USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 959 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 73 LYS NZ :NH3+ -170:sc= 0.0585 (180deg=0) USER MOD Set 1.2: A 116 ASN : amide:sc= 0.00174 K(o=0.06,f=-1.8) USER MOD Set 2.1: A 45 CYS SG : rot -28:sc= -2.44! USER MOD Set 2.2: A 67 GLN : amide:sc= -4.21! C(o=-6.6!,f=-5!) USER MOD Set 3.1: A 18 CYS SG : rot 20:sc= 0.0451 USER MOD Set 3.2: A 36 TYR OH : rot -39:sc= -0.24 USER MOD Set 3.3: A 52 ASN : amide:sc= 0.151 K(o=-0.044,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.14 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -36:sc= 1.24 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -5.33! C(o=-5.3!,f=-7.8!) USER MOD Single : A 15 ASN : amide:sc= -0.84 K(o=-0.84,f=0.049) USER MOD Single : A 26 ASN : amide:sc= -0.52 X(o=-0.52,f=-0.51) USER MOD Single : A 28 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.7) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0639 K(o=-0.064,f=-0.77) USER MOD Single : A 44 ASN : amide:sc= -0.901 X(o=-0.9,f=-0.6) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.728 USER MOD Single : A 50 MET CE :methyl 149:sc= -3.78! (180deg=-4.22!) USER MOD Single : A 54 GLN : amide:sc= -0.0701 K(o=-0.07,f=-0.68) USER MOD Single : A 55 ASN : amide:sc=-0.00597 K(o=-0.006,f=-1.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0884 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.253 K(o=-0.25,f=-3.2!) USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00395) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -122:sc= 0.584 USER MOD Single : A 88 CYS SG : rot -58:sc= -2.39 USER MOD Single : A 92 ASN : amide:sc=-0.00325 X(o=-0.0033,f=-0.11) USER MOD Single : A 95 SER OG : rot -53:sc= 0.0621 USER MOD Single : A 96 GLN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -2.31 K(o=-2.3,f=-0.75) USER MOD Single : A 119 SER OG : rot -109:sc= 0.775 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 11:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.501 -20.327 8.614 1.00 0.00 N ATOM 2 CA GLY A 1 16.671 -18.964 9.088 1.00 0.00 C ATOM 3 C GLY A 1 15.907 -17.976 8.204 1.00 0.00 C ATOM 4 O GLY A 1 15.232 -18.378 7.258 1.00 0.00 O ATOM 0 H1 GLY A 1 16.076 -20.906 9.366 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.878 -20.330 7.781 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.427 -20.723 8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.317 -18.886 10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.730 -18.707 9.095 1.00 0.00 H new ATOM 8 N SER A 2 16.041 -16.702 8.542 1.00 0.00 N ATOM 9 CA SER A 2 15.372 -15.654 7.791 1.00 0.00 C ATOM 10 C SER A 2 13.873 -15.947 7.703 1.00 0.00 C ATOM 11 O SER A 2 13.449 -16.804 6.929 1.00 0.00 O ATOM 12 CB SER A 2 15.969 -15.516 6.388 1.00 0.00 C ATOM 13 OG SER A 2 17.105 -14.656 6.374 1.00 0.00 O ATOM 0 H SER A 2 16.603 -16.372 9.326 1.00 0.00 H new ATOM 0 HA SER A 2 15.520 -14.710 8.315 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.255 -16.500 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.211 -15.127 5.708 1.00 0.00 H new ATOM 0 HG SER A 2 17.458 -14.595 5.462 1.00 0.00 H new ATOM 19 N SER A 3 13.113 -15.220 8.508 1.00 0.00 N ATOM 20 CA SER A 3 11.670 -15.391 8.532 1.00 0.00 C ATOM 21 C SER A 3 11.321 -16.848 8.841 1.00 0.00 C ATOM 22 O SER A 3 12.177 -17.728 8.752 1.00 0.00 O ATOM 23 CB SER A 3 11.043 -14.967 7.202 1.00 0.00 C ATOM 24 OG SER A 3 11.090 -16.010 6.232 1.00 0.00 O ATOM 0 H SER A 3 13.469 -14.511 9.149 1.00 0.00 H new ATOM 0 HA SER A 3 11.263 -14.752 9.316 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.007 -14.673 7.368 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.566 -14.091 6.818 1.00 0.00 H new ATOM 0 HG SER A 3 11.924 -16.515 6.335 1.00 0.00 H new ATOM 30 N GLY A 4 10.063 -17.059 9.199 1.00 0.00 N ATOM 31 CA GLY A 4 9.591 -18.394 9.523 1.00 0.00 C ATOM 32 C GLY A 4 8.119 -18.369 9.942 1.00 0.00 C ATOM 33 O GLY A 4 7.257 -18.871 9.222 1.00 0.00 O ATOM 0 H GLY A 4 9.356 -16.327 9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.716 -19.047 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.195 -18.812 10.329 1.00 0.00 H new ATOM 37 N SER A 5 7.878 -17.780 11.103 1.00 0.00 N ATOM 38 CA SER A 5 6.526 -17.682 11.627 1.00 0.00 C ATOM 39 C SER A 5 5.877 -16.377 11.161 1.00 0.00 C ATOM 40 O SER A 5 6.219 -15.301 11.651 1.00 0.00 O ATOM 41 CB SER A 5 6.519 -17.763 13.154 1.00 0.00 C ATOM 42 OG SER A 5 6.653 -19.104 13.618 1.00 0.00 O ATOM 0 H SER A 5 8.596 -17.365 11.697 1.00 0.00 H new ATOM 0 HA SER A 5 5.949 -18.524 11.244 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.333 -17.158 13.553 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.590 -17.338 13.535 1.00 0.00 H new ATOM 0 HG SER A 5 6.646 -19.113 14.598 1.00 0.00 H new ATOM 48 N SER A 6 4.953 -16.514 10.222 1.00 0.00 N ATOM 49 CA SER A 6 4.254 -15.359 9.686 1.00 0.00 C ATOM 50 C SER A 6 3.528 -14.618 10.810 1.00 0.00 C ATOM 51 O SER A 6 3.780 -13.437 11.044 1.00 0.00 O ATOM 52 CB SER A 6 3.263 -15.772 8.596 1.00 0.00 C ATOM 53 OG SER A 6 3.891 -15.896 7.323 1.00 0.00 O ATOM 0 H SER A 6 4.672 -17.408 9.818 1.00 0.00 H new ATOM 0 HA SER A 6 4.990 -14.692 9.237 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.801 -16.722 8.867 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.463 -15.034 8.535 1.00 0.00 H new ATOM 0 HG SER A 6 3.226 -16.163 6.655 1.00 0.00 H new ATOM 59 N GLY A 7 2.641 -15.342 11.477 1.00 0.00 N ATOM 60 CA GLY A 7 1.876 -14.768 12.571 1.00 0.00 C ATOM 61 C GLY A 7 0.561 -14.171 12.067 1.00 0.00 C ATOM 62 O GLY A 7 -0.516 -14.572 12.507 1.00 0.00 O ATOM 0 H GLY A 7 2.435 -16.322 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.669 -15.536 13.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.465 -13.995 13.065 1.00 0.00 H new ATOM 66 N MET A 8 0.691 -13.223 11.151 1.00 0.00 N ATOM 67 CA MET A 8 -0.475 -12.567 10.583 1.00 0.00 C ATOM 68 C MET A 8 -0.104 -11.793 9.316 1.00 0.00 C ATOM 69 O MET A 8 0.261 -10.620 9.385 1.00 0.00 O ATOM 70 CB MET A 8 -1.073 -11.606 11.612 1.00 0.00 C ATOM 71 CG MET A 8 -2.254 -12.250 12.341 1.00 0.00 C ATOM 72 SD MET A 8 -3.553 -11.049 12.577 1.00 0.00 S ATOM 73 CE MET A 8 -4.974 -12.129 12.598 1.00 0.00 C ATOM 0 H MET A 8 1.585 -12.893 10.788 1.00 0.00 H new ATOM 0 HA MET A 8 -1.207 -13.331 10.319 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.308 -11.318 12.334 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.402 -10.693 11.115 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.630 -13.096 11.766 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.928 -12.640 13.305 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.879 -11.537 12.738 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.036 -12.668 11.652 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.877 -12.842 13.416 1.00 0.00 H new ATOM 83 N PRO A 9 -0.214 -12.498 8.158 1.00 0.00 N ATOM 84 CA PRO A 9 0.105 -11.890 6.878 1.00 0.00 C ATOM 85 C PRO A 9 -1.001 -10.928 6.437 1.00 0.00 C ATOM 86 O PRO A 9 -1.987 -10.742 7.149 1.00 0.00 O ATOM 87 CB PRO A 9 0.291 -13.058 5.923 1.00 0.00 C ATOM 88 CG PRO A 9 -0.382 -14.249 6.585 1.00 0.00 C ATOM 89 CD PRO A 9 -0.643 -13.888 8.038 1.00 0.00 C ATOM 0 HA PRO A 9 1.005 -11.277 6.917 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.158 -12.845 4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.349 -13.255 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.316 -14.490 6.078 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.254 -15.132 6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.697 -14.000 8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.083 -14.535 8.713 1.00 0.00 H new ATOM 97 N TYR A 10 -0.799 -10.342 5.266 1.00 0.00 N ATOM 98 CA TYR A 10 -1.767 -9.404 4.722 1.00 0.00 C ATOM 99 C TYR A 10 -1.524 -9.169 3.230 1.00 0.00 C ATOM 100 O TYR A 10 -0.549 -9.668 2.670 1.00 0.00 O ATOM 101 CB TYR A 10 -1.550 -8.090 5.475 1.00 0.00 C ATOM 102 CG TYR A 10 -2.545 -7.853 6.613 1.00 0.00 C ATOM 103 CD1 TYR A 10 -3.879 -7.640 6.330 1.00 0.00 C ATOM 104 CD2 TYR A 10 -2.109 -7.853 7.923 1.00 0.00 C ATOM 105 CE1 TYR A 10 -4.816 -7.417 7.401 1.00 0.00 C ATOM 106 CE2 TYR A 10 -3.046 -7.630 8.993 1.00 0.00 C ATOM 107 CZ TYR A 10 -4.353 -7.423 8.679 1.00 0.00 C ATOM 108 OH TYR A 10 -5.237 -7.212 9.691 1.00 0.00 O ATOM 0 H TYR A 10 0.020 -10.498 4.679 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.780 -9.789 4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.539 -8.079 5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.618 -7.263 4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.220 -7.641 5.305 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.065 -8.020 8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.862 -7.249 7.193 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.718 -7.627 10.022 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.765 -7.245 10.549 1.00 0.00 H new ATOM 118 N VAL A 11 -2.427 -8.409 2.629 1.00 0.00 N ATOM 119 CA VAL A 11 -2.323 -8.102 1.212 1.00 0.00 C ATOM 120 C VAL A 11 -0.967 -7.448 0.935 1.00 0.00 C ATOM 121 O VAL A 11 -0.562 -6.527 1.643 1.00 0.00 O ATOM 122 CB VAL A 11 -3.505 -7.234 0.777 1.00 0.00 C ATOM 123 CG1 VAL A 11 -3.397 -6.863 -0.704 1.00 0.00 C ATOM 124 CG2 VAL A 11 -4.835 -7.932 1.071 1.00 0.00 C ATOM 0 H VAL A 11 -3.234 -7.997 3.097 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.371 -9.015 0.618 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.475 -6.312 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.250 -6.246 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.475 -6.308 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.390 -7.771 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.659 -7.294 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.877 -8.877 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.917 -8.123 2.141 1.00 0.00 H new ATOM 134 N ASP A 12 -0.304 -7.949 -0.097 1.00 0.00 N ATOM 135 CA ASP A 12 0.997 -7.425 -0.476 1.00 0.00 C ATOM 136 C ASP A 12 0.813 -6.329 -1.527 1.00 0.00 C ATOM 137 O ASP A 12 -0.294 -5.828 -1.721 1.00 0.00 O ATOM 138 CB ASP A 12 1.876 -8.520 -1.083 1.00 0.00 C ATOM 139 CG ASP A 12 1.517 -8.916 -2.517 1.00 0.00 C ATOM 140 OD1 ASP A 12 0.442 -8.475 -2.976 1.00 0.00 O ATOM 141 OD2 ASP A 12 2.327 -9.651 -3.122 1.00 0.00 O ATOM 0 H ASP A 12 -0.644 -8.712 -0.682 1.00 0.00 H new ATOM 0 HA ASP A 12 1.477 -7.033 0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.913 -8.185 -1.063 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.815 -9.406 -0.451 1.00 0.00 H new ATOM 146 N ARG A 13 1.915 -5.988 -2.179 1.00 0.00 N ATOM 147 CA ARG A 13 1.890 -4.960 -3.206 1.00 0.00 C ATOM 148 C ARG A 13 1.101 -3.743 -2.719 1.00 0.00 C ATOM 149 O ARG A 13 0.074 -3.392 -3.298 1.00 0.00 O ATOM 150 CB ARG A 13 1.258 -5.486 -4.496 1.00 0.00 C ATOM 151 CG ARG A 13 2.235 -6.384 -5.259 1.00 0.00 C ATOM 152 CD ARG A 13 1.568 -7.700 -5.664 1.00 0.00 C ATOM 153 NE ARG A 13 1.701 -7.906 -7.124 1.00 0.00 N ATOM 154 CZ ARG A 13 0.992 -8.802 -7.823 1.00 0.00 C ATOM 155 NH1 ARG A 13 0.097 -9.582 -7.201 1.00 0.00 N ATOM 156 NH2 ARG A 13 1.179 -8.920 -9.145 1.00 0.00 N ATOM 0 H ARG A 13 2.831 -6.406 -2.016 1.00 0.00 H new ATOM 0 HA ARG A 13 2.921 -4.671 -3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.353 -6.045 -4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.960 -4.649 -5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.593 -5.865 -6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.106 -6.590 -4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.027 -8.530 -5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.514 -7.684 -5.385 1.00 0.00 H new ATOM 0 HE ARG A 13 2.374 -7.330 -7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.045 -9.493 -6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.443 -10.264 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.861 -8.328 -9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.639 -9.602 -9.678 1.00 0.00 H new ATOM 170 N GLN A 14 1.611 -3.132 -1.660 1.00 0.00 N ATOM 171 CA GLN A 14 0.967 -1.962 -1.089 1.00 0.00 C ATOM 172 C GLN A 14 0.485 -1.026 -2.200 1.00 0.00 C ATOM 173 O GLN A 14 -0.547 -0.372 -2.061 1.00 0.00 O ATOM 174 CB GLN A 14 1.908 -1.232 -0.127 1.00 0.00 C ATOM 175 CG GLN A 14 2.182 -2.078 1.118 1.00 0.00 C ATOM 176 CD GLN A 14 3.591 -1.820 1.656 1.00 0.00 C ATOM 177 OE1 GLN A 14 3.785 -1.411 2.789 1.00 0.00 O ATOM 178 NE2 GLN A 14 4.560 -2.082 0.783 1.00 0.00 N ATOM 0 H GLN A 14 2.463 -3.425 -1.182 1.00 0.00 H new ATOM 0 HA GLN A 14 0.100 -2.292 -0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.847 -1.007 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.467 -0.279 0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.447 -1.847 1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.069 -3.135 0.876 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.328 -2.422 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.535 -1.943 1.047 1.00 0.00 H new ATOM 187 N ASN A 15 1.256 -0.992 -3.277 1.00 0.00 N ATOM 188 CA ASN A 15 0.920 -0.147 -4.411 1.00 0.00 C ATOM 189 C ASN A 15 0.915 1.317 -3.966 1.00 0.00 C ATOM 190 O ASN A 15 0.215 1.680 -3.022 1.00 0.00 O ATOM 191 CB ASN A 15 -0.470 -0.481 -4.954 1.00 0.00 C ATOM 192 CG ASN A 15 -0.399 -1.607 -5.988 1.00 0.00 C ATOM 193 OD1 ASN A 15 -0.532 -2.779 -5.678 1.00 0.00 O ATOM 194 ND2 ASN A 15 -0.182 -1.186 -7.231 1.00 0.00 N ATOM 0 H ASN A 15 2.112 -1.536 -3.389 1.00 0.00 H new ATOM 0 HA ASN A 15 1.662 -0.318 -5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.123 -0.777 -4.133 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.910 0.407 -5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.118 -1.860 -7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.080 -0.189 -7.421 1.00 0.00 H new ATOM 201 N ARG A 16 1.704 2.118 -4.668 1.00 0.00 N ATOM 202 CA ARG A 16 1.799 3.534 -4.358 1.00 0.00 C ATOM 203 C ARG A 16 0.576 4.279 -4.897 1.00 0.00 C ATOM 204 O ARG A 16 0.008 3.891 -5.918 1.00 0.00 O ATOM 205 CB ARG A 16 3.066 4.146 -4.959 1.00 0.00 C ATOM 206 CG ARG A 16 2.915 5.658 -5.133 1.00 0.00 C ATOM 207 CD ARG A 16 4.282 6.336 -5.246 1.00 0.00 C ATOM 208 NE ARG A 16 4.171 7.567 -6.061 1.00 0.00 N ATOM 209 CZ ARG A 16 5.218 8.214 -6.591 1.00 0.00 C ATOM 210 NH1 ARG A 16 6.460 7.752 -6.395 1.00 0.00 N ATOM 211 NH2 ARG A 16 5.022 9.323 -7.317 1.00 0.00 N ATOM 0 H ARG A 16 2.283 1.813 -5.450 1.00 0.00 H new ATOM 0 HA ARG A 16 1.840 3.633 -3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.918 3.934 -4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.275 3.684 -5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.326 5.868 -6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.368 6.072 -4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.659 6.580 -4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.000 5.653 -5.700 1.00 0.00 H new ATOM 0 HE ARG A 16 3.239 7.946 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.609 6.908 -5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.257 8.244 -6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.076 9.674 -7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.819 9.816 -7.721 1.00 0.00 H new ATOM 225 N ILE A 17 0.206 5.335 -4.189 1.00 0.00 N ATOM 226 CA ILE A 17 -0.939 6.138 -4.584 1.00 0.00 C ATOM 227 C ILE A 17 -0.542 7.615 -4.592 1.00 0.00 C ATOM 228 O ILE A 17 0.354 8.025 -3.855 1.00 0.00 O ATOM 229 CB ILE A 17 -2.143 5.829 -3.691 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.440 6.333 -4.328 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.940 6.391 -2.283 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.663 5.769 -3.600 1.00 0.00 C ATOM 0 H ILE A 17 0.679 5.654 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.250 5.886 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.230 4.747 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.465 7.422 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.471 6.042 -5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.810 6.158 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.051 5.944 -1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.814 7.472 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.572 6.142 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.648 4.680 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.642 6.082 -2.556 1.00 0.00 H new ATOM 244 N CYS A 18 -1.229 8.375 -5.433 1.00 0.00 N ATOM 245 CA CYS A 18 -0.960 9.798 -5.546 1.00 0.00 C ATOM 246 C CYS A 18 -2.295 10.530 -5.689 1.00 0.00 C ATOM 247 O CYS A 18 -3.273 9.958 -6.169 1.00 0.00 O ATOM 248 CB CYS A 18 -0.014 10.104 -6.709 1.00 0.00 C ATOM 249 SG CYS A 18 -0.772 9.574 -8.288 1.00 0.00 S ATOM 0 H CYS A 18 -1.971 8.032 -6.042 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.451 10.147 -4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.203 11.172 -6.741 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.936 9.590 -6.561 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.057 9.452 -8.133 1.00 0.00 H new ATOM 255 N GLY A 19 -2.295 11.785 -5.263 1.00 0.00 N ATOM 256 CA GLY A 19 -3.494 12.601 -5.338 1.00 0.00 C ATOM 257 C GLY A 19 -3.413 13.786 -4.373 1.00 0.00 C ATOM 258 O GLY A 19 -2.810 13.681 -3.306 1.00 0.00 O ATOM 0 H GLY A 19 -1.483 12.256 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.627 12.966 -6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.367 11.993 -5.101 1.00 0.00 H new ATOM 262 N PHE A 20 -4.028 14.885 -4.783 1.00 0.00 N ATOM 263 CA PHE A 20 -4.032 16.088 -3.969 1.00 0.00 C ATOM 264 C PHE A 20 -4.993 15.947 -2.787 1.00 0.00 C ATOM 265 O PHE A 20 -6.208 15.890 -2.973 1.00 0.00 O ATOM 266 CB PHE A 20 -4.509 17.234 -4.864 1.00 0.00 C ATOM 267 CG PHE A 20 -3.476 17.686 -5.898 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.393 18.410 -5.506 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.640 17.366 -7.210 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.434 18.830 -6.465 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.681 17.786 -8.169 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.599 18.510 -7.777 1.00 0.00 C ATOM 0 H PHE A 20 -4.527 14.968 -5.669 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.033 16.271 -3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.416 16.923 -5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.776 18.084 -4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.263 18.665 -4.465 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.500 16.792 -7.522 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.574 19.403 -6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.811 17.530 -9.210 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.871 18.831 -8.507 1.00 0.00 H new ATOM 282 N LEU A 21 -4.414 15.894 -1.597 1.00 0.00 N ATOM 283 CA LEU A 21 -5.204 15.760 -0.385 1.00 0.00 C ATOM 284 C LEU A 21 -5.113 17.056 0.424 1.00 0.00 C ATOM 285 O LEU A 21 -4.097 17.747 0.383 1.00 0.00 O ATOM 286 CB LEU A 21 -4.778 14.516 0.398 1.00 0.00 C ATOM 287 CG LEU A 21 -4.932 13.180 -0.331 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.297 12.041 0.470 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.400 12.900 -0.659 1.00 0.00 C ATOM 0 H LEU A 21 -3.406 15.941 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.255 15.610 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.733 14.632 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.359 14.474 1.319 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.397 13.245 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.421 11.103 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.235 12.242 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.783 11.966 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.481 11.944 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.978 12.863 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.788 13.693 -1.298 1.00 0.00 H new ATOM 301 N ASP A 22 -6.190 17.345 1.140 1.00 0.00 N ATOM 302 CA ASP A 22 -6.244 18.546 1.956 1.00 0.00 C ATOM 303 C ASP A 22 -6.122 18.160 3.432 1.00 0.00 C ATOM 304 O ASP A 22 -7.111 17.795 4.066 1.00 0.00 O ATOM 305 CB ASP A 22 -7.574 19.280 1.768 1.00 0.00 C ATOM 306 CG ASP A 22 -7.512 20.506 0.855 1.00 0.00 C ATOM 307 OD1 ASP A 22 -6.466 21.189 0.892 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.513 20.732 0.141 1.00 0.00 O ATOM 0 H ASP A 22 -7.031 16.769 1.172 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.426 19.198 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.304 18.580 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.941 19.592 2.746 1.00 0.00 H new ATOM 313 N ILE A 23 -4.900 18.254 3.935 1.00 0.00 N ATOM 314 CA ILE A 23 -4.636 17.919 5.324 1.00 0.00 C ATOM 315 C ILE A 23 -4.828 19.165 6.191 1.00 0.00 C ATOM 316 O ILE A 23 -4.393 20.255 5.822 1.00 0.00 O ATOM 317 CB ILE A 23 -3.254 17.278 5.467 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.976 16.891 6.921 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.165 18.191 4.899 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.659 16.122 7.042 1.00 0.00 C ATOM 0 H ILE A 23 -4.082 18.557 3.406 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.347 17.172 5.677 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.242 16.359 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.935 17.788 7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.794 16.280 7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.193 17.712 5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.358 18.373 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.168 19.139 5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.486 15.859 8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.712 15.213 6.443 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.840 16.745 6.684 1.00 0.00 H new ATOM 332 N GLU A 24 -5.480 18.963 7.326 1.00 0.00 N ATOM 333 CA GLU A 24 -5.735 20.057 8.248 1.00 0.00 C ATOM 334 C GLU A 24 -4.461 20.411 9.018 1.00 0.00 C ATOM 335 O GLU A 24 -3.867 19.553 9.670 1.00 0.00 O ATOM 336 CB GLU A 24 -6.877 19.712 9.206 1.00 0.00 C ATOM 337 CG GLU A 24 -7.291 20.934 10.028 1.00 0.00 C ATOM 338 CD GLU A 24 -7.706 20.528 11.443 1.00 0.00 C ATOM 339 OE1 GLU A 24 -6.793 20.187 12.227 1.00 0.00 O ATOM 340 OE2 GLU A 24 -8.926 20.567 11.710 1.00 0.00 O ATOM 0 H GLU A 24 -5.840 18.058 7.629 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.041 20.929 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.732 19.343 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.566 18.908 9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.463 21.641 10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.118 21.445 9.535 1.00 0.00 H new ATOM 347 N ASP A 25 -4.079 21.675 8.917 1.00 0.00 N ATOM 348 CA ASP A 25 -2.886 22.153 9.596 1.00 0.00 C ATOM 349 C ASP A 25 -3.294 22.920 10.855 1.00 0.00 C ATOM 350 O ASP A 25 -4.472 23.209 11.056 1.00 0.00 O ATOM 351 CB ASP A 25 -2.086 23.102 8.701 1.00 0.00 C ATOM 352 CG ASP A 25 -0.709 23.492 9.241 1.00 0.00 C ATOM 353 OD1 ASP A 25 0.190 22.626 9.183 1.00 0.00 O ATOM 354 OD2 ASP A 25 -0.586 24.649 9.700 1.00 0.00 O ATOM 0 H ASP A 25 -4.574 22.383 8.375 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.270 21.289 9.846 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.958 22.635 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.669 24.010 8.546 1.00 0.00 H new ATOM 359 N ASN A 26 -2.296 23.229 11.670 1.00 0.00 N ATOM 360 CA ASN A 26 -2.536 23.957 12.904 1.00 0.00 C ATOM 361 C ASN A 26 -2.536 25.459 12.613 1.00 0.00 C ATOM 362 O ASN A 26 -2.563 26.274 13.534 1.00 0.00 O ATOM 363 CB ASN A 26 -1.439 23.675 13.933 1.00 0.00 C ATOM 364 CG ASN A 26 -1.819 24.231 15.306 1.00 0.00 C ATOM 365 OD1 ASN A 26 -1.209 25.154 15.822 1.00 0.00 O ATOM 366 ND2 ASN A 26 -2.859 23.621 15.869 1.00 0.00 N ATOM 0 H ASN A 26 -1.320 22.988 11.500 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.497 23.634 13.304 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.271 22.600 14.006 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.502 24.122 13.602 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.190 23.920 16.786 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.325 22.855 15.383 1.00 0.00 H new ATOM 373 N GLU A 27 -2.504 25.781 11.328 1.00 0.00 N ATOM 374 CA GLU A 27 -2.499 27.170 10.904 1.00 0.00 C ATOM 375 C GLU A 27 -3.570 27.959 11.661 1.00 0.00 C ATOM 376 O GLU A 27 -3.273 28.983 12.276 1.00 0.00 O ATOM 377 CB GLU A 27 -2.702 27.283 9.392 1.00 0.00 C ATOM 378 CG GLU A 27 -1.389 27.631 8.688 1.00 0.00 C ATOM 379 CD GLU A 27 -1.108 29.133 8.763 1.00 0.00 C ATOM 380 OE1 GLU A 27 -1.645 29.855 7.895 1.00 0.00 O ATOM 381 OE2 GLU A 27 -0.361 29.525 9.686 1.00 0.00 O ATOM 0 H GLU A 27 -2.481 25.103 10.566 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.525 27.598 11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.090 26.342 9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.448 28.048 9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.568 27.080 9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.437 27.318 7.645 1.00 0.00 H new ATOM 388 N ASN A 28 -4.793 27.454 11.590 1.00 0.00 N ATOM 389 CA ASN A 28 -5.909 28.099 12.261 1.00 0.00 C ATOM 390 C ASN A 28 -6.931 27.038 12.676 1.00 0.00 C ATOM 391 O ASN A 28 -6.561 25.916 13.019 1.00 0.00 O ATOM 392 CB ASN A 28 -6.609 29.093 11.332 1.00 0.00 C ATOM 393 CG ASN A 28 -5.603 29.786 10.412 1.00 0.00 C ATOM 394 OD1 ASN A 28 -4.818 30.623 10.826 1.00 0.00 O ATOM 395 ND2 ASN A 28 -5.670 29.393 9.143 1.00 0.00 N ATOM 0 H ASN A 28 -5.036 26.606 11.078 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.520 28.630 13.130 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.356 28.572 10.733 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.139 29.839 11.925 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.040 29.797 8.450 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.351 28.687 8.863 1.00 0.00 H new ATOM 402 N SER A 29 -8.195 27.431 12.631 1.00 0.00 N ATOM 403 CA SER A 29 -9.273 26.528 12.998 1.00 0.00 C ATOM 404 C SER A 29 -10.240 26.364 11.824 1.00 0.00 C ATOM 405 O SER A 29 -11.225 27.094 11.720 1.00 0.00 O ATOM 406 CB SER A 29 -10.019 27.035 14.233 1.00 0.00 C ATOM 407 OG SER A 29 -9.462 26.523 15.441 1.00 0.00 O ATOM 0 H SER A 29 -8.497 28.363 12.346 1.00 0.00 H new ATOM 0 HA SER A 29 -8.839 25.558 13.242 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.989 28.124 14.253 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.068 26.747 14.167 1.00 0.00 H new ATOM 0 HG SER A 29 -9.965 26.871 16.207 1.00 0.00 H new ATOM 413 N GLY A 30 -9.926 25.401 10.970 1.00 0.00 N ATOM 414 CA GLY A 30 -10.755 25.132 9.807 1.00 0.00 C ATOM 415 C GLY A 30 -10.024 25.499 8.515 1.00 0.00 C ATOM 416 O GLY A 30 -10.624 26.046 7.591 1.00 0.00 O ATOM 0 H GLY A 30 -9.109 24.797 11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.028 24.077 9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.682 25.700 9.878 1.00 0.00 H new ATOM 420 N LYS A 31 -8.737 25.183 8.490 1.00 0.00 N ATOM 421 CA LYS A 31 -7.917 25.472 7.326 1.00 0.00 C ATOM 422 C LYS A 31 -7.146 24.213 6.925 1.00 0.00 C ATOM 423 O LYS A 31 -6.530 23.564 7.768 1.00 0.00 O ATOM 424 CB LYS A 31 -7.022 26.684 7.590 1.00 0.00 C ATOM 425 CG LYS A 31 -5.987 26.855 6.476 1.00 0.00 C ATOM 426 CD LYS A 31 -6.178 28.188 5.750 1.00 0.00 C ATOM 427 CE LYS A 31 -7.154 28.041 4.581 1.00 0.00 C ATOM 428 NZ LYS A 31 -7.514 29.370 4.036 1.00 0.00 N ATOM 0 H LYS A 31 -8.242 24.729 9.258 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.543 25.746 6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.634 27.583 7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.515 26.564 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.983 26.807 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.074 26.034 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.552 28.936 6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.217 28.547 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.704 27.430 3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.053 27.522 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.177 29.252 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.963 29.941 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.656 29.852 3.701 1.00 0.00 H new ATOM 442 N PHE A 32 -7.206 23.907 5.637 1.00 0.00 N ATOM 443 CA PHE A 32 -6.521 22.737 5.114 1.00 0.00 C ATOM 444 C PHE A 32 -5.494 23.133 4.051 1.00 0.00 C ATOM 445 O PHE A 32 -5.816 23.862 3.114 1.00 0.00 O ATOM 446 CB PHE A 32 -7.585 21.846 4.471 1.00 0.00 C ATOM 447 CG PHE A 32 -8.732 21.469 5.411 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.690 22.385 5.716 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.793 20.218 5.942 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.754 22.035 6.589 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.857 19.868 6.815 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.815 20.784 7.120 1.00 0.00 C ATOM 0 H PHE A 32 -7.718 24.449 4.941 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.993 22.224 5.918 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.995 22.358 3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.110 20.934 4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.642 23.378 5.294 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.032 19.491 5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.515 22.762 6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.905 18.875 7.237 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.624 20.518 7.784 1.00 0.00 H new ATOM 462 N LEU A 33 -4.280 22.635 4.233 1.00 0.00 N ATOM 463 CA LEU A 33 -3.204 22.928 3.301 1.00 0.00 C ATOM 464 C LEU A 33 -3.249 21.926 2.145 1.00 0.00 C ATOM 465 O LEU A 33 -2.908 20.757 2.319 1.00 0.00 O ATOM 466 CB LEU A 33 -1.859 22.966 4.030 1.00 0.00 C ATOM 467 CG LEU A 33 -1.678 24.098 5.043 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.213 24.535 5.120 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.610 25.270 4.730 1.00 0.00 C ATOM 0 H LEU A 33 -4.017 22.031 5.012 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.334 23.920 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.722 22.017 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.066 23.041 3.285 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.955 23.722 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.111 25.341 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.403 23.690 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.114 24.886 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.460 26.060 5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.389 25.655 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.645 24.931 4.767 1.00 0.00 H new ATOM 481 N ARG A 34 -3.673 22.421 0.992 1.00 0.00 N ATOM 482 CA ARG A 34 -3.768 21.583 -0.192 1.00 0.00 C ATOM 483 C ARG A 34 -2.370 21.230 -0.705 1.00 0.00 C ATOM 484 O ARG A 34 -1.647 22.097 -1.194 1.00 0.00 O ATOM 485 CB ARG A 34 -4.549 22.287 -1.304 1.00 0.00 C ATOM 486 CG ARG A 34 -4.453 21.509 -2.618 1.00 0.00 C ATOM 487 CD ARG A 34 -3.485 22.190 -3.588 1.00 0.00 C ATOM 488 NE ARG A 34 -3.657 21.635 -4.949 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.583 22.057 -5.821 1.00 0.00 C ATOM 490 NH1 ARG A 34 -5.425 23.042 -5.479 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.667 21.495 -7.034 1.00 0.00 N ATOM 0 H ARG A 34 -3.955 23.391 0.852 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.298 20.672 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.594 22.387 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.159 23.295 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.118 20.491 -2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.440 21.436 -3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.665 23.265 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.458 22.042 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.032 20.884 -5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.361 23.470 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.130 23.364 -6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.026 20.745 -7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.372 21.817 -7.697 1.00 0.00 H new ATOM 505 N ARG A 35 -2.032 19.956 -0.577 1.00 0.00 N ATOM 506 CA ARG A 35 -0.734 19.477 -1.021 1.00 0.00 C ATOM 507 C ARG A 35 -0.878 18.124 -1.720 1.00 0.00 C ATOM 508 O ARG A 35 -1.791 17.358 -1.416 1.00 0.00 O ATOM 509 CB ARG A 35 0.233 19.335 0.156 1.00 0.00 C ATOM 510 CG ARG A 35 1.306 20.425 0.119 1.00 0.00 C ATOM 511 CD ARG A 35 0.682 21.814 0.264 1.00 0.00 C ATOM 512 NE ARG A 35 1.593 22.703 1.018 1.00 0.00 N ATOM 513 CZ ARG A 35 1.277 23.944 1.412 1.00 0.00 C ATOM 514 NH1 ARG A 35 0.071 24.451 1.125 1.00 0.00 N ATOM 515 NH2 ARG A 35 2.168 24.679 2.092 1.00 0.00 N ATOM 0 H ARG A 35 -2.635 19.240 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.332 20.210 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.319 19.395 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.706 18.353 0.126 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.025 20.260 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.857 20.366 -0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.482 22.236 -0.721 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.275 21.739 0.780 1.00 0.00 H new ATOM 0 HE ARG A 35 2.520 22.349 1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.607 23.892 0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.170 25.396 1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.087 24.294 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.927 25.624 2.392 1.00 0.00 H new ATOM 529 N TYR A 36 0.037 17.872 -2.645 1.00 0.00 N ATOM 530 CA TYR A 36 0.024 16.624 -3.390 1.00 0.00 C ATOM 531 C TYR A 36 0.721 15.510 -2.607 1.00 0.00 C ATOM 532 O TYR A 36 1.940 15.529 -2.446 1.00 0.00 O ATOM 533 CB TYR A 36 0.806 16.893 -4.677 1.00 0.00 C ATOM 534 CG TYR A 36 0.691 15.779 -5.719 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.541 15.456 -6.251 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.819 15.098 -6.128 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.649 14.408 -7.232 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.711 14.050 -7.110 1.00 0.00 C ATOM 539 CZ TYR A 36 0.482 13.757 -7.613 1.00 0.00 C ATOM 540 OH TYR A 36 0.380 12.766 -8.540 1.00 0.00 O ATOM 0 H TYR A 36 0.792 18.511 -2.895 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.000 16.303 -3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.452 17.826 -5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.857 17.036 -4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.424 15.989 -5.931 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.783 15.351 -5.712 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.607 14.145 -7.656 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.586 13.509 -7.439 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.434 12.246 -8.375 1.00 0.00 H new ATOM 550 N PHE A 37 -0.083 14.566 -2.140 1.00 0.00 N ATOM 551 CA PHE A 37 0.441 13.446 -1.377 1.00 0.00 C ATOM 552 C PHE A 37 0.850 12.297 -2.301 1.00 0.00 C ATOM 553 O PHE A 37 0.304 12.150 -3.394 1.00 0.00 O ATOM 554 CB PHE A 37 -0.682 12.969 -0.454 1.00 0.00 C ATOM 555 CG PHE A 37 -0.850 13.813 0.810 1.00 0.00 C ATOM 556 CD1 PHE A 37 -0.871 15.170 0.724 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.977 13.207 2.021 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.027 15.954 1.898 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.133 13.991 3.195 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.154 15.348 3.108 1.00 0.00 C ATOM 0 H PHE A 37 -1.094 14.554 -2.275 1.00 0.00 H new ATOM 0 HA PHE A 37 1.323 13.757 -0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.620 12.973 -1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.487 11.936 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.769 15.652 -0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.959 12.129 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.045 17.032 1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.235 13.510 4.156 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.272 15.944 4.001 1.00 0.00 H new ATOM 570 N ILE A 38 1.806 11.512 -1.829 1.00 0.00 N ATOM 571 CA ILE A 38 2.294 10.380 -2.599 1.00 0.00 C ATOM 572 C ILE A 38 2.715 9.262 -1.643 1.00 0.00 C ATOM 573 O ILE A 38 3.719 9.385 -0.943 1.00 0.00 O ATOM 574 CB ILE A 38 3.403 10.822 -3.556 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.827 11.599 -4.741 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.245 9.627 -4.008 1.00 0.00 C ATOM 577 CD1 ILE A 38 3.941 12.089 -5.668 1.00 0.00 C ATOM 0 H ILE A 38 2.256 11.637 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 38 1.502 9.978 -3.230 1.00 0.00 H new ATOM 0 HB ILE A 38 4.068 11.500 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.139 10.963 -5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.251 12.450 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.026 9.968 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.702 9.154 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.608 8.906 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.505 12.638 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.613 12.744 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.500 11.234 -6.049 1.00 0.00 H new ATOM 589 N LEU A 39 1.927 8.197 -1.645 1.00 0.00 N ATOM 590 CA LEU A 39 2.206 7.058 -0.787 1.00 0.00 C ATOM 591 C LEU A 39 3.370 6.256 -1.373 1.00 0.00 C ATOM 592 O LEU A 39 3.194 5.518 -2.342 1.00 0.00 O ATOM 593 CB LEU A 39 0.938 6.230 -0.567 1.00 0.00 C ATOM 594 CG LEU A 39 0.910 5.370 0.699 1.00 0.00 C ATOM 595 CD1 LEU A 39 1.004 6.239 1.954 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.323 4.465 0.719 1.00 0.00 C ATOM 0 H LEU A 39 1.095 8.099 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 39 2.516 7.394 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.085 6.908 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.800 5.577 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 39 1.786 4.721 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.982 5.603 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.936 6.804 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.161 6.930 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.319 3.865 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.224 5.077 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.306 3.807 -0.150 1.00 0.00 H new ATOM 608 N ASP A 40 4.532 6.428 -0.762 1.00 0.00 N ATOM 609 CA ASP A 40 5.725 5.729 -1.211 1.00 0.00 C ATOM 610 C ASP A 40 5.984 4.531 -0.295 1.00 0.00 C ATOM 611 O ASP A 40 6.263 4.701 0.891 1.00 0.00 O ATOM 612 CB ASP A 40 6.952 6.641 -1.155 1.00 0.00 C ATOM 613 CG ASP A 40 8.217 6.063 -1.789 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.299 4.817 -1.859 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.075 6.878 -2.190 1.00 0.00 O ATOM 0 H ASP A 40 4.674 7.041 0.041 1.00 0.00 H new ATOM 0 HA ASP A 40 5.561 5.409 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.711 7.580 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.162 6.878 -0.112 1.00 0.00 H new ATOM 620 N THR A 41 5.883 3.347 -0.881 1.00 0.00 N ATOM 621 CA THR A 41 6.103 2.121 -0.132 1.00 0.00 C ATOM 622 C THR A 41 7.600 1.823 -0.026 1.00 0.00 C ATOM 623 O THR A 41 8.027 1.079 0.856 1.00 0.00 O ATOM 624 CB THR A 41 5.308 1.004 -0.810 1.00 0.00 C ATOM 625 OG1 THR A 41 6.093 0.659 -1.948 1.00 0.00 O ATOM 626 CG2 THR A 41 3.989 1.502 -1.405 1.00 0.00 C ATOM 0 H THR A 41 5.652 3.210 -1.865 1.00 0.00 H new ATOM 0 HA THR A 41 5.748 2.215 0.894 1.00 0.00 H new ATOM 0 HB THR A 41 5.105 0.214 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.651 -0.061 -2.445 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.464 0.670 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.369 1.922 -0.614 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.193 2.269 -2.152 1.00 0.00 H new ATOM 634 N GLN A 42 8.356 2.418 -0.936 1.00 0.00 N ATOM 635 CA GLN A 42 9.796 2.226 -0.956 1.00 0.00 C ATOM 636 C GLN A 42 10.455 3.037 0.161 1.00 0.00 C ATOM 637 O GLN A 42 11.356 2.548 0.840 1.00 0.00 O ATOM 638 CB GLN A 42 10.380 2.596 -2.320 1.00 0.00 C ATOM 639 CG GLN A 42 9.791 1.717 -3.426 1.00 0.00 C ATOM 640 CD GLN A 42 10.777 0.623 -3.841 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.643 0.213 -3.085 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.599 0.175 -5.080 1.00 0.00 N ATOM 0 H GLN A 42 7.998 3.034 -1.666 1.00 0.00 H new ATOM 0 HA GLN A 42 10.004 1.170 -0.783 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.174 3.644 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.464 2.482 -2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.863 1.262 -3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.541 2.333 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.854 0.562 -5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.207 -0.555 -5.450 1.00 0.00 H new ATOM 651 N ALA A 43 9.980 4.264 0.317 1.00 0.00 N ATOM 652 CA ALA A 43 10.512 5.148 1.340 1.00 0.00 C ATOM 653 C ALA A 43 9.910 4.772 2.696 1.00 0.00 C ATOM 654 O ALA A 43 10.500 5.051 3.739 1.00 0.00 O ATOM 655 CB ALA A 43 10.226 6.602 0.958 1.00 0.00 C ATOM 0 H ALA A 43 9.232 4.667 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 43 11.594 5.038 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.625 7.265 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.699 6.827 0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.150 6.751 0.874 1.00 0.00 H new ATOM 661 N ASN A 44 8.745 4.146 2.637 1.00 0.00 N ATOM 662 CA ASN A 44 8.057 3.729 3.847 1.00 0.00 C ATOM 663 C ASN A 44 7.622 4.967 4.634 1.00 0.00 C ATOM 664 O ASN A 44 7.523 4.925 5.859 1.00 0.00 O ATOM 665 CB ASN A 44 8.976 2.897 4.744 1.00 0.00 C ATOM 666 CG ASN A 44 8.189 2.250 5.886 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.365 1.373 5.687 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.489 2.731 7.089 1.00 0.00 N ATOM 0 H ASN A 44 8.259 3.917 1.770 1.00 0.00 H new ATOM 0 HA ASN A 44 7.196 3.127 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.466 2.124 4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.762 3.531 5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.018 2.365 7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.190 3.466 7.184 1.00 0.00 H new ATOM 675 N CYS A 45 7.375 6.040 3.898 1.00 0.00 N ATOM 676 CA CYS A 45 6.953 7.288 4.511 1.00 0.00 C ATOM 677 C CYS A 45 6.049 8.028 3.523 1.00 0.00 C ATOM 678 O CYS A 45 6.099 7.774 2.321 1.00 0.00 O ATOM 679 CB CYS A 45 8.150 8.141 4.938 1.00 0.00 C ATOM 680 SG CYS A 45 9.369 7.107 5.829 1.00 0.00 S ATOM 0 H CYS A 45 7.459 6.071 2.882 1.00 0.00 H new ATOM 0 HA CYS A 45 6.396 7.077 5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.615 8.593 4.062 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.816 8.957 5.579 1.00 0.00 H new ATOM 0 HG CYS A 45 8.756 6.122 6.416 1.00 0.00 H new ATOM 686 N LEU A 46 5.244 8.928 4.067 1.00 0.00 N ATOM 687 CA LEU A 46 4.330 9.707 3.249 1.00 0.00 C ATOM 688 C LEU A 46 4.906 11.108 3.041 1.00 0.00 C ATOM 689 O LEU A 46 5.253 11.790 4.004 1.00 0.00 O ATOM 690 CB LEU A 46 2.927 9.703 3.860 1.00 0.00 C ATOM 691 CG LEU A 46 1.826 10.348 3.017 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.194 11.784 2.640 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.508 9.496 1.786 1.00 0.00 C ATOM 0 H LEU A 46 5.205 9.135 5.065 1.00 0.00 H new ATOM 0 HA LEU A 46 4.224 9.256 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.644 8.670 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.969 10.216 4.821 1.00 0.00 H new ATOM 0 HG LEU A 46 0.919 10.396 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.394 12.219 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.331 12.374 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.119 11.783 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.722 9.977 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.403 9.394 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.172 8.509 2.104 1.00 0.00 H new ATOM 705 N LEU A 47 4.990 11.497 1.777 1.00 0.00 N ATOM 706 CA LEU A 47 5.518 12.806 1.430 1.00 0.00 C ATOM 707 C LEU A 47 4.494 13.553 0.573 1.00 0.00 C ATOM 708 O LEU A 47 4.056 13.048 -0.459 1.00 0.00 O ATOM 709 CB LEU A 47 6.891 12.671 0.770 1.00 0.00 C ATOM 710 CG LEU A 47 7.900 11.778 1.495 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.909 11.180 0.513 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.588 12.539 2.631 1.00 0.00 C ATOM 0 H LEU A 47 4.701 10.929 0.981 1.00 0.00 H new ATOM 0 HA LEU A 47 5.679 13.403 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.750 12.282 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.323 13.667 0.670 1.00 0.00 H new ATOM 0 HG LEU A 47 7.358 10.946 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.614 10.550 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.383 10.580 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.450 11.983 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.300 11.882 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.114 13.402 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.840 12.875 3.349 1.00 0.00 H new ATOM 724 N TRP A 48 4.143 14.745 1.033 1.00 0.00 N ATOM 725 CA TRP A 48 3.179 15.568 0.321 1.00 0.00 C ATOM 726 C TRP A 48 3.889 16.847 -0.128 1.00 0.00 C ATOM 727 O TRP A 48 4.473 17.556 0.689 1.00 0.00 O ATOM 728 CB TRP A 48 1.947 15.840 1.186 1.00 0.00 C ATOM 729 CG TRP A 48 2.244 16.630 2.462 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.487 17.942 2.583 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.321 16.100 3.802 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.713 18.296 3.897 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.609 17.140 4.663 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.152 14.786 4.272 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.754 16.974 6.045 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.300 14.636 5.657 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.590 15.673 6.536 1.00 0.00 C ATOM 0 H TRP A 48 4.509 15.161 1.890 1.00 0.00 H new ATOM 0 HA TRP A 48 2.806 15.049 -0.562 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.214 16.388 0.594 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.490 14.889 1.458 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.504 18.636 1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.919 19.233 4.243 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.926 13.958 3.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.980 17.804 6.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.180 13.646 6.071 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.688 15.476 7.593 1.00 0.00 H new ATOM 748 N TYR A 49 3.815 17.102 -1.426 1.00 0.00 N ATOM 749 CA TYR A 49 4.443 18.283 -1.994 1.00 0.00 C ATOM 750 C TYR A 49 3.395 19.241 -2.564 1.00 0.00 C ATOM 751 O TYR A 49 2.318 18.814 -2.976 1.00 0.00 O ATOM 752 CB TYR A 49 5.331 17.781 -3.133 1.00 0.00 C ATOM 753 CG TYR A 49 6.074 16.481 -2.818 1.00 0.00 C ATOM 754 CD1 TYR A 49 5.432 15.268 -2.959 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.386 16.523 -2.391 1.00 0.00 C ATOM 756 CE1 TYR A 49 6.131 14.045 -2.662 1.00 0.00 C ATOM 757 CE2 TYR A 49 8.085 15.299 -2.094 1.00 0.00 C ATOM 758 CZ TYR A 49 7.423 14.121 -2.244 1.00 0.00 C ATOM 759 OH TYR A 49 8.084 12.965 -1.964 1.00 0.00 O ATOM 0 H TYR A 49 3.330 16.511 -2.101 1.00 0.00 H new ATOM 0 HA TYR A 49 5.005 18.823 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.716 17.630 -4.020 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.060 18.553 -3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.405 15.236 -3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.888 17.473 -2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.640 13.089 -2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.112 15.317 -1.760 1.00 0.00 H new ATOM 0 HH TYR A 49 9.046 13.143 -1.912 1.00 0.00 H new ATOM 769 N MET A 50 3.747 20.518 -2.568 1.00 0.00 N ATOM 770 CA MET A 50 2.851 21.540 -3.080 1.00 0.00 C ATOM 771 C MET A 50 2.240 21.114 -4.417 1.00 0.00 C ATOM 772 O MET A 50 1.066 21.373 -4.678 1.00 0.00 O ATOM 773 CB MET A 50 3.621 22.849 -3.266 1.00 0.00 C ATOM 774 CG MET A 50 4.282 23.286 -1.957 1.00 0.00 C ATOM 775 SD MET A 50 4.399 25.066 -1.896 1.00 0.00 S ATOM 776 CE MET A 50 3.613 25.375 -0.323 1.00 0.00 C ATOM 0 H MET A 50 4.641 20.868 -2.224 1.00 0.00 H new ATOM 0 HA MET A 50 2.044 21.682 -2.361 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.381 22.722 -4.037 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.942 23.628 -3.613 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.703 22.922 -1.108 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.276 22.845 -1.877 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.049 26.264 0.133 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.545 25.531 -0.474 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.765 24.519 0.334 1.00 0.00 H new ATOM 786 N ASP A 51 3.064 20.467 -5.228 1.00 0.00 N ATOM 787 CA ASP A 51 2.619 20.002 -6.531 1.00 0.00 C ATOM 788 C ASP A 51 3.446 18.781 -6.941 1.00 0.00 C ATOM 789 O ASP A 51 4.444 18.459 -6.299 1.00 0.00 O ATOM 790 CB ASP A 51 2.811 21.083 -7.596 1.00 0.00 C ATOM 791 CG ASP A 51 1.537 21.828 -7.999 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.787 22.210 -7.074 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.342 21.998 -9.221 1.00 0.00 O ATOM 0 H ASP A 51 4.037 20.254 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 51 1.560 19.753 -6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.537 21.808 -7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.242 20.623 -8.485 1.00 0.00 H new ATOM 798 N ASN A 52 2.999 18.136 -8.009 1.00 0.00 N ATOM 799 CA ASN A 52 3.685 16.958 -8.512 1.00 0.00 C ATOM 800 C ASN A 52 5.193 17.213 -8.514 1.00 0.00 C ATOM 801 O ASN A 52 5.637 18.330 -8.774 1.00 0.00 O ATOM 802 CB ASN A 52 3.257 16.643 -9.947 1.00 0.00 C ATOM 803 CG ASN A 52 1.734 16.685 -10.087 1.00 0.00 C ATOM 804 OD1 ASN A 52 1.116 17.737 -10.114 1.00 0.00 O ATOM 805 ND2 ASN A 52 1.166 15.486 -10.175 1.00 0.00 N ATOM 0 H ASN A 52 2.171 18.407 -8.539 1.00 0.00 H new ATOM 0 HA ASN A 52 3.430 16.118 -7.866 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.709 17.362 -10.631 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.625 15.657 -10.232 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.154 15.407 -10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.743 14.645 -10.146 1.00 0.00 H new ATOM 812 N PRO A 53 5.959 16.131 -8.212 1.00 0.00 N ATOM 813 CA PRO A 53 7.409 16.226 -8.176 1.00 0.00 C ATOM 814 C PRO A 53 7.990 16.287 -9.590 1.00 0.00 C ATOM 815 O PRO A 53 9.107 16.761 -9.786 1.00 0.00 O ATOM 816 CB PRO A 53 7.865 15.002 -7.399 1.00 0.00 C ATOM 817 CG PRO A 53 6.697 14.030 -7.430 1.00 0.00 C ATOM 818 CD PRO A 53 5.468 14.792 -7.898 1.00 0.00 C ATOM 0 HA PRO A 53 7.758 17.139 -7.695 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.753 14.560 -7.852 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.127 15.265 -6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.910 13.199 -8.103 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.528 13.604 -6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.018 14.320 -8.772 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.702 14.823 -7.123 1.00 0.00 H new ATOM 826 N GLN A 54 7.204 15.799 -10.539 1.00 0.00 N ATOM 827 CA GLN A 54 7.627 15.791 -11.930 1.00 0.00 C ATOM 828 C GLN A 54 7.657 17.217 -12.483 1.00 0.00 C ATOM 829 O GLN A 54 8.170 17.452 -13.576 1.00 0.00 O ATOM 830 CB GLN A 54 6.718 14.895 -12.774 1.00 0.00 C ATOM 831 CG GLN A 54 7.314 13.494 -12.922 1.00 0.00 C ATOM 832 CD GLN A 54 8.134 13.380 -14.208 1.00 0.00 C ATOM 833 OE1 GLN A 54 7.754 13.862 -15.262 1.00 0.00 O ATOM 834 NE2 GLN A 54 9.278 12.717 -14.064 1.00 0.00 N ATOM 0 H GLN A 54 6.277 15.407 -10.372 1.00 0.00 H new ATOM 0 HA GLN A 54 8.636 15.381 -11.981 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.734 14.828 -12.310 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.576 15.340 -13.759 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.946 13.271 -12.062 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.514 12.754 -12.930 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.537 12.338 -13.153 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.896 12.587 -14.865 1.00 0.00 H new ATOM 843 N ASN A 55 7.102 18.133 -11.702 1.00 0.00 N ATOM 844 CA ASN A 55 7.060 19.530 -12.100 1.00 0.00 C ATOM 845 C ASN A 55 8.049 20.328 -11.249 1.00 0.00 C ATOM 846 O ASN A 55 8.568 21.352 -11.691 1.00 0.00 O ATOM 847 CB ASN A 55 5.665 20.121 -11.885 1.00 0.00 C ATOM 848 CG ASN A 55 4.675 19.581 -12.918 1.00 0.00 C ATOM 849 OD1 ASN A 55 5.045 19.067 -13.961 1.00 0.00 O ATOM 850 ND2 ASN A 55 3.399 19.725 -12.571 1.00 0.00 N ATOM 0 H ASN A 55 6.678 17.935 -10.796 1.00 0.00 H new ATOM 0 HA ASN A 55 7.317 19.588 -13.158 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.315 19.881 -10.881 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.712 21.208 -11.955 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.661 19.396 -13.193 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.159 20.165 -11.683 1.00 0.00 H new ATOM 857 N LEU A 56 8.280 19.830 -10.043 1.00 0.00 N ATOM 858 CA LEU A 56 9.198 20.484 -9.127 1.00 0.00 C ATOM 859 C LEU A 56 10.626 20.354 -9.661 1.00 0.00 C ATOM 860 O LEU A 56 10.833 19.887 -10.780 1.00 0.00 O ATOM 861 CB LEU A 56 9.020 19.937 -7.709 1.00 0.00 C ATOM 862 CG LEU A 56 7.665 20.206 -7.051 1.00 0.00 C ATOM 863 CD1 LEU A 56 7.730 19.966 -5.542 1.00 0.00 C ATOM 864 CD2 LEU A 56 7.162 21.612 -7.387 1.00 0.00 C ATOM 0 H LEU A 56 7.847 18.981 -9.679 1.00 0.00 H new ATOM 0 HA LEU A 56 8.977 21.550 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.182 18.859 -7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.799 20.362 -7.077 1.00 0.00 H new ATOM 0 HG LEU A 56 6.942 19.499 -7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.754 20.165 -5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.012 18.931 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.471 20.632 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.197 21.778 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.878 22.350 -7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.052 21.711 -8.467 1.00 0.00 H new ATOM 876 N ALA A 57 11.573 20.775 -8.836 1.00 0.00 N ATOM 877 CA ALA A 57 12.975 20.711 -9.212 1.00 0.00 C ATOM 878 C ALA A 57 13.658 19.589 -8.427 1.00 0.00 C ATOM 879 O ALA A 57 13.195 19.206 -7.354 1.00 0.00 O ATOM 880 CB ALA A 57 13.631 22.072 -8.972 1.00 0.00 C ATOM 0 H ALA A 57 11.397 21.162 -7.909 1.00 0.00 H new ATOM 0 HA ALA A 57 13.078 20.482 -10.273 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.683 22.024 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.128 22.829 -9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.550 22.334 -7.917 1.00 0.00 H new ATOM 886 N VAL A 58 14.750 19.094 -8.993 1.00 0.00 N ATOM 887 CA VAL A 58 15.501 18.023 -8.360 1.00 0.00 C ATOM 888 C VAL A 58 15.847 18.428 -6.925 1.00 0.00 C ATOM 889 O VAL A 58 15.791 17.604 -6.014 1.00 0.00 O ATOM 890 CB VAL A 58 16.735 17.683 -9.198 1.00 0.00 C ATOM 891 CG1 VAL A 58 17.391 18.951 -9.747 1.00 0.00 C ATOM 892 CG2 VAL A 58 17.735 16.853 -8.391 1.00 0.00 C ATOM 0 H VAL A 58 15.132 19.415 -9.883 1.00 0.00 H new ATOM 0 HA VAL A 58 14.900 17.115 -8.307 1.00 0.00 H new ATOM 0 HB VAL A 58 16.408 17.081 -10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.266 18.681 -10.339 1.00 0.00 H new ATOM 0 HG12 VAL A 58 16.679 19.486 -10.375 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.697 19.590 -8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 58 18.602 16.625 -9.010 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.053 17.418 -7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 58 17.263 15.924 -8.072 1.00 0.00 H new ATOM 902 N GLY A 59 16.195 19.697 -6.770 1.00 0.00 N ATOM 903 CA GLY A 59 16.550 20.221 -5.462 1.00 0.00 C ATOM 904 C GLY A 59 15.305 20.678 -4.699 1.00 0.00 C ATOM 905 O GLY A 59 15.352 21.658 -3.957 1.00 0.00 O ATOM 0 H GLY A 59 16.239 20.378 -7.528 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.072 19.455 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.239 21.058 -5.576 1.00 0.00 H new ATOM 909 N ALA A 60 14.220 19.947 -4.907 1.00 0.00 N ATOM 910 CA ALA A 60 12.965 20.265 -4.248 1.00 0.00 C ATOM 911 C ALA A 60 12.771 19.332 -3.052 1.00 0.00 C ATOM 912 O ALA A 60 13.587 18.442 -2.815 1.00 0.00 O ATOM 913 CB ALA A 60 11.819 20.166 -5.257 1.00 0.00 C ATOM 0 H ALA A 60 14.184 19.135 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 60 12.979 21.287 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.877 20.405 -4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.990 20.870 -6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.773 19.153 -5.657 1.00 0.00 H new ATOM 919 N GLY A 61 11.685 19.565 -2.329 1.00 0.00 N ATOM 920 CA GLY A 61 11.373 18.756 -1.163 1.00 0.00 C ATOM 921 C GLY A 61 9.873 18.778 -0.866 1.00 0.00 C ATOM 922 O GLY A 61 9.079 19.226 -1.693 1.00 0.00 O ATOM 0 H GLY A 61 11.010 20.303 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.699 17.729 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.924 19.129 -0.299 1.00 0.00 H new ATOM 926 N ALA A 62 9.529 18.289 0.316 1.00 0.00 N ATOM 927 CA ALA A 62 8.138 18.247 0.733 1.00 0.00 C ATOM 928 C ALA A 62 7.934 19.200 1.912 1.00 0.00 C ATOM 929 O ALA A 62 8.818 19.348 2.755 1.00 0.00 O ATOM 930 CB ALA A 62 7.750 16.806 1.073 1.00 0.00 C ATOM 0 H ALA A 62 10.190 17.918 0.999 1.00 0.00 H new ATOM 0 HA ALA A 62 7.485 18.578 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.706 16.774 1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.884 16.176 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.382 16.440 1.882 1.00 0.00 H new ATOM 936 N VAL A 63 6.763 19.820 1.935 1.00 0.00 N ATOM 937 CA VAL A 63 6.432 20.755 2.997 1.00 0.00 C ATOM 938 C VAL A 63 6.293 19.992 4.316 1.00 0.00 C ATOM 939 O VAL A 63 6.455 20.568 5.391 1.00 0.00 O ATOM 940 CB VAL A 63 5.175 21.544 2.627 1.00 0.00 C ATOM 941 CG1 VAL A 63 5.457 22.519 1.482 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.021 20.603 2.274 1.00 0.00 C ATOM 0 H VAL A 63 6.032 19.693 1.235 1.00 0.00 H new ATOM 0 HA VAL A 63 7.231 21.485 3.126 1.00 0.00 H new ATOM 0 HB VAL A 63 4.877 22.127 3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.547 23.067 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.234 23.221 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.792 21.964 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.140 21.189 2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.305 19.981 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.795 19.967 3.130 1.00 0.00 H new ATOM 952 N GLY A 64 5.992 18.707 4.191 1.00 0.00 N ATOM 953 CA GLY A 64 5.829 17.860 5.360 1.00 0.00 C ATOM 954 C GLY A 64 6.026 16.386 5.001 1.00 0.00 C ATOM 955 O GLY A 64 6.055 16.029 3.824 1.00 0.00 O ATOM 0 H GLY A 64 5.857 18.233 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.547 18.150 6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.835 18.005 5.783 1.00 0.00 H new ATOM 959 N SER A 65 6.156 15.570 6.036 1.00 0.00 N ATOM 960 CA SER A 65 6.350 14.142 5.844 1.00 0.00 C ATOM 961 C SER A 65 5.591 13.362 6.919 1.00 0.00 C ATOM 962 O SER A 65 5.168 13.933 7.923 1.00 0.00 O ATOM 963 CB SER A 65 7.836 13.779 5.874 1.00 0.00 C ATOM 964 OG SER A 65 8.470 14.222 7.070 1.00 0.00 O ATOM 0 H SER A 65 6.131 15.870 7.011 1.00 0.00 H new ATOM 0 HA SER A 65 5.958 13.872 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.947 12.698 5.784 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.335 14.224 5.013 1.00 0.00 H new ATOM 0 HG SER A 65 9.417 13.970 7.051 1.00 0.00 H new ATOM 970 N LEU A 66 5.442 12.069 6.673 1.00 0.00 N ATOM 971 CA LEU A 66 4.742 11.204 7.607 1.00 0.00 C ATOM 972 C LEU A 66 5.376 9.812 7.581 1.00 0.00 C ATOM 973 O LEU A 66 5.363 9.140 6.551 1.00 0.00 O ATOM 974 CB LEU A 66 3.241 11.202 7.313 1.00 0.00 C ATOM 975 CG LEU A 66 2.345 11.816 8.391 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.889 11.877 7.925 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.491 11.067 9.717 1.00 0.00 C ATOM 0 H LEU A 66 5.795 11.599 5.839 1.00 0.00 H new ATOM 0 HA LEU A 66 4.844 11.581 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.073 11.739 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.924 10.172 7.149 1.00 0.00 H new ATOM 0 HG LEU A 66 2.671 12.842 8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.274 12.317 8.710 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.820 12.488 7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.534 10.870 7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.844 11.523 10.466 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.207 10.024 9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.527 11.119 10.052 1.00 0.00 H new ATOM 989 N GLN A 67 5.915 9.421 8.726 1.00 0.00 N ATOM 990 CA GLN A 67 6.553 8.121 8.847 1.00 0.00 C ATOM 991 C GLN A 67 5.501 7.032 9.068 1.00 0.00 C ATOM 992 O GLN A 67 4.891 6.960 10.134 1.00 0.00 O ATOM 993 CB GLN A 67 7.587 8.120 9.975 1.00 0.00 C ATOM 994 CG GLN A 67 8.401 9.416 9.973 1.00 0.00 C ATOM 995 CD GLN A 67 8.541 9.973 8.555 1.00 0.00 C ATOM 996 OE1 GLN A 67 7.926 10.960 8.184 1.00 0.00 O ATOM 997 NE2 GLN A 67 9.382 9.289 7.785 1.00 0.00 N ATOM 0 H GLN A 67 5.923 9.981 9.578 1.00 0.00 H new ATOM 0 HA GLN A 67 7.079 7.908 7.916 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.084 8.004 10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.255 7.266 9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.917 10.155 10.612 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.389 9.230 10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.865 8.472 8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.544 9.582 6.821 1.00 0.00 H new ATOM 1006 N LEU A 68 5.321 6.212 8.043 1.00 0.00 N ATOM 1007 CA LEU A 68 4.353 5.130 8.112 1.00 0.00 C ATOM 1008 C LEU A 68 4.414 4.484 9.498 1.00 0.00 C ATOM 1009 O LEU A 68 3.383 4.127 10.066 1.00 0.00 O ATOM 1010 CB LEU A 68 4.570 4.143 6.964 1.00 0.00 C ATOM 1011 CG LEU A 68 4.345 4.693 5.554 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.419 3.577 4.511 1.00 0.00 C ATOM 1013 CD2 LEU A 68 3.027 5.467 5.472 1.00 0.00 C ATOM 0 H LEU A 68 5.829 6.275 7.161 1.00 0.00 H new ATOM 0 HA LEU A 68 3.342 5.515 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.590 3.763 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.904 3.293 7.111 1.00 0.00 H new ATOM 0 HG LEU A 68 5.147 5.396 5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.256 3.996 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.402 3.108 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.652 2.831 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.891 5.847 4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.199 4.804 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.051 6.301 6.173 1.00 0.00 H new ATOM 1025 N THR A 69 5.632 4.354 10.002 1.00 0.00 N ATOM 1026 CA THR A 69 5.841 3.758 11.310 1.00 0.00 C ATOM 1027 C THR A 69 4.782 4.252 12.297 1.00 0.00 C ATOM 1028 O THR A 69 4.260 3.475 13.095 1.00 0.00 O ATOM 1029 CB THR A 69 7.273 4.070 11.749 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.223 4.002 13.172 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.672 5.518 11.459 1.00 0.00 C ATOM 0 H THR A 69 6.485 4.651 9.528 1.00 0.00 H new ATOM 0 HA THR A 69 5.726 2.675 11.273 1.00 0.00 H new ATOM 0 HB THR A 69 7.963 3.395 11.242 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.112 4.190 13.540 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.697 5.686 11.790 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.601 5.708 10.388 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.003 6.193 11.992 1.00 0.00 H new ATOM 1039 N TYR A 70 4.494 5.543 12.210 1.00 0.00 N ATOM 1040 CA TYR A 70 3.506 6.150 13.085 1.00 0.00 C ATOM 1041 C TYR A 70 2.112 5.579 12.818 1.00 0.00 C ATOM 1042 O TYR A 70 1.502 4.982 13.704 1.00 0.00 O ATOM 1043 CB TYR A 70 3.506 7.643 12.749 1.00 0.00 C ATOM 1044 CG TYR A 70 4.650 8.426 13.397 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.941 7.944 13.330 1.00 0.00 C ATOM 1046 CD2 TYR A 70 4.390 9.615 14.047 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.018 8.682 13.940 1.00 0.00 C ATOM 1048 CE2 TYR A 70 5.466 10.353 14.657 1.00 0.00 C ATOM 1049 CZ TYR A 70 6.727 9.850 14.573 1.00 0.00 C ATOM 1050 OH TYR A 70 7.743 10.546 15.148 1.00 0.00 O ATOM 0 H TYR A 70 4.928 6.185 11.547 1.00 0.00 H new ATOM 0 HA TYR A 70 3.748 5.956 14.130 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.565 7.762 11.667 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.557 8.076 13.066 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.144 7.014 12.820 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.379 9.992 14.098 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.033 8.316 13.895 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.276 11.285 15.169 1.00 0.00 H new ATOM 0 HH TYR A 70 7.388 11.360 15.563 1.00 0.00 H new ATOM 1060 N ILE A 71 1.649 5.783 11.594 1.00 0.00 N ATOM 1061 CA ILE A 71 0.339 5.296 11.198 1.00 0.00 C ATOM 1062 C ILE A 71 0.125 3.894 11.774 1.00 0.00 C ATOM 1063 O ILE A 71 1.042 3.075 11.778 1.00 0.00 O ATOM 1064 CB ILE A 71 0.176 5.368 9.679 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.183 6.819 9.195 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.079 4.619 9.226 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.470 7.135 8.429 1.00 0.00 C ATOM 0 H ILE A 71 2.158 6.279 10.863 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.444 5.933 11.609 1.00 0.00 H new ATOM 0 HB ILE A 71 1.031 4.871 9.220 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.680 6.996 8.553 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.089 7.491 10.048 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.171 4.686 8.142 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.004 3.572 9.520 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.957 5.065 9.693 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.450 8.173 8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.329 6.980 9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.549 6.477 7.563 1.00 0.00 H new ATOM 1079 N SER A 72 -1.091 3.662 12.246 1.00 0.00 N ATOM 1080 CA SER A 72 -1.436 2.374 12.823 1.00 0.00 C ATOM 1081 C SER A 72 -2.712 1.834 12.172 1.00 0.00 C ATOM 1082 O SER A 72 -2.795 0.650 11.850 1.00 0.00 O ATOM 1083 CB SER A 72 -1.618 2.480 14.338 1.00 0.00 C ATOM 1084 OG SER A 72 -0.859 1.496 15.037 1.00 0.00 O ATOM 0 H SER A 72 -1.849 4.344 12.241 1.00 0.00 H new ATOM 0 HA SER A 72 -0.616 1.682 12.630 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.317 3.474 14.671 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.674 2.367 14.585 1.00 0.00 H new ATOM 0 HG SER A 72 -1.001 1.598 16.001 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.673 2.729 11.998 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.940 2.357 11.392 1.00 0.00 C ATOM 1092 C LYS A 73 -5.463 3.527 10.555 1.00 0.00 C ATOM 1093 O LYS A 73 -5.289 4.687 10.926 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.925 1.877 12.460 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.359 1.884 11.926 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.750 0.506 11.386 1.00 0.00 C ATOM 1097 CE LYS A 73 -7.565 0.439 9.869 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.272 -0.736 9.312 1.00 0.00 N ATOM 0 H LYS A 73 -3.600 3.710 12.266 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.805 1.514 10.714 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.657 0.870 12.780 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.857 2.520 13.338 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.045 2.175 12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.453 2.628 11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.142 -0.262 11.864 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.789 0.294 11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.946 1.351 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.504 0.380 9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.001 -0.865 8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.014 -1.585 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.299 -0.585 9.374 1.00 0.00 H new ATOM 1112 N VAL A 74 -6.092 3.182 9.441 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.641 4.189 8.549 1.00 0.00 C ATOM 1114 C VAL A 74 -8.109 3.865 8.264 1.00 0.00 C ATOM 1115 O VAL A 74 -8.410 3.042 7.401 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.792 4.282 7.280 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.322 5.370 6.344 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.320 4.522 7.621 1.00 0.00 C ATOM 0 H VAL A 74 -6.234 2.219 9.136 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.610 5.173 9.017 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.864 3.327 6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.700 5.415 5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.349 5.138 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.295 6.333 6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.739 4.584 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.222 5.455 8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.949 3.698 8.230 1.00 0.00 H new ATOM 1128 N SER A 75 -8.983 4.531 9.004 1.00 0.00 N ATOM 1129 CA SER A 75 -10.412 4.324 8.842 1.00 0.00 C ATOM 1130 C SER A 75 -11.079 5.622 8.381 1.00 0.00 C ATOM 1131 O SER A 75 -10.528 6.706 8.564 1.00 0.00 O ATOM 1132 CB SER A 75 -11.049 3.833 10.143 1.00 0.00 C ATOM 1133 OG SER A 75 -12.470 3.767 10.050 1.00 0.00 O ATOM 0 H SER A 75 -8.729 5.214 9.717 1.00 0.00 H new ATOM 0 HA SER A 75 -10.563 3.556 8.084 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.656 2.847 10.390 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.770 4.501 10.958 1.00 0.00 H new ATOM 0 HG SER A 75 -12.839 3.448 10.900 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.256 5.468 7.791 1.00 0.00 N ATOM 1140 CA ILE A 76 -13.003 6.614 7.303 1.00 0.00 C ATOM 1141 C ILE A 76 -13.538 7.414 8.493 1.00 0.00 C ATOM 1142 O ILE A 76 -14.259 6.877 9.333 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.091 6.167 6.325 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.505 5.288 5.217 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.851 7.369 5.761 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.163 5.841 4.732 1.00 0.00 C ATOM 0 H ILE A 76 -12.710 4.567 7.640 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.351 7.280 6.738 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.812 5.559 6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.371 4.271 5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.204 5.235 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.618 7.022 5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.320 7.918 6.577 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.157 8.024 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.768 5.199 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.305 6.849 4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.459 5.870 5.564 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.163 8.685 8.527 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.596 9.564 9.600 1.00 0.00 C ATOM 1160 C ALA A 77 -15.061 9.273 9.932 1.00 0.00 C ATOM 1161 O ALA A 77 -15.927 9.358 9.062 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.368 11.020 9.190 1.00 0.00 C ATOM 0 H ALA A 77 -12.564 9.127 7.829 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.012 9.385 10.503 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.693 11.680 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.308 11.181 8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.941 11.238 8.289 1.00 0.00 H new ATOM 1168 N THR A 78 -15.293 8.937 11.192 1.00 0.00 N ATOM 1169 CA THR A 78 -16.638 8.633 11.650 1.00 0.00 C ATOM 1170 C THR A 78 -17.486 9.906 11.696 1.00 0.00 C ATOM 1171 O THR A 78 -16.949 11.013 11.721 1.00 0.00 O ATOM 1172 CB THR A 78 -16.530 7.926 13.002 1.00 0.00 C ATOM 1173 OG1 THR A 78 -15.736 8.808 13.792 1.00 0.00 O ATOM 1174 CG2 THR A 78 -15.699 6.643 12.927 1.00 0.00 C ATOM 0 H THR A 78 -14.572 8.869 11.910 1.00 0.00 H new ATOM 0 HA THR A 78 -17.149 7.964 10.958 1.00 0.00 H new ATOM 0 HB THR A 78 -17.529 7.691 13.370 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.617 8.428 14.687 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.654 6.181 13.913 1.00 0.00 H new ATOM 0 HG22 THR A 78 -16.161 5.951 12.223 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.690 6.882 12.592 1.00 0.00 H new ATOM 1182 N PRO A 79 -18.830 9.702 11.707 1.00 0.00 N ATOM 1183 CA PRO A 79 -19.757 10.820 11.750 1.00 0.00 C ATOM 1184 C PRO A 79 -19.805 11.439 13.148 1.00 0.00 C ATOM 1185 O PRO A 79 -20.816 11.339 13.841 1.00 0.00 O ATOM 1186 CB PRO A 79 -21.092 10.242 11.310 1.00 0.00 C ATOM 1187 CG PRO A 79 -20.972 8.737 11.485 1.00 0.00 C ATOM 1188 CD PRO A 79 -19.501 8.406 11.679 1.00 0.00 C ATOM 0 HA PRO A 79 -19.458 11.639 11.096 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -21.908 10.641 11.912 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -21.306 10.499 10.273 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -21.555 8.405 12.344 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -21.368 8.218 10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.338 7.856 12.606 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.125 7.783 10.868 1.00 0.00 H new ATOM 1196 N LYS A 80 -18.698 12.065 13.522 1.00 0.00 N ATOM 1197 CA LYS A 80 -18.601 12.700 14.825 1.00 0.00 C ATOM 1198 C LYS A 80 -17.242 13.391 14.951 1.00 0.00 C ATOM 1199 O LYS A 80 -17.143 14.473 15.528 1.00 0.00 O ATOM 1200 CB LYS A 80 -18.881 11.687 15.937 1.00 0.00 C ATOM 1201 CG LYS A 80 -18.764 12.340 17.316 1.00 0.00 C ATOM 1202 CD LYS A 80 -18.227 11.347 18.349 1.00 0.00 C ATOM 1203 CE LYS A 80 -16.702 11.426 18.445 1.00 0.00 C ATOM 1204 NZ LYS A 80 -16.260 11.229 19.843 1.00 0.00 N ATOM 0 H LYS A 80 -17.861 12.146 12.945 1.00 0.00 H new ATOM 0 HA LYS A 80 -19.363 13.472 14.930 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -19.881 11.271 15.811 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -18.178 10.857 15.863 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.102 13.204 17.258 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.740 12.707 17.632 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.668 11.557 19.324 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.526 10.335 18.075 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.252 10.668 17.805 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.359 12.395 18.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.223 11.286 19.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.675 11.968 20.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.571 10.295 20.177 1.00 0.00 H new ATOM 1218 N GLN A 81 -16.229 12.738 14.402 1.00 0.00 N ATOM 1219 CA GLN A 81 -14.880 13.277 14.445 1.00 0.00 C ATOM 1220 C GLN A 81 -14.792 14.555 13.610 1.00 0.00 C ATOM 1221 O GLN A 81 -14.531 15.633 14.143 1.00 0.00 O ATOM 1222 CB GLN A 81 -13.860 12.240 13.970 1.00 0.00 C ATOM 1223 CG GLN A 81 -13.506 11.265 15.095 1.00 0.00 C ATOM 1224 CD GLN A 81 -12.001 10.986 15.125 1.00 0.00 C ATOM 1225 OE1 GLN A 81 -11.259 11.345 14.226 1.00 0.00 O ATOM 1226 NE2 GLN A 81 -11.595 10.328 16.207 1.00 0.00 N ATOM 0 H GLN A 81 -16.315 11.841 13.925 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.642 13.525 15.479 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.264 11.690 13.120 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.958 12.744 13.623 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.822 11.679 16.053 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.050 10.331 14.956 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.270 10.057 16.922 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.609 10.094 16.322 1.00 0.00 H new ATOM 1235 N LYS A 82 -15.014 14.394 12.314 1.00 0.00 N ATOM 1236 CA LYS A 82 -14.962 15.522 11.399 1.00 0.00 C ATOM 1237 C LYS A 82 -15.980 15.309 10.277 1.00 0.00 C ATOM 1238 O LYS A 82 -15.605 15.037 9.137 1.00 0.00 O ATOM 1239 CB LYS A 82 -13.533 15.742 10.900 1.00 0.00 C ATOM 1240 CG LYS A 82 -12.780 16.720 11.805 1.00 0.00 C ATOM 1241 CD LYS A 82 -13.299 18.147 11.620 1.00 0.00 C ATOM 1242 CE LYS A 82 -12.751 18.767 10.333 1.00 0.00 C ATOM 1243 NZ LYS A 82 -13.435 20.047 10.042 1.00 0.00 N ATOM 0 H LYS A 82 -15.230 13.499 11.875 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.240 16.443 11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.004 14.789 10.869 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.555 16.128 9.881 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.895 16.419 12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.714 16.684 11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.389 18.140 11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.008 18.757 12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.679 18.935 10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.890 18.076 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.100 20.420 9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.462 19.889 9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.225 20.732 10.796 1.00 0.00 H new ATOM 1257 N PRO A 83 -17.282 15.445 10.647 1.00 0.00 N ATOM 1258 CA PRO A 83 -18.356 15.271 9.685 1.00 0.00 C ATOM 1259 C PRO A 83 -18.459 16.481 8.754 1.00 0.00 C ATOM 1260 O PRO A 83 -17.782 17.487 8.960 1.00 0.00 O ATOM 1261 CB PRO A 83 -19.605 15.060 10.524 1.00 0.00 C ATOM 1262 CG PRO A 83 -19.270 15.583 11.911 1.00 0.00 C ATOM 1263 CD PRO A 83 -17.763 15.767 11.988 1.00 0.00 C ATOM 0 HA PRO A 83 -18.191 14.424 9.019 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.455 15.595 10.100 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -19.878 14.005 10.560 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -19.780 16.528 12.096 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.609 14.883 12.675 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.502 16.788 12.268 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.321 15.109 12.736 1.00 0.00 H new ATOM 1271 N LYS A 84 -19.311 16.343 7.749 1.00 0.00 N ATOM 1272 CA LYS A 84 -19.512 17.412 6.785 1.00 0.00 C ATOM 1273 C LYS A 84 -18.384 17.378 5.751 1.00 0.00 C ATOM 1274 O LYS A 84 -18.046 18.405 5.163 1.00 0.00 O ATOM 1275 CB LYS A 84 -19.652 18.758 7.499 1.00 0.00 C ATOM 1276 CG LYS A 84 -20.552 18.634 8.730 1.00 0.00 C ATOM 1277 CD LYS A 84 -21.539 19.801 8.806 1.00 0.00 C ATOM 1278 CE LYS A 84 -22.760 19.431 9.652 1.00 0.00 C ATOM 1279 NZ LYS A 84 -22.386 19.318 11.079 1.00 0.00 N ATOM 0 H LYS A 84 -19.870 15.507 7.581 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.447 17.267 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.668 19.119 7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -20.067 19.496 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -21.099 17.692 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.940 18.611 9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -21.045 20.673 9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.858 20.078 7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -23.536 20.187 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -23.179 18.487 9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -23.225 19.067 11.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -21.662 18.580 11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -22.008 20.228 11.412 1.00 0.00 H new ATOM 1293 N THR A 85 -17.834 16.188 5.561 1.00 0.00 N ATOM 1294 CA THR A 85 -16.751 16.008 4.609 1.00 0.00 C ATOM 1295 C THR A 85 -17.026 14.799 3.712 1.00 0.00 C ATOM 1296 O THR A 85 -17.056 13.664 4.187 1.00 0.00 O ATOM 1297 CB THR A 85 -15.443 15.898 5.394 1.00 0.00 C ATOM 1298 OG1 THR A 85 -15.677 14.831 6.310 1.00 0.00 O ATOM 1299 CG2 THR A 85 -15.195 17.112 6.292 1.00 0.00 C ATOM 0 H THR A 85 -18.118 15.339 6.050 1.00 0.00 H new ATOM 0 HA THR A 85 -16.670 16.861 3.936 1.00 0.00 H new ATOM 0 HB THR A 85 -14.611 15.785 4.699 1.00 0.00 H new ATOM 0 HG1 THR A 85 -15.545 15.152 7.227 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.254 16.983 6.827 1.00 0.00 H new ATOM 0 HG22 THR A 85 -15.144 18.013 5.680 1.00 0.00 H new ATOM 0 HG23 THR A 85 -16.010 17.206 7.010 1.00 0.00 H new ATOM 1307 N PRO A 86 -17.223 15.090 2.399 1.00 0.00 N ATOM 1308 CA PRO A 86 -17.494 14.039 1.432 1.00 0.00 C ATOM 1309 C PRO A 86 -16.221 13.256 1.103 1.00 0.00 C ATOM 1310 O PRO A 86 -15.351 13.751 0.389 1.00 0.00 O ATOM 1311 CB PRO A 86 -18.079 14.756 0.226 1.00 0.00 C ATOM 1312 CG PRO A 86 -17.685 16.216 0.377 1.00 0.00 C ATOM 1313 CD PRO A 86 -17.194 16.422 1.801 1.00 0.00 C ATOM 0 HA PRO A 86 -18.190 13.289 1.809 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -17.688 14.340 -0.703 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -19.163 14.645 0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -16.904 16.476 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.536 16.864 0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.188 16.841 1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.836 17.115 2.345 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.154 12.046 1.639 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.003 11.190 1.411 1.00 0.00 C ATOM 1323 C PHE A 87 -13.780 11.700 2.177 1.00 0.00 C ATOM 1324 O PHE A 87 -12.853 12.246 1.580 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.705 11.231 -0.089 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.945 11.416 -0.965 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.928 10.477 -0.959 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.064 12.521 -1.749 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.079 10.649 -1.773 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.216 12.693 -2.562 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.199 11.754 -2.557 1.00 0.00 C ATOM 0 H PHE A 87 -16.878 11.639 2.230 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.218 10.178 1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.007 12.044 -0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.205 10.305 -0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.834 9.600 -0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.283 13.267 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.859 9.902 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.311 13.570 -3.185 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.075 11.885 -3.175 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.817 11.503 3.486 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.724 11.937 4.339 1.00 0.00 C ATOM 1343 C CYS A 88 -12.283 10.748 5.196 1.00 0.00 C ATOM 1344 O CYS A 88 -13.112 10.082 5.814 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.117 13.143 5.195 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.137 14.607 4.701 1.00 0.00 S ATOM 0 H CYS A 88 -14.587 11.049 3.977 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.889 12.270 3.723 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.181 13.351 5.078 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.949 12.921 6.249 1.00 0.00 H new ATOM 0 HG CYS A 88 -10.870 14.345 4.830 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.978 10.518 5.206 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.417 9.422 5.977 1.00 0.00 C ATOM 1354 C PHE A 89 -9.492 9.943 7.079 1.00 0.00 C ATOM 1355 O PHE A 89 -8.776 10.923 6.881 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.602 8.564 5.007 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.405 9.289 4.390 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.201 9.276 5.023 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.544 9.948 3.208 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -6.090 9.949 4.451 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.432 10.621 2.636 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.229 10.607 3.269 1.00 0.00 C ATOM 0 H PHE A 89 -10.293 11.072 4.692 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.217 8.853 6.451 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.246 7.678 5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.256 8.218 4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.090 8.753 5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.500 9.959 2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.134 9.939 4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.542 11.144 1.698 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.384 11.119 2.833 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.538 9.264 8.216 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.713 9.647 9.349 1.00 0.00 C ATOM 1374 C VAL A 90 -7.561 8.651 9.494 1.00 0.00 C ATOM 1375 O VAL A 90 -7.787 7.449 9.625 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.573 9.753 10.610 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.734 9.517 11.868 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.288 11.105 10.673 1.00 0.00 C ATOM 0 H VAL A 90 -10.133 8.452 8.377 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.274 10.632 9.187 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.333 8.973 10.564 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.370 9.598 12.750 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.292 8.521 11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.942 10.263 11.922 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.893 11.155 11.579 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.550 11.907 10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.932 11.217 9.800 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.350 9.188 9.467 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.161 8.362 9.594 1.00 0.00 C ATOM 1390 C ILE A 91 -4.803 8.216 11.074 1.00 0.00 C ATOM 1391 O ILE A 91 -4.274 9.145 11.683 1.00 0.00 O ATOM 1392 CB ILE A 91 -4.024 8.924 8.738 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.208 8.548 7.267 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.662 8.481 9.277 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.070 9.108 6.411 1.00 0.00 C ATOM 0 H ILE A 91 -6.166 10.186 9.359 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.351 7.359 9.211 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.056 10.012 8.798 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.243 7.463 7.167 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.162 8.932 6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.871 8.894 8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.541 8.840 10.299 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.603 7.393 9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.225 8.826 5.370 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.053 10.195 6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.120 8.703 6.759 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.105 7.042 11.610 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.821 6.762 13.007 1.00 0.00 C ATOM 1409 C ASN A 92 -3.360 6.330 13.150 1.00 0.00 C ATOM 1410 O ASN A 92 -2.934 5.356 12.531 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.703 5.628 13.532 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.526 6.086 14.738 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -6.021 6.677 15.679 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.818 5.782 14.658 1.00 0.00 N ATOM 0 H ASN A 92 -5.543 6.274 11.102 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.020 7.668 13.579 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.370 5.286 12.741 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.080 4.779 13.814 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.452 6.045 15.413 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.176 5.286 13.842 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.633 7.075 13.969 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.229 6.781 14.201 1.00 0.00 C ATOM 1423 C ALA A 93 -1.002 6.545 15.696 1.00 0.00 C ATOM 1424 O ALA A 93 -1.846 5.958 16.370 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.371 7.924 13.655 1.00 0.00 C ATOM 0 H ALA A 93 -2.990 7.882 14.481 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.935 5.873 13.675 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.682 7.704 13.829 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.547 8.032 12.585 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.636 8.852 14.162 1.00 0.00 H new ATOM 1431 N LEU A 94 0.143 7.014 16.169 1.00 0.00 N ATOM 1432 CA LEU A 94 0.492 6.861 17.571 1.00 0.00 C ATOM 1433 C LEU A 94 -0.761 7.055 18.428 1.00 0.00 C ATOM 1434 O LEU A 94 -1.276 6.098 19.005 1.00 0.00 O ATOM 1435 CB LEU A 94 1.642 7.799 17.943 1.00 0.00 C ATOM 1436 CG LEU A 94 2.840 7.802 16.990 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.100 8.307 17.696 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.047 6.420 16.366 1.00 0.00 C ATOM 0 H LEU A 94 0.841 7.500 15.606 1.00 0.00 H new ATOM 0 HA LEU A 94 0.859 5.853 17.764 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.251 8.814 18.006 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.996 7.531 18.939 1.00 0.00 H new ATOM 0 HG LEU A 94 2.628 8.495 16.175 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.936 8.299 16.997 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.935 9.324 18.053 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.328 7.658 18.542 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.904 6.449 15.693 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.229 5.689 17.154 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.156 6.136 15.806 1.00 0.00 H new ATOM 1450 N SER A 95 -1.214 8.298 18.484 1.00 0.00 N ATOM 1451 CA SER A 95 -2.397 8.629 19.261 1.00 0.00 C ATOM 1452 C SER A 95 -3.035 9.911 18.722 1.00 0.00 C ATOM 1453 O SER A 95 -3.702 10.635 19.460 1.00 0.00 O ATOM 1454 CB SER A 95 -2.055 8.790 20.743 1.00 0.00 C ATOM 1455 OG SER A 95 -3.206 8.666 21.573 1.00 0.00 O ATOM 0 H SER A 95 -0.784 9.089 18.004 1.00 0.00 H new ATOM 0 HA SER A 95 -3.109 7.809 19.167 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.319 8.038 21.029 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.595 9.765 20.905 1.00 0.00 H new ATOM 0 HG SER A 95 -3.902 9.281 21.261 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.808 10.153 17.439 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.352 11.335 16.792 1.00 0.00 C ATOM 1463 C GLN A 96 -4.309 10.932 15.668 1.00 0.00 C ATOM 1464 O GLN A 96 -4.455 9.749 15.367 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.234 12.236 16.264 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.305 13.627 16.897 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.185 14.526 16.371 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -1.412 15.611 15.861 1.00 0.00 O ATOM 1469 NE2 GLN A 96 0.035 14.017 16.524 1.00 0.00 N ATOM 0 H GLN A 96 -2.255 9.550 16.830 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.912 11.905 17.533 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.266 11.784 16.479 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.312 12.321 15.180 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.272 14.080 16.680 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.229 13.542 17.981 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.155 13.102 16.959 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.850 14.541 16.206 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.935 11.940 15.078 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.874 11.705 13.994 1.00 0.00 C ATOM 1480 C ARG A 97 -5.748 12.804 12.936 1.00 0.00 C ATOM 1481 O ARG A 97 -6.147 13.943 13.169 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.314 11.666 14.510 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.699 12.997 15.159 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.864 12.814 16.134 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.526 13.415 17.444 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.404 13.582 18.443 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -10.677 13.194 18.287 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -9.009 14.136 19.597 1.00 0.00 N ATOM 0 H ARG A 97 -4.810 12.921 15.330 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.633 10.739 13.551 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.994 11.449 13.686 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.423 10.859 15.234 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.840 13.410 15.687 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.975 13.716 14.387 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.763 13.281 15.731 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.083 11.753 16.257 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.565 13.721 17.596 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.977 12.772 17.408 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.346 13.321 19.047 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.040 14.431 19.716 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.677 14.263 20.357 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.191 12.422 11.796 1.00 0.00 N ATOM 1503 CA TYR A 98 -5.007 13.360 10.702 1.00 0.00 C ATOM 1504 C TYR A 98 -6.225 13.367 9.776 1.00 0.00 C ATOM 1505 O TYR A 98 -6.537 12.357 9.147 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.789 12.863 9.921 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.492 12.852 10.731 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.156 11.742 11.480 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.658 13.951 10.714 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.935 11.731 12.243 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.436 13.940 11.477 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.135 12.831 12.204 1.00 0.00 C ATOM 1513 OH TYR A 98 1.018 12.821 12.924 1.00 0.00 O ATOM 0 H TYR A 98 -4.861 11.476 11.606 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.874 14.373 11.082 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.989 11.854 9.561 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.651 13.494 9.043 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.809 10.882 11.494 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.921 14.820 10.129 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.660 10.869 12.833 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.226 14.793 11.472 1.00 0.00 H new ATOM 0 HH TYR A 98 1.488 13.672 12.800 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.880 14.518 9.721 1.00 0.00 N ATOM 1524 CA PHE A 99 -8.056 14.669 8.882 1.00 0.00 C ATOM 1525 C PHE A 99 -7.674 15.161 7.485 1.00 0.00 C ATOM 1526 O PHE A 99 -7.344 16.332 7.304 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.951 15.715 9.551 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.582 15.247 10.863 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.227 14.051 10.919 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.497 16.026 11.975 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.812 13.616 12.138 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.083 15.592 13.193 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.728 14.396 13.249 1.00 0.00 C ATOM 0 H PHE A 99 -6.618 15.354 10.244 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.561 13.709 8.774 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.363 16.612 9.743 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.744 15.996 8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.294 13.432 10.037 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.983 16.975 11.931 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.324 12.666 12.183 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.017 16.212 14.075 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.174 14.066 14.176 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.731 14.242 6.532 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.394 14.568 5.157 1.00 0.00 C ATOM 1545 C LEU A 100 -8.645 14.435 4.285 1.00 0.00 C ATOM 1546 O LEU A 100 -9.522 13.622 4.571 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.217 13.715 4.677 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.016 13.638 5.622 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.174 12.484 6.615 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.706 13.543 4.837 1.00 0.00 C ATOM 0 H LEU A 100 -8.006 13.272 6.685 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.060 15.603 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.578 12.702 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.876 14.108 3.719 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.977 14.560 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.307 12.451 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.076 12.635 7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.251 11.543 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.868 13.490 5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.719 12.648 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.596 14.424 4.204 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.686 15.247 3.239 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.815 15.231 2.324 1.00 0.00 C ATOM 1564 C GLN A 101 -9.353 14.841 0.918 1.00 0.00 C ATOM 1565 O GLN A 101 -8.264 15.221 0.491 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.529 16.584 2.310 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.953 16.447 1.768 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.465 17.783 1.227 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -12.227 18.154 0.090 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.180 18.483 2.104 1.00 0.00 N ATOM 0 H GLN A 101 -7.956 15.920 3.005 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.529 14.484 2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.558 16.994 3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.968 17.289 1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.974 15.698 0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.614 16.093 2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.342 18.113 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.566 19.389 1.839 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.204 14.087 0.238 1.00 0.00 N ATOM 1580 CA ALA A 102 -9.897 13.641 -1.110 1.00 0.00 C ATOM 1581 C ALA A 102 -10.731 14.444 -2.110 1.00 0.00 C ATOM 1582 O ALA A 102 -11.406 15.402 -1.734 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.147 12.136 -1.219 1.00 0.00 C ATOM 0 H ALA A 102 -11.106 13.774 0.596 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.846 13.815 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.917 11.801 -2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.510 11.609 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.193 11.924 -0.996 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.657 14.025 -3.365 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.397 14.693 -4.422 1.00 0.00 C ATOM 1591 C ASN A 103 -12.784 14.061 -4.547 1.00 0.00 C ATOM 1592 O ASN A 103 -13.796 14.729 -4.342 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.687 14.545 -5.769 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.823 15.771 -6.072 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.136 16.589 -6.922 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.721 15.853 -5.331 1.00 0.00 N ATOM 0 H ASN A 103 -10.096 13.231 -3.673 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.469 15.750 -4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.064 13.650 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.425 14.411 -6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.079 16.635 -5.457 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.519 15.134 -4.637 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.787 12.779 -4.883 1.00 0.00 N ATOM 1604 CA ASP A 104 -14.033 12.049 -5.037 1.00 0.00 C ATOM 1605 C ASP A 104 -14.117 10.959 -3.966 1.00 0.00 C ATOM 1606 O ASP A 104 -13.509 11.080 -2.904 1.00 0.00 O ATOM 1607 CB ASP A 104 -14.109 11.371 -6.407 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.588 12.213 -7.574 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -12.386 12.554 -7.536 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -14.404 12.495 -8.478 1.00 0.00 O ATOM 0 H ASP A 104 -11.946 12.228 -5.053 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.854 12.760 -4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.542 10.441 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.147 11.103 -6.606 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.876 9.920 -4.283 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.047 8.810 -3.360 1.00 0.00 C ATOM 1617 C GLN A 105 -13.982 7.741 -3.612 1.00 0.00 C ATOM 1618 O GLN A 105 -13.647 6.969 -2.715 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.454 8.219 -3.470 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.502 6.807 -2.882 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.890 6.187 -3.058 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.599 6.450 -4.016 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.236 5.350 -2.084 1.00 0.00 N ATOM 0 H GLN A 105 -15.379 9.823 -5.165 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.924 9.185 -2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.164 8.859 -2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.761 8.192 -4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.755 6.180 -3.370 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.247 6.841 -1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.595 5.174 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.143 4.884 -2.110 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.478 7.731 -4.838 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.458 6.769 -5.219 1.00 0.00 C ATOM 1634 C LYS A 106 -11.157 7.094 -4.482 1.00 0.00 C ATOM 1635 O LYS A 106 -10.729 6.340 -3.610 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.307 6.723 -6.741 1.00 0.00 C ATOM 1637 CG LYS A 106 -13.500 6.017 -7.389 1.00 0.00 C ATOM 1638 CD LYS A 106 -13.161 5.559 -8.809 1.00 0.00 C ATOM 1639 CE LYS A 106 -14.207 4.572 -9.331 1.00 0.00 C ATOM 1640 NZ LYS A 106 -13.587 3.256 -9.603 1.00 0.00 N ATOM 0 H LYS A 106 -13.757 8.373 -5.579 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.752 5.763 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.223 7.737 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.386 6.203 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.790 5.157 -6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.356 6.691 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.109 6.423 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.177 5.090 -8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.007 4.460 -8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.661 4.962 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.310 2.598 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.840 3.365 -10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.175 2.879 -8.726 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.564 8.217 -4.860 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.320 8.650 -4.246 1.00 0.00 C ATOM 1656 C ASP A 107 -9.395 8.418 -2.736 1.00 0.00 C ATOM 1657 O ASP A 107 -8.475 7.854 -2.145 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.079 10.142 -4.484 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.620 10.529 -4.732 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.876 9.654 -5.224 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.282 11.693 -4.425 1.00 0.00 O ATOM 0 H ASP A 107 -10.922 8.840 -5.584 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.506 8.078 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.674 10.459 -5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.444 10.696 -3.620 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.498 8.865 -2.154 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.704 8.714 -0.724 1.00 0.00 C ATOM 1668 C LEU A 108 -10.457 7.256 -0.329 1.00 0.00 C ATOM 1669 O LEU A 108 -9.516 6.959 0.405 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.087 9.233 -0.324 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.610 8.769 1.037 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.251 7.383 0.933 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.504 8.811 2.093 1.00 0.00 C ATOM 0 H LEU A 108 -11.259 9.332 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.988 9.321 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.059 10.323 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.802 8.929 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.388 9.461 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.615 7.076 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.085 7.419 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.511 6.665 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.903 8.476 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.687 8.155 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.133 9.831 2.191 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.319 6.386 -0.834 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.206 4.966 -0.543 1.00 0.00 C ATOM 1687 C LYS A 109 -9.803 4.483 -0.918 1.00 0.00 C ATOM 1688 O LYS A 109 -9.100 3.906 -0.091 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.329 4.188 -1.231 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.299 3.602 -0.203 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.328 2.074 -0.285 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.760 1.546 -0.181 1.00 0.00 C ATOM 1693 NZ LYS A 109 -15.319 1.296 -1.528 1.00 0.00 N ATOM 0 H LYS A 109 -12.098 6.636 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.331 4.784 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.869 4.847 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.904 3.386 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.002 3.910 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.300 3.998 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.884 1.748 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.722 1.652 0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.773 0.625 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.382 2.267 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.291 0.938 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.325 2.183 -2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.734 0.591 -2.021 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.438 4.738 -2.166 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.132 4.337 -2.661 1.00 0.00 C ATOM 1709 C ASP A 110 -7.065 4.707 -1.629 1.00 0.00 C ATOM 1710 O ASP A 110 -6.377 3.834 -1.102 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.794 5.054 -3.969 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.266 4.151 -5.085 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -6.638 3.127 -4.737 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -7.502 4.503 -6.260 1.00 0.00 O ATOM 0 H ASP A 110 -10.024 5.218 -2.849 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.153 3.261 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.688 5.564 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.050 5.823 -3.762 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.961 6.002 -1.371 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.989 6.499 -0.412 1.00 0.00 C ATOM 1721 C TRP A 111 -6.058 5.611 0.833 1.00 0.00 C ATOM 1722 O TRP A 111 -5.070 4.978 1.203 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.228 7.978 -0.105 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.411 8.934 -0.977 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.854 9.756 -1.939 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.983 9.136 -0.927 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.820 10.469 -2.510 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.646 10.080 -1.875 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.008 8.540 -0.107 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.332 10.512 -2.094 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.700 8.983 -0.338 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.344 9.933 -1.289 1.00 0.00 C ATOM 0 H TRP A 111 -7.534 6.723 -1.810 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.981 6.447 -0.822 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.287 8.199 -0.235 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -5.990 8.164 0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.890 9.848 -2.230 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.902 11.155 -3.260 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.249 7.800 0.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.094 11.252 -2.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.912 8.557 0.265 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.310 10.223 -1.406 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.233 5.594 1.444 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.443 4.795 2.639 1.00 0.00 C ATOM 1745 C VAL A 112 -6.854 3.400 2.425 1.00 0.00 C ATOM 1746 O VAL A 112 -6.058 2.927 3.235 1.00 0.00 O ATOM 1747 CB VAL A 112 -8.931 4.767 2.995 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.187 3.880 4.215 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.467 6.182 3.223 1.00 0.00 C ATOM 0 H VAL A 112 -8.050 6.121 1.134 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.927 5.239 3.490 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.469 4.337 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.252 3.878 4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.860 2.863 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.631 4.267 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.526 6.134 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.921 6.650 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.336 6.771 2.315 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.266 2.779 1.329 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.789 1.448 0.998 1.00 0.00 C ATOM 1761 C GLU A 113 -5.259 1.418 0.994 1.00 0.00 C ATOM 1762 O GLU A 113 -4.651 0.537 1.601 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.349 0.983 -0.348 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.870 1.147 -0.395 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.547 -0.149 -0.844 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.283 -0.558 -1.996 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.314 -0.701 -0.026 1.00 0.00 O ATOM 0 H GLU A 113 -7.926 3.174 0.659 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.145 0.756 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.893 1.558 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.087 -0.062 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.239 1.432 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.131 1.954 -1.079 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.682 2.391 0.305 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.235 2.487 0.215 1.00 0.00 C ATOM 1776 C ALA A 114 -2.654 2.696 1.615 1.00 0.00 C ATOM 1777 O ALA A 114 -1.698 2.025 2.000 1.00 0.00 O ATOM 1778 CB ALA A 114 -2.857 3.614 -0.748 1.00 0.00 C ATOM 0 H ALA A 114 -5.190 3.120 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.813 1.564 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.771 3.686 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.269 3.403 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.261 4.557 -0.381 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.255 3.630 2.337 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.810 3.936 3.685 1.00 0.00 C ATOM 1786 C LEU A 115 -3.118 2.750 4.601 1.00 0.00 C ATOM 1787 O LEU A 115 -2.618 2.682 5.723 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.417 5.257 4.163 1.00 0.00 C ATOM 1789 CG LEU A 115 -3.245 6.453 3.225 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.201 7.587 3.601 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.788 6.918 3.190 1.00 0.00 C ATOM 0 H LEU A 115 -4.047 4.185 2.013 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.730 4.083 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.483 5.104 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.974 5.510 5.126 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.505 6.135 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.058 8.425 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.230 7.234 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.997 7.911 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.694 7.769 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.476 7.213 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.155 6.104 2.837 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.939 1.846 4.089 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.320 0.666 4.847 1.00 0.00 C ATOM 1805 C ASN A 116 -3.324 -0.461 4.563 1.00 0.00 C ATOM 1806 O ASN A 116 -3.156 -1.365 5.379 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.713 0.178 4.444 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.697 0.308 5.609 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -7.040 -0.654 6.276 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.131 1.548 5.814 1.00 0.00 N ATOM 0 H ASN A 116 -4.351 1.906 3.158 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.323 0.931 5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.073 0.756 3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.659 -0.862 4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.792 1.739 6.567 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -6.803 2.308 5.218 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.691 -0.369 3.403 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.717 -1.369 3.001 1.00 0.00 C ATOM 1819 C GLN A 117 -0.316 -0.962 3.464 1.00 0.00 C ATOM 1820 O GLN A 117 0.328 -1.690 4.217 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.751 -1.592 1.488 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.039 -2.303 1.067 1.00 0.00 C ATOM 1823 CD GLN A 117 -2.984 -2.710 -0.407 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -3.106 -1.896 -1.307 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -2.795 -4.012 -0.602 1.00 0.00 N ATOM 0 H GLN A 117 -2.834 0.383 2.729 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.977 -2.313 3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.676 -0.634 0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -0.888 -2.185 1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.190 -3.187 1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.893 -1.646 1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.701 -4.639 0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.744 -4.384 -1.551 1.00 0.00 H new ATOM 1834 N ALA A 118 0.113 0.199 2.993 1.00 0.00 N ATOM 1835 CA ALA A 118 1.425 0.712 3.349 1.00 0.00 C ATOM 1836 C ALA A 118 1.604 0.634 4.866 1.00 0.00 C ATOM 1837 O ALA A 118 2.722 0.477 5.356 1.00 0.00 O ATOM 1838 CB ALA A 118 1.578 2.138 2.816 1.00 0.00 C ATOM 0 H ALA A 118 -0.425 0.799 2.368 1.00 0.00 H new ATOM 0 HA ALA A 118 2.210 0.108 2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.562 2.523 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.472 2.134 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.809 2.774 3.253 1.00 0.00 H new ATOM 1844 N SER A 119 0.486 0.747 5.568 1.00 0.00 N ATOM 1845 CA SER A 119 0.505 0.692 7.020 1.00 0.00 C ATOM 1846 C SER A 119 0.749 -0.745 7.486 1.00 0.00 C ATOM 1847 O SER A 119 1.583 -0.987 8.356 1.00 0.00 O ATOM 1848 CB SER A 119 -0.801 1.226 7.609 1.00 0.00 C ATOM 1849 OG SER A 119 -1.941 0.562 7.071 1.00 0.00 O ATOM 0 H SER A 119 -0.439 0.876 5.158 1.00 0.00 H new ATOM 0 HA SER A 119 1.318 1.326 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.787 1.103 8.692 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.877 2.295 7.411 1.00 0.00 H new ATOM 0 HG SER A 119 -2.426 1.173 6.478 1.00 0.00 H new ATOM 1855 N LYS A 120 0.004 -1.662 6.885 1.00 0.00 N ATOM 1856 CA LYS A 120 0.128 -3.069 7.227 1.00 0.00 C ATOM 1857 C LYS A 120 1.469 -3.598 6.713 1.00 0.00 C ATOM 1858 O LYS A 120 1.847 -4.730 7.008 1.00 0.00 O ATOM 1859 CB LYS A 120 -1.080 -3.854 6.713 1.00 0.00 C ATOM 1860 CG LYS A 120 -2.354 -3.449 7.458 1.00 0.00 C ATOM 1861 CD LYS A 120 -2.430 -4.130 8.826 1.00 0.00 C ATOM 1862 CE LYS A 120 -3.191 -3.261 9.829 1.00 0.00 C ATOM 1863 NZ LYS A 120 -2.281 -2.779 10.892 1.00 0.00 N ATOM 0 H LYS A 120 -0.687 -1.458 6.163 1.00 0.00 H new ATOM 0 HA LYS A 120 0.127 -3.199 8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.207 -3.676 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.905 -4.922 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -2.377 -2.367 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -3.228 -3.719 6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -2.924 -5.097 8.728 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -1.423 -4.323 9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -3.642 -2.412 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -4.005 -3.834 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -2.813 -2.191 11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -1.871 -3.593 11.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -1.518 -2.214 10.466 1.00 0.00 H new ATOM 1877 N SER A 121 2.151 -2.752 5.954 1.00 0.00 N ATOM 1878 CA SER A 121 3.441 -3.121 5.397 1.00 0.00 C ATOM 1879 C SER A 121 3.257 -4.172 4.300 1.00 0.00 C ATOM 1880 O SER A 121 3.634 -3.948 3.151 1.00 0.00 O ATOM 1881 CB SER A 121 4.381 -3.646 6.483 1.00 0.00 C ATOM 1882 OG SER A 121 5.674 -3.055 6.402 1.00 0.00 O ATOM 0 H SER A 121 1.834 -1.813 5.712 1.00 0.00 H new ATOM 0 HA SER A 121 3.893 -2.229 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.951 -3.443 7.464 1.00 0.00 H new ATOM 0 HB3 SER A 121 4.471 -4.728 6.392 1.00 0.00 H new ATOM 0 HG SER A 121 6.244 -3.415 7.113 1.00 0.00 H new ATOM 1888 N GLY A 122 2.676 -5.296 4.694 1.00 0.00 N ATOM 1889 CA GLY A 122 2.438 -6.382 3.760 1.00 0.00 C ATOM 1890 C GLY A 122 3.756 -6.956 3.237 1.00 0.00 C ATOM 1891 O GLY A 122 4.770 -6.260 3.202 1.00 0.00 O ATOM 0 H GLY A 122 2.363 -5.477 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 122 1.864 -7.168 4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 122 1.837 -6.022 2.925 1.00 0.00 H new ATOM 1895 N PRO A 123 3.699 -8.254 2.834 1.00 0.00 N ATOM 1896 CA PRO A 123 4.876 -8.929 2.315 1.00 0.00 C ATOM 1897 C PRO A 123 5.192 -8.465 0.892 1.00 0.00 C ATOM 1898 O PRO A 123 4.497 -7.609 0.346 1.00 0.00 O ATOM 1899 CB PRO A 123 4.548 -10.411 2.398 1.00 0.00 C ATOM 1900 CG PRO A 123 3.035 -10.497 2.521 1.00 0.00 C ATOM 1901 CD PRO A 123 2.516 -9.109 2.862 1.00 0.00 C ATOM 0 HA PRO A 123 5.777 -8.701 2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.898 -10.939 1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.036 -10.872 3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.596 -10.850 1.588 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.755 -11.211 3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.770 -8.777 2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.040 -9.094 3.842 1.00 0.00 H new ATOM 1909 N SER A 124 6.240 -9.050 0.332 1.00 0.00 N ATOM 1910 CA SER A 124 6.656 -8.707 -1.018 1.00 0.00 C ATOM 1911 C SER A 124 6.876 -9.981 -1.837 1.00 0.00 C ATOM 1912 O SER A 124 7.050 -11.061 -1.276 1.00 0.00 O ATOM 1913 CB SER A 124 7.929 -7.859 -1.003 1.00 0.00 C ATOM 1914 OG SER A 124 7.643 -6.464 -1.051 1.00 0.00 O ATOM 0 H SER A 124 6.814 -9.759 0.788 1.00 0.00 H new ATOM 0 HA SER A 124 5.865 -8.117 -1.481 1.00 0.00 H new ATOM 0 HB2 SER A 124 8.501 -8.081 -0.102 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.555 -8.130 -1.853 1.00 0.00 H new ATOM 0 HG SER A 124 8.482 -5.957 -1.038 1.00 0.00 H new ATOM 1920 N SER A 125 6.860 -9.811 -3.151 1.00 0.00 N ATOM 1921 CA SER A 125 7.056 -10.933 -4.053 1.00 0.00 C ATOM 1922 C SER A 125 8.267 -11.756 -3.609 1.00 0.00 C ATOM 1923 O SER A 125 9.408 -11.328 -3.776 1.00 0.00 O ATOM 1924 CB SER A 125 7.238 -10.455 -5.495 1.00 0.00 C ATOM 1925 OG SER A 125 8.540 -9.921 -5.719 1.00 0.00 O ATOM 0 H SER A 125 6.714 -8.913 -3.612 1.00 0.00 H new ATOM 0 HA SER A 125 6.166 -11.561 -4.017 1.00 0.00 H new ATOM 0 HB2 SER A 125 7.065 -11.287 -6.178 1.00 0.00 H new ATOM 0 HB3 SER A 125 6.490 -9.695 -5.722 1.00 0.00 H new ATOM 0 HG SER A 125 9.112 -10.119 -4.948 1.00 0.00 H new ATOM 1931 N GLY A 126 7.977 -12.923 -3.052 1.00 0.00 N ATOM 1932 CA GLY A 126 9.028 -13.810 -2.584 1.00 0.00 C ATOM 1933 C GLY A 126 8.516 -15.246 -2.453 1.00 0.00 C ATOM 1934 O GLY A 126 9.129 -16.177 -2.974 1.00 0.00 O ATOM 0 H GLY A 126 7.029 -13.274 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.868 -13.782 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.399 -13.463 -1.620 1.00 0.00 H new TER 1938 GLY A 126