USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 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 39 GLN : amide:sc= -3.3 K(o=-3.3,f=-12!) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= -0.0272 USER MOD Set 2.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 77 ASN : amide:sc= -1.98! C(o=-2!,f=-2.5!) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= -0.137 USER MOD Set 3.2: A 74 ASN :FLIP amide:sc=-0.00215 F(o=-1.5,f=-0.14) USER MOD Single : A 3 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.57) USER MOD Single : A 7 SER OG : rot 69:sc= 0.147 USER MOD Single : A 13 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.9!) USER MOD Single : A 17 SER OG : rot -93:sc= -0.522! USER MOD Single : A 21 SER OG : rot 51:sc= 0.894 USER MOD Single : A 28 THR OG1 : rot -35:sc= -3.27! USER MOD Single : A 31 SER OG : rot -95:sc= 1.31 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -108:sc= -23.5! (180deg=-35.7!) USER MOD Single : A 35 SER OG : rot -170:sc= -5.64! USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.405) USER MOD Single : A 49 SER OG : rot -36:sc= 0.794 USER MOD Single : A 52 SER OG : rot -130:sc= -0.607 USER MOD Single : A 54 SER OG : rot -64:sc= 0.63 USER MOD Single : A 57 SER OG : rot 73:sc= -0.359 USER MOD Single : A 58 THR OG1 : rot -81:sc= 0.299 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= -0.194 (180deg=-0.343) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 145:sc= -1.86 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.214 K(o=-0.21,f=-3!) USER MOD Single : A 83 MET CE :methyl -131:sc= -25.5! (180deg=-29.3!) USER MOD Single : A 84 ASN : amide:sc= -0.936 K(o=-0.94,f=-3.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -17:sc= -2.02 USER MOD Single : A 100 LYS NZ :NH3+ -142:sc= -0.262 (180deg=-0.984) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -2.04! USER MOD Single : A 109 GLN : amide:sc= -4.15! C(o=-4.2!,f=-3.8!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -11.932 11.078 -13.021 1.00 0.00 N ATOM 11 CA VAL A 2 -11.100 10.020 -12.383 1.00 0.00 C ATOM 12 C VAL A 2 -11.964 8.781 -12.110 1.00 0.00 C ATOM 13 O VAL A 2 -13.168 8.871 -11.977 1.00 0.00 O ATOM 14 CB VAL A 2 -10.514 10.555 -11.072 1.00 0.00 C ATOM 15 CG1 VAL A 2 -9.790 9.426 -10.341 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.516 11.673 -11.384 1.00 0.00 C ATOM 0 HA VAL A 2 -10.285 9.742 -13.051 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.317 10.942 -10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.373 9.805 -9.408 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.494 8.623 -10.123 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.986 9.043 -10.969 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.097 12.056 -10.454 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.714 11.281 -12.009 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.026 12.479 -11.912 1.00 0.00 H new ATOM 17 N GLN A 3 -11.356 7.626 -12.037 1.00 0.00 N ATOM 18 CA GLN A 3 -12.132 6.372 -11.786 1.00 0.00 C ATOM 19 C GLN A 3 -11.133 5.225 -11.763 1.00 0.00 C ATOM 20 O GLN A 3 -10.453 4.978 -12.738 1.00 0.00 O ATOM 21 CB GLN A 3 -13.147 6.155 -12.912 1.00 0.00 C ATOM 22 CG GLN A 3 -14.331 5.344 -12.384 1.00 0.00 C ATOM 23 CD GLN A 3 -15.188 6.220 -11.468 1.00 0.00 C ATOM 24 OE1 GLN A 3 -15.023 6.205 -10.264 1.00 0.00 O ATOM 25 NE2 GLN A 3 -16.103 6.989 -11.991 1.00 0.00 N ATOM 0 H GLN A 3 -10.350 7.495 -12.141 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.676 6.433 -10.844 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.492 7.116 -13.294 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.676 5.631 -13.744 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.931 4.975 -13.216 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.972 4.472 -11.838 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.242 7.002 -13.001 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.680 7.577 -11.389 1.00 0.00 H new ATOM 26 N LEU A 4 -10.977 4.556 -10.653 1.00 0.00 N ATOM 27 CA LEU A 4 -9.942 3.488 -10.612 1.00 0.00 C ATOM 28 C LEU A 4 -10.262 2.377 -9.608 1.00 0.00 C ATOM 29 O LEU A 4 -11.335 2.310 -9.042 1.00 0.00 O ATOM 30 CB LEU A 4 -8.610 4.113 -10.228 1.00 0.00 C ATOM 31 CG LEU A 4 -8.800 5.415 -9.446 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.199 6.560 -10.371 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.830 5.256 -8.328 1.00 0.00 C ATOM 0 H LEU A 4 -11.507 4.698 -9.793 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.910 3.034 -11.603 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.037 3.407 -9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.028 4.311 -11.128 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.840 5.656 -8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.327 7.472 -9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.420 6.713 -11.117 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.136 6.315 -10.870 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.938 6.201 -7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.791 4.969 -8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.497 4.484 -7.634 1.00 0.00 H new ATOM 34 N VAL A 5 -9.303 1.500 -9.390 1.00 0.00 N ATOM 35 CA VAL A 5 -9.496 0.367 -8.424 1.00 0.00 C ATOM 36 C VAL A 5 -8.308 -0.617 -8.509 1.00 0.00 C ATOM 37 O VAL A 5 -8.093 -1.261 -9.515 1.00 0.00 O ATOM 38 CB VAL A 5 -10.806 -0.386 -8.720 1.00 0.00 C ATOM 39 CG1 VAL A 5 -11.894 0.103 -7.764 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.268 -0.150 -10.167 1.00 0.00 C ATOM 0 H VAL A 5 -8.390 1.523 -9.844 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.549 0.786 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.627 -1.452 -8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.824 -0.427 -7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.587 -0.088 -6.736 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.048 1.173 -7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.195 -0.694 -10.346 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.436 0.915 -10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.501 -0.503 -10.856 1.00 0.00 H new ATOM 41 N GLU A 6 -7.542 -0.726 -7.447 1.00 0.00 N ATOM 42 CA GLU A 6 -6.354 -1.655 -7.416 1.00 0.00 C ATOM 43 C GLU A 6 -6.621 -2.943 -8.203 1.00 0.00 C ATOM 44 O GLU A 6 -7.750 -3.287 -8.494 1.00 0.00 O ATOM 45 CB GLU A 6 -6.043 -2.018 -5.963 1.00 0.00 C ATOM 46 CG GLU A 6 -7.257 -2.707 -5.335 1.00 0.00 C ATOM 47 CD GLU A 6 -8.300 -1.654 -4.958 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.192 -1.104 -3.875 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.189 -1.416 -5.759 1.00 0.00 O ATOM 0 H GLU A 6 -7.689 -0.203 -6.584 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.511 -1.142 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.176 -2.677 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.790 -1.120 -5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.685 -3.424 -6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.954 -3.267 -4.451 1.00 0.00 H new ATOM 50 N SER A 7 -5.577 -3.669 -8.543 1.00 0.00 N ATOM 51 CA SER A 7 -5.769 -4.934 -9.303 1.00 0.00 C ATOM 52 C SER A 7 -4.406 -5.461 -9.758 1.00 0.00 C ATOM 53 O SER A 7 -3.418 -4.751 -9.741 1.00 0.00 O ATOM 54 CB SER A 7 -6.648 -4.668 -10.525 1.00 0.00 C ATOM 55 OG SER A 7 -7.863 -5.395 -10.396 1.00 0.00 O ATOM 0 H SER A 7 -4.608 -3.435 -8.325 1.00 0.00 H new ATOM 0 HA SER A 7 -6.253 -5.674 -8.665 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.856 -3.602 -10.613 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.127 -4.967 -11.434 1.00 0.00 H new ATOM 0 HG SER A 7 -8.400 -5.009 -9.673 1.00 0.00 H new ATOM 56 N GLY A 8 -4.344 -6.698 -10.164 1.00 0.00 N ATOM 57 CA GLY A 8 -3.044 -7.269 -10.619 1.00 0.00 C ATOM 58 C GLY A 8 -2.846 -8.651 -9.994 1.00 0.00 C ATOM 59 O GLY A 8 -3.284 -9.652 -10.526 1.00 0.00 O ATOM 0 H GLY A 8 -5.137 -7.339 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.029 -7.345 -11.706 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.225 -6.609 -10.334 1.00 0.00 H new ATOM 60 N GLY A 9 -2.189 -8.714 -8.867 1.00 0.00 N ATOM 61 CA GLY A 9 -1.965 -10.031 -8.207 1.00 0.00 C ATOM 62 C GLY A 9 -0.941 -10.836 -9.008 1.00 0.00 C ATOM 63 O GLY A 9 -1.175 -11.211 -10.139 1.00 0.00 O ATOM 0 H GLY A 9 -1.798 -7.910 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.610 -9.883 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.904 -10.581 -8.141 1.00 0.00 H new ATOM 64 N GLY A 10 0.193 -11.104 -8.425 1.00 0.00 N ATOM 65 CA GLY A 10 1.237 -11.884 -9.142 1.00 0.00 C ATOM 66 C GLY A 10 1.927 -12.822 -8.150 1.00 0.00 C ATOM 67 O GLY A 10 2.064 -12.507 -6.983 1.00 0.00 O ATOM 0 H GLY A 10 0.442 -10.815 -7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.788 -12.458 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.966 -11.211 -9.593 1.00 0.00 H new ATOM 68 N LEU A 11 2.372 -13.969 -8.593 1.00 0.00 N ATOM 69 CA LEU A 11 3.058 -14.890 -7.648 1.00 0.00 C ATOM 70 C LEU A 11 4.531 -14.516 -7.592 1.00 0.00 C ATOM 71 O LEU A 11 5.079 -13.987 -8.540 1.00 0.00 O ATOM 72 CB LEU A 11 2.932 -16.348 -8.096 1.00 0.00 C ATOM 73 CG LEU A 11 1.522 -16.615 -8.624 1.00 0.00 C ATOM 74 CD1 LEU A 11 1.576 -17.724 -9.677 1.00 0.00 C ATOM 75 CD2 LEU A 11 0.621 -17.055 -7.469 1.00 0.00 C ATOM 0 H LEU A 11 2.291 -14.302 -9.554 1.00 0.00 H new ATOM 0 HA LEU A 11 2.591 -14.794 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.666 -16.563 -8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.148 -17.013 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 11 1.122 -15.705 -9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.572 -17.916 -10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.220 -17.414 -10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.975 -18.633 -9.227 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.384 -17.246 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.020 -17.966 -7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.584 -16.268 -6.716 1.00 0.00 H new ATOM 76 N VAL A 12 5.187 -14.780 -6.501 1.00 0.00 N ATOM 77 CA VAL A 12 6.620 -14.427 -6.418 1.00 0.00 C ATOM 78 C VAL A 12 7.202 -14.885 -5.089 1.00 0.00 C ATOM 79 O VAL A 12 7.093 -14.224 -4.081 1.00 0.00 O ATOM 80 CB VAL A 12 6.817 -12.919 -6.581 1.00 0.00 C ATOM 81 CG1 VAL A 12 7.363 -12.656 -7.984 1.00 0.00 C ATOM 82 CG2 VAL A 12 5.491 -12.176 -6.401 1.00 0.00 C ATOM 0 H VAL A 12 4.793 -15.222 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 12 7.142 -14.936 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 12 7.514 -12.560 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.511 -11.585 -8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.315 -13.173 -8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.653 -13.022 -8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.655 -11.105 -6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.777 -12.520 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.096 -12.373 -5.404 1.00 0.00 H new ATOM 83 N GLN A 13 7.818 -16.024 -5.121 1.00 0.00 N ATOM 84 CA GLN A 13 8.467 -16.617 -3.899 1.00 0.00 C ATOM 85 C GLN A 13 9.350 -15.543 -3.206 1.00 0.00 C ATOM 86 O GLN A 13 9.223 -14.375 -3.506 1.00 0.00 O ATOM 87 CB GLN A 13 9.326 -17.820 -4.323 1.00 0.00 C ATOM 88 CG GLN A 13 8.771 -18.478 -5.588 1.00 0.00 C ATOM 89 CD GLN A 13 9.390 -19.867 -5.744 1.00 0.00 C ATOM 90 OE1 GLN A 13 9.724 -20.509 -4.769 1.00 0.00 O ATOM 91 NE2 GLN A 13 9.562 -20.361 -6.940 1.00 0.00 N ATOM 0 H GLN A 13 7.909 -16.595 -5.961 1.00 0.00 H new ATOM 0 HA GLN A 13 7.704 -16.949 -3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.351 -17.494 -4.499 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.358 -18.550 -3.514 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.686 -18.555 -5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.998 -17.865 -6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.282 -19.822 -7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.977 -21.286 -7.055 1.00 0.00 H new ATOM 92 N PRO A 14 10.222 -15.936 -2.285 1.00 0.00 N ATOM 93 CA PRO A 14 11.072 -14.961 -1.574 1.00 0.00 C ATOM 94 C PRO A 14 12.161 -14.402 -2.485 1.00 0.00 C ATOM 95 O PRO A 14 12.793 -15.118 -3.237 1.00 0.00 O ATOM 96 CB PRO A 14 11.664 -15.761 -0.406 1.00 0.00 C ATOM 97 CG PRO A 14 11.568 -17.245 -0.804 1.00 0.00 C ATOM 98 CD PRO A 14 10.469 -17.342 -1.877 1.00 0.00 C ATOM 0 HA PRO A 14 10.512 -14.089 -1.235 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.700 -15.474 -0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.113 -15.569 0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.521 -17.605 -1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.322 -17.863 0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.792 -17.950 -2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.566 -17.804 -1.479 1.00 0.00 H new ATOM 99 N GLY A 15 12.374 -13.116 -2.422 1.00 0.00 N ATOM 100 CA GLY A 15 13.409 -12.481 -3.280 1.00 0.00 C ATOM 101 C GLY A 15 12.924 -12.480 -4.729 1.00 0.00 C ATOM 102 O GLY A 15 13.706 -12.567 -5.655 1.00 0.00 O ATOM 0 H GLY A 15 11.871 -12.475 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.600 -11.461 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.350 -13.025 -3.199 1.00 0.00 H new ATOM 103 N GLY A 16 11.636 -12.392 -4.935 1.00 0.00 N ATOM 104 CA GLY A 16 11.106 -12.397 -6.328 1.00 0.00 C ATOM 105 C GLY A 16 10.714 -10.978 -6.748 1.00 0.00 C ATOM 106 O GLY A 16 11.541 -10.191 -7.166 1.00 0.00 O ATOM 0 H GLY A 16 10.932 -12.317 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.859 -12.791 -7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.240 -13.056 -6.393 1.00 0.00 H new ATOM 107 N SER A 17 9.455 -10.652 -6.649 1.00 0.00 N ATOM 108 CA SER A 17 8.992 -9.292 -7.049 1.00 0.00 C ATOM 109 C SER A 17 7.472 -9.322 -7.227 1.00 0.00 C ATOM 110 O SER A 17 6.931 -10.200 -7.860 1.00 0.00 O ATOM 111 CB SER A 17 9.654 -8.893 -8.368 1.00 0.00 C ATOM 112 OG SER A 17 10.051 -10.068 -9.066 1.00 0.00 O ATOM 0 H SER A 17 8.722 -11.273 -6.306 1.00 0.00 H new ATOM 0 HA SER A 17 9.262 -8.567 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.961 -8.311 -8.975 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.520 -8.259 -8.177 1.00 0.00 H new ATOM 0 HG SER A 17 10.979 -10.285 -8.839 1.00 0.00 H new ATOM 113 N LEU A 18 6.776 -8.372 -6.683 1.00 0.00 N ATOM 114 CA LEU A 18 5.298 -8.367 -6.826 1.00 0.00 C ATOM 115 C LEU A 18 4.925 -7.683 -8.129 1.00 0.00 C ATOM 116 O LEU A 18 5.678 -6.894 -8.660 1.00 0.00 O ATOM 117 CB LEU A 18 4.680 -7.590 -5.670 1.00 0.00 C ATOM 118 CG LEU A 18 3.999 -8.527 -4.667 1.00 0.00 C ATOM 119 CD1 LEU A 18 4.752 -9.855 -4.559 1.00 0.00 C ATOM 120 CD2 LEU A 18 3.981 -7.849 -3.297 1.00 0.00 C ATOM 0 H LEU A 18 7.165 -7.598 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 18 4.929 -9.393 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.453 -7.012 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.952 -6.877 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 18 2.985 -8.732 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.248 -10.502 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.772 -10.342 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.773 -9.668 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.499 -8.505 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.003 -7.646 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.428 -6.912 -3.362 1.00 0.00 H new ATOM 121 N ARG A 19 3.769 -7.971 -8.644 1.00 0.00 N ATOM 122 CA ARG A 19 3.351 -7.331 -9.914 1.00 0.00 C ATOM 123 C ARG A 19 1.863 -6.978 -9.839 1.00 0.00 C ATOM 124 O ARG A 19 1.017 -7.698 -10.331 1.00 0.00 O ATOM 125 CB ARG A 19 3.589 -8.306 -11.061 1.00 0.00 C ATOM 126 CG ARG A 19 3.011 -7.729 -12.353 1.00 0.00 C ATOM 127 CD ARG A 19 4.139 -7.507 -13.363 1.00 0.00 C ATOM 128 NE ARG A 19 3.661 -7.864 -14.728 1.00 0.00 N ATOM 129 CZ ARG A 19 3.681 -6.975 -15.680 1.00 0.00 C ATOM 130 NH1 ARG A 19 4.651 -6.103 -15.738 1.00 0.00 N ATOM 131 NH2 ARG A 19 2.730 -6.954 -16.575 1.00 0.00 N ATOM 0 H ARG A 19 3.095 -8.622 -8.241 1.00 0.00 H new ATOM 0 HA ARG A 19 3.928 -6.421 -10.080 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.657 -8.491 -11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.122 -9.266 -10.839 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.267 -8.410 -12.767 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.502 -6.787 -12.147 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.463 -6.466 -13.340 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.004 -8.116 -13.098 1.00 0.00 H new ATOM 0 HE ARG A 19 3.318 -8.806 -14.917 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.393 -6.118 -15.038 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.667 -5.407 -16.483 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.971 -7.634 -16.529 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.746 -6.258 -17.320 1.00 0.00 H new ATOM 132 N LEU A 20 1.539 -5.876 -9.220 1.00 0.00 N ATOM 133 CA LEU A 20 0.098 -5.475 -9.106 1.00 0.00 C ATOM 134 C LEU A 20 -0.114 -4.141 -9.806 1.00 0.00 C ATOM 135 O LEU A 20 0.600 -3.799 -10.729 1.00 0.00 O ATOM 136 CB LEU A 20 -0.292 -5.350 -7.634 1.00 0.00 C ATOM 137 CG LEU A 20 0.461 -6.387 -6.798 1.00 0.00 C ATOM 138 CD1 LEU A 20 0.441 -7.755 -7.493 1.00 0.00 C ATOM 139 CD2 LEU A 20 1.904 -5.921 -6.622 1.00 0.00 C ATOM 0 H LEU A 20 2.204 -5.234 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.525 -6.236 -9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.064 -4.347 -7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.367 -5.493 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.023 -6.488 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.981 -8.480 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.590 -8.084 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.918 -7.674 -8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.452 -6.652 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.376 -5.821 -7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.916 -4.957 -6.113 1.00 0.00 H new ATOM 140 N SER A 21 -1.094 -3.384 -9.398 1.00 0.00 N ATOM 141 CA SER A 21 -1.324 -2.091 -10.081 1.00 0.00 C ATOM 142 C SER A 21 -2.502 -1.329 -9.468 1.00 0.00 C ATOM 143 O SER A 21 -2.993 -1.649 -8.403 1.00 0.00 O ATOM 144 CB SER A 21 -1.616 -2.377 -11.548 1.00 0.00 C ATOM 145 OG SER A 21 -2.148 -3.688 -11.676 1.00 0.00 O ATOM 0 H SER A 21 -1.733 -3.603 -8.634 1.00 0.00 H new ATOM 0 HA SER A 21 -0.436 -1.470 -9.969 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.324 -1.646 -11.939 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.703 -2.284 -12.137 1.00 0.00 H new ATOM 0 HG SER A 21 -2.894 -3.801 -11.050 1.00 0.00 H new ATOM 146 N CYS A 22 -2.943 -0.313 -10.155 1.00 0.00 N ATOM 147 CA CYS A 22 -4.075 0.521 -9.685 1.00 0.00 C ATOM 148 C CYS A 22 -4.958 0.829 -10.885 1.00 0.00 C ATOM 149 O CYS A 22 -4.603 1.643 -11.721 1.00 0.00 O ATOM 150 CB CYS A 22 -3.532 1.835 -9.144 1.00 0.00 C ATOM 151 SG CYS A 22 -3.339 1.735 -7.352 1.00 0.00 S ATOM 0 H CYS A 22 -2.551 -0.021 -11.050 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.634 -0.001 -8.908 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.572 2.060 -9.609 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.209 2.650 -9.400 1.00 0.00 H new ATOM 152 N ALA A 23 -6.094 0.199 -10.993 1.00 0.00 N ATOM 153 CA ALA A 23 -6.976 0.495 -12.150 1.00 0.00 C ATOM 154 C ALA A 23 -7.106 2.011 -12.238 1.00 0.00 C ATOM 155 O ALA A 23 -6.815 2.701 -11.286 1.00 0.00 O ATOM 156 CB ALA A 23 -8.352 -0.134 -11.934 1.00 0.00 C ATOM 0 H ALA A 23 -6.445 -0.499 -10.338 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.559 0.086 -13.070 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.992 0.089 -12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.246 -1.214 -11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.801 0.274 -11.028 1.00 0.00 H new ATOM 157 N ALA A 24 -7.527 2.537 -13.355 1.00 0.00 N ATOM 158 CA ALA A 24 -7.655 4.020 -13.476 1.00 0.00 C ATOM 159 C ALA A 24 -7.901 4.393 -14.940 1.00 0.00 C ATOM 160 O ALA A 24 -7.269 3.869 -15.846 1.00 0.00 O ATOM 161 CB ALA A 24 -6.369 4.698 -12.983 1.00 0.00 C ATOM 0 H ALA A 24 -7.787 2.008 -14.187 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.493 4.358 -12.867 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.470 5.779 -13.074 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.197 4.436 -11.939 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.526 4.360 -13.585 1.00 0.00 H new ATOM 162 N SER A 25 -8.816 5.298 -15.177 1.00 0.00 N ATOM 163 CA SER A 25 -9.112 5.714 -16.578 1.00 0.00 C ATOM 164 C SER A 25 -9.825 7.069 -16.568 1.00 0.00 C ATOM 165 O SER A 25 -10.591 7.371 -15.673 1.00 0.00 O ATOM 166 CB SER A 25 -10.012 4.670 -17.239 1.00 0.00 C ATOM 167 OG SER A 25 -9.970 4.837 -18.651 1.00 0.00 O ATOM 0 H SER A 25 -9.370 5.766 -14.460 1.00 0.00 H new ATOM 0 HA SER A 25 -8.180 5.798 -17.137 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.682 3.667 -16.970 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.036 4.776 -16.879 1.00 0.00 H new ATOM 0 HG SER A 25 -10.545 4.167 -19.077 1.00 0.00 H new ATOM 168 N GLY A 26 -9.575 7.890 -17.552 1.00 0.00 N ATOM 169 CA GLY A 26 -10.233 9.227 -17.596 1.00 0.00 C ATOM 170 C GLY A 26 -9.261 10.285 -17.070 1.00 0.00 C ATOM 171 O GLY A 26 -9.145 11.364 -17.616 1.00 0.00 O ATOM 0 H GLY A 26 -8.943 7.692 -18.328 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.531 9.465 -18.617 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.141 9.219 -16.993 1.00 0.00 H new ATOM 172 N PHE A 27 -8.560 9.979 -16.013 1.00 0.00 N ATOM 173 CA PHE A 27 -7.590 10.959 -15.447 1.00 0.00 C ATOM 174 C PHE A 27 -6.164 10.414 -15.609 1.00 0.00 C ATOM 175 O PHE A 27 -5.205 11.104 -15.351 1.00 0.00 O ATOM 176 CB PHE A 27 -7.896 11.172 -13.947 1.00 0.00 C ATOM 177 CG PHE A 27 -7.029 10.255 -13.104 1.00 0.00 C ATOM 178 CD1 PHE A 27 -5.687 10.592 -12.866 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.550 9.058 -12.591 1.00 0.00 C ATOM 180 CE1 PHE A 27 -4.874 9.741 -12.125 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.733 8.208 -11.840 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.394 8.546 -11.608 1.00 0.00 C ATOM 0 H PHE A 27 -8.617 9.090 -15.516 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.677 11.909 -15.974 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.713 12.211 -13.674 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.949 10.972 -13.750 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.285 11.514 -13.259 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.581 8.794 -12.776 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.841 10.001 -11.948 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.135 7.290 -11.438 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.762 7.887 -11.031 1.00 0.00 H new ATOM 183 N THR A 28 -6.041 9.168 -15.986 1.00 0.00 N ATOM 184 CA THR A 28 -4.699 8.526 -16.124 1.00 0.00 C ATOM 185 C THR A 28 -4.171 8.180 -14.721 1.00 0.00 C ATOM 186 O THR A 28 -4.880 7.594 -13.927 1.00 0.00 O ATOM 187 CB THR A 28 -3.719 9.437 -16.887 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.200 10.443 -16.033 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.442 10.092 -18.064 1.00 0.00 C ATOM 0 H THR A 28 -6.827 8.558 -16.208 1.00 0.00 H new ATOM 0 HA THR A 28 -4.792 7.611 -16.709 1.00 0.00 H new ATOM 0 HB THR A 28 -2.892 8.829 -17.252 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.892 10.720 -15.396 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.748 10.737 -18.604 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.817 9.320 -18.736 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.276 10.687 -17.693 1.00 0.00 H new ATOM 190 N PHE A 29 -2.940 8.491 -14.404 1.00 0.00 N ATOM 191 CA PHE A 29 -2.406 8.120 -13.052 1.00 0.00 C ATOM 192 C PHE A 29 -1.265 9.060 -12.678 1.00 0.00 C ATOM 193 O PHE A 29 -1.138 9.494 -11.550 1.00 0.00 O ATOM 194 CB PHE A 29 -1.859 6.697 -13.114 1.00 0.00 C ATOM 195 CG PHE A 29 -2.587 5.950 -14.195 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.275 6.198 -15.540 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.592 5.041 -13.862 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.970 5.528 -16.544 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.279 4.377 -14.868 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.969 4.620 -16.206 1.00 0.00 C ATOM 0 H PHE A 29 -2.285 8.981 -15.013 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.203 8.193 -12.312 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.789 6.712 -13.320 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.992 6.198 -12.154 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.500 6.905 -15.796 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.834 4.855 -12.826 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.734 5.713 -17.582 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.055 3.670 -14.615 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.508 4.100 -16.985 1.00 0.00 H new ATOM 201 N SER A 30 -0.436 9.368 -13.630 1.00 0.00 N ATOM 202 CA SER A 30 0.711 10.275 -13.374 1.00 0.00 C ATOM 203 C SER A 30 0.307 11.675 -13.801 1.00 0.00 C ATOM 204 O SER A 30 0.821 12.662 -13.313 1.00 0.00 O ATOM 205 CB SER A 30 1.918 9.819 -14.196 1.00 0.00 C ATOM 206 OG SER A 30 1.859 8.409 -14.375 1.00 0.00 O ATOM 0 H SER A 30 -0.505 9.025 -14.588 1.00 0.00 H new ATOM 0 HA SER A 30 0.977 10.261 -12.317 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.924 10.320 -15.164 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.843 10.094 -13.689 1.00 0.00 H new ATOM 0 HG SER A 30 2.630 8.114 -14.903 1.00 0.00 H new ATOM 207 N SER A 31 -0.628 11.767 -14.706 1.00 0.00 N ATOM 208 CA SER A 31 -1.081 13.109 -15.157 1.00 0.00 C ATOM 209 C SER A 31 -1.296 13.972 -13.917 1.00 0.00 C ATOM 210 O SER A 31 -0.886 15.116 -13.865 1.00 0.00 O ATOM 211 CB SER A 31 -2.391 12.987 -15.937 1.00 0.00 C ATOM 212 OG SER A 31 -2.855 14.287 -16.277 1.00 0.00 O ATOM 0 H SER A 31 -1.094 10.975 -15.149 1.00 0.00 H new ATOM 0 HA SER A 31 -0.334 13.559 -15.811 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.237 12.395 -16.839 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.138 12.466 -15.338 1.00 0.00 H new ATOM 0 HG SER A 31 -3.500 14.590 -15.605 1.00 0.00 H new ATOM 213 N TYR A 32 -1.922 13.426 -12.905 1.00 0.00 N ATOM 214 CA TYR A 32 -2.140 14.219 -11.660 1.00 0.00 C ATOM 215 C TYR A 32 -1.333 13.597 -10.516 1.00 0.00 C ATOM 216 O TYR A 32 -0.356 14.154 -10.056 1.00 0.00 O ATOM 217 CB TYR A 32 -3.626 14.218 -11.303 1.00 0.00 C ATOM 218 CG TYR A 32 -4.427 14.549 -12.537 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.489 13.633 -13.590 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.102 15.772 -12.628 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.227 13.939 -14.741 1.00 0.00 C ATOM 222 CE2 TYR A 32 -5.841 16.079 -13.778 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.904 15.160 -14.834 1.00 0.00 C ATOM 224 OH TYR A 32 -6.632 15.461 -15.968 1.00 0.00 O ATOM 0 H TYR A 32 -2.288 12.474 -12.887 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.812 15.246 -11.820 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.919 13.243 -10.914 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.825 14.947 -10.518 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.968 12.690 -13.517 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.053 16.478 -11.812 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.273 13.232 -15.556 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.361 17.023 -13.851 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.040 16.346 -15.869 1.00 0.00 H new ATOM 225 N ALA A 33 -1.731 12.443 -10.061 1.00 0.00 N ATOM 226 CA ALA A 33 -0.993 11.769 -8.955 1.00 0.00 C ATOM 227 C ALA A 33 -1.888 10.678 -8.366 1.00 0.00 C ATOM 228 O ALA A 33 -3.047 10.567 -8.712 1.00 0.00 O ATOM 229 CB ALA A 33 -0.628 12.787 -7.868 1.00 0.00 C ATOM 0 H ALA A 33 -2.542 11.933 -10.410 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.073 11.329 -9.340 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.089 12.284 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.003 13.566 -8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.538 13.236 -7.469 1.00 0.00 H new ATOM 230 N MET A 34 -1.369 9.875 -7.481 1.00 0.00 N ATOM 231 CA MET A 34 -2.192 8.799 -6.879 1.00 0.00 C ATOM 232 C MET A 34 -1.308 7.956 -5.973 1.00 0.00 C ATOM 233 O MET A 34 -0.215 7.580 -6.339 1.00 0.00 O ATOM 234 CB MET A 34 -2.783 7.893 -7.976 1.00 0.00 C ATOM 235 CG MET A 34 -1.699 6.959 -8.545 1.00 0.00 C ATOM 236 SD MET A 34 -1.515 5.493 -7.484 1.00 0.00 S ATOM 237 CE MET A 34 -2.447 4.324 -8.492 1.00 0.00 C ATOM 0 H MET A 34 -0.406 9.920 -7.149 1.00 0.00 H new ATOM 0 HA MET A 34 -3.007 9.250 -6.313 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.602 7.302 -7.566 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.201 8.505 -8.776 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.966 6.654 -9.557 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.749 7.490 -8.612 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.397 4.101 -8.006 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.634 4.759 -9.474 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.874 3.404 -8.606 1.00 0.00 H new ATOM 238 N SER A 35 -1.784 7.609 -4.822 1.00 0.00 N ATOM 239 CA SER A 35 -0.980 6.735 -3.935 1.00 0.00 C ATOM 240 C SER A 35 -1.705 5.419 -3.855 1.00 0.00 C ATOM 241 O SER A 35 -2.845 5.329 -4.273 1.00 0.00 O ATOM 242 CB SER A 35 -0.872 7.330 -2.547 1.00 0.00 C ATOM 243 OG SER A 35 -0.393 8.665 -2.637 1.00 0.00 O ATOM 0 H SER A 35 -2.693 7.890 -4.454 1.00 0.00 H new ATOM 0 HA SER A 35 0.030 6.621 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.845 7.314 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.197 6.731 -1.935 1.00 0.00 H new ATOM 0 HG SER A 35 -0.174 8.995 -1.741 1.00 0.00 H new ATOM 244 N TRP A 36 -1.103 4.374 -3.362 1.00 0.00 N ATOM 245 CA TRP A 36 -1.894 3.136 -3.368 1.00 0.00 C ATOM 246 C TRP A 36 -1.234 1.951 -2.638 1.00 0.00 C ATOM 247 O TRP A 36 -0.019 1.882 -2.437 1.00 0.00 O ATOM 248 CB TRP A 36 -2.188 2.835 -4.838 1.00 0.00 C ATOM 249 CG TRP A 36 -1.234 1.875 -5.414 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.062 2.195 -5.992 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.398 0.443 -5.543 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.503 1.049 -6.483 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.279 -0.074 -6.217 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.407 -0.452 -5.131 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.167 -1.445 -6.482 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.291 -1.819 -5.390 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.179 -2.316 -6.062 1.00 0.00 C ATOM 0 H TRP A 36 -0.158 4.328 -2.980 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.810 3.282 -2.796 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.199 2.438 -4.930 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.156 3.763 -5.410 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.361 3.187 -6.057 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.391 1.020 -6.984 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.276 -0.077 -4.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.695 -1.828 -7.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.069 -2.495 -5.067 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.096 -3.375 -6.260 1.00 0.00 H new ATOM 258 N VAL A 37 -2.107 1.039 -2.240 1.00 0.00 N ATOM 259 CA VAL A 37 -1.759 -0.212 -1.494 1.00 0.00 C ATOM 260 C VAL A 37 -2.292 -0.090 -0.043 1.00 0.00 C ATOM 261 O VAL A 37 -3.067 0.794 0.207 1.00 0.00 O ATOM 262 CB VAL A 37 -0.254 -0.491 -1.550 1.00 0.00 C ATOM 263 CG1 VAL A 37 0.016 -1.839 -0.932 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.207 -0.547 -2.999 1.00 0.00 C ATOM 0 H VAL A 37 -3.107 1.128 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.236 -1.071 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 37 0.274 0.299 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.085 -2.048 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.320 -1.838 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.522 -2.608 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.278 -0.746 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.326 -1.342 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.000 0.407 -3.484 1.00 0.00 H new ATOM 265 N ARG A 38 -1.916 -0.977 0.888 1.00 0.00 N ATOM 266 CA ARG A 38 -2.392 -0.934 2.312 1.00 0.00 C ATOM 267 C ARG A 38 -3.345 -2.088 2.659 1.00 0.00 C ATOM 268 O ARG A 38 -4.545 -1.909 2.735 1.00 0.00 O ATOM 269 CB ARG A 38 -3.056 0.397 2.699 1.00 0.00 C ATOM 270 CG ARG A 38 -1.972 1.429 3.026 1.00 0.00 C ATOM 271 CD ARG A 38 -1.689 2.301 1.802 1.00 0.00 C ATOM 272 NE ARG A 38 -1.029 3.562 2.240 1.00 0.00 N ATOM 273 CZ ARG A 38 -1.615 4.710 2.041 1.00 0.00 C ATOM 274 NH1 ARG A 38 -2.844 4.892 2.440 1.00 0.00 N ATOM 275 NH2 ARG A 38 -0.973 5.675 1.444 1.00 0.00 N ATOM 0 H ARG A 38 -1.277 -1.748 0.695 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.478 -1.041 2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.681 0.756 1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.709 0.254 3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.293 2.053 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.059 0.922 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.049 1.766 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.618 2.526 1.278 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.117 3.528 2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.346 4.137 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.303 5.790 2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.012 5.532 1.132 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.431 6.573 1.288 1.00 0.00 H new ATOM 276 N GLN A 39 -2.813 -3.256 2.943 1.00 0.00 N ATOM 277 CA GLN A 39 -3.678 -4.390 3.367 1.00 0.00 C ATOM 278 C GLN A 39 -2.855 -5.682 3.403 1.00 0.00 C ATOM 279 O GLN A 39 -1.722 -5.710 2.967 1.00 0.00 O ATOM 280 CB GLN A 39 -4.855 -4.516 2.416 1.00 0.00 C ATOM 281 CG GLN A 39 -6.148 -4.310 3.210 1.00 0.00 C ATOM 282 CD GLN A 39 -6.895 -5.638 3.323 1.00 0.00 C ATOM 283 OE1 GLN A 39 -6.296 -6.692 3.249 1.00 0.00 O ATOM 284 NE2 GLN A 39 -8.187 -5.633 3.502 1.00 0.00 N ATOM 0 H GLN A 39 -1.816 -3.466 2.897 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.065 -4.205 4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.778 -3.776 1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.855 -5.497 1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.919 -3.924 4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.776 -3.568 2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.690 -4.748 3.564 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.694 -6.514 3.580 1.00 0.00 H new ATOM 285 N ALA A 40 -3.399 -6.744 3.938 1.00 0.00 N ATOM 286 CA ALA A 40 -2.620 -8.012 4.009 1.00 0.00 C ATOM 287 C ALA A 40 -3.443 -9.101 4.718 1.00 0.00 C ATOM 288 O ALA A 40 -4.492 -8.825 5.264 1.00 0.00 O ATOM 289 CB ALA A 40 -1.335 -7.749 4.796 1.00 0.00 C ATOM 0 H ALA A 40 -4.342 -6.787 4.326 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.383 -8.354 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.752 -8.668 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.750 -6.981 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.587 -7.411 5.801 1.00 0.00 H new ATOM 290 N PRO A 41 -2.926 -10.309 4.690 1.00 0.00 N ATOM 291 CA PRO A 41 -3.574 -11.479 5.325 1.00 0.00 C ATOM 292 C PRO A 41 -3.313 -11.447 6.829 1.00 0.00 C ATOM 293 O PRO A 41 -2.354 -12.022 7.308 1.00 0.00 O ATOM 294 CB PRO A 41 -2.851 -12.670 4.695 1.00 0.00 C ATOM 295 CG PRO A 41 -1.482 -12.135 4.211 1.00 0.00 C ATOM 296 CD PRO A 41 -1.645 -10.620 4.022 1.00 0.00 C ATOM 0 HA PRO A 41 -4.654 -11.511 5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.721 -13.474 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.425 -13.079 3.864 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.701 -12.353 4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.188 -12.613 3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.818 -10.071 4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.670 -10.350 2.966 1.00 0.00 H new ATOM 297 N GLY A 42 -4.121 -10.754 7.582 1.00 0.00 N ATOM 298 CA GLY A 42 -3.853 -10.673 9.045 1.00 0.00 C ATOM 299 C GLY A 42 -2.392 -10.285 9.224 1.00 0.00 C ATOM 300 O GLY A 42 -1.791 -10.496 10.259 1.00 0.00 O ATOM 0 H GLY A 42 -4.943 -10.247 7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.505 -9.936 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.057 -11.630 9.525 1.00 0.00 H new ATOM 301 N LYS A 43 -1.829 -9.688 8.212 1.00 0.00 N ATOM 302 CA LYS A 43 -0.426 -9.238 8.279 1.00 0.00 C ATOM 303 C LYS A 43 -0.474 -7.718 8.364 1.00 0.00 C ATOM 304 O LYS A 43 0.427 -7.022 7.941 1.00 0.00 O ATOM 305 CB LYS A 43 0.313 -9.684 7.008 1.00 0.00 C ATOM 306 CG LYS A 43 1.748 -9.152 7.035 1.00 0.00 C ATOM 307 CD LYS A 43 2.667 -10.112 6.272 1.00 0.00 C ATOM 308 CE LYS A 43 2.943 -11.348 7.129 1.00 0.00 C ATOM 309 NZ LYS A 43 4.366 -11.341 7.570 1.00 0.00 N ATOM 0 H LYS A 43 -2.298 -9.493 7.327 1.00 0.00 H new ATOM 0 HA LYS A 43 0.100 -9.660 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.319 -10.772 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.206 -9.313 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.787 -8.160 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.089 -9.048 8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.202 -10.406 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.604 -9.614 6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.283 -11.357 7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.733 -12.253 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.643 -12.299 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.972 -11.032 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.478 -10.687 8.371 1.00 0.00 H new ATOM 310 N GLU A 44 -1.560 -7.212 8.899 1.00 0.00 N ATOM 311 CA GLU A 44 -1.747 -5.744 9.026 1.00 0.00 C ATOM 312 C GLU A 44 -1.550 -5.091 7.658 1.00 0.00 C ATOM 313 O GLU A 44 -1.050 -5.706 6.737 1.00 0.00 O ATOM 314 CB GLU A 44 -0.768 -5.195 10.069 1.00 0.00 C ATOM 315 CG GLU A 44 0.629 -4.984 9.466 1.00 0.00 C ATOM 316 CD GLU A 44 1.363 -3.900 10.257 1.00 0.00 C ATOM 317 OE1 GLU A 44 0.765 -2.865 10.499 1.00 0.00 O ATOM 318 OE2 GLU A 44 2.511 -4.123 10.607 1.00 0.00 O ATOM 0 H GLU A 44 -2.335 -7.771 9.257 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.757 -5.515 9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.144 -4.250 10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.703 -5.886 10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.194 -5.916 9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.545 -4.693 8.419 1.00 0.00 H new ATOM 319 N ARG A 45 -1.962 -3.863 7.500 1.00 0.00 N ATOM 320 CA ARG A 45 -1.810 -3.210 6.171 1.00 0.00 C ATOM 321 C ARG A 45 -0.383 -3.346 5.682 1.00 0.00 C ATOM 322 O ARG A 45 0.448 -3.997 6.283 1.00 0.00 O ATOM 323 CB ARG A 45 -2.111 -1.718 6.251 1.00 0.00 C ATOM 324 CG ARG A 45 -3.542 -1.447 5.789 1.00 0.00 C ATOM 325 CD ARG A 45 -4.062 -0.173 6.452 1.00 0.00 C ATOM 326 NE ARG A 45 -4.651 -0.505 7.779 1.00 0.00 N ATOM 327 CZ ARG A 45 -5.585 0.252 8.287 1.00 0.00 C ATOM 328 NH1 ARG A 45 -6.629 0.572 7.570 1.00 0.00 N ATOM 329 NH2 ARG A 45 -5.475 0.691 9.511 1.00 0.00 N ATOM 0 H ARG A 45 -2.393 -3.290 8.225 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.509 -3.700 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.978 -1.366 7.274 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.408 -1.163 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.571 -1.342 4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.183 -2.290 6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.250 0.544 6.572 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.812 0.299 5.818 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.324 -1.324 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.714 0.230 6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.359 1.164 7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.659 0.443 10.071 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.205 1.283 9.908 1.00 0.00 H new ATOM 330 N GLU A 46 -0.107 -2.707 4.591 1.00 0.00 N ATOM 331 CA GLU A 46 1.245 -2.741 4.009 1.00 0.00 C ATOM 332 C GLU A 46 1.186 -2.021 2.672 1.00 0.00 C ATOM 333 O GLU A 46 0.770 -2.583 1.679 1.00 0.00 O ATOM 334 CB GLU A 46 1.676 -4.192 3.797 1.00 0.00 C ATOM 335 CG GLU A 46 3.138 -4.233 3.345 1.00 0.00 C ATOM 336 CD GLU A 46 3.214 -4.755 1.909 1.00 0.00 C ATOM 337 OE1 GLU A 46 2.945 -5.928 1.711 1.00 0.00 O ATOM 338 OE2 GLU A 46 3.541 -3.973 1.032 1.00 0.00 O ATOM 0 H GLU A 46 -0.781 -2.149 4.067 1.00 0.00 H new ATOM 0 HA GLU A 46 1.964 -2.259 4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.555 -4.757 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.040 -4.665 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.576 -3.237 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.717 -4.876 4.008 1.00 0.00 H new ATOM 339 N ILE A 47 1.582 -0.780 2.638 1.00 0.00 N ATOM 340 CA ILE A 47 1.544 -0.034 1.354 1.00 0.00 C ATOM 341 C ILE A 47 2.606 -0.621 0.446 1.00 0.00 C ATOM 342 O ILE A 47 3.373 -1.478 0.837 1.00 0.00 O ATOM 343 CB ILE A 47 1.873 1.454 1.589 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.365 2.294 0.390 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.389 1.628 1.750 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.523 2.745 -0.537 1.00 0.00 C ATOM 0 H ILE A 47 1.928 -0.254 3.440 1.00 0.00 H new ATOM 0 HA ILE A 47 0.551 -0.114 0.912 1.00 0.00 H new ATOM 0 HB ILE A 47 1.378 1.797 2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.648 1.708 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.835 3.171 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.619 2.680 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.734 1.042 2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.893 1.285 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.120 3.331 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.227 3.354 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.037 1.868 -0.930 1.00 0.00 H new ATOM 347 N VAL A 48 2.688 -0.135 -0.741 1.00 0.00 N ATOM 348 CA VAL A 48 3.739 -0.613 -1.646 1.00 0.00 C ATOM 349 C VAL A 48 4.258 0.569 -2.449 1.00 0.00 C ATOM 350 O VAL A 48 5.429 0.637 -2.757 1.00 0.00 O ATOM 351 CB VAL A 48 3.224 -1.689 -2.580 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.390 -2.158 -3.434 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.699 -2.875 -1.770 1.00 0.00 C ATOM 0 H VAL A 48 2.068 0.578 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 48 4.541 -1.054 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 48 2.417 -1.294 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.050 -2.935 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.784 -1.317 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.174 -2.558 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.330 -3.644 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.505 -3.284 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.887 -2.543 -1.123 1.00 0.00 H new ATOM 354 N SER A 49 3.428 1.529 -2.785 1.00 0.00 N ATOM 355 CA SER A 49 3.995 2.667 -3.549 1.00 0.00 C ATOM 356 C SER A 49 2.948 3.715 -3.911 1.00 0.00 C ATOM 357 O SER A 49 1.763 3.450 -3.996 1.00 0.00 O ATOM 358 CB SER A 49 4.637 2.135 -4.825 1.00 0.00 C ATOM 359 OG SER A 49 5.993 2.553 -4.878 1.00 0.00 O ATOM 0 H SER A 49 2.431 1.570 -2.573 1.00 0.00 H new ATOM 0 HA SER A 49 4.732 3.155 -2.912 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.579 1.047 -4.849 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.097 2.502 -5.698 1.00 0.00 H new ATOM 0 HG SER A 49 6.072 3.456 -4.505 1.00 0.00 H new ATOM 360 N ALA A 50 3.408 4.917 -4.130 1.00 0.00 N ATOM 361 CA ALA A 50 2.485 6.029 -4.504 1.00 0.00 C ATOM 362 C ALA A 50 3.258 7.097 -5.292 1.00 0.00 C ATOM 363 O ALA A 50 4.455 7.003 -5.469 1.00 0.00 O ATOM 364 CB ALA A 50 1.899 6.634 -3.230 1.00 0.00 C ATOM 0 H ALA A 50 4.392 5.179 -4.065 1.00 0.00 H new ATOM 0 HA ALA A 50 1.677 5.650 -5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.223 7.448 -3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.350 5.868 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.705 7.019 -2.606 1.00 0.00 H new ATOM 365 N VAL A 51 2.579 8.108 -5.777 1.00 0.00 N ATOM 366 CA VAL A 51 3.267 9.178 -6.558 1.00 0.00 C ATOM 367 C VAL A 51 2.434 10.460 -6.492 1.00 0.00 C ATOM 368 O VAL A 51 1.523 10.656 -7.270 1.00 0.00 O ATOM 369 CB VAL A 51 3.397 8.748 -8.021 1.00 0.00 C ATOM 370 CG1 VAL A 51 2.058 8.187 -8.503 1.00 0.00 C ATOM 371 CG2 VAL A 51 3.775 9.960 -8.879 1.00 0.00 C ATOM 0 H VAL A 51 1.574 8.237 -5.664 1.00 0.00 H new ATOM 0 HA VAL A 51 4.258 9.350 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 51 4.170 7.984 -8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.146 7.879 -9.545 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.783 7.327 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.289 8.955 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.868 9.654 -9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.001 10.723 -8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.726 10.367 -8.535 1.00 0.00 H new ATOM 372 N SER A 52 2.729 11.330 -5.571 1.00 0.00 N ATOM 373 CA SER A 52 1.932 12.588 -5.467 1.00 0.00 C ATOM 374 C SER A 52 2.852 13.811 -5.420 1.00 0.00 C ATOM 375 O SER A 52 4.061 13.701 -5.478 1.00 0.00 O ATOM 376 CB SER A 52 1.089 12.543 -4.195 1.00 0.00 C ATOM 377 OG SER A 52 0.127 13.589 -4.230 1.00 0.00 O ATOM 0 H SER A 52 3.481 11.230 -4.889 1.00 0.00 H new ATOM 0 HA SER A 52 1.289 12.669 -6.343 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.590 11.578 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.728 12.650 -3.318 1.00 0.00 H new ATOM 0 HG SER A 52 0.157 14.090 -3.388 1.00 0.00 H new ATOM 378 N GLY A 53 2.279 14.981 -5.317 1.00 0.00 N ATOM 379 CA GLY A 53 3.107 16.223 -5.265 1.00 0.00 C ATOM 380 C GLY A 53 3.887 16.364 -6.569 1.00 0.00 C ATOM 381 O GLY A 53 5.069 16.090 -6.629 1.00 0.00 O ATOM 0 H GLY A 53 1.271 15.131 -5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.469 17.093 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.794 16.181 -4.420 1.00 0.00 H new ATOM 382 N SER A 54 3.233 16.776 -7.622 1.00 0.00 N ATOM 383 CA SER A 54 3.938 16.914 -8.927 1.00 0.00 C ATOM 384 C SER A 54 4.619 15.586 -9.260 1.00 0.00 C ATOM 385 O SER A 54 5.516 15.523 -10.077 1.00 0.00 O ATOM 386 CB SER A 54 4.993 18.021 -8.830 1.00 0.00 C ATOM 387 OG SER A 54 6.275 17.436 -8.632 1.00 0.00 O ATOM 0 H SER A 54 2.243 17.022 -7.634 1.00 0.00 H new ATOM 0 HA SER A 54 3.223 17.172 -9.708 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.991 18.621 -9.740 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.756 18.693 -8.005 1.00 0.00 H new ATOM 0 HG SER A 54 6.292 16.969 -7.771 1.00 0.00 H new ATOM 388 N GLY A 55 4.200 14.523 -8.626 1.00 0.00 N ATOM 389 CA GLY A 55 4.820 13.196 -8.891 1.00 0.00 C ATOM 390 C GLY A 55 6.077 13.031 -8.033 1.00 0.00 C ATOM 391 O GLY A 55 6.428 11.932 -7.648 1.00 0.00 O ATOM 0 H GLY A 55 3.451 14.519 -7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.109 12.401 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.075 13.108 -9.947 1.00 0.00 H new ATOM 392 N GLY A 56 6.756 14.106 -7.722 1.00 0.00 N ATOM 393 CA GLY A 56 7.981 13.989 -6.880 1.00 0.00 C ATOM 394 C GLY A 56 7.691 13.038 -5.722 1.00 0.00 C ATOM 395 O GLY A 56 8.376 12.053 -5.527 1.00 0.00 O ATOM 0 H GLY A 56 6.516 15.053 -8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.814 13.616 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.273 14.968 -6.501 1.00 0.00 H new ATOM 396 N SER A 57 6.667 13.314 -4.961 1.00 0.00 N ATOM 397 CA SER A 57 6.319 12.414 -3.829 1.00 0.00 C ATOM 398 C SER A 57 6.219 10.984 -4.362 1.00 0.00 C ATOM 399 O SER A 57 5.745 10.755 -5.457 1.00 0.00 O ATOM 400 CB SER A 57 4.975 12.837 -3.234 1.00 0.00 C ATOM 401 OG SER A 57 4.894 14.257 -3.224 1.00 0.00 O ATOM 0 H SER A 57 6.058 14.124 -5.076 1.00 0.00 H new ATOM 0 HA SER A 57 7.083 12.471 -3.054 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.157 12.418 -3.820 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.874 12.448 -2.221 1.00 0.00 H new ATOM 0 HG SER A 57 4.764 14.584 -4.139 1.00 0.00 H new ATOM 402 N THR A 58 6.658 10.018 -3.603 1.00 0.00 N ATOM 403 CA THR A 58 6.589 8.613 -4.083 1.00 0.00 C ATOM 404 C THR A 58 6.719 7.681 -2.885 1.00 0.00 C ATOM 405 O THR A 58 7.586 7.845 -2.050 1.00 0.00 O ATOM 406 CB THR A 58 7.728 8.346 -5.073 1.00 0.00 C ATOM 407 OG1 THR A 58 8.859 9.126 -4.714 1.00 0.00 O ATOM 408 CG2 THR A 58 7.279 8.716 -6.488 1.00 0.00 C ATOM 0 H THR A 58 7.060 10.142 -2.674 1.00 0.00 H new ATOM 0 HA THR A 58 5.638 8.440 -4.587 1.00 0.00 H new ATOM 0 HB THR A 58 7.991 7.289 -5.044 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.743 10.041 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.091 8.525 -7.189 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.413 8.115 -6.764 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.013 9.772 -6.521 1.00 0.00 H new ATOM 409 N TYR A 59 5.851 6.720 -2.778 1.00 0.00 N ATOM 410 CA TYR A 59 5.918 5.805 -1.612 1.00 0.00 C ATOM 411 C TYR A 59 6.450 4.436 -2.015 1.00 0.00 C ATOM 412 O TYR A 59 6.470 4.079 -3.178 1.00 0.00 O ATOM 413 CB TYR A 59 4.542 5.662 -1.011 1.00 0.00 C ATOM 414 CG TYR A 59 4.641 5.968 0.449 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.843 7.284 0.873 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.541 4.935 1.374 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.942 7.565 2.242 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.639 5.206 2.739 1.00 0.00 C ATOM 419 CZ TYR A 59 4.839 6.523 3.176 1.00 0.00 C ATOM 420 OH TYR A 59 4.936 6.794 4.527 1.00 0.00 O ATOM 0 H TYR A 59 5.102 6.529 -3.443 1.00 0.00 H new ATOM 0 HA TYR A 59 6.603 6.229 -0.878 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.842 6.342 -1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.163 4.652 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.922 8.081 0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.387 3.921 1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.097 8.580 2.577 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.561 4.403 3.457 1.00 0.00 H new ATOM 0 HH TYR A 59 4.842 5.961 5.035 1.00 0.00 H new ATOM 421 N TYR A 60 6.929 3.697 -1.037 1.00 0.00 N ATOM 422 CA TYR A 60 7.529 2.350 -1.284 1.00 0.00 C ATOM 423 C TYR A 60 7.286 1.441 -0.077 1.00 0.00 C ATOM 424 O TYR A 60 8.199 1.144 0.668 1.00 0.00 O ATOM 425 CB TYR A 60 9.043 2.499 -1.440 1.00 0.00 C ATOM 426 CG TYR A 60 9.357 3.335 -2.646 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.050 4.693 -2.641 1.00 0.00 C ATOM 428 CD2 TYR A 60 9.954 2.751 -3.763 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.336 5.479 -3.759 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.245 3.529 -4.885 1.00 0.00 C ATOM 431 CZ TYR A 60 9.936 4.897 -4.886 1.00 0.00 C ATOM 432 OH TYR A 60 10.219 5.669 -5.993 1.00 0.00 O ATOM 0 H TYR A 60 6.927 3.982 -0.058 1.00 0.00 H new ATOM 0 HA TYR A 60 7.077 1.925 -2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.465 2.961 -0.548 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.505 1.517 -1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.590 5.139 -1.771 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.191 1.697 -3.760 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.096 6.532 -3.756 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.707 3.078 -5.751 1.00 0.00 H new ATOM 0 HH TYR A 60 10.634 5.111 -6.684 1.00 0.00 H new ATOM 433 N ALA A 61 6.086 0.989 0.134 1.00 0.00 N ATOM 434 CA ALA A 61 5.845 0.100 1.306 1.00 0.00 C ATOM 435 C ALA A 61 6.320 0.800 2.581 1.00 0.00 C ATOM 436 O ALA A 61 6.515 1.999 2.607 1.00 0.00 O ATOM 437 CB ALA A 61 6.627 -1.201 1.128 1.00 0.00 C ATOM 0 H ALA A 61 5.270 1.191 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 61 4.780 -0.119 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.451 -1.851 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.297 -1.702 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.691 -0.978 1.054 1.00 0.00 H new ATOM 438 N ASP A 62 6.514 0.059 3.638 1.00 0.00 N ATOM 439 CA ASP A 62 6.980 0.680 4.909 1.00 0.00 C ATOM 440 C ASP A 62 8.430 0.265 5.180 1.00 0.00 C ATOM 441 O ASP A 62 9.127 0.890 5.953 1.00 0.00 O ATOM 442 CB ASP A 62 6.092 0.209 6.061 1.00 0.00 C ATOM 443 CG ASP A 62 6.412 1.020 7.317 1.00 0.00 C ATOM 444 OD1 ASP A 62 7.571 1.054 7.697 1.00 0.00 O ATOM 445 OD2 ASP A 62 5.493 1.594 7.877 1.00 0.00 O ATOM 0 H ASP A 62 6.370 -0.950 3.676 1.00 0.00 H new ATOM 0 HA ASP A 62 6.923 1.765 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.041 0.328 5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.255 -0.852 6.249 1.00 0.00 H new ATOM 446 N SER A 63 8.888 -0.785 4.554 1.00 0.00 N ATOM 447 CA SER A 63 10.291 -1.235 4.783 1.00 0.00 C ATOM 448 C SER A 63 10.960 -1.541 3.447 1.00 0.00 C ATOM 449 O SER A 63 12.057 -2.061 3.397 1.00 0.00 O ATOM 450 CB SER A 63 10.288 -2.508 5.623 1.00 0.00 C ATOM 451 OG SER A 63 9.291 -2.407 6.630 1.00 0.00 O ATOM 0 H SER A 63 8.352 -1.350 3.895 1.00 0.00 H new ATOM 0 HA SER A 63 10.835 -0.444 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.095 -3.374 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.267 -2.658 6.079 1.00 0.00 H new ATOM 0 HG SER A 63 9.287 -3.225 7.170 1.00 0.00 H new ATOM 452 N VAL A 64 10.311 -1.236 2.361 1.00 0.00 N ATOM 453 CA VAL A 64 10.919 -1.529 1.039 1.00 0.00 C ATOM 454 C VAL A 64 11.351 -0.224 0.375 1.00 0.00 C ATOM 455 O VAL A 64 11.508 -0.154 -0.825 1.00 0.00 O ATOM 456 CB VAL A 64 9.915 -2.256 0.143 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.681 -3.204 -0.779 1.00 0.00 C ATOM 458 CG2 VAL A 64 8.936 -3.070 0.998 1.00 0.00 C ATOM 0 H VAL A 64 9.390 -0.798 2.332 1.00 0.00 H new ATOM 0 HA VAL A 64 11.789 -2.170 1.184 1.00 0.00 H new ATOM 0 HB VAL A 64 9.354 -1.526 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.978 -3.730 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.378 -2.632 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.234 -3.927 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.226 -3.583 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.488 -3.804 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.397 -2.402 1.669 1.00 0.00 H new ATOM 459 N LYS A 65 11.551 0.810 1.146 1.00 0.00 N ATOM 460 CA LYS A 65 11.985 2.107 0.552 1.00 0.00 C ATOM 461 C LYS A 65 13.261 1.880 -0.261 1.00 0.00 C ATOM 462 O LYS A 65 14.101 1.080 0.098 1.00 0.00 O ATOM 463 CB LYS A 65 12.261 3.119 1.667 1.00 0.00 C ATOM 464 CG LYS A 65 13.501 2.692 2.455 1.00 0.00 C ATOM 465 CD LYS A 65 13.139 2.540 3.933 1.00 0.00 C ATOM 466 CE LYS A 65 12.585 1.135 4.180 1.00 0.00 C ATOM 467 NZ LYS A 65 13.188 0.573 5.422 1.00 0.00 N ATOM 0 H LYS A 65 11.433 0.813 2.159 1.00 0.00 H new ATOM 0 HA LYS A 65 11.199 2.495 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.412 4.111 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.400 3.185 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.886 1.750 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.292 3.432 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.019 2.710 4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.400 3.289 4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.500 1.172 4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.809 0.490 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.975 -0.443 5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.219 0.710 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.792 1.060 6.251 1.00 0.00 H new ATOM 468 N GLY A 66 13.412 2.565 -1.362 1.00 0.00 N ATOM 469 CA GLY A 66 14.634 2.366 -2.192 1.00 0.00 C ATOM 470 C GLY A 66 14.702 0.902 -2.632 1.00 0.00 C ATOM 471 O GLY A 66 15.739 0.406 -3.026 1.00 0.00 O ATOM 0 H GLY A 66 12.747 3.250 -1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.608 3.021 -3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.524 2.630 -1.621 1.00 0.00 H new ATOM 472 N ARG A 67 13.597 0.210 -2.561 1.00 0.00 N ATOM 473 CA ARG A 67 13.577 -1.225 -2.967 1.00 0.00 C ATOM 474 C ARG A 67 12.188 -1.584 -3.504 1.00 0.00 C ATOM 475 O ARG A 67 11.840 -2.742 -3.632 1.00 0.00 O ATOM 476 CB ARG A 67 13.900 -2.100 -1.758 1.00 0.00 C ATOM 477 CG ARG A 67 15.136 -2.942 -2.068 1.00 0.00 C ATOM 478 CD ARG A 67 15.143 -4.185 -1.179 1.00 0.00 C ATOM 479 NE ARG A 67 16.507 -4.785 -1.178 1.00 0.00 N ATOM 480 CZ ARG A 67 16.964 -5.374 -2.250 1.00 0.00 C ATOM 481 NH1 ARG A 67 16.212 -5.480 -3.312 1.00 0.00 N ATOM 482 NH2 ARG A 67 18.176 -5.856 -2.258 1.00 0.00 N ATOM 0 H ARG A 67 12.703 0.579 -2.238 1.00 0.00 H new ATOM 0 HA ARG A 67 14.321 -1.394 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.079 -1.478 -0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.054 -2.746 -1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.136 -3.233 -3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.040 -2.356 -1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.849 -3.921 -0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.415 -4.910 -1.543 1.00 0.00 H new ATOM 0 HE ARG A 67 17.085 -4.736 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.265 -5.102 -3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.572 -5.941 -4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.764 -5.772 -1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.536 -6.317 -3.094 1.00 0.00 H new ATOM 483 N PHE A 68 11.402 -0.598 -3.829 1.00 0.00 N ATOM 484 CA PHE A 68 10.040 -0.855 -4.373 1.00 0.00 C ATOM 485 C PHE A 68 9.867 0.060 -5.586 1.00 0.00 C ATOM 486 O PHE A 68 10.643 0.977 -5.773 1.00 0.00 O ATOM 487 CB PHE A 68 8.999 -0.504 -3.309 1.00 0.00 C ATOM 488 CG PHE A 68 8.348 -1.743 -2.722 1.00 0.00 C ATOM 489 CD1 PHE A 68 8.890 -3.027 -2.921 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.182 -1.594 -1.965 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.258 -4.146 -2.357 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.555 -2.709 -1.407 1.00 0.00 C ATOM 493 CZ PHE A 68 7.091 -3.981 -1.600 1.00 0.00 C ATOM 0 H PHE A 68 11.648 0.388 -3.740 1.00 0.00 H new ATOM 0 HA PHE A 68 9.914 -1.901 -4.653 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.474 0.069 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.233 0.135 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.789 -3.151 -3.506 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.764 -0.610 -1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.671 -5.133 -2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.654 -2.586 -0.825 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.605 -4.842 -1.165 1.00 0.00 H new ATOM 494 N THR A 69 8.895 -0.158 -6.431 1.00 0.00 N ATOM 495 CA THR A 69 8.782 0.748 -7.609 1.00 0.00 C ATOM 496 C THR A 69 7.322 1.023 -7.979 1.00 0.00 C ATOM 497 O THR A 69 6.533 0.120 -8.180 1.00 0.00 O ATOM 498 CB THR A 69 9.481 0.103 -8.801 1.00 0.00 C ATOM 499 OG1 THR A 69 9.609 1.055 -9.847 1.00 0.00 O ATOM 500 CG2 THR A 69 8.653 -1.085 -9.285 1.00 0.00 C ATOM 0 H THR A 69 8.196 -0.898 -6.362 1.00 0.00 H new ATOM 0 HA THR A 69 9.250 1.698 -7.349 1.00 0.00 H new ATOM 0 HB THR A 69 10.472 -0.240 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.060 0.641 -10.613 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.148 -1.550 -10.137 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.556 -1.813 -8.480 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.663 -0.741 -9.584 1.00 0.00 H new ATOM 501 N ILE A 70 6.980 2.278 -8.113 1.00 0.00 N ATOM 502 CA ILE A 70 5.597 2.654 -8.519 1.00 0.00 C ATOM 503 C ILE A 70 5.542 2.635 -10.046 1.00 0.00 C ATOM 504 O ILE A 70 5.638 3.660 -10.691 1.00 0.00 O ATOM 505 CB ILE A 70 5.281 4.056 -8.010 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.893 4.482 -8.498 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.329 5.018 -8.548 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.852 3.467 -8.021 1.00 0.00 C ATOM 0 H ILE A 70 7.609 3.066 -7.956 1.00 0.00 H new ATOM 0 HA ILE A 70 4.869 1.958 -8.102 1.00 0.00 H new ATOM 0 HB ILE A 70 5.292 4.066 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.650 5.474 -8.117 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.882 4.546 -9.586 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.115 6.026 -8.192 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.316 4.712 -8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.308 5.007 -9.638 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.864 3.769 -8.368 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.092 2.483 -8.423 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.857 3.425 -6.932 1.00 0.00 H new ATOM 509 N SER A 71 5.406 1.476 -10.635 1.00 0.00 N ATOM 510 CA SER A 71 5.366 1.403 -12.122 1.00 0.00 C ATOM 511 C SER A 71 3.998 1.868 -12.598 1.00 0.00 C ATOM 512 O SER A 71 3.022 1.763 -11.884 1.00 0.00 O ATOM 513 CB SER A 71 5.606 -0.042 -12.570 1.00 0.00 C ATOM 514 OG SER A 71 6.843 -0.115 -13.266 1.00 0.00 O ATOM 0 H SER A 71 5.321 0.582 -10.152 1.00 0.00 H new ATOM 0 HA SER A 71 6.141 2.040 -12.548 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.621 -0.706 -11.706 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.792 -0.376 -13.214 1.00 0.00 H new ATOM 0 HG SER A 71 7.003 -1.038 -13.554 1.00 0.00 H new ATOM 515 N ARG A 72 3.893 2.383 -13.791 1.00 0.00 N ATOM 516 CA ARG A 72 2.553 2.826 -14.234 1.00 0.00 C ATOM 517 C ARG A 72 2.315 2.512 -15.708 1.00 0.00 C ATOM 518 O ARG A 72 3.227 2.233 -16.461 1.00 0.00 O ATOM 519 CB ARG A 72 2.364 4.323 -13.998 1.00 0.00 C ATOM 520 CG ARG A 72 2.909 4.712 -12.625 1.00 0.00 C ATOM 521 CD ARG A 72 2.028 5.814 -12.036 1.00 0.00 C ATOM 522 NE ARG A 72 2.797 6.580 -11.014 1.00 0.00 N ATOM 523 CZ ARG A 72 3.662 7.483 -11.390 1.00 0.00 C ATOM 524 NH1 ARG A 72 3.248 8.622 -11.873 1.00 0.00 N ATOM 525 NH2 ARG A 72 4.941 7.246 -11.282 1.00 0.00 N ATOM 0 H ARG A 72 4.655 2.512 -14.457 1.00 0.00 H new ATOM 0 HA ARG A 72 1.825 2.274 -13.639 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.878 4.889 -14.775 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.306 4.579 -14.064 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.920 3.845 -11.964 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.939 5.059 -12.713 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.689 6.483 -12.827 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.137 5.378 -11.583 1.00 0.00 H new ATOM 0 HE ARG A 72 2.647 6.399 -10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.248 8.807 -11.957 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.924 9.327 -12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.265 6.356 -10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.617 7.951 -11.576 1.00 0.00 H new ATOM 526 N ASP A 73 1.075 2.569 -16.117 1.00 0.00 N ATOM 527 CA ASP A 73 0.727 2.293 -17.533 1.00 0.00 C ATOM 528 C ASP A 73 -0.302 3.339 -17.992 1.00 0.00 C ATOM 529 O ASP A 73 -1.505 3.182 -17.815 1.00 0.00 O ATOM 530 CB ASP A 73 0.157 0.878 -17.662 1.00 0.00 C ATOM 531 CG ASP A 73 1.160 -0.134 -17.103 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.619 0.068 -15.993 1.00 0.00 O ATOM 533 OD2 ASP A 73 1.450 -1.094 -17.797 1.00 0.00 O ATOM 0 H ASP A 73 0.282 2.798 -15.519 1.00 0.00 H new ATOM 0 HA ASP A 73 1.615 2.357 -18.162 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.787 0.805 -17.122 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.055 0.655 -18.708 1.00 0.00 H new ATOM 534 N ASN A 74 0.192 4.417 -18.551 1.00 0.00 N ATOM 535 CA ASN A 74 -0.671 5.538 -19.024 1.00 0.00 C ATOM 536 C ASN A 74 -1.800 5.041 -19.929 1.00 0.00 C ATOM 537 O ASN A 74 -2.960 5.074 -19.570 1.00 0.00 O ATOM 538 CB ASN A 74 0.195 6.498 -19.834 1.00 0.00 C ATOM 539 CG ASN A 74 1.171 7.244 -18.914 1.00 0.00 C ATOM 540 OD1 ASN A 74 1.116 7.069 -17.619 1.00 0.00 O flip ATOM 541 ND2 ASN A 74 2.000 8.000 -19.383 1.00 0.00 N flip ATOM 0 H ASN A 74 1.189 4.568 -18.702 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.113 6.022 -18.153 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.750 5.946 -20.592 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.438 7.213 -20.360 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.049 8.141 -20.392 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.647 8.493 -18.767 1.00 0.00 H new ATOM 542 N SER A 75 -1.468 4.613 -21.121 1.00 0.00 N ATOM 543 CA SER A 75 -2.518 4.146 -22.077 1.00 0.00 C ATOM 544 C SER A 75 -2.960 2.719 -21.742 1.00 0.00 C ATOM 545 O SER A 75 -3.228 1.924 -22.621 1.00 0.00 O ATOM 546 CB SER A 75 -1.955 4.176 -23.498 1.00 0.00 C ATOM 547 OG SER A 75 -2.585 5.216 -24.232 1.00 0.00 O ATOM 0 H SER A 75 -0.512 4.567 -21.474 1.00 0.00 H new ATOM 0 HA SER A 75 -3.381 4.808 -21.999 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.877 4.336 -23.471 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.122 3.217 -23.988 1.00 0.00 H new ATOM 0 HG SER A 75 -2.224 5.238 -25.143 1.00 0.00 H new ATOM 548 N LYS A 76 -3.041 2.386 -20.488 1.00 0.00 N ATOM 549 CA LYS A 76 -3.468 1.019 -20.108 1.00 0.00 C ATOM 550 C LYS A 76 -4.555 1.112 -19.032 1.00 0.00 C ATOM 551 O LYS A 76 -5.085 0.115 -18.583 1.00 0.00 O ATOM 552 CB LYS A 76 -2.263 0.264 -19.563 1.00 0.00 C ATOM 553 CG LYS A 76 -1.179 0.188 -20.648 1.00 0.00 C ATOM 554 CD LYS A 76 -0.474 1.548 -20.794 1.00 0.00 C ATOM 555 CE LYS A 76 1.042 1.342 -20.757 1.00 0.00 C ATOM 556 NZ LYS A 76 1.586 1.388 -22.144 1.00 0.00 N ATOM 0 H LYS A 76 -2.828 3.006 -19.707 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.867 0.493 -20.975 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.874 0.768 -18.678 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.557 -0.740 -19.255 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.451 -0.581 -20.391 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.626 -0.102 -21.599 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.765 2.022 -21.732 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.781 2.217 -19.990 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.509 2.114 -20.146 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.278 0.384 -20.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.616 1.248 -22.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.149 0.636 -22.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.373 2.313 -22.570 1.00 0.00 H new ATOM 557 N ASN A 77 -4.895 2.306 -18.621 1.00 0.00 N ATOM 558 CA ASN A 77 -5.941 2.471 -17.594 1.00 0.00 C ATOM 559 C ASN A 77 -5.422 2.006 -16.235 1.00 0.00 C ATOM 560 O ASN A 77 -6.193 1.623 -15.383 1.00 0.00 O ATOM 561 CB ASN A 77 -7.180 1.657 -17.979 1.00 0.00 C ATOM 562 CG ASN A 77 -7.303 1.595 -19.504 1.00 0.00 C ATOM 563 OD1 ASN A 77 -7.261 0.529 -20.086 1.00 0.00 O ATOM 564 ND2 ASN A 77 -7.456 2.701 -20.179 1.00 0.00 N ATOM 0 H ASN A 77 -4.484 3.175 -18.962 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.208 3.526 -17.530 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.107 0.650 -17.569 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.073 2.112 -17.551 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.540 2.671 -21.195 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.491 3.596 -19.691 1.00 0.00 H new ATOM 565 N THR A 78 -4.135 2.050 -15.990 1.00 0.00 N ATOM 566 CA THR A 78 -3.676 1.620 -14.644 1.00 0.00 C ATOM 567 C THR A 78 -2.164 1.709 -14.520 1.00 0.00 C ATOM 568 O THR A 78 -1.449 1.839 -15.487 1.00 0.00 O ATOM 569 CB THR A 78 -4.114 0.179 -14.420 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.414 -0.366 -13.310 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.811 -0.636 -15.677 1.00 0.00 C ATOM 0 H THR A 78 -3.410 2.354 -16.640 1.00 0.00 H new ATOM 0 HA THR A 78 -4.116 2.280 -13.897 1.00 0.00 H new ATOM 0 HB THR A 78 -5.184 0.147 -14.214 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.002 -0.980 -12.822 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.122 -1.669 -15.524 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.354 -0.215 -16.523 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.741 -0.606 -15.881 1.00 0.00 H new ATOM 572 N LEU A 79 -1.683 1.620 -13.314 1.00 0.00 N ATOM 573 CA LEU A 79 -0.218 1.674 -13.079 1.00 0.00 C ATOM 574 C LEU A 79 0.179 0.426 -12.287 1.00 0.00 C ATOM 575 O LEU A 79 -0.606 -0.097 -11.543 1.00 0.00 O ATOM 576 CB LEU A 79 0.134 2.938 -12.296 1.00 0.00 C ATOM 577 CG LEU A 79 -0.787 3.044 -11.092 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.117 3.888 -10.004 1.00 0.00 C ATOM 579 CD2 LEU A 79 -2.105 3.689 -11.526 1.00 0.00 C ATOM 0 H LEU A 79 -2.249 1.511 -12.473 1.00 0.00 H new ATOM 0 HA LEU A 79 0.322 1.701 -14.026 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.174 2.904 -11.973 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.026 3.817 -12.931 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.988 2.051 -10.690 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.780 3.962 -9.142 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.819 3.417 -9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.087 4.886 -10.392 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.771 3.768 -10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.909 4.684 -11.926 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.575 3.075 -12.294 1.00 0.00 H new ATOM 580 N TYR A 80 1.361 -0.091 -12.471 1.00 0.00 N ATOM 581 CA TYR A 80 1.719 -1.352 -11.757 1.00 0.00 C ATOM 582 C TYR A 80 2.757 -1.127 -10.659 1.00 0.00 C ATOM 583 O TYR A 80 3.396 -0.099 -10.577 1.00 0.00 O ATOM 584 CB TYR A 80 2.271 -2.344 -12.778 1.00 0.00 C ATOM 585 CG TYR A 80 1.186 -2.720 -13.762 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.473 -1.726 -14.457 1.00 0.00 C ATOM 587 CD2 TYR A 80 0.896 -4.069 -13.988 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.522 -2.088 -15.370 1.00 0.00 C ATOM 589 CE2 TYR A 80 -0.101 -4.430 -14.901 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.811 -3.440 -15.592 1.00 0.00 C ATOM 591 OH TYR A 80 -1.793 -3.797 -16.492 1.00 0.00 O ATOM 0 H TYR A 80 2.086 0.296 -13.075 1.00 0.00 H new ATOM 0 HA TYR A 80 0.819 -1.736 -11.276 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.117 -1.904 -13.306 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.640 -3.235 -12.271 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.694 -0.683 -14.285 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.443 -4.834 -13.457 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.068 -1.325 -15.904 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.323 -5.473 -15.073 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.865 -4.774 -16.527 1.00 0.00 H new ATOM 592 N LEU A 81 2.923 -2.110 -9.811 1.00 0.00 N ATOM 593 CA LEU A 81 3.911 -1.999 -8.705 1.00 0.00 C ATOM 594 C LEU A 81 4.841 -3.201 -8.713 1.00 0.00 C ATOM 595 O LEU A 81 4.411 -4.323 -8.502 1.00 0.00 O ATOM 596 CB LEU A 81 3.202 -2.039 -7.349 1.00 0.00 C ATOM 597 CG LEU A 81 2.626 -0.683 -6.984 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.411 -0.619 -5.463 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.581 0.434 -7.368 1.00 0.00 C ATOM 0 H LEU A 81 2.410 -2.991 -9.841 1.00 0.00 H new ATOM 0 HA LEU A 81 4.452 -1.064 -8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.403 -2.780 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.905 -2.357 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 81 1.686 -0.557 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.997 0.353 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.718 -1.404 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.365 -0.760 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.145 1.395 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.526 0.302 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.758 0.407 -8.443 1.00 0.00 H new ATOM 600 N GLN A 82 6.111 -2.981 -8.861 1.00 0.00 N ATOM 601 CA GLN A 82 7.050 -4.119 -8.765 1.00 0.00 C ATOM 602 C GLN A 82 7.544 -4.071 -7.321 1.00 0.00 C ATOM 603 O GLN A 82 8.318 -3.206 -6.952 1.00 0.00 O ATOM 604 CB GLN A 82 8.226 -3.971 -9.738 1.00 0.00 C ATOM 605 CG GLN A 82 7.751 -3.335 -11.048 1.00 0.00 C ATOM 606 CD GLN A 82 7.357 -4.437 -12.033 1.00 0.00 C ATOM 607 OE1 GLN A 82 7.570 -5.605 -11.775 1.00 0.00 O ATOM 608 NE2 GLN A 82 6.786 -4.113 -13.162 1.00 0.00 N ATOM 0 H GLN A 82 6.535 -2.071 -9.043 1.00 0.00 H new ATOM 0 HA GLN A 82 6.571 -5.063 -9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.005 -3.356 -9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.667 -4.947 -9.938 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.901 -2.679 -10.860 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.542 -2.717 -11.473 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.607 -3.133 -13.380 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.519 -4.840 -13.826 1.00 0.00 H new ATOM 609 N MET A 83 7.048 -4.930 -6.475 1.00 0.00 N ATOM 610 CA MET A 83 7.450 -4.847 -5.038 1.00 0.00 C ATOM 611 C MET A 83 8.025 -6.180 -4.555 1.00 0.00 C ATOM 612 O MET A 83 7.303 -7.102 -4.252 1.00 0.00 O ATOM 613 CB MET A 83 6.224 -4.462 -4.181 1.00 0.00 C ATOM 614 CG MET A 83 4.932 -4.560 -4.996 1.00 0.00 C ATOM 615 SD MET A 83 3.557 -4.957 -3.888 1.00 0.00 S ATOM 616 CE MET A 83 2.325 -3.924 -4.712 1.00 0.00 C ATOM 0 H MET A 83 6.392 -5.676 -6.708 1.00 0.00 H new ATOM 0 HA MET A 83 8.223 -4.085 -4.936 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.162 -5.119 -3.313 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.344 -3.446 -3.804 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.740 -3.618 -5.510 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.030 -5.328 -5.763 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.809 -3.312 -3.972 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.819 -3.277 -5.437 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.603 -4.559 -5.225 1.00 0.00 H new ATOM 617 N ASN A 84 9.326 -6.279 -4.468 1.00 0.00 N ATOM 618 CA ASN A 84 9.952 -7.551 -4.003 1.00 0.00 C ATOM 619 C ASN A 84 10.114 -7.538 -2.478 1.00 0.00 C ATOM 620 O ASN A 84 9.355 -6.912 -1.769 1.00 0.00 O ATOM 621 CB ASN A 84 11.328 -7.710 -4.657 1.00 0.00 C ATOM 622 CG ASN A 84 12.317 -6.735 -4.015 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.062 -5.549 -3.946 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.445 -7.188 -3.541 1.00 0.00 N ATOM 0 H ASN A 84 9.982 -5.533 -4.699 1.00 0.00 H new ATOM 0 HA ASN A 84 9.309 -8.385 -4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.682 -8.734 -4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.257 -7.519 -5.728 1.00 0.00 H new ATOM 0 HD21 ASN A 84 14.112 -6.547 -3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.659 -8.184 -3.599 1.00 0.00 H new ATOM 625 N SER A 85 11.088 -8.249 -1.975 1.00 0.00 N ATOM 626 CA SER A 85 11.315 -8.310 -0.501 1.00 0.00 C ATOM 627 C SER A 85 10.417 -9.389 0.107 1.00 0.00 C ATOM 628 O SER A 85 10.800 -10.072 1.035 1.00 0.00 O ATOM 629 CB SER A 85 11.005 -6.956 0.142 1.00 0.00 C ATOM 630 OG SER A 85 11.766 -6.820 1.335 1.00 0.00 O ATOM 0 H SER A 85 11.745 -8.797 -2.530 1.00 0.00 H new ATOM 0 HA SER A 85 12.360 -8.554 -0.312 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.244 -6.148 -0.550 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.941 -6.881 0.365 1.00 0.00 H new ATOM 0 HG SER A 85 11.572 -5.953 1.750 1.00 0.00 H new ATOM 631 N LEU A 86 9.229 -9.554 -0.412 1.00 0.00 N ATOM 632 CA LEU A 86 8.319 -10.589 0.123 1.00 0.00 C ATOM 633 C LEU A 86 9.106 -11.882 0.366 1.00 0.00 C ATOM 634 O LEU A 86 10.231 -12.015 -0.073 1.00 0.00 O ATOM 635 CB LEU A 86 7.160 -10.842 -0.854 1.00 0.00 C ATOM 636 CG LEU A 86 7.491 -10.469 -2.312 1.00 0.00 C ATOM 637 CD1 LEU A 86 7.201 -8.978 -2.534 1.00 0.00 C ATOM 638 CD2 LEU A 86 8.955 -10.785 -2.650 1.00 0.00 C ATOM 0 H LEU A 86 8.854 -9.009 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 86 7.898 -10.243 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.883 -11.895 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.291 -10.270 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 86 6.864 -11.066 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.434 -8.711 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.148 -8.779 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.815 -8.383 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.157 -10.510 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.611 -10.218 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.138 -11.851 -2.515 1.00 0.00 H new ATOM 639 N ARG A 87 8.555 -12.836 1.081 1.00 0.00 N ATOM 640 CA ARG A 87 9.344 -14.072 1.340 1.00 0.00 C ATOM 641 C ARG A 87 8.463 -15.332 1.390 1.00 0.00 C ATOM 642 O ARG A 87 8.440 -16.025 2.386 1.00 0.00 O ATOM 643 CB ARG A 87 10.063 -13.915 2.675 1.00 0.00 C ATOM 644 CG ARG A 87 10.843 -15.190 2.982 1.00 0.00 C ATOM 645 CD ARG A 87 12.338 -14.932 2.791 1.00 0.00 C ATOM 646 NE ARG A 87 13.111 -16.090 3.321 1.00 0.00 N ATOM 647 CZ ARG A 87 14.410 -16.122 3.196 1.00 0.00 C ATOM 648 NH1 ARG A 87 15.053 -15.064 2.781 1.00 0.00 N ATOM 649 NH2 ARG A 87 15.066 -17.212 3.489 1.00 0.00 N ATOM 0 H ARG A 87 7.619 -12.811 1.485 1.00 0.00 H new ATOM 0 HA ARG A 87 10.049 -14.199 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.740 -13.061 2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.342 -13.716 3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.646 -15.512 4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.516 -15.996 2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.561 -14.785 1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.630 -14.018 3.309 1.00 0.00 H new ATOM 0 HE ARG A 87 12.625 -16.859 3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.540 -14.212 2.554 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.068 -15.090 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.564 -18.038 3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.081 -17.238 3.392 1.00 0.00 H new ATOM 650 N ALA A 88 7.775 -15.652 0.319 1.00 0.00 N ATOM 651 CA ALA A 88 6.919 -16.892 0.291 1.00 0.00 C ATOM 652 C ALA A 88 6.344 -17.182 1.671 1.00 0.00 C ATOM 653 O ALA A 88 6.210 -18.321 2.069 1.00 0.00 O ATOM 654 CB ALA A 88 7.763 -18.089 -0.140 1.00 0.00 C ATOM 0 H ALA A 88 7.767 -15.108 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 88 6.104 -16.726 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.142 -18.984 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.170 -17.908 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.581 -18.230 0.566 1.00 0.00 H new ATOM 655 N GLU A 89 6.027 -16.170 2.414 1.00 0.00 N ATOM 656 CA GLU A 89 5.489 -16.406 3.772 1.00 0.00 C ATOM 657 C GLU A 89 4.842 -15.122 4.289 1.00 0.00 C ATOM 658 O GLU A 89 4.781 -14.881 5.479 1.00 0.00 O ATOM 659 CB GLU A 89 6.647 -16.816 4.680 1.00 0.00 C ATOM 660 CG GLU A 89 6.383 -18.212 5.239 1.00 0.00 C ATOM 661 CD GLU A 89 5.937 -18.104 6.698 1.00 0.00 C ATOM 662 OE1 GLU A 89 5.210 -17.175 7.007 1.00 0.00 O ATOM 663 OE2 GLU A 89 6.331 -18.952 7.482 1.00 0.00 O ATOM 0 H GLU A 89 6.117 -15.191 2.141 1.00 0.00 H new ATOM 0 HA GLU A 89 4.736 -17.194 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.583 -16.807 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.756 -16.100 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.614 -18.712 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.285 -18.820 5.168 1.00 0.00 H new ATOM 664 N ASP A 90 4.355 -14.298 3.402 1.00 0.00 N ATOM 665 CA ASP A 90 3.711 -13.034 3.844 1.00 0.00 C ATOM 666 C ASP A 90 2.843 -12.466 2.717 1.00 0.00 C ATOM 667 O ASP A 90 2.938 -11.302 2.385 1.00 0.00 O ATOM 668 CB ASP A 90 4.787 -12.012 4.218 1.00 0.00 C ATOM 669 CG ASP A 90 5.751 -11.830 3.046 1.00 0.00 C ATOM 670 OD1 ASP A 90 5.661 -12.600 2.105 1.00 0.00 O ATOM 671 OD2 ASP A 90 6.564 -10.923 3.110 1.00 0.00 O ATOM 0 H ASP A 90 4.376 -14.447 2.393 1.00 0.00 H new ATOM 0 HA ASP A 90 3.084 -13.241 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.324 -11.059 4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.331 -12.348 5.101 1.00 0.00 H new ATOM 672 N THR A 91 1.985 -13.272 2.140 1.00 0.00 N ATOM 673 CA THR A 91 1.097 -12.762 1.053 1.00 0.00 C ATOM 674 C THR A 91 0.562 -11.396 1.492 1.00 0.00 C ATOM 675 O THR A 91 0.488 -11.115 2.672 1.00 0.00 O ATOM 676 CB THR A 91 -0.051 -13.758 0.849 1.00 0.00 C ATOM 677 OG1 THR A 91 0.474 -14.976 0.341 1.00 0.00 O ATOM 678 CG2 THR A 91 -1.080 -13.197 -0.136 1.00 0.00 C ATOM 0 H THR A 91 1.863 -14.257 2.375 1.00 0.00 H new ATOM 0 HA THR A 91 1.635 -12.656 0.111 1.00 0.00 H new ATOM 0 HB THR A 91 -0.543 -13.933 1.806 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.255 -15.617 0.210 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.887 -13.917 -0.268 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.487 -12.264 0.255 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.600 -13.010 -1.096 1.00 0.00 H new ATOM 679 N ALA A 92 0.225 -10.522 0.583 1.00 0.00 N ATOM 680 CA ALA A 92 -0.251 -9.178 1.036 1.00 0.00 C ATOM 681 C ALA A 92 -1.531 -8.758 0.313 1.00 0.00 C ATOM 682 O ALA A 92 -1.939 -9.354 -0.661 1.00 0.00 O ATOM 683 CB ALA A 92 0.842 -8.144 0.762 1.00 0.00 C ATOM 0 H ALA A 92 0.255 -10.670 -0.426 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.469 -9.237 2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.503 -7.161 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.746 -8.417 1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.057 -8.116 -0.306 1.00 0.00 H new ATOM 684 N VAL A 93 -2.149 -7.707 0.790 1.00 0.00 N ATOM 685 CA VAL A 93 -3.392 -7.193 0.154 1.00 0.00 C ATOM 686 C VAL A 93 -3.249 -5.672 0.054 1.00 0.00 C ATOM 687 O VAL A 93 -2.758 -5.034 0.959 1.00 0.00 O ATOM 688 CB VAL A 93 -4.603 -7.576 1.007 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.863 -6.926 0.432 1.00 0.00 C ATOM 690 CG2 VAL A 93 -4.766 -9.098 0.995 1.00 0.00 C ATOM 0 H VAL A 93 -1.837 -7.179 1.605 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.540 -7.622 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.453 -7.229 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.724 -7.200 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.747 -5.842 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.017 -7.272 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.628 -9.376 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.917 -9.440 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.869 -9.563 1.404 1.00 0.00 H new ATOM 691 N TYR A 94 -3.614 -5.090 -1.051 1.00 0.00 N ATOM 692 CA TYR A 94 -3.416 -3.616 -1.209 1.00 0.00 C ATOM 693 C TYR A 94 -4.723 -2.904 -1.593 1.00 0.00 C ATOM 694 O TYR A 94 -5.681 -3.519 -2.015 1.00 0.00 O ATOM 695 CB TYR A 94 -2.392 -3.410 -2.329 1.00 0.00 C ATOM 696 CG TYR A 94 -1.177 -4.270 -2.087 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.727 -4.498 -0.784 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.493 -4.822 -3.170 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.405 -5.278 -0.558 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.644 -5.610 -2.948 1.00 0.00 C ATOM 701 CZ TYR A 94 1.094 -5.836 -1.640 1.00 0.00 C ATOM 702 OH TYR A 94 2.212 -6.610 -1.415 1.00 0.00 O ATOM 0 H TYR A 94 -4.038 -5.563 -1.849 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.076 -3.197 -0.262 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.839 -3.661 -3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.100 -2.361 -2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.259 -4.068 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.839 -4.642 -4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.750 -5.452 0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.173 -6.043 -3.784 1.00 0.00 H new ATOM 0 HH TYR A 94 2.539 -6.455 -0.504 1.00 0.00 H new ATOM 703 N TYR A 95 -4.753 -1.596 -1.464 1.00 0.00 N ATOM 704 CA TYR A 95 -5.974 -0.818 -1.834 1.00 0.00 C ATOM 705 C TYR A 95 -5.536 0.545 -2.367 1.00 0.00 C ATOM 706 O TYR A 95 -4.929 1.325 -1.661 1.00 0.00 O ATOM 707 CB TYR A 95 -6.845 -0.620 -0.604 1.00 0.00 C ATOM 708 CG TYR A 95 -7.563 -1.901 -0.295 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.878 -2.941 0.336 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.911 -2.054 -0.647 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.542 -4.143 0.620 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.575 -3.253 -0.361 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.892 -4.296 0.274 1.00 0.00 C ATOM 714 OH TYR A 95 -9.544 -5.479 0.552 1.00 0.00 O ATOM 0 H TYR A 95 -3.977 -1.034 -1.115 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.543 -1.356 -2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.232 -0.319 0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.564 0.181 -0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.839 -2.820 0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.437 -1.248 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.014 -4.951 1.105 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.614 -3.373 -0.630 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.474 -5.419 0.248 1.00 0.00 H new ATOM 715 N CYS A 96 -5.807 0.830 -3.610 1.00 0.00 N ATOM 716 CA CYS A 96 -5.359 2.131 -4.182 1.00 0.00 C ATOM 717 C CYS A 96 -5.941 3.318 -3.421 1.00 0.00 C ATOM 718 O CYS A 96 -6.643 3.163 -2.442 1.00 0.00 O ATOM 719 CB CYS A 96 -5.775 2.247 -5.647 1.00 0.00 C ATOM 720 SG CYS A 96 -5.039 0.921 -6.630 1.00 0.00 S ATOM 0 H CYS A 96 -6.316 0.223 -4.252 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.273 2.153 -4.095 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.861 2.204 -5.726 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.465 3.214 -6.042 1.00 0.00 H new ATOM 721 N ALA A 97 -5.643 4.514 -3.878 1.00 0.00 N ATOM 722 CA ALA A 97 -6.176 5.726 -3.180 1.00 0.00 C ATOM 723 C ALA A 97 -5.567 7.008 -3.764 1.00 0.00 C ATOM 724 O ALA A 97 -4.456 7.009 -4.240 1.00 0.00 O ATOM 725 CB ALA A 97 -5.797 5.645 -1.704 1.00 0.00 C ATOM 0 H ALA A 97 -5.061 4.700 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.258 5.756 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.179 6.522 -1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.229 4.745 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.712 5.610 -1.608 1.00 0.00 H new ATOM 726 N ARG A 98 -6.288 8.105 -3.711 1.00 0.00 N ATOM 727 CA ARG A 98 -5.739 9.404 -4.241 1.00 0.00 C ATOM 728 C ARG A 98 -5.415 10.349 -3.079 1.00 0.00 C ATOM 729 O ARG A 98 -5.819 10.127 -1.956 1.00 0.00 O ATOM 730 CB ARG A 98 -6.775 10.100 -5.125 1.00 0.00 C ATOM 731 CG ARG A 98 -6.213 10.269 -6.541 1.00 0.00 C ATOM 732 CD ARG A 98 -5.711 11.701 -6.731 1.00 0.00 C ATOM 733 NE ARG A 98 -5.179 11.866 -8.113 1.00 0.00 N ATOM 734 CZ ARG A 98 -5.929 11.578 -9.143 1.00 0.00 C ATOM 735 NH1 ARG A 98 -6.025 10.344 -9.557 1.00 0.00 N ATOM 736 NH2 ARG A 98 -6.586 12.525 -9.757 1.00 0.00 N ATOM 0 H ARG A 98 -7.231 8.161 -3.325 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.841 9.177 -4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.694 9.515 -5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.030 11.073 -4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.399 9.563 -6.706 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.984 10.043 -7.278 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.522 12.408 -6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.932 11.924 -6.002 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.227 12.204 -8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.514 9.604 -9.076 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.611 10.120 -10.361 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.513 13.489 -9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.172 12.300 -10.561 1.00 0.00 H new ATOM 737 N LEU A 99 -4.705 11.421 -3.344 1.00 0.00 N ATOM 738 CA LEU A 99 -4.389 12.397 -2.249 1.00 0.00 C ATOM 739 C LEU A 99 -3.658 13.623 -2.805 1.00 0.00 C ATOM 740 O LEU A 99 -2.810 14.195 -2.150 1.00 0.00 O ATOM 741 CB LEU A 99 -3.521 11.744 -1.161 1.00 0.00 C ATOM 742 CG LEU A 99 -2.319 10.986 -1.753 1.00 0.00 C ATOM 743 CD1 LEU A 99 -2.719 9.539 -2.005 1.00 0.00 C ATOM 744 CD2 LEU A 99 -1.829 11.625 -3.064 1.00 0.00 C ATOM 0 H LEU A 99 -4.333 11.662 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.336 12.710 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.162 12.512 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.131 11.055 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.499 11.034 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.873 8.995 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.018 9.075 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.553 9.509 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.980 11.060 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.635 11.614 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.524 12.654 -2.875 1.00 0.00 H new ATOM 745 N LYS A 100 -3.966 14.031 -4.001 1.00 0.00 N ATOM 746 CA LYS A 100 -3.267 15.216 -4.571 1.00 0.00 C ATOM 747 C LYS A 100 -4.227 16.404 -4.630 1.00 0.00 C ATOM 748 O LYS A 100 -3.923 17.425 -5.215 1.00 0.00 O ATOM 749 CB LYS A 100 -2.767 14.890 -5.980 1.00 0.00 C ATOM 750 CG LYS A 100 -3.832 14.093 -6.735 1.00 0.00 C ATOM 751 CD LYS A 100 -3.845 14.521 -8.203 1.00 0.00 C ATOM 752 CE LYS A 100 -4.105 16.027 -8.296 1.00 0.00 C ATOM 753 NZ LYS A 100 -2.912 16.700 -8.884 1.00 0.00 N ATOM 0 H LYS A 100 -4.665 13.601 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.418 15.471 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.539 15.811 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.842 14.317 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.625 13.026 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.812 14.261 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.892 14.277 -8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.617 13.974 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.984 16.218 -8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.314 16.433 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.760 17.613 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.074 16.098 -8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.068 16.858 -9.900 1.00 0.00 H new ATOM 754 N LYS A 101 -5.387 16.280 -4.042 1.00 0.00 N ATOM 755 CA LYS A 101 -6.363 17.407 -4.081 1.00 0.00 C ATOM 756 C LYS A 101 -7.047 17.403 -5.443 1.00 0.00 C ATOM 757 O LYS A 101 -6.458 17.030 -6.438 1.00 0.00 O ATOM 758 CB LYS A 101 -5.645 18.743 -3.857 1.00 0.00 C ATOM 759 CG LYS A 101 -6.346 19.512 -2.735 1.00 0.00 C ATOM 760 CD LYS A 101 -5.870 18.984 -1.379 1.00 0.00 C ATOM 761 CE LYS A 101 -4.587 19.707 -0.969 1.00 0.00 C ATOM 762 NZ LYS A 101 -3.539 18.702 -0.629 1.00 0.00 N ATOM 0 H LYS A 101 -5.700 15.450 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.102 17.283 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.601 18.569 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.651 19.331 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.129 20.577 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.427 19.399 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.643 19.138 -0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.692 17.910 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.242 20.348 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.778 20.353 -0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.665 19.192 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.870 18.108 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.350 18.103 -1.458 1.00 0.00 H new ATOM 763 N TYR A 102 -8.301 17.761 -5.489 1.00 0.00 N ATOM 764 CA TYR A 102 -9.040 17.719 -6.781 1.00 0.00 C ATOM 765 C TYR A 102 -9.356 16.255 -7.097 1.00 0.00 C ATOM 766 O TYR A 102 -10.022 15.942 -8.064 1.00 0.00 O ATOM 767 CB TYR A 102 -8.184 18.316 -7.903 1.00 0.00 C ATOM 768 CG TYR A 102 -9.048 18.571 -9.116 1.00 0.00 C ATOM 769 CD1 TYR A 102 -9.371 17.519 -9.986 1.00 0.00 C ATOM 770 CD2 TYR A 102 -9.527 19.862 -9.373 1.00 0.00 C ATOM 771 CE1 TYR A 102 -10.172 17.760 -11.108 1.00 0.00 C ATOM 772 CE2 TYR A 102 -10.326 20.102 -10.495 1.00 0.00 C ATOM 773 CZ TYR A 102 -10.650 19.052 -11.363 1.00 0.00 C ATOM 774 OH TYR A 102 -11.437 19.290 -12.470 1.00 0.00 O ATOM 0 H TYR A 102 -8.845 18.081 -4.688 1.00 0.00 H new ATOM 0 HA TYR A 102 -9.958 18.302 -6.704 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.725 19.246 -7.569 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.373 17.634 -8.158 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.002 16.523 -9.790 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.279 20.673 -8.704 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.422 16.950 -11.777 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.694 21.098 -10.692 1.00 0.00 H new ATOM 0 HH TYR A 102 -11.684 20.238 -12.498 1.00 0.00 H new ATOM 775 N ALA A 103 -8.881 15.352 -6.276 1.00 0.00 N ATOM 776 CA ALA A 103 -9.136 13.916 -6.500 1.00 0.00 C ATOM 777 C ALA A 103 -8.721 13.179 -5.234 1.00 0.00 C ATOM 778 O ALA A 103 -7.551 13.057 -4.935 1.00 0.00 O ATOM 779 CB ALA A 103 -8.296 13.426 -7.677 1.00 0.00 C ATOM 0 H ALA A 103 -8.320 15.563 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.188 13.738 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.485 12.365 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.564 13.986 -8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.239 13.577 -7.457 1.00 0.00 H new ATOM 780 N PHE A 104 -9.658 12.705 -4.472 1.00 0.00 N ATOM 781 CA PHE A 104 -9.285 11.992 -3.225 1.00 0.00 C ATOM 782 C PHE A 104 -10.535 11.403 -2.570 1.00 0.00 C ATOM 783 O PHE A 104 -11.350 12.120 -2.028 1.00 0.00 O ATOM 784 CB PHE A 104 -8.613 12.958 -2.256 1.00 0.00 C ATOM 785 CG PHE A 104 -7.995 12.180 -1.113 1.00 0.00 C ATOM 786 CD1 PHE A 104 -8.108 10.780 -1.064 1.00 0.00 C ATOM 787 CD2 PHE A 104 -7.301 12.857 -0.103 1.00 0.00 C ATOM 788 CE1 PHE A 104 -7.532 10.067 -0.013 1.00 0.00 C ATOM 789 CE2 PHE A 104 -6.723 12.138 0.949 1.00 0.00 C ATOM 790 CZ PHE A 104 -6.841 10.743 0.991 1.00 0.00 C ATOM 0 H PHE A 104 -10.659 12.779 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.592 11.188 -3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.846 13.534 -2.774 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -9.343 13.671 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.642 10.255 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.212 13.933 -0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.621 8.991 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.186 12.658 1.728 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.395 10.189 1.804 1.00 0.00 H new ATOM 791 N ASP A 105 -10.667 10.099 -2.616 1.00 0.00 N ATOM 792 CA ASP A 105 -11.844 9.398 -2.006 1.00 0.00 C ATOM 793 C ASP A 105 -12.195 8.186 -2.870 1.00 0.00 C ATOM 794 O ASP A 105 -12.972 7.337 -2.482 1.00 0.00 O ATOM 795 CB ASP A 105 -13.067 10.320 -1.944 1.00 0.00 C ATOM 796 CG ASP A 105 -13.128 10.994 -0.572 1.00 0.00 C ATOM 797 OD1 ASP A 105 -12.636 10.407 0.378 1.00 0.00 O ATOM 798 OD2 ASP A 105 -13.665 12.087 -0.493 1.00 0.00 O ATOM 0 H ASP A 105 -9.993 9.476 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.580 9.097 -0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -13.008 11.074 -2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.977 9.747 -2.120 1.00 0.00 H new ATOM 799 N TYR A 106 -11.635 8.107 -4.046 1.00 0.00 N ATOM 800 CA TYR A 106 -11.941 6.962 -4.944 1.00 0.00 C ATOM 801 C TYR A 106 -11.063 5.765 -4.567 1.00 0.00 C ATOM 802 O TYR A 106 -10.727 5.567 -3.418 1.00 0.00 O ATOM 803 CB TYR A 106 -11.669 7.357 -6.402 1.00 0.00 C ATOM 804 CG TYR A 106 -11.787 8.853 -6.564 1.00 0.00 C ATOM 805 CD1 TYR A 106 -13.039 9.439 -6.788 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.642 9.652 -6.489 1.00 0.00 C ATOM 807 CE1 TYR A 106 -13.143 10.827 -6.937 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.745 11.039 -6.637 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.996 11.627 -6.862 1.00 0.00 C ATOM 810 OH TYR A 106 -12.101 12.994 -7.009 1.00 0.00 O ATOM 0 H TYR A 106 -10.977 8.789 -4.423 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.991 6.692 -4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.672 7.029 -6.696 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.377 6.855 -7.061 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.923 8.821 -6.846 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.677 9.198 -6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -14.108 11.281 -7.110 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.861 11.656 -6.578 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.978 13.291 -6.688 1.00 0.00 H new ATOM 811 N TRP A 107 -10.699 4.968 -5.534 1.00 0.00 N ATOM 812 CA TRP A 107 -9.855 3.772 -5.262 1.00 0.00 C ATOM 813 C TRP A 107 -10.552 2.867 -4.237 1.00 0.00 C ATOM 814 O TRP A 107 -10.934 3.299 -3.169 1.00 0.00 O ATOM 815 CB TRP A 107 -8.501 4.198 -4.726 1.00 0.00 C ATOM 816 CG TRP A 107 -7.909 5.259 -5.601 1.00 0.00 C ATOM 817 CD1 TRP A 107 -7.985 6.575 -5.346 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.166 5.134 -6.858 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.306 7.266 -6.319 1.00 0.00 N ATOM 820 CE2 TRP A 107 -6.788 6.432 -7.278 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.774 4.046 -7.661 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.051 6.643 -8.444 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.033 4.257 -8.837 1.00 0.00 C ATOM 824 CH2 TRP A 107 -5.671 5.553 -9.229 1.00 0.00 C ATOM 0 H TRP A 107 -10.954 5.097 -6.513 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.712 3.223 -6.193 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.606 4.573 -3.708 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.832 3.338 -4.681 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.499 7.020 -4.507 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.199 8.280 -6.328 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.045 3.041 -7.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -5.776 7.645 -8.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.740 3.413 -9.444 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.101 5.708 -10.133 1.00 0.00 H new ATOM 825 N GLY A 108 -10.723 1.610 -4.549 1.00 0.00 N ATOM 826 CA GLY A 108 -11.397 0.693 -3.585 1.00 0.00 C ATOM 827 C GLY A 108 -11.786 -0.609 -4.290 1.00 0.00 C ATOM 828 O GLY A 108 -12.529 -0.608 -5.251 1.00 0.00 O ATOM 0 H GLY A 108 -10.427 1.180 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.733 0.479 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.285 1.173 -3.173 1.00 0.00 H new ATOM 829 N GLN A 109 -11.291 -1.720 -3.815 1.00 0.00 N ATOM 830 CA GLN A 109 -11.628 -3.027 -4.448 1.00 0.00 C ATOM 831 C GLN A 109 -10.848 -4.141 -3.746 1.00 0.00 C ATOM 832 O GLN A 109 -11.302 -5.263 -3.642 1.00 0.00 O ATOM 833 CB GLN A 109 -11.249 -2.996 -5.931 1.00 0.00 C ATOM 834 CG GLN A 109 -12.142 -3.967 -6.707 1.00 0.00 C ATOM 835 CD GLN A 109 -12.013 -5.369 -6.111 1.00 0.00 C ATOM 836 OE1 GLN A 109 -11.010 -6.030 -6.291 1.00 0.00 O ATOM 837 NE2 GLN A 109 -12.997 -5.856 -5.406 1.00 0.00 N ATOM 0 H GLN A 109 -10.665 -1.778 -3.012 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.698 -3.211 -4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.363 -1.986 -6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.201 -3.270 -6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -13.180 -3.636 -6.664 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -11.855 -3.980 -7.758 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -13.839 -5.301 -5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.924 -6.792 -5.006 1.00 0.00 H new ATOM 838 N GLY A 110 -9.678 -3.834 -3.257 1.00 0.00 N ATOM 839 CA GLY A 110 -8.863 -4.861 -2.554 1.00 0.00 C ATOM 840 C GLY A 110 -8.102 -5.715 -3.567 1.00 0.00 C ATOM 841 O GLY A 110 -8.673 -6.278 -4.478 1.00 0.00 O ATOM 0 H GLY A 110 -9.250 -2.910 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.161 -4.377 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.509 -5.494 -1.946 1.00 0.00 H new ATOM 842 N THR A 111 -6.812 -5.828 -3.398 1.00 0.00 N ATOM 843 CA THR A 111 -6.003 -6.653 -4.320 1.00 0.00 C ATOM 844 C THR A 111 -5.020 -7.441 -3.465 1.00 0.00 C ATOM 845 O THR A 111 -5.216 -7.589 -2.276 1.00 0.00 O ATOM 846 CB THR A 111 -5.247 -5.750 -5.297 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.753 -6.529 -6.377 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.082 -5.085 -4.571 1.00 0.00 C ATOM 0 H THR A 111 -6.285 -5.376 -2.650 1.00 0.00 H new ATOM 0 HA THR A 111 -6.634 -7.325 -4.902 1.00 0.00 H new ATOM 0 HB THR A 111 -5.920 -4.984 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.270 -5.950 -7.004 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.541 -4.441 -5.264 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.463 -4.488 -3.743 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.408 -5.851 -4.186 1.00 0.00 H new ATOM 849 N LEU A 112 -3.967 -7.946 -4.032 1.00 0.00 N ATOM 850 CA LEU A 112 -3.016 -8.720 -3.197 1.00 0.00 C ATOM 851 C LEU A 112 -1.891 -9.282 -4.054 1.00 0.00 C ATOM 852 O LEU A 112 -1.737 -8.955 -5.212 1.00 0.00 O ATOM 853 CB LEU A 112 -3.765 -9.905 -2.615 1.00 0.00 C ATOM 854 CG LEU A 112 -4.177 -10.769 -3.794 1.00 0.00 C ATOM 855 CD1 LEU A 112 -3.113 -11.846 -4.017 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.538 -11.413 -3.526 1.00 0.00 C ATOM 0 H LEU A 112 -3.725 -7.860 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.606 -8.068 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.133 -10.464 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.637 -9.575 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.262 -10.152 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.400 -12.472 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.154 -11.372 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.026 -12.462 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.823 -12.030 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.477 -12.034 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.286 -10.634 -3.376 1.00 0.00 H new ATOM 857 N VAL A 113 -1.140 -10.173 -3.472 1.00 0.00 N ATOM 858 CA VAL A 113 -0.031 -10.842 -4.190 1.00 0.00 C ATOM 859 C VAL A 113 0.227 -12.171 -3.473 1.00 0.00 C ATOM 860 O VAL A 113 0.078 -12.261 -2.264 1.00 0.00 O ATOM 861 CB VAL A 113 1.205 -9.933 -4.182 1.00 0.00 C ATOM 862 CG1 VAL A 113 0.742 -8.474 -4.215 1.00 0.00 C ATOM 863 CG2 VAL A 113 2.051 -10.164 -2.924 1.00 0.00 C ATOM 0 H VAL A 113 -1.255 -10.470 -2.503 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.276 -11.035 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 113 1.817 -10.164 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.611 -7.816 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.159 -8.298 -5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.126 -8.268 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.920 -9.507 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.453 -9.947 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.382 -11.202 -2.893 1.00 0.00 H new ATOM 864 N THR A 114 0.577 -13.206 -4.189 1.00 0.00 N ATOM 865 CA THR A 114 0.796 -14.515 -3.514 1.00 0.00 C ATOM 866 C THR A 114 2.208 -15.014 -3.787 1.00 0.00 C ATOM 867 O THR A 114 2.510 -15.505 -4.850 1.00 0.00 O ATOM 868 CB THR A 114 -0.215 -15.533 -4.045 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.491 -14.917 -4.157 1.00 0.00 O ATOM 870 CG2 THR A 114 -0.299 -16.719 -3.084 1.00 0.00 C ATOM 0 H THR A 114 0.719 -13.202 -5.199 1.00 0.00 H new ATOM 0 HA THR A 114 0.665 -14.390 -2.439 1.00 0.00 H new ATOM 0 HB THR A 114 0.104 -15.886 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.139 -15.568 -4.499 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.019 -17.444 -3.463 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.680 -17.190 -3.001 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.618 -16.370 -2.102 1.00 0.00 H new ATOM 871 N VAL A 115 3.075 -14.900 -2.833 1.00 0.00 N ATOM 872 CA VAL A 115 4.464 -15.376 -3.055 1.00 0.00 C ATOM 873 C VAL A 115 4.463 -16.901 -3.227 1.00 0.00 C ATOM 874 O VAL A 115 4.658 -17.643 -2.285 1.00 0.00 O ATOM 875 CB VAL A 115 5.334 -14.981 -1.866 1.00 0.00 C ATOM 876 CG1 VAL A 115 5.772 -13.526 -2.025 1.00 0.00 C ATOM 877 CG2 VAL A 115 4.535 -15.129 -0.569 1.00 0.00 C ATOM 0 H VAL A 115 2.888 -14.501 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 115 4.868 -14.918 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 115 6.209 -15.629 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.394 -13.239 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.342 -13.416 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.892 -12.883 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.160 -14.846 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.659 -14.482 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.216 -16.165 -0.454 1.00 0.00 H new