25.00 H new ATOM 0 HD12 ILE A 148 2.852 21.573 -7.576 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.125 21.518 -7.149 1.00 25.00 H new ATOM 2258 N LEU A 149 2.425 19.495 -1.981 1.00 25.00 N ATOM 2259 CA LEU A 149 2.282 18.285 -1.188 1.00 25.00 C ATOM 2260 C LEU A 149 0.998 17.538 -1.572 1.00 25.00 C ATOM 2261 O LEU A 149 -0.059 18.153 -1.888 1.00 25.00 O ATOM 2262 CB LEU A 149 2.277 18.580 0.297 1.00 25.00 C ATOM 2263 CG LEU A 149 3.469 19.253 1.058 1.00 25.00 C ATOM 2264 CD1 LEU A 149 3.659 20.723 0.876 1.00 50.00 C ATOM 2265 CD2 LEU A 149 3.234 18.945 2.497 1.00 50.00 C ATOM 0 H LEU A 149 1.749 20.219 -1.736 1.00 25.00 H new ATOM 0 HA LEU A 149 3.146 17.656 -1.403 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.405 19.208 0.480 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.095 17.628 0.796 1.00 25.00 H new ATOM 0 HG LEU A 149 4.391 18.848 0.641 1.00 25.00 H new ATOM 0 HD11 LEU A 149 4.518 21.054 1.459 1.00 50.00 H new ATOM 0 HD12 LEU A 149 3.831 20.940 -0.178 1.00 50.00 H new ATOM 0 HD13 LEU A 149 2.767 21.250 1.214 1.00 50.00 H new ATOM 0 HD21 LEU A 149 4.030 19.384 3.098 1.00 50.00 H new ATOM 0 HD22 LEU A 149 2.275 19.360 2.806 1.00 50.00 H new ATOM 0 HD23 LEU A 149 3.225 17.865 2.641 1.00 50.00 H new ATOM 2277 N ALA A 150 1.073 16.228 -1.652 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.112 15.359 -1.910 1.00 25.00 C ATOM 2279 C ALA A 150 -0.192 14.182 -0.920 1.00 25.00 C ATOM 2280 O ALA A 150 0.800 13.419 -0.824 1.00 25.00 O ATOM 2281 CB ALA A 150 0.143 14.797 -3.341 1.00 25.00 C ATOM 0 H ALA A 150 1.945 15.711 -1.544 1.00 25.00 H new ATOM 0 HA ALA A 150 -1.043 15.916 -1.805 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -0.679 14.141 -3.626 1.00 25.00 H new ATOM 0 HB2 ALA A 150 0.211 15.623 -4.049 1.00 25.00 H new ATOM 0 HB3 ALA A 150 1.076 14.234 -3.350 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.240 14.167 -0.120 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.266 13.346 1.091 1.00 25.00 C ATOM 2289 C VAL A 151 -2.568 12.519 1.096 1.00 25.00 C ATOM 2290 O VAL A 151 -3.632 13.119 1.056 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.216 14.210 2.365 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -0.902 13.280 3.613 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -0.101 15.249 2.237 1.00 50.00 C ATOM 0 H VAL A 151 -2.088 14.711 -0.280 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.389 12.699 1.088 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.175 14.711 2.499 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -0.865 13.886 4.518 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -1.684 12.527 3.712 1.00 50.00 H new ATOM 0 HG13 VAL A 151 0.059 12.787 3.467 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -0.067 15.859 3.139 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.855 14.742 2.106 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -0.295 15.887 1.375 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.502 11.231 1.250 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.664 10.398 1.290 1.00 25.00 C ATOM 2305 C TRP A 152 -3.811 9.639 2.610 1.00 25.00 C ATOM 2306 O TRP A 152 -2.940 8.795 2.916 1.00 25.00 O ATOM 2307 CB TRP A 152 -3.546 9.416 0.099 1.00 25.00 C ATOM 2308 CG TRP A 152 -4.842 8.728 -0.241 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -5.984 8.733 0.521 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -5.163 7.894 -1.361 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -7.014 8.141 -0.146 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -6.547 7.509 -1.245 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -4.473 7.518 -2.526 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -7.147 6.699 -2.193 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -5.097 6.687 -3.465 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -6.396 6.238 -3.300 1.00 25.00 C ATOM 0 H TRP A 152 -1.624 10.722 1.353 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.558 11.017 1.216 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -3.192 9.960 -0.777 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.794 8.662 0.332 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -6.056 9.150 1.515 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -7.992 8.171 0.142 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -3.466 7.868 -2.697 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -8.185 6.420 -2.088 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -4.548 6.387 -4.345 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -6.830 5.546 -4.006 1.00 25.00 H new ATOM 2327 N ASP A 153 -4.792 10.055 3.388 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.074 9.613 4.750 1.00 25.00 C ATOM 2329 C ASP A 153 -5.635 8.136 4.721 1.00 25.00 C ATOM 2330 O ASP A 153 -6.668 7.830 4.125 1.00 25.00 O ATOM 2331 CB ASP A 153 -5.977 10.583 5.476 1.00 25.00 C ATOM 2332 CG ASP A 153 -6.219 10.241 6.917 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -5.246 9.714 7.560 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -7.309 10.534 7.518 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.460 10.757 3.069 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.148 9.601 5.325 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -5.540 11.580 5.420 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -6.936 10.626 4.959 1.00 25.00 H new ATOM 2339 N VAL A 154 -4.889 7.191 5.327 1.00 25.00 N ATOM 2340 CA VAL A 154 -5.268 5.749 5.335 1.00 25.00 C ATOM 2341 C VAL A 154 -6.160 5.551 6.525 1.00 25.00 C ATOM 2342 O VAL A 154 -5.947 6.131 7.584 1.00 25.00 O ATOM 2343 CB VAL A 154 -4.058 4.839 5.367 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -4.457 3.371 5.291 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -3.155 5.139 4.127 1.00 50.00 C ATOM 0 H VAL A 154 -4.019 7.393 5.820 1.00 25.00 H new ATOM 0 HA VAL A 154 -5.789 5.483 4.416 1.00 25.00 H new ATOM 0 HB VAL A 154 -3.534 5.024 6.305 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -3.562 2.749 5.317 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -5.096 3.123 6.139 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -4.999 3.189 4.363 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -2.282 4.486 4.146 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -3.721 4.961 3.213 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -2.830 6.179 4.156 1.00 50.00 H new ATOM 2355 N ALA A 155 -7.259 4.795 6.322 1.00 25.00 N ATOM 2356 CA ALA A 155 -8.271 4.615 7.331 1.00 25.00 C ATOM 2357 C ALA A 155 -8.145 3.388 8.165 1.00 25.00 C ATOM 2358 O ALA A 155 -8.708 3.353 9.264 1.00 25.00 O ATOM 2359 CB ALA A 155 -9.610 4.536 6.704 1.00 25.00 C ATOM 0 H ALA A 155 -7.450 4.302 5.450 1.00 25.00 H new ATOM 0 HA ALA A 155 -8.136 5.481 7.980 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -10.366 4.400 7.477 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -9.811 5.458 6.158 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -9.640 3.692 6.015 1.00 25.00 H new ATOM 2365 N ASP A 156 -7.507 2.325 7.678 1.00 25.00 N ATOM 2366 CA ASP A 156 -7.375 1.084 8.469 1.00 25.00 C ATOM 2367 C ASP A 156 -6.042 0.975 9.201 1.00 25.00 C ATOM 2368 O ASP A 156 -5.716 -0.012 9.859 1.00 25.00 O ATOM 2369 CB ASP A 156 -7.613 -0.145 7.626 1.00 25.00 C ATOM 2370 CG ASP A 156 -6.418 -0.409 6.699 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -5.985 -1.568 6.690 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -5.929 0.471 5.992 1.00 25.00 O1- ATOM 0 H ASP A 156 -7.076 2.288 6.754 1.00 25.00 H new ATOM 0 HA ASP A 156 -8.153 1.141 9.230 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -7.776 -1.008 8.271 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -8.518 -0.015 7.032 1.00 25.00 H new ATOM 2377 N THR A 157 -5.223 2.041 9.138 1.00 25.00 N ATOM 2378 CA THR A 157 -3.921 2.122 9.833 1.00 25.00 C ATOM 2379 C THR A 157 -3.864 3.590 10.370 1.00 25.00 C ATOM 2380 O THR A 157 -4.813 4.322 10.113 1.00 25.00 O ATOM 2381 CB THR A 157 -2.623 1.785 8.932 1.00 25.00 C ATOM 2382 OG1 THR A 157 -2.319 2.829 7.992 1.00 25.00 O ATOM 2383 CG2 THR A 157 -2.772 0.563 8.137 1.00 25.00 C ATOM 0 H THR A 157 -5.446 2.878 8.600 1.00 25.00 H new ATOM 0 HA THR A 157 -3.875 1.357 10.608 1.00 25.00 H new ATOM 0 HB THR A 157 -1.826 1.669 9.666 1.00 25.00 H new ATOM 0 HG1 THR A 157 -1.526 2.580 7.472 1.00 25.00 H new ATOM 0 HG21 THR A 157 -1.866 0.395 7.555 1.00 25.00 H new ATOM 0 HG22 THR A 157 -2.940 -0.285 8.801 1.00 25.00 H new ATOM 0 HG23 THR A 157 -3.621 0.669 7.462 1.00 25.00 H new ATOM 2391 N GLU A 158 -2.779 3.960 10.988 1.00 25.00 N ATOM 2392 CA GLU A 158 -2.576 5.287 11.568 1.00 25.00 C ATOM 2393 C GLU A 158 -1.866 6.102 10.556 1.00 25.00 C ATOM 2394 O GLU A 158 -1.710 7.320 10.767 1.00 25.00 O ATOM 2395 CB GLU A 158 -1.803 5.047 12.848 1.00 25.00 C ATOM 2396 CG GLU A 158 -2.610 5.284 14.106 1.00 25.00 C ATOM 2397 CD GLU A 158 -3.789 4.361 14.175 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -3.659 3.118 14.045 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -4.901 4.888 14.412 1.00 25.00 O1- ATOM 0 H GLU A 158 -1.979 3.340 11.114 1.00 25.00 H new ATOM 0 HA GLU A 158 -3.483 5.837 11.818 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -1.436 4.021 12.852 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -0.929 5.698 12.861 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -1.977 5.136 14.981 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -2.953 6.318 14.132 1.00 25.00 H new ATOM 2406 N ASN A 159 -1.411 5.487 9.409 1.00 25.00 N ATOM 2407 CA ASN A 159 -0.537 6.178 8.477 1.00 25.00 C ATOM 2408 C ASN A 159 -1.211 7.049 7.433 1.00 25.00 C ATOM 2409 O ASN A 159 -2.405 7.167 7.392 1.00 25.00 O ATOM 2410 CB ASN A 159 0.393 5.219 7.852 1.00 25.00 C ATOM 2411 CG ASN A 159 1.863 5.534 8.094 1.00 25.00 C ATOM 2412 OD1 ASN A 159 2.322 6.682 8.115 1.00 25.00 O ATOM 2413 ND2 ASN A 159 2.563 4.574 8.445 1.00 25.00 N ATOM 0 H ASN A 159 -1.648 4.532 9.140 1.00 25.00 H new ATOM 0 HA ASN A 159 0.005 6.898 9.090 1.00 25.00 H new ATOM 0 HB2 ASN A 159 0.179 4.220 8.232 1.00 25.00 H new ATOM 0 HB3 ASN A 159 0.209 5.197 6.778 1.00 25.00 H new ATOM 0 HD21 ASN A 159 3.523 4.729 8.753 1.00 25.00 H new ATOM 0 HD22 ASN A 159 2.179 3.629 8.426 1.00 25.00 H new ATOM 2420 N ALA A 160 -0.402 7.711 6.643 1.00 25.00 N ATOM 2421 CA ALA A 160 -0.950 8.357 5.424 1.00 25.00 C ATOM 2422 C ALA A 160 0.192 8.347 4.325 1.00 25.00 C ATOM 2423 O ALA A 160 1.383 8.428 4.701 1.00 25.00 O ATOM 2424 CB ALA A 160 -1.439 9.758 5.701 1.00 25.00 C ATOM 0 H ALA A 160 0.600 7.828 6.791 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.820 7.804 5.070 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -1.832 10.194 4.783 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -2.227 9.726 6.454 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -0.612 10.366 6.067 1.00 25.00 H new ATOM 2430 N PHE A 161 -0.188 8.222 3.050 1.00 25.00 N ATOM 2431 CA PHE A 161 0.744 8.241 1.902 1.00 25.00 C ATOM 2432 C PHE A 161 1.077 9.667 1.662 1.00 25.00 C ATOM 2433 O PHE A 161 0.159 10.443 1.635 1.00 25.00 O ATOM 2434 CB PHE A 161 0.050 7.638 0.677 1.00 25.00 C ATOM 2435 CG PHE A 161 -0.258 6.187 0.836 1.00 25.00 C ATOM 2436 CD1 PHE A 161 -1.577 5.703 0.811 1.00 50.00 C ATOM 2437 CD2 PHE A 161 0.803 5.213 0.966 1.00 50.00 C ATOM 2438 CE1 PHE A 161 -1.893 4.291 1.069 1.00 25.00 C ATOM 2439 CE2 PHE A 161 0.520 3.784 1.193 1.00 25.00 C ATOM 2440 CZ PHE A 161 -0.826 3.328 1.261 1.00 25.00 C ATOM 0 H PHE A 161 -1.163 8.103 2.775 1.00 25.00 H new ATOM 0 HA PHE A 161 1.645 7.659 2.096 1.00 25.00 H new ATOM 0 HB2 PHE A 161 -0.876 8.181 0.487 1.00 25.00 H new ATOM 0 HB3 PHE A 161 0.686 7.775 -0.198 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -2.383 6.389 0.596 1.00 50.00 H new ATOM 0 HD2 PHE A 161 1.830 5.541 0.895 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -2.923 3.970 1.116 1.00 25.00 H new ATOM 0 HE2 PHE A 161 1.334 3.084 1.308 1.00 25.00 H new ATOM 0 HZ PHE A 161 -1.048 2.288 1.451 1.00 25.00 H new ATOM 2450 N TYR A 162 2.321 10.005 1.473 1.00 25.00 N ATOM 2451 CA TYR A 162 2.838 11.355 1.378 1.00 25.00 C ATOM 2452 C TYR A 162 3.845 11.470 0.234 1.00 25.00 C ATOM 2453 O TYR A 162 4.830 10.730 0.184 1.00 25.00 O ATOM 2454 CB TYR A 162 3.539 11.691 2.707 1.00 25.00 C ATOM 2455 CG TYR A 162 4.154 13.087 2.847 1.00 25.00 C ATOM 2456 CD1 TYR A 162 5.481 13.296 2.392 1.00 50.00 C ATOM 2457 CD2 TYR A 162 3.495 14.167 3.468 1.00 50.00 C ATOM 2458 CE1 TYR A 162 6.135 14.513 2.547 1.00 25.00 C ATOM 2459 CE2 TYR A 162 4.133 15.377 3.655 1.00 25.00 C ATOM 2460 CZ TYR A 162 5.465 15.584 3.182 1.00 25.00 C ATOM 2461 OH TYR A 162 6.037 16.823 3.383 1.00 25.00 O ATOM 0 H TYR A 162 3.055 9.304 1.374 1.00 25.00 H new ATOM 0 HA TYR A 162 2.018 12.046 1.183 1.00 25.00 H new ATOM 0 HB2 TYR A 162 2.816 11.559 3.512 1.00 25.00 H new ATOM 0 HB3 TYR A 162 4.329 10.957 2.866 1.00 25.00 H new ATOM 0 HD1 TYR A 162 6.001 12.482 1.909 1.00 50.00 H new ATOM 0 HD2 TYR A 162 2.475 14.046 3.803 1.00 50.00 H new ATOM 0 HE1 TYR A 162 7.145 14.639 2.186 1.00 25.00 H new ATOM 0 HE2 TYR A 162 3.618 16.178 4.166 1.00 25.00 H new ATOM 0 HH TYR A 162 5.397 17.409 3.838 1.00 25.00 H new ATOM 2471 N GLN A 163 3.623 12.353 -0.700 1.00 25.00 N ATOM 2472 CA GLN A 163 4.576 12.516 -1.768 1.00 25.00 C ATOM 2473 C GLN A 163 4.594 14.008 -2.005 1.00 25.00 C ATOM 2474 O GLN A 163 3.580 14.667 -1.766 1.00 25.00 O ATOM 2475 CB GLN A 163 4.160 11.723 -3.010 1.00 25.00 C ATOM 2476 CG GLN A 163 2.717 11.535 -3.297 1.00 25.00 C ATOM 2477 CD GLN A 163 2.148 10.359 -2.537 1.00 25.00 C ATOM 2478 OE1 GLN A 163 2.603 9.168 -2.565 1.00 25.00 O ATOM 2479 NE2 GLN A 163 1.083 10.613 -1.884 1.00 25.00 N ATOM 0 H GLN A 163 2.806 12.962 -0.747 1.00 25.00 H new ATOM 0 HA GLN A 163 5.567 12.133 -1.524 1.00 25.00 H new ATOM 0 HB2 GLN A 163 4.606 12.212 -3.876 1.00 25.00 H new ATOM 0 HB3 GLN A 163 4.611 10.734 -2.934 1.00 25.00 H new ATOM 0 HG2 GLN A 163 2.171 12.440 -3.030 1.00 25.00 H new ATOM 0 HG3 GLN A 163 2.575 11.381 -4.367 1.00 25.00 H new ATOM 0 HE21 GLN A 163 0.715 11.564 -1.858 1.00 25.00 H new ATOM 0 HE22 GLN A 163 0.599 9.865 -1.387 1.00 25.00 H new ATOM 2488 N VAL A 164 5.714 14.622 -2.301 1.00 25.00 N ATOM 2489 CA VAL A 164 5.806 16.072 -2.301 1.00 25.00 C ATOM 2490 C VAL A 164 6.727 16.337 -3.472 1.00 25.00 C ATOM 2491 O VAL A 164 7.581 15.474 -3.774 1.00 25.00 O ATOM 2492 CB VAL A 164 6.324 16.611 -0.887 1.00 25.00 C ATOM 2493 CG1 VAL A 164 7.579 15.967 -0.394 1.00 75.00 C ATOM 2494 CG2 VAL A 164 6.542 18.166 -0.896 1.00 75.00 C ATOM 0 H VAL A 164 6.580 14.143 -2.547 1.00 25.00 H new ATOM 0 HA VAL A 164 4.860 16.601 -2.421 1.00 25.00 H new ATOM 0 HB VAL A 164 5.522 16.339 -0.201 1.00 25.00 H new ATOM 0 HG11 VAL A 164 7.853 16.395 0.570 1.00 75.00 H new ATOM 0 HG12 VAL A 164 7.418 14.895 -0.282 1.00 75.00 H new ATOM 0 HG13 VAL A 164 8.382 16.140 -1.110 1.00 75.00 H new ATOM 0 HG21 VAL A 164 6.894 18.490 0.084 1.00 75.00 H new ATOM 0 HG22 VAL A 164 7.284 18.425 -1.652 1.00 75.00 H new ATOM 0 HG23 VAL A 164 5.600 18.664 -1.126 1.00 75.00 H new ATOM 2504 N ILE A 165 6.495 17.415 -4.206 1.00 25.00 N ATOM 2505 CA ILE A 165 7.153 17.707 -5.484 1.00 25.00 C ATOM 2506 C ILE A 165 7.472 19.207 -5.467 1.00 25.00 C ATOM 2507 O ILE A 165 6.621 20.109 -5.236 1.00 25.00 O ATOM 2508 CB ILE A 165 6.363 17.427 -6.749 1.00 25.00 C ATOM 2509 CG1 ILE A 165 5.960 15.952 -6.836 1.00 25.00 C ATOM 2510 CG2 ILE A 165 7.132 17.759 -8.064 1.00 25.00 C ATOM 2511 CD1 ILE A 165 5.196 15.516 -8.058 1.00 25.00 C ATOM 0 H ILE A 165 5.827 18.134 -3.927 1.00 25.00 H new ATOM 0 HA ILE A 165 8.011 17.037 -5.539 1.00 25.00 H new ATOM 0 HB ILE A 165 5.495 18.081 -6.672 1.00 25.00 H new ATOM 0 HG12 ILE A 165 6.867 15.350 -6.773 1.00 25.00 H new ATOM 0 HG13 ILE A 165 5.358 15.715 -5.959 1.00 25.00 H new ATOM 0 HG21 ILE A 165 6.500 17.531 -8.922 1.00 25.00 H new ATOM 0 HG22 ILE A 165 7.393 18.817 -8.076 1.00 25.00 H new ATOM 0 HG23 ILE A 165 8.042 17.161 -8.114 1.00 25.00 H new ATOM 0 HD11 ILE A 165 4.976 14.451 -7.989 1.00 25.00 H new ATOM 0 HD12 ILE A 165 4.263 16.076 -8.123 1.00 25.00 H new ATOM 0 HD13 ILE A 165 5.795 15.706 -8.949 1.00 25.00 H new ATOM 2523 N ASP A 166 8.763 19.451 -5.623 1.00 25.00 N ATOM 2524 CA ASP A 166 9.342 20.775 -5.697 1.00 25.00 C ATOM 2525 C ASP A 166 9.015 21.323 -7.098 1.00 25.00 C ATOM 2526 O ASP A 166 9.230 20.645 -8.126 1.00 25.00 O ATOM 2527 CB ASP A 166 10.865 20.666 -5.449 1.00 25.00 C ATOM 2528 CG ASP A 166 11.617 21.959 -5.439 1.00 25.00 C ATOM 2529 OD1 ASP A 166 11.577 22.651 -6.451 1.00 25.00 O ATOM 2530 OD2 ASP A 166 12.271 22.313 -4.392 1.00 25.00 O1- ATOM 0 H ASP A 166 9.456 18.707 -5.704 1.00 25.00 H new ATOM 0 HA ASP A 166 8.941 21.454 -4.944 1.00 25.00 H new ATOM 0 HB2 ASP A 166 11.024 20.168 -4.493 1.00 25.00 H new ATOM 0 HB3 ASP A 166 11.294 20.024 -6.218 1.00 25.00 H new ATOM 2535 N VAL A 167 8.426 22.490 -7.255 1.00 25.00 N ATOM 2536 CA VAL A 167 7.964 22.871 -8.596 1.00 25.00 C ATOM 2537 C VAL A 167 8.252 24.265 -9.035 1.00 25.00 C ATOM 2538 O VAL A 167 8.560 25.151 -8.188 1.00 25.00 O ATOM 2539 CB VAL A 167 6.389 22.690 -8.823 1.00 25.00 C ATOM 2540 CG1 VAL A 167 6.079 21.177 -8.643 1.00 50.00 C ATOM 2541 CG2 VAL A 167 5.519 23.514 -7.896 1.00 50.00 C ATOM 0 H VAL A 167 8.256 23.172 -6.516 1.00 25.00 H new ATOM 0 HA VAL A 167 8.554 22.172 -9.188 1.00 25.00 H new ATOM 0 HB VAL A 167 6.148 23.053 -9.822 1.00 25.00 H new ATOM 0 HG11 VAL A 167 5.013 21.004 -8.789 1.00 50.00 H new ATOM 0 HG12 VAL A 167 6.644 20.600 -9.375 1.00 50.00 H new ATOM 0 HG13 VAL A 167 6.363 20.864 -7.638 1.00 50.00 H new ATOM 0 HG21 VAL A 167 4.469 23.328 -8.122 1.00 50.00 H new ATOM 0 HG22 VAL A 167 5.723 23.235 -6.862 1.00 50.00 H new ATOM 0 HG23 VAL A 167 5.738 24.572 -8.036 1.00 50.00 H new ATOM 2551 N ASP A 168 8.248 24.541 -10.314 1.00 25.00 N ATOM 2552 CA ASP A 168 8.468 25.833 -10.914 1.00 25.00 C ATOM 2553 C ASP A 168 7.357 25.957 -11.929 1.00 25.00 C ATOM 2554 O ASP A 168 7.321 25.191 -12.911 1.00 25.00 O ATOM 2555 CB ASP A 168 9.871 26.000 -11.508 1.00 25.00 C ATOM 2556 CG ASP A 168 10.146 27.389 -12.016 1.00 25.00 C ATOM 2557 OD1 ASP A 168 11.281 27.556 -12.496 1.00 25.00 O ATOM 2558 OD2 ASP A 168 9.307 28.335 -11.943 1.00 25.00 O1- ATOM 0 H ASP A 168 8.079 23.818 -11.013 1.00 25.00 H new ATOM 0 HA ASP A 168 8.437 26.638 -10.180 1.00 25.00 H new ATOM 0 HB2 ASP A 168 10.611 25.746 -10.749 1.00 25.00 H new ATOM 0 HB3 ASP A 168 9.997 25.291 -12.326 1.00 25.00 H new ATOM 2563 N LEU A 169 6.407 26.880 -11.758 1.00 25.00 N ATOM 2564 CA LEU A 169 5.192 26.911 -12.561 1.00 25.00 C ATOM 2565 C LEU A 169 5.254 28.252 -13.344 1.00 25.00 C ATOM 2566 O LEU A 169 5.505 29.291 -12.724 1.00 25.00 O ATOM 2567 CB LEU A 169 3.980 26.920 -11.670 1.00 25.00 C ATOM 2568 CG LEU A 169 3.967 25.770 -10.625 1.00 25.00 C ATOM 2569 CD1 LEU A 169 2.946 26.010 -9.599 1.00 50.00 C ATOM 2570 CD2 LEU A 169 3.769 24.414 -11.234 1.00 50.00 C ATOM 0 H LEU A 169 6.462 27.622 -11.061 1.00 25.00 H new ATOM 0 HA LEU A 169 5.122 26.043 -13.216 1.00 25.00 H new ATOM 0 HB2 LEU A 169 3.931 27.875 -11.147 1.00 25.00 H new ATOM 0 HB3 LEU A 169 3.085 26.848 -12.288 1.00 25.00 H new ATOM 0 HG LEU A 169 4.956 25.771 -10.167 1.00 25.00 H new ATOM 0 HD11 LEU A 169 2.955 25.192 -8.878 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.159 26.948 -9.086 1.00 50.00 H new ATOM 0 HD13 LEU A 169 1.964 26.068 -10.069 1.00 50.00 H new ATOM 0 HD21 LEU A 169 3.770 23.659 -10.448 1.00 50.00 H new ATOM 0 HD22 LEU A 169 2.815 24.388 -11.761 1.00 50.00 H new ATOM 0 HD23 LEU A 169 4.577 24.209 -11.936 1.00 50.00 H new ATOM 2582 N VAL A 170 5.202 28.161 -14.647 1.00 25.00 N ATOM 2583 CA VAL A 170 5.411 29.295 -15.556 1.00 25.00 C ATOM 2584 C VAL A 170 4.420 29.461 -16.751 1.00 25.00 C ATOM 2585 O VAL A 170 3.706 28.529 -17.189 1.00 25.00 O ATOM 2586 CB VAL A 170 6.794 29.112 -16.176 1.00 25.00 C ATOM 2587 CG1 VAL A 170 7.906 29.199 -15.066 1.00 50.00 C ATOM 2588 CG2 VAL A 170 6.904 27.861 -17.041 1.00 50.00 C ATOM 0 H VAL A 170 5.010 27.285 -15.132 1.00 25.00 H new ATOM 0 HA VAL A 170 5.266 30.179 -14.935 1.00 25.00 H new ATOM 0 HB VAL A 170 6.956 29.936 -16.871 1.00 25.00 H new ATOM 0 HG11 VAL A 170 8.887 29.067 -15.523 1.00 50.00 H new ATOM 0 HG12 VAL A 170 7.860 30.174 -14.581 1.00 50.00 H new ATOM 0 HG13 VAL A 170 7.742 28.417 -14.325 1.00 50.00 H new ATOM 0 HG21 VAL A 170 7.911 27.790 -17.452 1.00 50.00 H new ATOM 0 HG22 VAL A 170 6.696 26.980 -16.434 1.00 50.00 H new ATOM 0 HG23 VAL A 170 6.183 27.918 -17.857 1.00 50.00 H new ATOM 2598 N ASN A 171 4.367 30.672 -17.287 1.00 25.00 N ATOM 2599 CA ASN A 171 3.629 30.928 -18.497 1.00 25.00 C ATOM 2600 C ASN A 171 4.201 30.096 -19.678 1.00 25.00 C ATOM 2601 O ASN A 171 5.379 29.959 -19.764 1.00 25.00 O ATOM 2602 CB ASN A 171 3.767 32.421 -18.865 1.00 25.00 C ATOM 2603 CG ASN A 171 2.881 32.846 -19.991 1.00 25.00 C ATOM 2604 OD1 ASN A 171 1.856 32.289 -20.342 1.00 25.00 O ATOM 2605 ND2 ASN A 171 3.278 33.975 -20.580 1.00 25.00 N ATOM 0 H ASN A 171 4.832 31.491 -16.894 1.00 25.00 H new ATOM 0 HA ASN A 171 2.587 30.655 -18.327 1.00 25.00 H new ATOM 0 HB2 ASN A 171 3.539 33.025 -17.987 1.00 25.00 H new ATOM 0 HB3 ASN A 171 4.804 32.626 -19.133 1.00 25.00 H new ATOM 0 HD21 ASN A 171 2.722 34.381 -21.333 1.00 25.00 H new ATOM 0 HD22 ASN A 171 4.138 34.433 -20.278 1.00 25.00 H new ATOM 2612 N LYS A 172 3.370 29.547 -20.547 1.00 25.00 N ATOM 2613 CA LYS A 172 3.830 28.928 -21.779 1.00 25.00 C ATOM 2614 C LYS A 172 4.716 29.922 -22.593 1.00 25.00 C ATOM 2615 O LYS A 172 5.645 29.425 -23.236 1.00 25.00 O ATOM 2616 CB LYS A 172 2.651 28.456 -22.623 1.00 25.00 C ATOM 2617 CG LYS A 172 1.667 29.581 -22.920 1.00 25.00 C ATOM 2618 CD LYS A 172 0.406 29.017 -23.549 1.00 25.00 C ATOM 2619 CE LYS A 172 -0.486 30.053 -24.218 1.00 25.00 C ATOM 2620 NZ LYS A 172 -1.725 29.376 -24.857 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 4.434 31.192 -22.580 1.00 25.00 O1- ATOM 0 H LYS A 172 2.358 29.518 -20.419 1.00 25.00 H new ATOM 0 HA LYS A 172 4.433 28.058 -21.516 1.00 25.00 H new ATOM 0 HB2 LYS A 172 3.021 28.042 -23.561 1.00 25.00 H new ATOM 0 HB3 LYS A 172 2.133 27.651 -22.102 1.00 25.00 H new ATOM 0 HG2 LYS A 172 1.419 30.110 -22.000 1.00 25.00 H new ATOM 0 HG3 LYS A 172 2.125 30.307 -23.592 1.00 25.00 H new ATOM 0 HD2 LYS A 172 0.688 28.268 -24.289 1.00 25.00 H new ATOM 0 HD3 LYS A 172 -0.170 28.504 -22.779 1.00 25.00 H new ATOM 0 HE2 LYS A 172 -0.807 30.792 -23.484 1.00 25.00 H new ATOM 0 HE3 LYS A 172 0.078 30.587 -24.983 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 -2.321 30.099 -25.308 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 -1.414 28.688 -25.572 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 -2.272 28.887 -24.120 1.00 25.00 H new