USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1022 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 8 THR OG1 : rot -75:sc= 1.31 USER MOD Set 1.2: A 124 MET CE :methyl -119:sc= 0 (180deg=-0.715) USER MOD Set 2.1: A 112 GLN : amide:sc= -2.48 K(o=-3.3,f=-0.094) USER MOD Set 2.2: A 113 THR OG1 : rot 180:sc= 0.0225 USER MOD Set 2.3: A 116 ASN : amide:sc= -0.81 K(o=-3.3,f=-0.094) USER MOD Set 3.1: A 109 ASN : amide:sc= 0.869 K(o=2.4,f=-9.9!) USER MOD Set 3.2: A 110 LYS NZ :NH3+ -155:sc= 1.5 (180deg=-1.01) USER MOD Set 4.1: A 96 ASN : amide:sc= -0.907 K(o=-0.53,f=-1.2!) USER MOD Set 4.2: A 98 ASN : amide:sc= 0.379 K(o=-0.53,f=-1.2) USER MOD Set 5.1: A 40 SER OG : rot 180:sc= 0.132 USER MOD Set 5.2: A 59 LYS NZ :NH3+ -129:sc= -0.499 (180deg=-1.64!) USER MOD Set 6.1: A 56 LYS NZ :NH3+ 138:sc= 0.782 (180deg=1) USER MOD Set 6.2: A 61 GLN : amide:sc= -1.04 K(o=-0.26,f=-7.2!) USER MOD Set 7.1: A 2 LYS NZ :NH3+ -159:sc= 1.87 (180deg=1.02) USER MOD Set 7.2: A 6 TYR OH : rot 180:sc= 0.94 USER MOD Single : A 1 CYS N :NH3+ -111:sc= 0.239 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= -0.0761 USER MOD Single : A 3 THR OG1 : rot 127:sc= 0.327 USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= -0.203 (180deg=-2.9!) USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= 0.968 (180deg=0.552) USER MOD Single : A 12 THR OG1 : rot 172:sc= 1.2 USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= 0.821 (180deg=-0.322!) USER MOD Single : A 17 SER OG : rot -12:sc= 0.871 USER MOD Single : A 23 GLN : amide:sc= 0.916 K(o=0.92,f=-7.5!) USER MOD Single : A 25 HIS : no HD1:sc= -3.24! C(o=-3.1!,f=-4.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -68:sc= 0.188 USER MOD Single : A 29 GLN : amide:sc= 0.863 K(o=0.86,f=-6.6!) USER MOD Single : A 31 MET CE :methyl 166:sc= -0.0711 (180deg=-0.349) USER MOD Single : A 33 ASN : amide:sc= 0.0101 X(o=0.01,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -2.11! (180deg=-2.62!) USER MOD Single : A 36 HIS : no HE2:sc= -0.398 K(o=-0.4,f=-2.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -146:sc= -0.961 (180deg=-1.59) USER MOD Single : A 46 ASN : amide:sc= -0.0812 X(o=-0.081,f=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -143:sc= 0.161 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0604 USER MOD Single : A 67 LYS NZ :NH3+ 140:sc= -0.675! (180deg=-6.66!) USER MOD Single : A 69 SER OG : rot -72:sc= -0.0637 USER MOD Single : A 71 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.928! X(o=-0.93!,f=-1) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= 0.853 (180deg=-0.499) USER MOD Single : A 82 LYS NZ :NH3+ -141:sc= 1.17 (180deg=-0.885) USER MOD Single : A 87 LYS NZ :NH3+ 156:sc= -0.485! (180deg=-0.873!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.918 K(o=-0.92,f=-0.1) USER MOD Single : A 104 TYR OH : rot 165:sc= 0.0819 USER MOD Single : A 106 MET CE :methyl 177:sc= 0 (180deg=-0.0153) USER MOD Single : A 118 ASN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -109:sc= -2.22! (180deg=-3.05!) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.0543 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -19.976 -25.764 -10.465 1.00 0.00 N ATOM 2 CA CYS A 1 -19.864 -25.606 -11.914 1.00 0.00 C ATOM 3 C CYS A 1 -18.831 -24.536 -12.145 1.00 0.00 C ATOM 4 O CYS A 1 -18.610 -23.745 -11.233 1.00 0.00 O ATOM 5 CB CYS A 1 -21.224 -25.203 -12.512 1.00 0.00 C ATOM 6 SG CYS A 1 -21.259 -25.130 -14.318 1.00 0.00 S ATOM 0 H1 CYS A 1 -19.590 -26.688 -10.186 1.00 0.00 H new ATOM 0 H2 CYS A 1 -19.442 -25.008 -9.991 1.00 0.00 H new ATOM 0 H3 CYS A 1 -20.976 -25.708 -10.186 1.00 0.00 H new ATOM 0 HA CYS A 1 -19.569 -26.537 -12.398 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -21.979 -25.913 -12.175 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -21.505 -24.227 -12.116 1.00 0.00 H new ATOM 0 HG CYS A 1 -22.448 -24.785 -14.715 1.00 0.00 H new ATOM 14 N LYS A 2 -18.205 -24.537 -13.344 1.00 0.00 N ATOM 15 CA LYS A 2 -17.095 -23.629 -13.751 1.00 0.00 C ATOM 16 C LYS A 2 -15.933 -23.701 -12.740 1.00 0.00 C ATOM 17 O LYS A 2 -15.896 -24.599 -11.885 1.00 0.00 O ATOM 18 CB LYS A 2 -17.555 -22.137 -13.975 1.00 0.00 C ATOM 19 CG LYS A 2 -17.743 -21.295 -12.707 1.00 0.00 C ATOM 20 CD LYS A 2 -18.094 -19.849 -13.014 1.00 0.00 C ATOM 21 CE LYS A 2 -18.052 -18.994 -11.749 1.00 0.00 C ATOM 22 NZ LYS A 2 -16.666 -18.854 -11.206 1.00 0.00 N ATOM 0 H LYS A 2 -18.463 -25.190 -14.084 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.747 -23.986 -14.720 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.820 -21.642 -14.610 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -18.496 -22.146 -14.524 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -18.532 -21.735 -12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.828 -21.325 -12.116 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -17.396 -19.450 -13.750 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -19.088 -19.799 -13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -18.456 -18.006 -11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.694 -19.440 -10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.712 -18.591 -10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.162 -19.758 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.159 -18.116 -11.734 1.00 0.00 H new ATOM 36 N THR A 3 -14.985 -22.811 -12.867 1.00 0.00 N ATOM 37 CA THR A 3 -13.929 -22.711 -11.923 1.00 0.00 C ATOM 38 C THR A 3 -14.474 -22.125 -10.614 1.00 0.00 C ATOM 39 O THR A 3 -15.247 -21.135 -10.624 1.00 0.00 O ATOM 40 CB THR A 3 -12.804 -21.833 -12.492 1.00 0.00 C ATOM 41 OG1 THR A 3 -13.379 -20.666 -13.108 1.00 0.00 O ATOM 42 CG2 THR A 3 -11.982 -22.599 -13.518 1.00 0.00 C ATOM 0 H THR A 3 -14.932 -22.139 -13.632 1.00 0.00 H new ATOM 0 HA THR A 3 -13.518 -23.700 -11.719 1.00 0.00 H new ATOM 0 HB THR A 3 -12.144 -21.538 -11.676 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.964 -19.861 -12.734 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.192 -21.955 -13.906 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.537 -23.475 -13.047 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.627 -22.916 -14.338 1.00 0.00 H new ATOM 50 N LYS A 4 -14.125 -22.751 -9.506 1.00 0.00 N ATOM 51 CA LYS A 4 -14.571 -22.310 -8.186 1.00 0.00 C ATOM 52 C LYS A 4 -13.771 -21.065 -7.817 1.00 0.00 C ATOM 53 O LYS A 4 -14.157 -20.282 -6.953 1.00 0.00 O ATOM 54 CB LYS A 4 -14.297 -23.449 -7.155 1.00 0.00 C ATOM 55 CG LYS A 4 -15.234 -23.518 -5.933 1.00 0.00 C ATOM 56 CD LYS A 4 -15.096 -22.369 -4.913 1.00 0.00 C ATOM 57 CE LYS A 4 -13.725 -22.319 -4.207 1.00 0.00 C ATOM 58 NZ LYS A 4 -12.677 -21.618 -4.986 1.00 0.00 N ATOM 0 H LYS A 4 -13.527 -23.577 -9.489 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.637 -22.082 -8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.351 -24.403 -7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.274 -23.342 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.264 -23.540 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.056 -24.461 -5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.265 -21.421 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.878 -22.469 -4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.841 -21.823 -3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.394 -23.337 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.978 -21.206 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.204 -22.294 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.112 -20.861 -5.551 1.00 0.00 H new ATOM 72 N ASP A 5 -12.652 -20.930 -8.464 1.00 0.00 N ATOM 73 CA ASP A 5 -11.707 -19.875 -8.236 1.00 0.00 C ATOM 74 C ASP A 5 -10.956 -19.595 -9.501 1.00 0.00 C ATOM 75 O ASP A 5 -10.812 -20.487 -10.361 1.00 0.00 O ATOM 76 CB ASP A 5 -10.720 -20.248 -7.096 1.00 0.00 C ATOM 77 CG ASP A 5 -10.196 -21.682 -7.173 1.00 0.00 C ATOM 78 OD1 ASP A 5 -10.875 -22.588 -6.607 1.00 0.00 O ATOM 79 OD2 ASP A 5 -9.128 -21.933 -7.763 1.00 0.00 O ATOM 0 H ASP A 5 -12.360 -21.578 -9.195 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.249 -18.980 -7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.874 -19.561 -7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.218 -20.105 -6.137 1.00 0.00 H new ATOM 84 N TYR A 6 -10.558 -18.364 -9.648 1.00 0.00 N ATOM 85 CA TYR A 6 -9.728 -17.919 -10.749 1.00 0.00 C ATOM 86 C TYR A 6 -8.301 -17.893 -10.246 1.00 0.00 C ATOM 87 O TYR A 6 -7.343 -17.766 -11.017 1.00 0.00 O ATOM 88 CB TYR A 6 -10.181 -16.549 -11.271 1.00 0.00 C ATOM 89 CG TYR A 6 -11.646 -16.539 -11.653 1.00 0.00 C ATOM 90 CD1 TYR A 6 -12.129 -17.392 -12.634 1.00 0.00 C ATOM 91 CD2 TYR A 6 -12.547 -15.705 -11.010 1.00 0.00 C ATOM 92 CE1 TYR A 6 -13.467 -17.417 -12.957 1.00 0.00 C ATOM 93 CE2 TYR A 6 -13.885 -15.719 -11.333 1.00 0.00 C ATOM 94 CZ TYR A 6 -14.340 -16.581 -12.304 1.00 0.00 C ATOM 95 OH TYR A 6 -15.689 -16.618 -12.615 1.00 0.00 O ATOM 0 H TYR A 6 -10.803 -17.619 -8.995 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.812 -18.599 -11.597 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -10.001 -15.793 -10.506 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -9.579 -16.275 -12.138 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.445 -18.047 -13.153 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -12.193 -15.033 -10.242 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -13.829 -18.090 -13.720 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.573 -15.058 -10.828 1.00 0.00 H new ATOM 0 HH TYR A 6 -16.170 -15.966 -12.063 1.00 0.00 H new ATOM 105 N LYS A 7 -8.209 -18.024 -8.918 1.00 0.00 N ATOM 106 CA LYS A 7 -6.999 -18.257 -8.153 1.00 0.00 C ATOM 107 C LYS A 7 -6.357 -17.048 -7.522 1.00 0.00 C ATOM 108 O LYS A 7 -6.772 -15.903 -7.713 1.00 0.00 O ATOM 109 CB LYS A 7 -6.004 -19.244 -8.802 1.00 0.00 C ATOM 110 CG LYS A 7 -6.636 -20.602 -9.024 1.00 0.00 C ATOM 111 CD LYS A 7 -5.664 -21.650 -9.500 1.00 0.00 C ATOM 112 CE LYS A 7 -6.394 -22.969 -9.730 1.00 0.00 C ATOM 113 NZ LYS A 7 -7.157 -23.407 -8.526 1.00 0.00 N ATOM 0 H LYS A 7 -9.034 -17.965 -8.321 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.387 -18.789 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.659 -18.842 -9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.126 -19.350 -8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.092 -20.938 -8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.439 -20.505 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.186 -21.323 -10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.873 -21.786 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.077 -22.862 -10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.672 -23.740 -10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.379 -24.420 -8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.584 -23.244 -7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.041 -22.863 -8.458 1.00 0.00 H new ATOM 127 N THR A 8 -5.374 -17.330 -6.724 1.00 0.00 N ATOM 128 CA THR A 8 -4.751 -16.369 -5.901 1.00 0.00 C ATOM 129 C THR A 8 -3.435 -15.902 -6.451 1.00 0.00 C ATOM 130 O THR A 8 -2.669 -16.662 -7.046 1.00 0.00 O ATOM 131 CB THR A 8 -4.468 -17.007 -4.544 1.00 0.00 C ATOM 132 OG1 THR A 8 -5.626 -17.733 -4.107 1.00 0.00 O ATOM 133 CG2 THR A 8 -4.106 -15.942 -3.527 1.00 0.00 C ATOM 0 H THR A 8 -4.979 -18.266 -6.633 1.00 0.00 H new ATOM 0 HA THR A 8 -5.424 -15.514 -5.835 1.00 0.00 H new ATOM 0 HB THR A 8 -3.626 -17.693 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.309 -17.103 -3.795 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.907 -16.412 -2.564 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.217 -15.407 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.934 -15.241 -3.424 1.00 0.00 H new ATOM 141 N ARG A 9 -3.200 -14.655 -6.247 1.00 0.00 N ATOM 142 CA ARG A 9 -1.937 -14.093 -6.426 1.00 0.00 C ATOM 143 C ARG A 9 -1.368 -14.011 -5.021 1.00 0.00 C ATOM 144 O ARG A 9 -1.924 -13.306 -4.170 1.00 0.00 O ATOM 145 CB ARG A 9 -2.067 -12.717 -7.030 1.00 0.00 C ATOM 146 CG ARG A 9 -0.745 -12.032 -7.250 1.00 0.00 C ATOM 147 CD ARG A 9 -0.924 -10.684 -7.910 1.00 0.00 C ATOM 148 NE ARG A 9 0.344 -9.913 -8.000 1.00 0.00 N ATOM 149 CZ ARG A 9 0.610 -8.966 -8.927 1.00 0.00 C ATOM 150 NH1 ARG A 9 -0.184 -8.798 -9.959 1.00 0.00 N ATOM 151 NH2 ARG A 9 1.700 -8.217 -8.818 1.00 0.00 N ATOM 0 H ARG A 9 -3.911 -13.990 -5.942 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.303 -14.672 -7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.590 -12.795 -7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.684 -12.099 -6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.236 -11.906 -6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.107 -12.661 -7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.329 -10.826 -8.912 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.657 -10.104 -7.349 1.00 0.00 H new ATOM 0 HE ARG A 9 1.068 -10.114 -7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.011 -9.385 -10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.026 -8.080 -10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.338 -8.356 -8.034 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.900 -7.503 -9.518 1.00 0.00 H new ATOM 165 N ASP A 10 -0.329 -14.764 -4.757 1.00 0.00 N ATOM 166 CA ASP A 10 0.223 -14.860 -3.406 1.00 0.00 C ATOM 167 C ASP A 10 1.024 -13.634 -3.144 1.00 0.00 C ATOM 168 O ASP A 10 2.167 -13.493 -3.596 1.00 0.00 O ATOM 169 CB ASP A 10 1.116 -16.066 -3.299 1.00 0.00 C ATOM 170 CG ASP A 10 1.170 -16.676 -1.924 1.00 0.00 C ATOM 171 OD1 ASP A 10 1.977 -16.256 -1.078 1.00 0.00 O ATOM 172 OD2 ASP A 10 0.457 -17.672 -1.688 1.00 0.00 O ATOM 0 H ASP A 10 0.161 -15.325 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.586 -14.954 -2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.773 -16.822 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.125 -15.784 -3.599 1.00 0.00 H new ATOM 177 N VAL A 11 0.431 -12.727 -2.472 1.00 0.00 N ATOM 178 CA VAL A 11 1.048 -11.463 -2.281 1.00 0.00 C ATOM 179 C VAL A 11 1.706 -11.327 -0.929 1.00 0.00 C ATOM 180 O VAL A 11 1.275 -10.605 -0.074 1.00 0.00 O ATOM 181 CB VAL A 11 0.118 -10.254 -2.595 1.00 0.00 C ATOM 182 CG1 VAL A 11 -0.252 -10.209 -4.062 1.00 0.00 C ATOM 183 CG2 VAL A 11 -1.128 -10.310 -1.755 1.00 0.00 C ATOM 0 H VAL A 11 -0.487 -12.831 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 11 1.842 -11.431 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 11 0.670 -9.346 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.902 -9.354 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.653 -10.115 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.774 -11.126 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.764 -9.456 -1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.668 -11.233 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.857 -10.281 -0.700 1.00 0.00 H new ATOM 193 N THR A 12 2.694 -12.083 -0.713 1.00 0.00 N ATOM 194 CA THR A 12 3.502 -11.862 0.420 1.00 0.00 C ATOM 195 C THR A 12 4.848 -11.386 -0.027 1.00 0.00 C ATOM 196 O THR A 12 5.415 -10.495 0.562 1.00 0.00 O ATOM 197 CB THR A 12 3.568 -13.083 1.312 1.00 0.00 C ATOM 198 OG1 THR A 12 4.544 -12.937 2.314 1.00 0.00 O ATOM 199 CG2 THR A 12 3.797 -14.330 0.519 1.00 0.00 C ATOM 0 H THR A 12 2.972 -12.867 -1.303 1.00 0.00 H new ATOM 0 HA THR A 12 3.056 -11.084 1.039 1.00 0.00 H new ATOM 0 HB THR A 12 2.599 -13.175 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.475 -13.681 2.949 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.839 -15.187 1.192 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.980 -14.465 -0.190 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.739 -14.248 -0.023 1.00 0.00 H new ATOM 207 N ASP A 13 5.330 -11.936 -1.124 1.00 0.00 N ATOM 208 CA ASP A 13 6.562 -11.466 -1.701 1.00 0.00 C ATOM 209 C ASP A 13 6.327 -10.290 -2.596 1.00 0.00 C ATOM 210 O ASP A 13 7.221 -9.465 -2.810 1.00 0.00 O ATOM 211 CB ASP A 13 7.383 -12.574 -2.351 1.00 0.00 C ATOM 212 CG ASP A 13 8.154 -13.342 -1.300 1.00 0.00 C ATOM 213 OD1 ASP A 13 7.550 -14.144 -0.571 1.00 0.00 O ATOM 214 OD2 ASP A 13 9.362 -13.080 -1.112 1.00 0.00 O ATOM 0 H ASP A 13 4.886 -12.704 -1.627 1.00 0.00 H new ATOM 0 HA ASP A 13 7.187 -11.114 -0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.725 -13.251 -2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.073 -12.146 -3.078 1.00 0.00 H new ATOM 219 N ASP A 14 5.085 -10.132 -3.058 1.00 0.00 N ATOM 220 CA ASP A 14 4.766 -8.953 -3.844 1.00 0.00 C ATOM 221 C ASP A 14 4.653 -7.824 -2.847 1.00 0.00 C ATOM 222 O ASP A 14 5.249 -6.750 -2.978 1.00 0.00 O ATOM 223 CB ASP A 14 3.448 -9.114 -4.588 1.00 0.00 C ATOM 224 CG ASP A 14 3.333 -8.125 -5.715 1.00 0.00 C ATOM 225 OD1 ASP A 14 3.231 -6.931 -5.481 1.00 0.00 O ATOM 226 OD2 ASP A 14 3.443 -8.538 -6.893 1.00 0.00 O ATOM 0 H ASP A 14 4.314 -10.782 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 14 5.531 -8.773 -4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.371 -10.128 -4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.618 -8.977 -3.895 1.00 0.00 H new ATOM 231 N VAL A 15 3.967 -8.153 -1.777 1.00 0.00 N ATOM 232 CA VAL A 15 3.805 -7.306 -0.633 1.00 0.00 C ATOM 233 C VAL A 15 5.155 -7.048 0.064 1.00 0.00 C ATOM 234 O VAL A 15 5.336 -6.052 0.710 1.00 0.00 O ATOM 235 CB VAL A 15 2.726 -7.923 0.313 1.00 0.00 C ATOM 236 CG1 VAL A 15 2.826 -7.445 1.747 1.00 0.00 C ATOM 237 CG2 VAL A 15 1.356 -7.578 -0.235 1.00 0.00 C ATOM 0 H VAL A 15 3.492 -9.051 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 15 3.447 -6.324 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 15 2.895 -9.000 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.045 -7.916 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.802 -7.712 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.703 -6.362 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.588 -8.001 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.242 -6.495 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.251 -7.990 -1.239 1.00 0.00 H new ATOM 247 N LYS A 16 6.107 -7.913 -0.155 1.00 0.00 N ATOM 248 CA LYS A 16 7.421 -7.776 0.422 1.00 0.00 C ATOM 249 C LYS A 16 8.202 -6.701 -0.289 1.00 0.00 C ATOM 250 O LYS A 16 8.970 -5.974 0.340 1.00 0.00 O ATOM 251 CB LYS A 16 8.123 -9.072 0.339 1.00 0.00 C ATOM 252 CG LYS A 16 9.327 -9.190 1.232 1.00 0.00 C ATOM 253 CD LYS A 16 9.844 -10.593 1.190 1.00 0.00 C ATOM 254 CE LYS A 16 8.810 -11.588 1.720 1.00 0.00 C ATOM 255 NZ LYS A 16 9.240 -12.998 1.532 1.00 0.00 N ATOM 0 H LYS A 16 5.995 -8.739 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 16 7.328 -7.483 1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.421 -9.867 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.435 -9.236 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.102 -8.496 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.063 -8.919 2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.109 -10.854 0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.756 -10.664 1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.638 -11.401 2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.860 -11.429 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.408 -13.622 1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.713 -13.097 0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.900 -13.264 2.290 1.00 0.00 H new ATOM 269 N SER A 17 8.008 -6.576 -1.606 1.00 0.00 N ATOM 270 CA SER A 17 8.616 -5.467 -2.311 1.00 0.00 C ATOM 271 C SER A 17 7.957 -4.157 -1.842 1.00 0.00 C ATOM 272 O SER A 17 8.599 -3.109 -1.761 1.00 0.00 O ATOM 273 CB SER A 17 8.591 -5.654 -3.855 1.00 0.00 C ATOM 274 OG SER A 17 7.281 -5.835 -4.392 1.00 0.00 O ATOM 0 H SER A 17 7.453 -7.210 -2.180 1.00 0.00 H new ATOM 0 HA SER A 17 9.677 -5.424 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.049 -4.783 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.203 -6.517 -4.117 1.00 0.00 H new ATOM 0 HG SER A 17 6.648 -5.998 -3.662 1.00 0.00 H new ATOM 280 N ILE A 18 6.676 -4.268 -1.485 1.00 0.00 N ATOM 281 CA ILE A 18 5.912 -3.183 -0.879 1.00 0.00 C ATOM 282 C ILE A 18 6.520 -2.818 0.485 1.00 0.00 C ATOM 283 O ILE A 18 6.755 -1.642 0.775 1.00 0.00 O ATOM 284 CB ILE A 18 4.419 -3.608 -0.727 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.691 -3.561 -2.084 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.684 -2.841 0.370 1.00 0.00 C ATOM 287 CD1 ILE A 18 2.249 -4.022 -2.042 1.00 0.00 C ATOM 0 H ILE A 18 6.137 -5.124 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 18 5.955 -2.304 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 18 4.415 -4.645 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.721 -2.539 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.236 -4.181 -2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.651 -3.184 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.175 -3.016 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.701 -1.775 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.816 -3.955 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.207 -5.055 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.684 -3.388 -1.359 1.00 0.00 H new ATOM 299 N VAL A 19 6.776 -3.842 1.299 1.00 0.00 N ATOM 300 CA VAL A 19 7.414 -3.689 2.602 1.00 0.00 C ATOM 301 C VAL A 19 8.748 -3.008 2.442 1.00 0.00 C ATOM 302 O VAL A 19 9.044 -2.073 3.158 1.00 0.00 O ATOM 303 CB VAL A 19 7.635 -5.048 3.304 1.00 0.00 C ATOM 304 CG1 VAL A 19 8.383 -4.870 4.613 1.00 0.00 C ATOM 305 CG2 VAL A 19 6.333 -5.713 3.587 1.00 0.00 C ATOM 0 H VAL A 19 6.544 -4.808 1.069 1.00 0.00 H new ATOM 0 HA VAL A 19 6.746 -3.088 3.218 1.00 0.00 H new ATOM 0 HB VAL A 19 8.226 -5.668 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.525 -5.842 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.355 -4.416 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.807 -4.224 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.512 -6.668 4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.732 -5.076 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.800 -5.883 2.651 1.00 0.00 H new ATOM 315 N ARG A 20 9.539 -3.491 1.487 1.00 0.00 N ATOM 316 CA ARG A 20 10.826 -2.902 1.164 1.00 0.00 C ATOM 317 C ARG A 20 10.649 -1.418 0.909 1.00 0.00 C ATOM 318 O ARG A 20 11.272 -0.604 1.570 1.00 0.00 O ATOM 319 CB ARG A 20 11.422 -3.575 -0.081 1.00 0.00 C ATOM 320 CG ARG A 20 12.745 -2.975 -0.582 1.00 0.00 C ATOM 321 CD ARG A 20 13.975 -3.381 0.246 1.00 0.00 C ATOM 322 NE ARG A 20 13.937 -2.987 1.677 1.00 0.00 N ATOM 323 CZ ARG A 20 14.812 -2.132 2.236 1.00 0.00 C ATOM 324 NH1 ARG A 20 15.470 -1.268 1.479 1.00 0.00 N ATOM 325 NH2 ARG A 20 14.926 -2.053 3.560 1.00 0.00 N ATOM 0 H ARG A 20 9.301 -4.303 0.917 1.00 0.00 H new ATOM 0 HA ARG A 20 11.507 -3.051 2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.581 -4.631 0.138 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.690 -3.523 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.901 -3.280 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.662 -1.888 -0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.090 -4.463 0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.861 -2.941 -0.211 1.00 0.00 H new ATOM 0 HE ARG A 20 13.208 -3.386 2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.314 -1.250 0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.133 -0.620 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.348 -2.643 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.592 -1.402 3.977 1.00 0.00 H new ATOM 339 N PHE A 21 9.730 -1.103 -0.002 1.00 0.00 N ATOM 340 CA PHE A 21 9.423 0.253 -0.407 1.00 0.00 C ATOM 341 C PHE A 21 9.108 1.149 0.778 1.00 0.00 C ATOM 342 O PHE A 21 9.763 2.158 0.973 1.00 0.00 O ATOM 343 CB PHE A 21 8.250 0.250 -1.372 1.00 0.00 C ATOM 344 CG PHE A 21 7.902 1.602 -1.917 1.00 0.00 C ATOM 345 CD1 PHE A 21 8.681 2.171 -2.901 1.00 0.00 C ATOM 346 CD2 PHE A 21 6.804 2.303 -1.443 1.00 0.00 C ATOM 347 CE1 PHE A 21 8.381 3.409 -3.408 1.00 0.00 C ATOM 348 CE2 PHE A 21 6.499 3.549 -1.945 1.00 0.00 C ATOM 349 CZ PHE A 21 7.289 4.103 -2.931 1.00 0.00 C ATOM 0 H PHE A 21 9.170 -1.805 -0.486 1.00 0.00 H new ATOM 0 HA PHE A 21 10.309 0.655 -0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.479 -0.417 -2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.377 -0.161 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.539 1.635 -3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.183 1.869 -0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.000 3.841 -4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.644 4.091 -1.568 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.053 5.079 -3.329 1.00 0.00 H new ATOM 359 N VAL A 22 8.123 0.774 1.566 1.00 0.00 N ATOM 360 CA VAL A 22 7.720 1.589 2.692 1.00 0.00 C ATOM 361 C VAL A 22 8.796 1.631 3.775 1.00 0.00 C ATOM 362 O VAL A 22 9.034 2.675 4.365 1.00 0.00 O ATOM 363 CB VAL A 22 6.340 1.178 3.277 1.00 0.00 C ATOM 364 CG1 VAL A 22 5.240 1.395 2.251 1.00 0.00 C ATOM 365 CG2 VAL A 22 6.348 -0.265 3.735 1.00 0.00 C ATOM 0 H VAL A 22 7.588 -0.087 1.449 1.00 0.00 H new ATOM 0 HA VAL A 22 7.600 2.600 2.303 1.00 0.00 H new ATOM 0 HB VAL A 22 6.144 1.810 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.281 1.102 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.206 2.448 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.443 0.791 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.369 -0.524 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.574 -0.914 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.106 -0.398 4.507 1.00 0.00 H new ATOM 375 N GLN A 23 9.458 0.497 4.014 1.00 0.00 N ATOM 376 CA GLN A 23 10.551 0.444 4.980 1.00 0.00 C ATOM 377 C GLN A 23 11.706 1.393 4.603 1.00 0.00 C ATOM 378 O GLN A 23 12.144 2.192 5.426 1.00 0.00 O ATOM 379 CB GLN A 23 11.053 -0.991 5.142 1.00 0.00 C ATOM 380 CG GLN A 23 12.186 -1.167 6.130 1.00 0.00 C ATOM 381 CD GLN A 23 12.585 -2.614 6.268 1.00 0.00 C ATOM 382 OE1 GLN A 23 13.445 -3.108 5.540 1.00 0.00 O ATOM 383 NE2 GLN A 23 11.977 -3.301 7.188 1.00 0.00 N ATOM 0 H GLN A 23 9.256 -0.391 3.554 1.00 0.00 H new ATOM 0 HA GLN A 23 10.158 0.787 5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.218 -1.618 5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.380 -1.357 4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.046 -0.582 5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.885 -0.778 7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.269 -2.856 7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.208 -4.285 7.326 1.00 0.00 H new ATOM 392 N GLU A 24 12.178 1.327 3.365 1.00 0.00 N ATOM 393 CA GLU A 24 13.299 2.171 2.960 1.00 0.00 C ATOM 394 C GLU A 24 12.861 3.588 2.645 1.00 0.00 C ATOM 395 O GLU A 24 13.658 4.517 2.703 1.00 0.00 O ATOM 396 CB GLU A 24 14.075 1.592 1.767 1.00 0.00 C ATOM 397 CG GLU A 24 13.247 1.372 0.518 1.00 0.00 C ATOM 398 CD GLU A 24 14.064 0.971 -0.684 1.00 0.00 C ATOM 399 OE1 GLU A 24 14.565 -0.173 -0.721 1.00 0.00 O ATOM 400 OE2 GLU A 24 14.180 1.800 -1.612 1.00 0.00 O ATOM 0 H GLU A 24 11.813 0.713 2.637 1.00 0.00 H new ATOM 0 HA GLU A 24 13.969 2.196 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.899 2.264 1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.517 0.641 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.504 0.600 0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.702 2.287 0.288 1.00 0.00 H new ATOM 407 N HIS A 25 11.600 3.775 2.332 1.00 0.00 N ATOM 408 CA HIS A 25 11.161 5.102 1.947 1.00 0.00 C ATOM 409 C HIS A 25 10.351 5.756 3.013 1.00 0.00 C ATOM 410 O HIS A 25 9.622 6.693 2.744 1.00 0.00 O ATOM 411 CB HIS A 25 10.473 5.157 0.566 1.00 0.00 C ATOM 412 CG HIS A 25 11.401 4.800 -0.561 1.00 0.00 C ATOM 413 ND1 HIS A 25 12.390 5.643 -1.035 1.00 0.00 N ATOM 414 CD2 HIS A 25 11.535 3.654 -1.254 1.00 0.00 C ATOM 415 CE1 HIS A 25 13.086 5.011 -1.960 1.00 0.00 C ATOM 416 NE2 HIS A 25 12.595 3.802 -2.109 1.00 0.00 N ATOM 0 H HIS A 25 10.879 3.054 2.334 1.00 0.00 H new ATOM 0 HA HIS A 25 12.073 5.688 1.832 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.623 4.474 0.561 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.078 6.159 0.402 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.917 2.774 -1.154 1.00 0.00 H new ATOM 0 HE1 HIS A 25 13.923 5.421 -2.506 1.00 0.00 H new ATOM 0 HE2 HIS A 25 12.944 3.092 -2.753 1.00 0.00 H new ATOM 425 N SER A 26 10.529 5.285 4.251 1.00 0.00 N ATOM 426 CA SER A 26 9.947 5.936 5.412 1.00 0.00 C ATOM 427 C SER A 26 10.560 7.343 5.491 1.00 0.00 C ATOM 428 O SER A 26 9.941 8.303 5.943 1.00 0.00 O ATOM 429 CB SER A 26 10.241 5.117 6.685 1.00 0.00 C ATOM 430 OG SER A 26 9.624 5.682 7.831 1.00 0.00 O ATOM 0 H SER A 26 11.075 4.451 4.468 1.00 0.00 H new ATOM 0 HA SER A 26 8.863 6.006 5.327 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.888 4.095 6.549 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.318 5.064 6.842 1.00 0.00 H new ATOM 0 HG SER A 26 9.831 5.135 8.617 1.00 0.00 H new ATOM 436 N SER A 27 11.792 7.434 5.039 1.00 0.00 N ATOM 437 CA SER A 27 12.418 8.676 4.806 1.00 0.00 C ATOM 438 C SER A 27 12.154 8.979 3.333 1.00 0.00 C ATOM 439 O SER A 27 12.578 8.216 2.456 1.00 0.00 O ATOM 440 CB SER A 27 13.908 8.553 5.090 1.00 0.00 C ATOM 441 OG SER A 27 14.110 8.084 6.410 1.00 0.00 O ATOM 0 H SER A 27 12.377 6.626 4.827 1.00 0.00 H new ATOM 0 HA SER A 27 12.040 9.473 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.368 7.868 4.377 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.393 9.521 4.960 1.00 0.00 H new ATOM 0 HG SER A 27 15.071 8.005 6.586 1.00 0.00 H new ATOM 447 N SER A 28 11.431 10.050 3.070 1.00 0.00 N ATOM 448 CA SER A 28 10.949 10.420 1.731 1.00 0.00 C ATOM 449 C SER A 28 12.054 10.800 0.691 1.00 0.00 C ATOM 450 O SER A 28 11.807 11.581 -0.244 1.00 0.00 O ATOM 451 CB SER A 28 9.948 11.549 1.896 1.00 0.00 C ATOM 452 OG SER A 28 8.879 11.138 2.749 1.00 0.00 O ATOM 0 H SER A 28 11.149 10.712 3.793 1.00 0.00 H new ATOM 0 HA SER A 28 10.494 9.528 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.442 12.425 2.316 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.555 11.841 0.922 1.00 0.00 H new ATOM 0 HG SER A 28 8.346 10.451 2.297 1.00 0.00 H new ATOM 458 N GLN A 29 13.217 10.194 0.792 1.00 0.00 N ATOM 459 CA GLN A 29 14.261 10.422 -0.161 1.00 0.00 C ATOM 460 C GLN A 29 13.899 9.672 -1.432 1.00 0.00 C ATOM 461 O GLN A 29 13.549 8.479 -1.393 1.00 0.00 O ATOM 462 CB GLN A 29 15.626 9.972 0.379 1.00 0.00 C ATOM 463 CG GLN A 29 16.798 10.261 -0.568 1.00 0.00 C ATOM 464 CD GLN A 29 16.927 11.741 -0.913 1.00 0.00 C ATOM 465 OE1 GLN A 29 16.344 12.226 -1.903 1.00 0.00 O ATOM 466 NE2 GLN A 29 17.672 12.464 -0.121 1.00 0.00 N ATOM 0 H GLN A 29 13.456 9.536 1.534 1.00 0.00 H new ATOM 0 HA GLN A 29 14.349 11.489 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.810 10.470 1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.591 8.901 0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.724 9.918 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.667 9.688 -1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.134 12.032 0.680 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.792 13.460 -0.303 1.00 0.00 H new ATOM 475 N GLY A 30 13.920 10.384 -2.528 1.00 0.00 N ATOM 476 CA GLY A 30 13.526 9.824 -3.792 1.00 0.00 C ATOM 477 C GLY A 30 12.138 10.288 -4.169 1.00 0.00 C ATOM 478 O GLY A 30 11.825 10.456 -5.335 1.00 0.00 O ATOM 0 H GLY A 30 14.209 11.361 -2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.236 10.119 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.549 8.736 -3.737 1.00 0.00 H new ATOM 482 N MET A 31 11.336 10.605 -3.155 1.00 0.00 N ATOM 483 CA MET A 31 9.934 11.019 -3.344 1.00 0.00 C ATOM 484 C MET A 31 9.846 12.483 -3.767 1.00 0.00 C ATOM 485 O MET A 31 8.766 13.073 -3.848 1.00 0.00 O ATOM 486 CB MET A 31 9.132 10.775 -2.066 1.00 0.00 C ATOM 487 CG MET A 31 9.081 9.312 -1.649 1.00 0.00 C ATOM 488 SD MET A 31 8.238 9.048 -0.081 1.00 0.00 S ATOM 489 CE MET A 31 6.584 9.621 -0.457 1.00 0.00 C ATOM 0 H MET A 31 11.632 10.585 -2.179 1.00 0.00 H new ATOM 0 HA MET A 31 9.505 10.415 -4.144 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.568 11.360 -1.256 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.115 11.139 -2.210 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.577 8.737 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.098 8.926 -1.576 1.00 0.00 H new ATOM 0 HE1 MET A 31 5.899 9.293 0.325 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.579 10.710 -0.510 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.265 9.210 -1.415 1.00 0.00 H new ATOM 499 N ARG A 32 10.995 13.052 -4.005 1.00 0.00 N ATOM 500 CA ARG A 32 11.123 14.395 -4.514 1.00 0.00 C ATOM 501 C ARG A 32 11.175 14.362 -6.040 1.00 0.00 C ATOM 502 O ARG A 32 11.007 15.381 -6.703 1.00 0.00 O ATOM 503 CB ARG A 32 12.395 15.062 -3.959 1.00 0.00 C ATOM 504 CG ARG A 32 13.668 14.258 -4.205 1.00 0.00 C ATOM 505 CD ARG A 32 14.912 15.005 -3.754 1.00 0.00 C ATOM 506 NE ARG A 32 16.121 14.170 -3.887 1.00 0.00 N ATOM 507 CZ ARG A 32 17.091 14.330 -4.809 1.00 0.00 C ATOM 508 NH1 ARG A 32 16.979 15.275 -5.754 1.00 0.00 N ATOM 509 NH2 ARG A 32 18.164 13.529 -4.790 1.00 0.00 N ATOM 0 H ARG A 32 11.889 12.588 -3.848 1.00 0.00 H new ATOM 0 HA ARG A 32 10.259 14.977 -4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.505 16.047 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.275 15.216 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.604 13.308 -3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.750 14.026 -5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.028 15.912 -4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.795 15.315 -2.716 1.00 0.00 H new ATOM 0 HE ARG A 32 16.233 13.404 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.156 15.878 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.716 15.391 -6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.245 12.801 -4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.900 13.646 -5.486 1.00 0.00 H new ATOM 523 N ASN A 33 11.401 13.176 -6.595 1.00 0.00 N ATOM 524 CA ASN A 33 11.531 13.037 -8.031 1.00 0.00 C ATOM 525 C ASN A 33 10.182 12.703 -8.630 1.00 0.00 C ATOM 526 O ASN A 33 9.837 11.526 -8.853 1.00 0.00 O ATOM 527 CB ASN A 33 12.577 11.984 -8.403 1.00 0.00 C ATOM 528 CG ASN A 33 12.909 11.958 -9.893 1.00 0.00 C ATOM 529 OD1 ASN A 33 13.797 12.662 -10.345 1.00 0.00 O ATOM 530 ND2 ASN A 33 12.211 11.147 -10.652 1.00 0.00 N ATOM 0 H ASN A 33 11.497 12.306 -6.072 1.00 0.00 H new ATOM 0 HA ASN A 33 11.878 13.985 -8.442 1.00 0.00 H new ATOM 0 HB2 ASN A 33 13.490 12.174 -7.838 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.215 11.001 -8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.404 11.092 -11.652 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.475 10.572 -10.242 1.00 0.00 H new ATOM 537 N ILE A 34 9.395 13.738 -8.766 1.00 0.00 N ATOM 538 CA ILE A 34 8.059 13.693 -9.315 1.00 0.00 C ATOM 539 C ILE A 34 7.539 15.135 -9.338 1.00 0.00 C ATOM 540 O ILE A 34 8.051 15.997 -8.607 1.00 0.00 O ATOM 541 CB ILE A 34 7.115 12.768 -8.460 1.00 0.00 C ATOM 542 CG1 ILE A 34 5.719 12.650 -9.088 1.00 0.00 C ATOM 543 CG2 ILE A 34 7.019 13.251 -7.020 1.00 0.00 C ATOM 544 CD1 ILE A 34 4.795 11.709 -8.361 1.00 0.00 C ATOM 0 H ILE A 34 9.677 14.677 -8.486 1.00 0.00 H new ATOM 0 HA ILE A 34 8.075 13.268 -10.319 1.00 0.00 H new ATOM 0 HB ILE A 34 7.562 11.774 -8.453 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.262 13.639 -9.119 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.824 12.314 -10.120 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.360 12.590 -6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.011 13.245 -6.567 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.618 14.264 -7.002 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.830 11.682 -8.868 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.228 10.709 -8.352 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.657 12.054 -7.336 1.00 0.00 H new ATOM 556 N LYS A 35 6.581 15.445 -10.179 1.00 0.00 N ATOM 557 CA LYS A 35 6.120 16.790 -10.220 1.00 0.00 C ATOM 558 C LYS A 35 4.892 17.008 -9.334 1.00 0.00 C ATOM 559 O LYS A 35 4.632 18.145 -8.930 1.00 0.00 O ATOM 560 CB LYS A 35 5.878 17.275 -11.638 1.00 0.00 C ATOM 561 CG LYS A 35 5.849 18.804 -11.777 1.00 0.00 C ATOM 562 CD LYS A 35 7.222 19.445 -11.452 1.00 0.00 C ATOM 563 CE LYS A 35 7.279 20.196 -10.094 1.00 0.00 C ATOM 564 NZ LYS A 35 7.138 19.331 -8.882 1.00 0.00 N ATOM 0 H LYS A 35 6.124 14.798 -10.822 1.00 0.00 H new ATOM 0 HA LYS A 35 6.924 17.400 -9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.658 16.876 -12.286 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.931 16.870 -11.993 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.557 19.070 -12.793 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.091 19.214 -11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.982 18.664 -11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.481 20.142 -12.249 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.227 20.730 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.489 20.947 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.389 19.878 -8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.155 19.001 -8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.772 18.511 -8.965 1.00 0.00 H new ATOM 578 N HIS A 36 4.183 15.930 -9.019 1.00 0.00 N ATOM 579 CA HIS A 36 2.982 15.984 -8.169 1.00 0.00 C ATOM 580 C HIS A 36 3.316 16.630 -6.821 1.00 0.00 C ATOM 581 O HIS A 36 4.293 16.253 -6.171 1.00 0.00 O ATOM 582 CB HIS A 36 2.416 14.565 -7.942 1.00 0.00 C ATOM 583 CG HIS A 36 1.092 14.515 -7.207 1.00 0.00 C ATOM 584 ND1 HIS A 36 0.970 14.603 -5.836 1.00 0.00 N ATOM 585 CD2 HIS A 36 -0.169 14.374 -7.674 1.00 0.00 C ATOM 586 CE1 HIS A 36 -0.294 14.511 -5.499 1.00 0.00 C ATOM 587 NE2 HIS A 36 -1.014 14.371 -6.591 1.00 0.00 N ATOM 0 H HIS A 36 4.418 14.991 -9.341 1.00 0.00 H new ATOM 0 HA HIS A 36 2.229 16.586 -8.677 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.296 14.079 -8.910 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.148 13.983 -7.382 1.00 0.00 H new ATOM 0 HD1 HIS A 36 1.745 14.722 -5.184 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.459 14.281 -8.710 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.680 14.545 -4.491 1.00 0.00 H new ATOM 596 N VAL A 37 2.500 17.593 -6.432 1.00 0.00 N ATOM 597 CA VAL A 37 2.678 18.349 -5.194 1.00 0.00 C ATOM 598 C VAL A 37 2.564 17.473 -3.938 1.00 0.00 C ATOM 599 O VAL A 37 2.113 16.313 -3.993 1.00 0.00 O ATOM 600 CB VAL A 37 1.671 19.530 -5.097 1.00 0.00 C ATOM 601 CG1 VAL A 37 1.896 20.521 -6.230 1.00 0.00 C ATOM 602 CG2 VAL A 37 0.226 19.025 -5.110 1.00 0.00 C ATOM 0 H VAL A 37 1.683 17.880 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 37 3.693 18.744 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 37 1.844 20.040 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.182 21.340 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.910 20.916 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.758 20.017 -7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.456 19.872 -5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.038 18.483 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.065 18.360 -4.262 1.00 0.00 H new ATOM 612 N GLY A 38 2.964 18.031 -2.829 1.00 0.00 N ATOM 613 CA GLY A 38 2.927 17.335 -1.582 1.00 0.00 C ATOM 614 C GLY A 38 4.304 17.282 -0.970 1.00 0.00 C ATOM 615 O GLY A 38 5.260 16.939 -1.658 1.00 0.00 O ATOM 0 H GLY A 38 3.325 18.983 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.238 17.833 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.550 16.324 -1.734 1.00 0.00 H new ATOM 619 N PRO A 39 4.446 17.595 0.321 1.00 0.00 N ATOM 620 CA PRO A 39 5.759 17.620 0.995 1.00 0.00 C ATOM 621 C PRO A 39 6.249 16.222 1.396 1.00 0.00 C ATOM 622 O PRO A 39 7.261 16.090 2.074 1.00 0.00 O ATOM 623 CB PRO A 39 5.478 18.460 2.242 1.00 0.00 C ATOM 624 CG PRO A 39 4.051 18.172 2.569 1.00 0.00 C ATOM 625 CD PRO A 39 3.349 17.971 1.250 1.00 0.00 C ATOM 0 HA PRO A 39 6.544 18.014 0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.138 18.184 3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.635 19.521 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.967 17.283 3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.605 18.996 3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.593 17.189 1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.842 18.879 0.924 1.00 0.00 H new ATOM 633 N SER A 40 5.517 15.192 0.944 1.00 0.00 N ATOM 634 CA SER A 40 5.805 13.797 1.259 1.00 0.00 C ATOM 635 C SER A 40 5.615 13.568 2.777 1.00 0.00 C ATOM 636 O SER A 40 4.814 14.284 3.404 1.00 0.00 O ATOM 637 CB SER A 40 7.215 13.432 0.768 1.00 0.00 C ATOM 638 OG SER A 40 7.369 13.785 -0.618 1.00 0.00 O ATOM 0 H SER A 40 4.701 15.313 0.344 1.00 0.00 H new ATOM 0 HA SER A 40 5.112 13.134 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.962 13.952 1.368 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.388 12.364 0.899 1.00 0.00 H new ATOM 0 HG SER A 40 8.272 13.549 -0.917 1.00 0.00 H new ATOM 644 N GLY A 41 6.254 12.551 3.351 1.00 0.00 N ATOM 645 CA GLY A 41 6.118 12.285 4.786 1.00 0.00 C ATOM 646 C GLY A 41 4.831 11.543 5.134 1.00 0.00 C ATOM 647 O GLY A 41 4.812 10.682 6.002 1.00 0.00 O ATOM 0 H GLY A 41 6.865 11.903 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.972 11.698 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.145 13.229 5.329 1.00 0.00 H new ATOM 651 N ARG A 42 3.762 11.895 4.475 1.00 0.00 N ATOM 652 CA ARG A 42 2.501 11.264 4.682 1.00 0.00 C ATOM 653 C ARG A 42 2.370 10.054 3.781 1.00 0.00 C ATOM 654 O ARG A 42 2.259 10.181 2.559 1.00 0.00 O ATOM 655 CB ARG A 42 1.344 12.238 4.448 1.00 0.00 C ATOM 656 CG ARG A 42 1.333 13.428 5.399 1.00 0.00 C ATOM 657 CD ARG A 42 0.062 14.241 5.242 1.00 0.00 C ATOM 658 NE ARG A 42 0.015 15.400 6.159 1.00 0.00 N ATOM 659 CZ ARG A 42 -1.113 15.916 6.706 1.00 0.00 C ATOM 660 NH1 ARG A 42 -2.293 15.315 6.511 1.00 0.00 N ATOM 661 NH2 ARG A 42 -1.044 17.015 7.473 1.00 0.00 N ATOM 0 H ARG A 42 3.748 12.636 3.774 1.00 0.00 H new ATOM 0 HA ARG A 42 2.452 10.938 5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.394 12.606 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.402 11.698 4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.419 13.077 6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.199 14.061 5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.016 14.592 4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.800 13.600 5.426 1.00 0.00 H new ATOM 0 HE ARG A 42 0.900 15.846 6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.346 14.465 5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.139 15.707 6.924 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.143 17.462 7.644 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.892 17.404 7.885 1.00 0.00 H new ATOM 675 N PHE A 43 2.385 8.904 4.386 1.00 0.00 N ATOM 676 CA PHE A 43 2.251 7.649 3.678 1.00 0.00 C ATOM 677 C PHE A 43 0.903 7.115 3.979 1.00 0.00 C ATOM 678 O PHE A 43 0.620 6.731 5.090 1.00 0.00 O ATOM 679 CB PHE A 43 3.315 6.644 4.137 1.00 0.00 C ATOM 680 CG PHE A 43 4.707 7.184 4.080 1.00 0.00 C ATOM 681 CD1 PHE A 43 5.341 7.376 2.869 1.00 0.00 C ATOM 682 CD2 PHE A 43 5.373 7.525 5.243 1.00 0.00 C ATOM 683 CE1 PHE A 43 6.613 7.894 2.821 1.00 0.00 C ATOM 684 CE2 PHE A 43 6.644 8.046 5.199 1.00 0.00 C ATOM 685 CZ PHE A 43 7.264 8.232 3.986 1.00 0.00 C ATOM 0 H PHE A 43 2.491 8.801 5.395 1.00 0.00 H new ATOM 0 HA PHE A 43 2.385 7.809 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.095 6.335 5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.254 5.752 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.833 7.117 1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.889 7.380 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.102 8.036 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.154 8.308 6.114 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.262 8.643 3.947 1.00 0.00 H new ATOM 695 N THR A 44 0.054 7.175 3.016 1.00 0.00 N ATOM 696 CA THR A 44 -1.291 6.749 3.170 1.00 0.00 C ATOM 697 C THR A 44 -1.574 5.641 2.164 1.00 0.00 C ATOM 698 O THR A 44 -0.875 5.540 1.140 1.00 0.00 O ATOM 699 CB THR A 44 -2.251 7.948 2.956 1.00 0.00 C ATOM 700 OG1 THR A 44 -2.080 8.477 1.630 1.00 0.00 O ATOM 701 CG2 THR A 44 -1.939 9.053 3.959 1.00 0.00 C ATOM 0 H THR A 44 0.277 7.527 2.085 1.00 0.00 H new ATOM 0 HA THR A 44 -1.450 6.365 4.178 1.00 0.00 H new ATOM 0 HB THR A 44 -3.275 7.601 3.093 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.689 9.233 1.498 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.618 9.891 3.801 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.064 8.671 4.972 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.911 9.389 3.822 1.00 0.00 H new ATOM 709 N MET A 45 -2.579 4.818 2.457 1.00 0.00 N ATOM 710 CA MET A 45 -2.972 3.677 1.601 1.00 0.00 C ATOM 711 C MET A 45 -3.153 4.076 0.134 1.00 0.00 C ATOM 712 O MET A 45 -2.720 3.372 -0.765 1.00 0.00 O ATOM 713 CB MET A 45 -4.290 3.026 2.096 1.00 0.00 C ATOM 714 CG MET A 45 -5.491 3.988 2.151 1.00 0.00 C ATOM 715 SD MET A 45 -7.079 3.163 2.375 1.00 0.00 S ATOM 716 CE MET A 45 -7.234 2.336 0.785 1.00 0.00 C ATOM 0 H MET A 45 -3.152 4.916 3.295 1.00 0.00 H new ATOM 0 HA MET A 45 -2.152 2.962 1.672 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.538 2.191 1.440 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.126 2.612 3.091 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.341 4.694 2.968 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.521 4.569 1.229 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.284 2.304 0.492 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.665 2.883 0.033 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.848 1.320 0.864 1.00 0.00 H new ATOM 726 N ASN A 46 -3.732 5.242 -0.080 1.00 0.00 N ATOM 727 CA ASN A 46 -4.118 5.689 -1.410 1.00 0.00 C ATOM 728 C ASN A 46 -2.894 5.980 -2.269 1.00 0.00 C ATOM 729 O ASN A 46 -2.848 5.616 -3.450 1.00 0.00 O ATOM 730 CB ASN A 46 -5.014 6.923 -1.299 1.00 0.00 C ATOM 731 CG ASN A 46 -5.653 7.299 -2.612 1.00 0.00 C ATOM 732 OD1 ASN A 46 -5.108 8.062 -3.388 1.00 0.00 O ATOM 733 ND2 ASN A 46 -6.812 6.747 -2.872 1.00 0.00 N ATOM 0 H ASN A 46 -3.949 5.908 0.661 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.676 4.890 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.794 6.735 -0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.424 7.763 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.289 6.952 -3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.238 6.112 -2.196 1.00 0.00 H new ATOM 740 N MET A 47 -1.883 6.572 -1.642 1.00 0.00 N ATOM 741 CA MET A 47 -0.635 6.921 -2.318 1.00 0.00 C ATOM 742 C MET A 47 0.114 5.674 -2.720 1.00 0.00 C ATOM 743 O MET A 47 0.681 5.603 -3.804 1.00 0.00 O ATOM 744 CB MET A 47 0.253 7.791 -1.410 1.00 0.00 C ATOM 745 CG MET A 47 -0.246 9.210 -1.222 1.00 0.00 C ATOM 746 SD MET A 47 -0.146 10.175 -2.738 1.00 0.00 S ATOM 747 CE MET A 47 -0.901 11.709 -2.216 1.00 0.00 C ATOM 0 H MET A 47 -1.904 6.824 -0.654 1.00 0.00 H new ATOM 0 HA MET A 47 -0.885 7.490 -3.213 1.00 0.00 H new ATOM 0 HB2 MET A 47 0.331 7.314 -0.433 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.258 7.825 -1.830 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.279 9.187 -0.876 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.340 9.699 -0.443 1.00 0.00 H new ATOM 0 HE1 MET A 47 -0.912 12.411 -3.050 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.923 11.518 -1.888 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.329 12.134 -1.391 1.00 0.00 H new ATOM 757 N LEU A 48 0.076 4.678 -1.852 1.00 0.00 N ATOM 758 CA LEU A 48 0.778 3.425 -2.083 1.00 0.00 C ATOM 759 C LEU A 48 0.232 2.704 -3.310 1.00 0.00 C ATOM 760 O LEU A 48 0.995 2.201 -4.125 1.00 0.00 O ATOM 761 CB LEU A 48 0.695 2.524 -0.850 1.00 0.00 C ATOM 762 CG LEU A 48 1.253 3.106 0.452 1.00 0.00 C ATOM 763 CD1 LEU A 48 1.148 2.095 1.571 1.00 0.00 C ATOM 764 CD2 LEU A 48 2.694 3.570 0.276 1.00 0.00 C ATOM 0 H LEU A 48 -0.439 4.713 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 48 1.826 3.660 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.350 2.261 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.227 1.597 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 48 0.654 3.978 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.549 2.525 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.102 1.827 1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.717 1.203 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.062 3.978 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.315 2.725 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.737 4.340 -0.495 1.00 0.00 H new ATOM 776 N VAL A 49 -1.085 2.701 -3.451 1.00 0.00 N ATOM 777 CA VAL A 49 -1.758 2.088 -4.538 1.00 0.00 C ATOM 778 C VAL A 49 -1.438 2.797 -5.831 1.00 0.00 C ATOM 779 O VAL A 49 -1.149 2.167 -6.860 1.00 0.00 O ATOM 780 CB VAL A 49 -3.251 2.201 -4.287 1.00 0.00 C ATOM 781 CG1 VAL A 49 -4.006 1.722 -5.455 1.00 0.00 C ATOM 782 CG2 VAL A 49 -3.624 1.429 -3.067 1.00 0.00 C ATOM 0 H VAL A 49 -1.715 3.143 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.442 1.048 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.502 3.249 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.075 1.810 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.747 2.322 -6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.757 0.678 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.697 1.516 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.363 0.380 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.085 1.826 -2.206 1.00 0.00 H new ATOM 792 N ASP A 50 -1.488 4.101 -5.765 1.00 0.00 N ATOM 793 CA ASP A 50 -1.269 4.944 -6.926 1.00 0.00 C ATOM 794 C ASP A 50 0.156 4.724 -7.463 1.00 0.00 C ATOM 795 O ASP A 50 0.385 4.669 -8.673 1.00 0.00 O ATOM 796 CB ASP A 50 -1.528 6.407 -6.560 1.00 0.00 C ATOM 797 CG ASP A 50 -1.884 7.242 -7.761 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.087 7.278 -8.139 1.00 0.00 O ATOM 799 OD2 ASP A 50 -0.999 7.857 -8.366 1.00 0.00 O ATOM 0 H ASP A 50 -1.682 4.616 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.966 4.677 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.337 6.459 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.641 6.822 -6.082 1.00 0.00 H new ATOM 804 N ILE A 51 1.090 4.526 -6.545 1.00 0.00 N ATOM 805 CA ILE A 51 2.472 4.184 -6.871 1.00 0.00 C ATOM 806 C ILE A 51 2.555 2.764 -7.442 1.00 0.00 C ATOM 807 O ILE A 51 3.128 2.555 -8.500 1.00 0.00 O ATOM 808 CB ILE A 51 3.382 4.336 -5.615 1.00 0.00 C ATOM 809 CG1 ILE A 51 3.487 5.811 -5.288 1.00 0.00 C ATOM 810 CG2 ILE A 51 4.779 3.747 -5.836 1.00 0.00 C ATOM 811 CD1 ILE A 51 4.228 6.139 -4.048 1.00 0.00 C ATOM 0 H ILE A 51 0.911 4.598 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 51 2.830 4.875 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 51 2.935 3.783 -4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.970 6.317 -6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.480 6.220 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.376 3.877 -4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.694 2.685 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.263 4.260 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.243 7.220 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.736 5.670 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.250 5.769 -4.126 1.00 0.00 H new ATOM 823 N PHE A 52 1.948 1.819 -6.738 1.00 0.00 N ATOM 824 CA PHE A 52 1.896 0.405 -7.120 1.00 0.00 C ATOM 825 C PHE A 52 1.414 0.222 -8.578 1.00 0.00 C ATOM 826 O PHE A 52 1.961 -0.598 -9.325 1.00 0.00 O ATOM 827 CB PHE A 52 0.976 -0.326 -6.126 1.00 0.00 C ATOM 828 CG PHE A 52 0.947 -1.820 -6.221 1.00 0.00 C ATOM 829 CD1 PHE A 52 2.069 -2.570 -5.915 1.00 0.00 C ATOM 830 CD2 PHE A 52 -0.212 -2.477 -6.589 1.00 0.00 C ATOM 831 CE1 PHE A 52 2.037 -3.946 -5.980 1.00 0.00 C ATOM 832 CE2 PHE A 52 -0.250 -3.853 -6.650 1.00 0.00 C ATOM 833 CZ PHE A 52 0.877 -4.589 -6.347 1.00 0.00 C ATOM 0 H PHE A 52 1.464 2.014 -5.862 1.00 0.00 H new ATOM 0 HA PHE A 52 2.898 -0.021 -7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.280 -0.054 -5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.040 0.045 -6.264 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.981 -2.071 -5.622 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.096 -1.906 -6.831 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.921 -4.519 -5.743 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.162 -4.356 -6.935 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.849 -5.667 -6.398 1.00 0.00 H new ATOM 843 N LEU A 53 0.415 0.993 -8.976 1.00 0.00 N ATOM 844 CA LEU A 53 -0.084 0.955 -10.350 1.00 0.00 C ATOM 845 C LEU A 53 0.787 1.762 -11.308 1.00 0.00 C ATOM 846 O LEU A 53 0.908 1.423 -12.482 1.00 0.00 O ATOM 847 CB LEU A 53 -1.541 1.424 -10.446 1.00 0.00 C ATOM 848 CG LEU A 53 -2.631 0.345 -10.361 1.00 0.00 C ATOM 849 CD1 LEU A 53 -2.580 -0.450 -9.078 1.00 0.00 C ATOM 850 CD2 LEU A 53 -3.992 0.957 -10.537 1.00 0.00 C ATOM 0 H LEU A 53 -0.070 1.655 -8.370 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.038 -0.091 -10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.717 2.146 -9.649 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.664 1.955 -11.390 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.436 -0.355 -11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.375 -1.195 -9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.615 -0.950 -8.998 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.713 0.220 -8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.752 0.178 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.163 1.695 -9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.050 1.442 -11.511 1.00 0.00 H new ATOM 862 N GLY A 54 1.405 2.806 -10.811 1.00 0.00 N ATOM 863 CA GLY A 54 2.235 3.634 -11.662 1.00 0.00 C ATOM 864 C GLY A 54 1.522 4.895 -12.132 1.00 0.00 C ATOM 865 O GLY A 54 1.801 5.431 -13.224 1.00 0.00 O ATOM 0 H GLY A 54 1.353 3.102 -9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.139 3.913 -11.120 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.550 3.055 -12.530 1.00 0.00 H new ATOM 869 N SER A 55 0.670 5.408 -11.294 1.00 0.00 N ATOM 870 CA SER A 55 -0.152 6.548 -11.602 1.00 0.00 C ATOM 871 C SER A 55 0.594 7.882 -11.286 1.00 0.00 C ATOM 872 O SER A 55 1.790 7.889 -10.975 1.00 0.00 O ATOM 873 CB SER A 55 -1.439 6.408 -10.816 1.00 0.00 C ATOM 874 OG SER A 55 -2.391 7.421 -11.104 1.00 0.00 O ATOM 0 H SER A 55 0.522 5.039 -10.355 1.00 0.00 H new ATOM 0 HA SER A 55 -0.379 6.582 -12.668 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.881 5.434 -11.028 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.209 6.429 -9.751 1.00 0.00 H new ATOM 0 HG SER A 55 -2.871 7.661 -10.284 1.00 0.00 H new ATOM 880 N LYS A 56 -0.073 9.004 -11.455 1.00 0.00 N ATOM 881 CA LYS A 56 0.567 10.298 -11.252 1.00 0.00 C ATOM 882 C LYS A 56 -0.001 11.087 -10.070 1.00 0.00 C ATOM 883 O LYS A 56 0.363 12.249 -9.868 1.00 0.00 O ATOM 884 CB LYS A 56 0.609 11.176 -12.533 1.00 0.00 C ATOM 885 CG LYS A 56 1.839 10.983 -13.472 1.00 0.00 C ATOM 886 CD LYS A 56 1.618 10.040 -14.681 1.00 0.00 C ATOM 887 CE LYS A 56 1.527 8.564 -14.325 1.00 0.00 C ATOM 888 NZ LYS A 56 2.774 8.035 -13.697 1.00 0.00 N ATOM 0 H LYS A 56 -1.054 9.053 -11.731 1.00 0.00 H new ATOM 0 HA LYS A 56 1.597 10.044 -11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.294 10.980 -13.110 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.573 12.222 -12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.144 11.960 -13.847 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.668 10.596 -12.880 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.701 10.334 -15.192 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.436 10.180 -15.388 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.691 8.412 -13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.310 7.992 -15.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.525 7.411 -12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.317 7.498 -14.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.350 8.827 -13.347 1.00 0.00 H new ATOM 902 N SER A 57 -0.842 10.462 -9.274 1.00 0.00 N ATOM 903 CA SER A 57 -1.364 11.107 -8.075 1.00 0.00 C ATOM 904 C SER A 57 -0.401 10.795 -6.934 1.00 0.00 C ATOM 905 O SER A 57 -0.394 11.451 -5.886 1.00 0.00 O ATOM 906 CB SER A 57 -2.759 10.579 -7.761 1.00 0.00 C ATOM 907 OG SER A 57 -3.602 10.686 -8.897 1.00 0.00 O ATOM 0 H SER A 57 -1.181 9.513 -9.429 1.00 0.00 H new ATOM 0 HA SER A 57 -1.444 12.185 -8.218 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.697 9.538 -7.445 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.187 11.139 -6.930 1.00 0.00 H new ATOM 0 HG SER A 57 -4.492 10.341 -8.677 1.00 0.00 H new ATOM 913 N ALA A 58 0.385 9.778 -7.207 1.00 0.00 N ATOM 914 CA ALA A 58 1.453 9.232 -6.424 1.00 0.00 C ATOM 915 C ALA A 58 2.472 10.293 -5.947 1.00 0.00 C ATOM 916 O ALA A 58 2.430 11.471 -6.337 1.00 0.00 O ATOM 917 CB ALA A 58 2.141 8.192 -7.307 1.00 0.00 C ATOM 0 H ALA A 58 0.273 9.263 -8.080 1.00 0.00 H new ATOM 0 HA ALA A 58 1.046 8.799 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.968 7.740 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.424 7.419 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.522 8.674 -8.207 1.00 0.00 H new ATOM 923 N LYS A 59 3.406 9.864 -5.116 1.00 0.00 N ATOM 924 CA LYS A 59 4.409 10.768 -4.583 1.00 0.00 C ATOM 925 C LYS A 59 5.827 10.437 -4.987 1.00 0.00 C ATOM 926 O LYS A 59 6.759 11.023 -4.448 1.00 0.00 O ATOM 927 CB LYS A 59 4.305 10.926 -3.071 1.00 0.00 C ATOM 928 CG LYS A 59 3.243 11.913 -2.619 1.00 0.00 C ATOM 929 CD LYS A 59 3.501 13.363 -3.121 1.00 0.00 C ATOM 930 CE LYS A 59 4.823 13.986 -2.605 1.00 0.00 C ATOM 931 NZ LYS A 59 6.057 13.555 -3.340 1.00 0.00 N ATOM 0 H LYS A 59 3.490 8.899 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 59 4.176 11.726 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.092 9.953 -2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.272 11.247 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.269 11.579 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.198 11.915 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.514 13.362 -4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.669 13.996 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.743 15.071 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.939 13.733 -1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.772 13.230 -2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.820 12.779 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.436 14.357 -3.882 1.00 0.00 H new ATOM 945 N ILE A 60 5.990 9.550 -5.916 1.00 0.00 N ATOM 946 CA ILE A 60 7.263 9.204 -6.452 1.00 0.00 C ATOM 947 C ILE A 60 6.959 8.587 -7.806 1.00 0.00 C ATOM 948 O ILE A 60 5.796 8.307 -8.066 1.00 0.00 O ATOM 949 CB ILE A 60 7.996 8.194 -5.520 1.00 0.00 C ATOM 950 CG1 ILE A 60 9.458 8.086 -5.897 1.00 0.00 C ATOM 951 CG2 ILE A 60 7.335 6.819 -5.570 1.00 0.00 C ATOM 952 CD1 ILE A 60 10.276 7.220 -4.958 1.00 0.00 C ATOM 0 H ILE A 60 5.217 9.032 -6.333 1.00 0.00 H new ATOM 0 HA ILE A 60 7.925 10.066 -6.540 1.00 0.00 H new ATOM 0 HB ILE A 60 7.924 8.569 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.533 7.681 -6.906 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.891 9.086 -5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.868 6.135 -4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.298 6.902 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.367 6.437 -6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 60 11.312 7.194 -5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.234 7.635 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.871 6.208 -4.951 1.00 0.00 H new ATOM 964 N GLN A 61 7.934 8.440 -8.672 1.00 0.00 N ATOM 965 CA GLN A 61 7.705 7.812 -9.974 1.00 0.00 C ATOM 966 C GLN A 61 8.682 6.647 -10.186 1.00 0.00 C ATOM 967 O GLN A 61 8.935 6.236 -11.312 1.00 0.00 O ATOM 968 CB GLN A 61 7.857 8.839 -11.119 1.00 0.00 C ATOM 969 CG GLN A 61 6.840 9.996 -11.131 1.00 0.00 C ATOM 970 CD GLN A 61 5.386 9.572 -11.420 1.00 0.00 C ATOM 971 OE1 GLN A 61 4.943 9.514 -12.574 1.00 0.00 O ATOM 972 NE2 GLN A 61 4.640 9.286 -10.392 1.00 0.00 N ATOM 0 H GLN A 61 8.895 8.742 -8.509 1.00 0.00 H new ATOM 0 HA GLN A 61 6.685 7.429 -9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.859 9.264 -11.068 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.784 8.308 -12.068 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.872 10.500 -10.165 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.148 10.725 -11.881 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.027 9.341 -9.450 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.668 9.007 -10.529 1.00 0.00 H new ATOM 981 N SER A 62 9.217 6.105 -9.106 1.00 0.00 N ATOM 982 CA SER A 62 10.177 5.007 -9.183 1.00 0.00 C ATOM 983 C SER A 62 10.102 4.152 -7.909 1.00 0.00 C ATOM 984 O SER A 62 9.820 4.677 -6.843 1.00 0.00 O ATOM 985 CB SER A 62 11.597 5.569 -9.361 1.00 0.00 C ATOM 986 OG SER A 62 11.677 6.388 -10.521 1.00 0.00 O ATOM 0 H SER A 62 9.003 6.408 -8.156 1.00 0.00 H new ATOM 0 HA SER A 62 9.934 4.380 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.876 6.149 -8.481 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.310 4.748 -9.440 1.00 0.00 H new ATOM 0 HG SER A 62 12.588 6.736 -10.614 1.00 0.00 H new ATOM 992 N GLY A 63 10.338 2.838 -8.042 1.00 0.00 N ATOM 993 CA GLY A 63 10.290 1.935 -6.885 1.00 0.00 C ATOM 994 C GLY A 63 8.866 1.534 -6.579 1.00 0.00 C ATOM 995 O GLY A 63 8.067 2.376 -6.232 1.00 0.00 O ATOM 0 H GLY A 63 10.561 2.383 -8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.888 1.046 -7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.730 2.425 -6.016 1.00 0.00 H new ATOM 999 N ILE A 64 8.522 0.244 -6.801 1.00 0.00 N ATOM 1000 CA ILE A 64 7.127 -0.280 -6.621 1.00 0.00 C ATOM 1001 C ILE A 64 6.175 0.257 -7.704 1.00 0.00 C ATOM 1002 O ILE A 64 5.120 -0.316 -7.989 1.00 0.00 O ATOM 1003 CB ILE A 64 6.613 -0.020 -5.160 1.00 0.00 C ATOM 1004 CG1 ILE A 64 7.058 -1.115 -4.216 1.00 0.00 C ATOM 1005 CG2 ILE A 64 5.126 0.194 -5.043 1.00 0.00 C ATOM 1006 CD1 ILE A 64 6.337 -2.419 -4.449 1.00 0.00 C ATOM 0 H ILE A 64 9.188 -0.465 -7.107 1.00 0.00 H new ATOM 0 HA ILE A 64 7.148 -1.362 -6.754 1.00 0.00 H new ATOM 0 HB ILE A 64 7.075 0.924 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.130 -1.273 -4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.891 -0.792 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.864 0.366 -3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.835 1.060 -5.637 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.601 -0.689 -5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.698 -3.166 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.266 -2.273 -4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.525 -2.762 -5.467 1.00 0.00 H new ATOM 1018 N PHE A 65 6.604 1.304 -8.314 1.00 0.00 N ATOM 1019 CA PHE A 65 5.932 1.973 -9.343 1.00 0.00 C ATOM 1020 C PHE A 65 5.841 1.065 -10.551 1.00 0.00 C ATOM 1021 O PHE A 65 6.843 0.807 -11.217 1.00 0.00 O ATOM 1022 CB PHE A 65 6.717 3.228 -9.664 1.00 0.00 C ATOM 1023 CG PHE A 65 5.879 4.322 -10.113 1.00 0.00 C ATOM 1024 CD1 PHE A 65 5.211 5.058 -9.176 1.00 0.00 C ATOM 1025 CD2 PHE A 65 5.745 4.630 -11.439 1.00 0.00 C ATOM 1026 CE1 PHE A 65 4.420 6.071 -9.517 1.00 0.00 C ATOM 1027 CE2 PHE A 65 4.945 5.665 -11.817 1.00 0.00 C ATOM 1028 CZ PHE A 65 4.278 6.386 -10.851 1.00 0.00 C ATOM 0 H PHE A 65 7.498 1.737 -8.082 1.00 0.00 H new ATOM 0 HA PHE A 65 4.918 2.242 -9.047 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.269 3.541 -8.778 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.453 3.002 -10.435 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.328 4.811 -8.131 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.273 4.054 -12.184 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.897 6.638 -8.761 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.835 5.918 -12.861 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.638 7.206 -11.142 1.00 0.00 H new ATOM 1038 N GLY A 66 4.670 0.525 -10.769 1.00 0.00 N ATOM 1039 CA GLY A 66 4.470 -0.378 -11.865 1.00 0.00 C ATOM 1040 C GLY A 66 4.426 -1.821 -11.402 1.00 0.00 C ATOM 1041 O GLY A 66 4.251 -2.739 -12.202 1.00 0.00 O ATOM 0 H GLY A 66 3.841 0.697 -10.200 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.539 -0.131 -12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.274 -0.253 -12.591 1.00 0.00 H new ATOM 1045 N LYS A 67 4.566 -2.040 -10.092 1.00 0.00 N ATOM 1046 CA LYS A 67 4.546 -3.396 -9.551 1.00 0.00 C ATOM 1047 C LYS A 67 3.196 -4.103 -9.660 1.00 0.00 C ATOM 1048 O LYS A 67 3.138 -5.349 -9.557 1.00 0.00 O ATOM 1049 CB LYS A 67 5.070 -3.459 -8.121 1.00 0.00 C ATOM 1050 CG LYS A 67 6.556 -3.764 -8.013 1.00 0.00 C ATOM 1051 CD LYS A 67 6.917 -5.178 -8.540 1.00 0.00 C ATOM 1052 CE LYS A 67 6.365 -6.349 -7.674 1.00 0.00 C ATOM 1053 NZ LYS A 67 4.879 -6.419 -7.610 1.00 0.00 N ATOM 0 H LYS A 67 4.693 -1.305 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 67 5.230 -3.948 -10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.870 -2.506 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.514 -4.221 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.118 -3.017 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.865 -3.679 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.535 -5.282 -9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.002 -5.265 -8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.744 -7.290 -8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.756 -6.252 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.576 -7.413 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.550 -6.000 -6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.472 -5.893 -8.410 1.00 0.00 H new ATOM 1067 N GLY A 68 2.145 -3.357 -9.837 1.00 0.00 N ATOM 1068 CA GLY A 68 0.845 -3.949 -9.953 1.00 0.00 C ATOM 1069 C GLY A 68 -0.049 -3.146 -10.841 1.00 0.00 C ATOM 1070 O GLY A 68 -1.172 -2.869 -10.495 1.00 0.00 O ATOM 0 H GLY A 68 2.162 -2.339 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.939 -4.960 -10.349 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.394 -4.035 -8.964 1.00 0.00 H new ATOM 1074 N SER A 69 0.446 -2.810 -12.007 1.00 0.00 N ATOM 1075 CA SER A 69 -0.277 -1.992 -12.979 1.00 0.00 C ATOM 1076 C SER A 69 -1.460 -2.737 -13.619 1.00 0.00 C ATOM 1077 O SER A 69 -2.146 -2.195 -14.476 1.00 0.00 O ATOM 1078 CB SER A 69 0.693 -1.548 -14.054 1.00 0.00 C ATOM 1079 OG SER A 69 1.823 -0.951 -13.459 1.00 0.00 O ATOM 0 H SER A 69 1.373 -3.095 -12.322 1.00 0.00 H new ATOM 0 HA SER A 69 -0.695 -1.134 -12.452 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.997 -2.403 -14.658 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.207 -0.840 -14.725 1.00 0.00 H new ATOM 0 HG SER A 69 1.577 -0.075 -13.095 1.00 0.00 H new ATOM 1085 N ALA A 70 -1.679 -3.970 -13.216 1.00 0.00 N ATOM 1086 CA ALA A 70 -2.783 -4.728 -13.741 1.00 0.00 C ATOM 1087 C ALA A 70 -3.931 -4.723 -12.766 1.00 0.00 C ATOM 1088 O ALA A 70 -5.018 -5.202 -13.066 1.00 0.00 O ATOM 1089 CB ALA A 70 -2.362 -6.138 -14.123 1.00 0.00 C ATOM 0 H ALA A 70 -1.108 -4.463 -12.530 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.123 -4.249 -14.659 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.222 -6.681 -14.516 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.584 -6.092 -14.885 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.978 -6.654 -13.243 1.00 0.00 H new ATOM 1095 N TYR A 71 -3.685 -4.149 -11.617 1.00 0.00 N ATOM 1096 CA TYR A 71 -4.698 -4.018 -10.619 1.00 0.00 C ATOM 1097 C TYR A 71 -5.583 -2.862 -10.924 1.00 0.00 C ATOM 1098 O TYR A 71 -5.136 -1.837 -11.441 1.00 0.00 O ATOM 1099 CB TYR A 71 -4.100 -3.783 -9.229 1.00 0.00 C ATOM 1100 CG TYR A 71 -3.673 -5.012 -8.470 1.00 0.00 C ATOM 1101 CD1 TYR A 71 -2.424 -5.585 -8.649 1.00 0.00 C ATOM 1102 CD2 TYR A 71 -4.529 -5.586 -7.544 1.00 0.00 C ATOM 1103 CE1 TYR A 71 -2.044 -6.703 -7.923 1.00 0.00 C ATOM 1104 CE2 TYR A 71 -4.160 -6.696 -6.822 1.00 0.00 C ATOM 1105 CZ TYR A 71 -2.920 -7.252 -7.013 1.00 0.00 C ATOM 1106 OH TYR A 71 -2.559 -8.365 -6.284 1.00 0.00 O ATOM 0 H TYR A 71 -2.778 -3.763 -11.354 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.260 -4.952 -10.623 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.235 -3.128 -9.335 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.834 -3.247 -8.627 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.738 -5.155 -9.363 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.506 -5.153 -7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.068 -7.141 -8.070 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.844 -7.129 -6.107 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.295 -8.619 -5.689 1.00 0.00 H new ATOM 1116 N SER A 72 -6.822 -3.018 -10.626 1.00 0.00 N ATOM 1117 CA SER A 72 -7.688 -1.920 -10.620 1.00 0.00 C ATOM 1118 C SER A 72 -7.349 -1.229 -9.319 1.00 0.00 C ATOM 1119 O SER A 72 -7.184 -1.915 -8.293 1.00 0.00 O ATOM 1120 CB SER A 72 -9.147 -2.384 -10.644 1.00 0.00 C ATOM 1121 OG SER A 72 -10.049 -1.278 -10.710 1.00 0.00 O ATOM 0 H SER A 72 -7.253 -3.910 -10.382 1.00 0.00 H new ATOM 0 HA SER A 72 -7.575 -1.269 -11.487 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.308 -3.037 -11.502 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.357 -2.973 -9.751 1.00 0.00 H new ATOM 0 HG SER A 72 -10.971 -1.609 -10.726 1.00 0.00 H new ATOM 1127 N ARG A 73 -7.199 0.096 -9.337 1.00 0.00 N ATOM 1128 CA ARG A 73 -6.722 0.810 -8.148 1.00 0.00 C ATOM 1129 C ARG A 73 -7.520 0.471 -6.914 1.00 0.00 C ATOM 1130 O ARG A 73 -6.960 0.240 -5.876 1.00 0.00 O ATOM 1131 CB ARG A 73 -6.653 2.334 -8.323 1.00 0.00 C ATOM 1132 CG ARG A 73 -7.990 3.060 -8.436 1.00 0.00 C ATOM 1133 CD ARG A 73 -7.791 4.548 -8.213 1.00 0.00 C ATOM 1134 NE ARG A 73 -7.207 4.805 -6.883 1.00 0.00 N ATOM 1135 CZ ARG A 73 -6.066 5.471 -6.642 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -5.383 6.046 -7.647 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -5.633 5.555 -5.397 1.00 0.00 N ATOM 0 H ARG A 73 -7.396 0.689 -10.144 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.700 0.455 -8.014 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.107 2.752 -7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.069 2.550 -9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.426 2.886 -9.420 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.692 2.664 -7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.138 4.952 -8.986 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.747 5.065 -8.301 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.715 4.445 -6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.730 5.979 -8.604 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.517 6.550 -7.453 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.163 5.119 -4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.769 6.056 -5.190 1.00 0.00 H new ATOM 1151 N HIS A 74 -8.815 0.323 -7.079 1.00 0.00 N ATOM 1152 CA HIS A 74 -9.696 0.092 -5.960 1.00 0.00 C ATOM 1153 C HIS A 74 -9.503 -1.312 -5.374 1.00 0.00 C ATOM 1154 O HIS A 74 -9.782 -1.553 -4.193 1.00 0.00 O ATOM 1155 CB HIS A 74 -11.147 0.328 -6.371 1.00 0.00 C ATOM 1156 CG HIS A 74 -12.096 0.334 -5.221 1.00 0.00 C ATOM 1157 ND1 HIS A 74 -13.060 -0.637 -5.028 1.00 0.00 N ATOM 1158 CD2 HIS A 74 -12.245 1.219 -4.207 1.00 0.00 C ATOM 1159 CE1 HIS A 74 -13.757 -0.348 -3.950 1.00 0.00 C ATOM 1160 NE2 HIS A 74 -13.286 0.771 -3.430 1.00 0.00 N ATOM 0 H HIS A 74 -9.283 0.359 -7.985 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.442 0.804 -5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.218 1.281 -6.895 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -11.448 -0.447 -7.076 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.657 2.109 -4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -14.578 -0.929 -3.556 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.638 1.228 -2.589 1.00 0.00 H new ATOM 1169 N ASN A 75 -9.011 -2.221 -6.183 1.00 0.00 N ATOM 1170 CA ASN A 75 -8.772 -3.575 -5.727 1.00 0.00 C ATOM 1171 C ASN A 75 -7.457 -3.607 -5.002 1.00 0.00 C ATOM 1172 O ASN A 75 -7.321 -4.254 -3.965 1.00 0.00 O ATOM 1173 CB ASN A 75 -8.788 -4.594 -6.872 1.00 0.00 C ATOM 1174 CG ASN A 75 -10.122 -4.657 -7.600 1.00 0.00 C ATOM 1175 OD1 ASN A 75 -11.182 -4.346 -7.032 1.00 0.00 O ATOM 1176 ND2 ASN A 75 -10.090 -5.060 -8.838 1.00 0.00 N ATOM 0 H ASN A 75 -8.768 -2.051 -7.159 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.582 -3.863 -5.057 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.004 -4.341 -7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.551 -5.581 -6.475 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.955 -5.129 -9.375 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.200 -5.307 -9.271 1.00 0.00 H new ATOM 1183 N ALA A 76 -6.490 -2.852 -5.518 1.00 0.00 N ATOM 1184 CA ALA A 76 -5.211 -2.695 -4.855 1.00 0.00 C ATOM 1185 C ALA A 76 -5.430 -2.007 -3.507 1.00 0.00 C ATOM 1186 O ALA A 76 -4.841 -2.394 -2.503 1.00 0.00 O ATOM 1187 CB ALA A 76 -4.255 -1.901 -5.722 1.00 0.00 C ATOM 0 H ALA A 76 -6.575 -2.340 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.764 -3.675 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.300 -1.794 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.101 -2.423 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.675 -0.914 -5.917 1.00 0.00 H new ATOM 1193 N GLU A 77 -6.323 -1.015 -3.489 1.00 0.00 N ATOM 1194 CA GLU A 77 -6.724 -0.332 -2.259 1.00 0.00 C ATOM 1195 C GLU A 77 -7.296 -1.344 -1.264 1.00 0.00 C ATOM 1196 O GLU A 77 -6.981 -1.308 -0.079 1.00 0.00 O ATOM 1197 CB GLU A 77 -7.741 0.804 -2.564 1.00 0.00 C ATOM 1198 CG GLU A 77 -7.143 1.919 -3.423 1.00 0.00 C ATOM 1199 CD GLU A 77 -8.126 2.945 -3.953 1.00 0.00 C ATOM 1200 OE1 GLU A 77 -9.285 2.579 -4.260 1.00 0.00 O ATOM 1201 OE2 GLU A 77 -7.705 4.125 -4.159 1.00 0.00 O ATOM 0 H GLU A 77 -6.788 -0.664 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.846 0.131 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.607 0.383 -3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.099 1.227 -1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.387 2.439 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.630 1.464 -4.270 1.00 0.00 H new ATOM 1208 N ARG A 78 -8.039 -2.323 -1.783 1.00 0.00 N ATOM 1209 CA ARG A 78 -8.663 -3.342 -0.947 1.00 0.00 C ATOM 1210 C ARG A 78 -7.640 -4.298 -0.391 1.00 0.00 C ATOM 1211 O ARG A 78 -7.862 -4.925 0.641 1.00 0.00 O ATOM 1212 CB ARG A 78 -9.748 -4.115 -1.702 1.00 0.00 C ATOM 1213 CG ARG A 78 -11.084 -3.395 -1.814 1.00 0.00 C ATOM 1214 CD ARG A 78 -11.717 -3.197 -0.435 1.00 0.00 C ATOM 1215 NE ARG A 78 -11.849 -4.479 0.295 1.00 0.00 N ATOM 1216 CZ ARG A 78 -12.363 -4.637 1.532 1.00 0.00 C ATOM 1217 NH1 ARG A 78 -12.904 -3.596 2.180 1.00 0.00 N ATOM 1218 NH2 ARG A 78 -12.350 -5.845 2.108 1.00 0.00 N ATOM 0 H ARG A 78 -8.222 -2.429 -2.781 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.137 -2.818 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.385 -4.336 -2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.907 -5.071 -1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.941 -2.427 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.759 -3.969 -2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.109 -2.506 0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.700 -2.739 -0.548 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.521 -5.319 -0.181 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.929 -2.677 1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.291 -3.723 3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.952 -6.642 1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.738 -5.968 3.043 1.00 0.00 H new ATOM 1232 N LEU A 79 -6.529 -4.388 -1.055 1.00 0.00 N ATOM 1233 CA LEU A 79 -5.462 -5.242 -0.638 1.00 0.00 C ATOM 1234 C LEU A 79 -4.749 -4.614 0.507 1.00 0.00 C ATOM 1235 O LEU A 79 -4.457 -5.271 1.490 1.00 0.00 O ATOM 1236 CB LEU A 79 -4.521 -5.445 -1.768 1.00 0.00 C ATOM 1237 CG LEU A 79 -3.483 -6.527 -1.612 1.00 0.00 C ATOM 1238 CD1 LEU A 79 -2.931 -6.732 -2.902 1.00 0.00 C ATOM 1239 CD2 LEU A 79 -2.340 -6.165 -0.721 1.00 0.00 C ATOM 0 H LEU A 79 -6.336 -3.865 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.862 -6.207 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.107 -5.665 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.003 -4.503 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.977 -7.392 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.169 -7.509 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.718 -7.040 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.481 -5.805 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.642 -7.001 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.828 -5.291 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.714 -5.939 0.277 1.00 0.00 H new ATOM 1251 N PHE A 80 -4.465 -3.331 0.392 1.00 0.00 N ATOM 1252 CA PHE A 80 -3.843 -2.614 1.487 1.00 0.00 C ATOM 1253 C PHE A 80 -4.781 -2.594 2.671 1.00 0.00 C ATOM 1254 O PHE A 80 -4.362 -2.461 3.818 1.00 0.00 O ATOM 1255 CB PHE A 80 -3.397 -1.205 1.077 1.00 0.00 C ATOM 1256 CG PHE A 80 -2.212 -1.200 0.141 1.00 0.00 C ATOM 1257 CD1 PHE A 80 -0.924 -1.185 0.643 1.00 0.00 C ATOM 1258 CD2 PHE A 80 -2.380 -1.211 -1.225 1.00 0.00 C ATOM 1259 CE1 PHE A 80 0.168 -1.181 -0.200 1.00 0.00 C ATOM 1260 CE2 PHE A 80 -1.294 -1.207 -2.080 1.00 0.00 C ATOM 1261 CZ PHE A 80 -0.019 -1.190 -1.567 1.00 0.00 C ATOM 0 H PHE A 80 -4.653 -2.769 -0.439 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.932 -3.139 1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.231 -0.693 0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.146 -0.636 1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.770 -1.176 1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.379 -1.223 -1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.167 -1.171 0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.447 -1.217 -3.149 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.833 -1.184 -2.231 1.00 0.00 H new ATOM 1271 N LYS A 81 -6.053 -2.832 2.385 1.00 0.00 N ATOM 1272 CA LYS A 81 -7.029 -2.920 3.457 1.00 0.00 C ATOM 1273 C LYS A 81 -6.971 -4.297 4.076 1.00 0.00 C ATOM 1274 O LYS A 81 -7.240 -4.479 5.268 1.00 0.00 O ATOM 1275 CB LYS A 81 -8.458 -2.618 3.020 1.00 0.00 C ATOM 1276 CG LYS A 81 -8.641 -1.258 2.394 1.00 0.00 C ATOM 1277 CD LYS A 81 -8.092 -0.096 3.224 1.00 0.00 C ATOM 1278 CE LYS A 81 -8.836 0.144 4.523 1.00 0.00 C ATOM 1279 NZ LYS A 81 -8.334 1.364 5.177 1.00 0.00 N ATOM 0 H LYS A 81 -6.425 -2.964 1.445 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.762 -2.151 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.776 -3.379 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.115 -2.698 3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.154 -1.253 1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.704 -1.093 2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.043 -0.288 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.128 0.813 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.904 0.241 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.710 -0.712 5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.613 1.361 6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.297 1.394 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.737 2.200 4.708 1.00 0.00 H new ATOM 1293 N LYS A 82 -6.578 -5.275 3.275 1.00 0.00 N ATOM 1294 CA LYS A 82 -6.472 -6.608 3.767 1.00 0.00 C ATOM 1295 C LYS A 82 -5.239 -6.675 4.626 1.00 0.00 C ATOM 1296 O LYS A 82 -5.272 -7.192 5.701 1.00 0.00 O ATOM 1297 CB LYS A 82 -6.373 -7.610 2.626 1.00 0.00 C ATOM 1298 CG LYS A 82 -6.372 -9.049 3.091 1.00 0.00 C ATOM 1299 CD LYS A 82 -6.106 -9.984 1.945 1.00 0.00 C ATOM 1300 CE LYS A 82 -6.104 -11.431 2.393 1.00 0.00 C ATOM 1301 NZ LYS A 82 -5.086 -11.730 3.433 1.00 0.00 N ATOM 0 H LYS A 82 -6.333 -5.156 2.292 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.362 -6.863 4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.209 -7.457 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.461 -7.418 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.612 -9.186 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.333 -9.289 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.865 -9.842 1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.144 -9.741 1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.091 -11.684 2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.926 -12.070 1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.665 -12.663 3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.342 -11.004 3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.537 -11.733 4.370 1.00 0.00 H new ATOM 1315 N LEU A 83 -4.172 -6.065 4.145 1.00 0.00 N ATOM 1316 CA LEU A 83 -2.917 -6.008 4.861 1.00 0.00 C ATOM 1317 C LEU A 83 -3.027 -5.355 6.219 1.00 0.00 C ATOM 1318 O LEU A 83 -2.322 -5.752 7.147 1.00 0.00 O ATOM 1319 CB LEU A 83 -1.905 -5.298 4.055 1.00 0.00 C ATOM 1320 CG LEU A 83 -1.570 -5.975 2.770 1.00 0.00 C ATOM 1321 CD1 LEU A 83 -0.651 -5.124 1.994 1.00 0.00 C ATOM 1322 CD2 LEU A 83 -0.964 -7.350 2.996 1.00 0.00 C ATOM 0 H LEU A 83 -4.154 -5.593 3.241 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.615 -7.042 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.266 -4.292 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.995 -5.191 4.645 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.493 -6.122 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.405 -5.617 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.129 -4.167 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.262 -4.958 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.735 -7.809 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.048 -7.253 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.674 -7.976 3.537 1.00 0.00 H new ATOM 1334 N ILE A 84 -3.885 -4.340 6.351 1.00 0.00 N ATOM 1335 CA ILE A 84 -4.072 -3.712 7.646 1.00 0.00 C ATOM 1336 C ILE A 84 -4.900 -4.601 8.573 1.00 0.00 C ATOM 1337 O ILE A 84 -4.792 -4.511 9.800 1.00 0.00 O ATOM 1338 CB ILE A 84 -4.621 -2.235 7.566 1.00 0.00 C ATOM 1339 CG1 ILE A 84 -6.022 -2.106 6.923 1.00 0.00 C ATOM 1340 CG2 ILE A 84 -3.638 -1.337 6.846 1.00 0.00 C ATOM 1341 CD1 ILE A 84 -7.194 -2.410 7.845 1.00 0.00 C ATOM 0 H ILE A 84 -4.445 -3.949 5.594 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.079 -3.610 8.085 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.734 -1.915 8.602 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.136 -1.091 6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.073 -2.777 6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.036 -0.323 6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.690 -1.331 7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.479 -1.709 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.129 -2.290 7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.115 -3.435 8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.179 -1.723 8.691 1.00 0.00 H new ATOM 1353 N LEU A 85 -5.734 -5.446 7.976 1.00 0.00 N ATOM 1354 CA LEU A 85 -6.511 -6.417 8.700 1.00 0.00 C ATOM 1355 C LEU A 85 -5.589 -7.596 9.102 1.00 0.00 C ATOM 1356 O LEU A 85 -5.599 -8.044 10.251 1.00 0.00 O ATOM 1357 CB LEU A 85 -7.662 -6.883 7.784 1.00 0.00 C ATOM 1358 CG LEU A 85 -8.882 -7.524 8.447 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -10.011 -7.661 7.436 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -8.573 -8.888 9.055 1.00 0.00 C ATOM 0 H LEU A 85 -5.883 -5.468 6.967 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.934 -5.995 9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.005 -6.021 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.254 -7.598 7.070 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.183 -6.865 9.262 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.876 -8.118 7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.284 -6.675 7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.683 -8.288 6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.475 -9.296 9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.224 -9.564 8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.799 -8.781 9.815 1.00 0.00 H new ATOM 1372 N ASP A 86 -4.773 -8.052 8.145 1.00 0.00 N ATOM 1373 CA ASP A 86 -3.829 -9.166 8.344 1.00 0.00 C ATOM 1374 C ASP A 86 -2.753 -8.763 9.345 1.00 0.00 C ATOM 1375 O ASP A 86 -2.208 -9.622 10.087 1.00 0.00 O ATOM 1376 CB ASP A 86 -3.106 -9.585 7.036 1.00 0.00 C ATOM 1377 CG ASP A 86 -3.966 -10.104 5.884 1.00 0.00 C ATOM 1378 OD1 ASP A 86 -4.824 -10.983 6.079 1.00 0.00 O ATOM 1379 OD2 ASP A 86 -3.724 -9.691 4.731 1.00 0.00 O ATOM 0 H ASP A 86 -4.746 -7.659 7.204 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.424 -10.006 8.703 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.543 -8.725 6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.380 -10.358 7.287 1.00 0.00 H new ATOM 1384 N LYS A 87 -2.452 -7.440 9.375 1.00 0.00 N ATOM 1385 CA LYS A 87 -1.468 -6.820 10.256 1.00 0.00 C ATOM 1386 C LYS A 87 -0.092 -6.861 9.719 1.00 0.00 C ATOM 1387 O LYS A 87 0.881 -6.752 10.453 1.00 0.00 O ATOM 1388 CB LYS A 87 -1.499 -7.314 11.679 1.00 0.00 C ATOM 1389 CG LYS A 87 -2.304 -6.413 12.572 1.00 0.00 C ATOM 1390 CD LYS A 87 -3.792 -6.469 12.290 1.00 0.00 C ATOM 1391 CE LYS A 87 -4.518 -5.323 12.975 1.00 0.00 C ATOM 1392 NZ LYS A 87 -4.078 -4.026 12.432 1.00 0.00 N ATOM 0 H LYS A 87 -2.910 -6.766 8.761 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.784 -5.777 10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.920 -8.319 11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.480 -7.385 12.060 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.127 -6.690 13.611 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.956 -5.387 12.451 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.964 -6.423 11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.196 -7.420 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.594 -5.434 12.837 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.329 -5.356 14.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.821 -3.315 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.207 -3.726 12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.895 -4.121 11.413 1.00 0.00 H new ATOM 1406 N ILE A 88 -0.004 -7.014 8.430 1.00 0.00 N ATOM 1407 CA ILE A 88 1.219 -6.755 7.731 1.00 0.00 C ATOM 1408 C ILE A 88 1.407 -5.255 7.823 1.00 0.00 C ATOM 1409 O ILE A 88 2.492 -4.744 8.113 1.00 0.00 O ATOM 1410 CB ILE A 88 1.123 -7.202 6.242 1.00 0.00 C ATOM 1411 CG1 ILE A 88 1.318 -8.717 6.083 1.00 0.00 C ATOM 1412 CG2 ILE A 88 2.106 -6.447 5.341 1.00 0.00 C ATOM 1413 CD1 ILE A 88 0.233 -9.574 6.656 1.00 0.00 C ATOM 0 H ILE A 88 -0.775 -7.321 7.836 1.00 0.00 H new ATOM 0 HA ILE A 88 2.055 -7.307 8.161 1.00 0.00 H new ATOM 0 HB ILE A 88 0.113 -6.950 5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.412 -8.943 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.262 -8.995 6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.999 -6.795 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.894 -5.379 5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.125 -6.629 5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.472 -10.624 6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.149 -9.388 7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.714 -9.335 6.171 1.00 0.00 H new ATOM 1425 N LEU A 89 0.308 -4.572 7.632 1.00 0.00 N ATOM 1426 CA LEU A 89 0.249 -3.165 7.795 1.00 0.00 C ATOM 1427 C LEU A 89 -0.645 -2.843 8.944 1.00 0.00 C ATOM 1428 O LEU A 89 -1.439 -3.682 9.387 1.00 0.00 O ATOM 1429 CB LEU A 89 -0.361 -2.522 6.590 1.00 0.00 C ATOM 1430 CG LEU A 89 0.318 -2.717 5.281 1.00 0.00 C ATOM 1431 CD1 LEU A 89 -0.498 -2.020 4.238 1.00 0.00 C ATOM 1432 CD2 LEU A 89 1.726 -2.173 5.337 1.00 0.00 C ATOM 0 H LEU A 89 -0.578 -4.995 7.355 1.00 0.00 H new ATOM 0 HA LEU A 89 1.264 -2.801 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.383 -2.890 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.424 -1.450 6.778 1.00 0.00 H new ATOM 0 HG LEU A 89 0.395 -3.777 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.026 -2.144 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.500 -2.449 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.564 -0.958 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.212 -2.322 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.696 -1.108 5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.288 -2.696 6.111 1.00 0.00 H new ATOM 1444 N ASP A 90 -0.537 -1.646 9.393 1.00 0.00 N ATOM 1445 CA ASP A 90 -1.413 -1.108 10.387 1.00 0.00 C ATOM 1446 C ASP A 90 -1.619 0.331 10.063 1.00 0.00 C ATOM 1447 O ASP A 90 -0.660 1.087 9.968 1.00 0.00 O ATOM 1448 CB ASP A 90 -0.875 -1.284 11.810 1.00 0.00 C ATOM 1449 CG ASP A 90 -1.790 -2.170 12.627 1.00 0.00 C ATOM 1450 OD1 ASP A 90 -2.884 -1.722 13.026 1.00 0.00 O ATOM 1451 OD2 ASP A 90 -1.488 -3.381 12.805 1.00 0.00 O ATOM 0 H ASP A 90 0.178 -0.991 9.076 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.358 -1.652 10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.123 -1.720 11.774 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.781 -0.310 12.291 1.00 0.00 H new ATOM 1456 N GLU A 91 -2.826 0.696 9.788 1.00 0.00 N ATOM 1457 CA GLU A 91 -3.123 2.056 9.441 1.00 0.00 C ATOM 1458 C GLU A 91 -3.578 2.871 10.633 1.00 0.00 C ATOM 1459 O GLU A 91 -4.255 2.373 11.536 1.00 0.00 O ATOM 1460 CB GLU A 91 -4.143 2.143 8.305 1.00 0.00 C ATOM 1461 CG GLU A 91 -5.459 1.441 8.578 1.00 0.00 C ATOM 1462 CD GLU A 91 -6.402 1.555 7.419 1.00 0.00 C ATOM 1463 OE1 GLU A 91 -6.003 1.233 6.270 1.00 0.00 O ATOM 1464 OE2 GLU A 91 -7.572 1.972 7.604 1.00 0.00 O ATOM 0 H GLU A 91 -3.632 0.071 9.795 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.187 2.490 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.344 3.194 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.700 1.718 7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.272 0.389 8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.922 1.870 9.467 1.00 0.00 H new ATOM 1471 N ASP A 92 -3.180 4.106 10.616 1.00 0.00 N ATOM 1472 CA ASP A 92 -3.519 5.077 11.629 1.00 0.00 C ATOM 1473 C ASP A 92 -4.649 5.939 11.126 1.00 0.00 C ATOM 1474 O ASP A 92 -4.623 6.394 9.971 1.00 0.00 O ATOM 1475 CB ASP A 92 -2.301 5.946 11.959 1.00 0.00 C ATOM 1476 CG ASP A 92 -2.640 7.130 12.850 1.00 0.00 C ATOM 1477 OD1 ASP A 92 -3.064 6.909 13.998 1.00 0.00 O ATOM 1478 OD2 ASP A 92 -2.460 8.282 12.395 1.00 0.00 O ATOM 0 H ASP A 92 -2.590 4.485 9.875 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.829 4.561 12.537 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.546 5.332 12.451 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.860 6.311 11.031 1.00 0.00 H new ATOM 1483 N LEU A 93 -5.639 6.138 11.952 1.00 0.00 N ATOM 1484 CA LEU A 93 -6.780 6.928 11.586 1.00 0.00 C ATOM 1485 C LEU A 93 -6.709 8.260 12.279 1.00 0.00 C ATOM 1486 O LEU A 93 -6.989 8.382 13.472 1.00 0.00 O ATOM 1487 CB LEU A 93 -8.096 6.216 11.893 1.00 0.00 C ATOM 1488 CG LEU A 93 -8.353 4.908 11.130 1.00 0.00 C ATOM 1489 CD1 LEU A 93 -9.657 4.278 11.583 1.00 0.00 C ATOM 1490 CD2 LEU A 93 -8.383 5.158 9.623 1.00 0.00 C ATOM 0 H LEU A 93 -5.677 5.757 12.897 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.757 7.081 10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.129 6.002 12.961 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.915 6.903 11.681 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.537 4.220 11.349 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.824 3.352 11.033 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.605 4.062 12.650 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.480 4.967 11.392 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.566 4.218 9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.178 5.865 9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.426 5.569 9.303 1.00 0.00 H new ATOM 1502 N TYR A 94 -6.383 9.238 11.520 1.00 0.00 N ATOM 1503 CA TYR A 94 -6.110 10.537 12.000 1.00 0.00 C ATOM 1504 C TYR A 94 -7.032 11.506 11.336 1.00 0.00 C ATOM 1505 O TYR A 94 -7.276 11.426 10.135 1.00 0.00 O ATOM 1506 CB TYR A 94 -4.649 10.878 11.675 1.00 0.00 C ATOM 1507 CG TYR A 94 -4.249 12.327 11.881 1.00 0.00 C ATOM 1508 CD1 TYR A 94 -3.805 12.785 13.111 1.00 0.00 C ATOM 1509 CD2 TYR A 94 -4.311 13.232 10.823 1.00 0.00 C ATOM 1510 CE1 TYR A 94 -3.436 14.106 13.286 1.00 0.00 C ATOM 1511 CE2 TYR A 94 -3.944 14.549 10.990 1.00 0.00 C ATOM 1512 CZ TYR A 94 -3.509 14.981 12.222 1.00 0.00 C ATOM 1513 OH TYR A 94 -3.134 16.296 12.388 1.00 0.00 O ATOM 0 H TYR A 94 -6.296 9.151 10.507 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.262 10.590 13.078 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.004 10.251 12.290 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.456 10.611 10.636 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.746 12.101 13.945 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.653 12.895 9.856 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.093 14.451 14.250 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.997 15.238 10.160 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.245 16.777 11.541 1.00 0.00 H new ATOM 1523 N ILE A 95 -7.576 12.379 12.093 1.00 0.00 N ATOM 1524 CA ILE A 95 -8.363 13.399 11.563 1.00 0.00 C ATOM 1525 C ILE A 95 -7.884 14.707 12.178 1.00 0.00 C ATOM 1526 O ILE A 95 -7.460 14.738 13.338 1.00 0.00 O ATOM 1527 CB ILE A 95 -9.863 13.129 11.852 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -10.746 14.031 11.060 1.00 0.00 C ATOM 1529 CG2 ILE A 95 -10.179 13.298 13.304 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -12.192 13.701 11.220 1.00 0.00 C ATOM 0 H ILE A 95 -7.481 12.398 13.108 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.265 13.452 10.479 1.00 0.00 H new ATOM 0 HB ILE A 95 -10.052 12.096 11.559 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.576 15.063 11.368 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.476 13.965 10.006 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.238 13.101 13.471 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.583 12.598 13.890 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.946 14.318 13.611 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.790 14.388 10.622 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.371 12.679 10.886 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.473 13.794 12.269 1.00 0.00 H new ATOM 1542 N ASN A 96 -7.851 15.738 11.406 1.00 0.00 N ATOM 1543 CA ASN A 96 -7.474 17.034 11.928 1.00 0.00 C ATOM 1544 C ASN A 96 -8.717 17.818 12.277 1.00 0.00 C ATOM 1545 O ASN A 96 -9.816 17.388 11.946 1.00 0.00 O ATOM 1546 CB ASN A 96 -6.492 17.802 10.995 1.00 0.00 C ATOM 1547 CG ASN A 96 -6.943 17.929 9.546 1.00 0.00 C ATOM 1548 OD1 ASN A 96 -6.695 17.045 8.744 1.00 0.00 O ATOM 1549 ND2 ASN A 96 -7.519 19.039 9.177 1.00 0.00 N ATOM 0 H ASN A 96 -8.077 15.724 10.412 1.00 0.00 H new ATOM 0 HA ASN A 96 -6.904 16.887 12.845 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -6.338 18.802 11.400 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -5.526 17.297 11.016 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -7.772 19.182 8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -7.717 19.765 9.866 1.00 0.00 H new ATOM 1556 N ALA A 97 -8.553 18.982 12.910 1.00 0.00 N ATOM 1557 CA ALA A 97 -9.679 19.809 13.449 1.00 0.00 C ATOM 1558 C ALA A 97 -10.605 20.407 12.360 1.00 0.00 C ATOM 1559 O ALA A 97 -11.370 21.316 12.616 1.00 0.00 O ATOM 1560 CB ALA A 97 -9.114 20.918 14.326 1.00 0.00 C ATOM 0 H ALA A 97 -7.635 19.396 13.073 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.308 19.136 14.032 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.931 21.522 14.720 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -8.556 20.479 15.153 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.450 21.548 13.734 1.00 0.00 H new ATOM 1566 N ASN A 98 -10.539 19.858 11.190 1.00 0.00 N ATOM 1567 CA ASN A 98 -11.336 20.289 10.062 1.00 0.00 C ATOM 1568 C ASN A 98 -12.220 19.153 9.630 1.00 0.00 C ATOM 1569 O ASN A 98 -12.869 19.234 8.601 1.00 0.00 O ATOM 1570 CB ASN A 98 -10.428 20.649 8.908 1.00 0.00 C ATOM 1571 CG ASN A 98 -9.508 21.795 9.193 1.00 0.00 C ATOM 1572 OD1 ASN A 98 -8.415 21.609 9.739 1.00 0.00 O ATOM 1573 ND2 ASN A 98 -9.894 22.961 8.811 1.00 0.00 N ATOM 0 H ASN A 98 -9.918 19.078 10.976 1.00 0.00 H new ATOM 0 HA ASN A 98 -11.933 21.154 10.350 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.833 19.776 8.641 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -11.040 20.895 8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.291 23.771 8.955 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.803 23.076 8.364 1.00 0.00 H new ATOM 1580 N ASP A 99 -12.176 18.069 10.419 1.00 0.00 N ATOM 1581 CA ASP A 99 -12.922 16.809 10.169 1.00 0.00 C ATOM 1582 C ASP A 99 -12.378 16.136 8.879 1.00 0.00 C ATOM 1583 O ASP A 99 -13.014 15.335 8.219 1.00 0.00 O ATOM 1584 CB ASP A 99 -14.456 17.057 10.120 1.00 0.00 C ATOM 1585 CG ASP A 99 -15.289 15.776 10.150 1.00 0.00 C ATOM 1586 OD1 ASP A 99 -15.275 15.089 11.202 1.00 0.00 O ATOM 1587 OD2 ASP A 99 -15.963 15.466 9.143 1.00 0.00 O ATOM 0 H ASP A 99 -11.612 18.035 11.268 1.00 0.00 H new ATOM 0 HA ASP A 99 -12.761 16.121 10.999 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -14.740 17.684 10.965 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.696 17.614 9.214 1.00 0.00 H new ATOM 1592 N GLN A 100 -11.125 16.426 8.587 1.00 0.00 N ATOM 1593 CA GLN A 100 -10.453 15.823 7.459 1.00 0.00 C ATOM 1594 C GLN A 100 -9.782 14.557 7.922 1.00 0.00 C ATOM 1595 O GLN A 100 -8.727 14.604 8.576 1.00 0.00 O ATOM 1596 CB GLN A 100 -9.411 16.748 6.864 1.00 0.00 C ATOM 1597 CG GLN A 100 -9.950 18.056 6.321 1.00 0.00 C ATOM 1598 CD GLN A 100 -8.845 18.987 5.845 1.00 0.00 C ATOM 1599 OE1 GLN A 100 -8.977 20.193 5.902 1.00 0.00 O ATOM 1600 NE2 GLN A 100 -7.743 18.434 5.395 1.00 0.00 N ATOM 0 H GLN A 100 -10.552 17.080 9.120 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.194 15.615 6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.665 16.969 7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.897 16.222 6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.629 17.850 5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.533 18.555 7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.660 17.418 5.359 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.969 19.020 5.082 1.00 0.00 H new ATOM 1609 N ALA A 101 -10.420 13.457 7.665 1.00 0.00 N ATOM 1610 CA ALA A 101 -9.923 12.163 8.069 1.00 0.00 C ATOM 1611 C ALA A 101 -8.974 11.612 7.035 1.00 0.00 C ATOM 1612 O ALA A 101 -9.250 11.668 5.837 1.00 0.00 O ATOM 1613 CB ALA A 101 -11.079 11.199 8.299 1.00 0.00 C ATOM 0 H ALA A 101 -11.308 13.424 7.165 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.378 12.281 9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.688 10.228 8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.728 11.590 9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.649 11.088 7.377 1.00 0.00 H new ATOM 1619 N ILE A 102 -7.863 11.110 7.488 1.00 0.00 N ATOM 1620 CA ILE A 102 -6.891 10.529 6.627 1.00 0.00 C ATOM 1621 C ILE A 102 -6.285 9.299 7.324 1.00 0.00 C ATOM 1622 O ILE A 102 -6.160 9.269 8.550 1.00 0.00 O ATOM 1623 CB ILE A 102 -5.804 11.582 6.219 1.00 0.00 C ATOM 1624 CG1 ILE A 102 -4.912 11.070 5.079 1.00 0.00 C ATOM 1625 CG2 ILE A 102 -4.963 11.979 7.411 1.00 0.00 C ATOM 1626 CD1 ILE A 102 -3.923 12.110 4.567 1.00 0.00 C ATOM 0 H ILE A 102 -7.609 11.095 8.476 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.361 10.203 5.699 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.331 12.464 5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.361 10.195 5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.544 10.743 4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.216 12.710 7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.602 12.415 8.178 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.463 11.098 7.813 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.326 11.680 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.468 12.976 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.267 12.419 5.380 1.00 0.00 H new ATOM 1638 N ALA A 103 -5.988 8.282 6.564 1.00 0.00 N ATOM 1639 CA ALA A 103 -5.435 7.061 7.106 1.00 0.00 C ATOM 1640 C ALA A 103 -4.006 6.889 6.647 1.00 0.00 C ATOM 1641 O ALA A 103 -3.740 6.818 5.431 1.00 0.00 O ATOM 1642 CB ALA A 103 -6.271 5.864 6.672 1.00 0.00 C ATOM 0 H ALA A 103 -6.120 8.271 5.553 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.451 7.123 8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.843 4.952 7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.292 5.983 7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.277 5.800 5.584 1.00 0.00 H new ATOM 1648 N TYR A 104 -3.090 6.829 7.583 1.00 0.00 N ATOM 1649 CA TYR A 104 -1.690 6.661 7.254 1.00 0.00 C ATOM 1650 C TYR A 104 -1.326 5.210 7.380 1.00 0.00 C ATOM 1651 O TYR A 104 -1.897 4.502 8.181 1.00 0.00 O ATOM 1652 CB TYR A 104 -0.768 7.464 8.166 1.00 0.00 C ATOM 1653 CG TYR A 104 -1.031 8.940 8.223 1.00 0.00 C ATOM 1654 CD1 TYR A 104 -0.512 9.788 7.264 1.00 0.00 C ATOM 1655 CD2 TYR A 104 -1.776 9.491 9.251 1.00 0.00 C ATOM 1656 CE1 TYR A 104 -0.733 11.141 7.324 1.00 0.00 C ATOM 1657 CE2 TYR A 104 -1.996 10.845 9.317 1.00 0.00 C ATOM 1658 CZ TYR A 104 -1.474 11.665 8.351 1.00 0.00 C ATOM 1659 OH TYR A 104 -1.684 13.022 8.419 1.00 0.00 O ATOM 0 H TYR A 104 -3.287 6.894 8.582 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.556 7.024 6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.845 7.061 9.176 1.00 0.00 H new ATOM 0 HB3 TYR A 104 0.260 7.309 7.839 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.076 9.380 6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.190 8.847 10.012 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.324 11.791 6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.578 11.261 10.126 1.00 0.00 H new ATOM 0 HH TYR A 104 -2.411 13.209 9.049 1.00 0.00 H new ATOM 1669 N VAL A 105 -0.377 4.782 6.612 1.00 0.00 N ATOM 1670 CA VAL A 105 0.028 3.414 6.615 1.00 0.00 C ATOM 1671 C VAL A 105 1.312 3.209 7.348 1.00 0.00 C ATOM 1672 O VAL A 105 2.301 3.904 7.127 1.00 0.00 O ATOM 1673 CB VAL A 105 0.076 2.811 5.192 1.00 0.00 C ATOM 1674 CG1 VAL A 105 0.762 1.447 5.172 1.00 0.00 C ATOM 1675 CG2 VAL A 105 -1.326 2.642 4.741 1.00 0.00 C ATOM 0 H VAL A 105 0.141 5.374 5.962 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.741 2.868 7.161 1.00 0.00 H new ATOM 0 HB VAL A 105 0.645 3.476 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.773 1.060 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.785 1.549 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.217 0.756 5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.337 2.217 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.850 1.973 5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.824 3.611 4.730 1.00 0.00 H new ATOM 1685 N MET A 106 1.263 2.278 8.236 1.00 0.00 N ATOM 1686 CA MET A 106 2.402 1.884 9.029 1.00 0.00 C ATOM 1687 C MET A 106 2.549 0.383 8.913 1.00 0.00 C ATOM 1688 O MET A 106 1.730 -0.277 8.257 1.00 0.00 O ATOM 1689 CB MET A 106 2.233 2.283 10.512 1.00 0.00 C ATOM 1690 CG MET A 106 2.003 3.768 10.756 1.00 0.00 C ATOM 1691 SD MET A 106 1.913 4.178 12.510 1.00 0.00 S ATOM 1692 CE MET A 106 1.511 5.924 12.429 1.00 0.00 C ATOM 0 H MET A 106 0.416 1.750 8.445 1.00 0.00 H new ATOM 0 HA MET A 106 3.291 2.395 8.659 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.393 1.727 10.929 1.00 0.00 H new ATOM 0 HB3 MET A 106 3.123 1.974 11.060 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.810 4.337 10.295 1.00 0.00 H new ATOM 0 HG3 MET A 106 1.078 4.073 10.267 1.00 0.00 H new ATOM 0 HE1 MET A 106 1.369 6.312 13.438 1.00 0.00 H new ATOM 0 HE2 MET A 106 2.325 6.463 11.944 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.594 6.060 11.856 1.00 0.00 H new ATOM 1702 N LEU A 107 3.545 -0.156 9.547 1.00 0.00 N ATOM 1703 CA LEU A 107 3.800 -1.572 9.491 1.00 0.00 C ATOM 1704 C LEU A 107 3.253 -2.228 10.742 1.00 0.00 C ATOM 1705 O LEU A 107 3.404 -1.691 11.837 1.00 0.00 O ATOM 1706 CB LEU A 107 5.309 -1.909 9.277 1.00 0.00 C ATOM 1707 CG LEU A 107 6.351 -1.424 10.325 1.00 0.00 C ATOM 1708 CD1 LEU A 107 7.643 -2.207 10.158 1.00 0.00 C ATOM 1709 CD2 LEU A 107 6.674 0.065 10.165 1.00 0.00 C ATOM 0 H LEU A 107 4.207 0.369 10.119 1.00 0.00 H new ATOM 0 HA LEU A 107 3.286 -1.973 8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.396 -2.993 9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.602 -1.501 8.310 1.00 0.00 H new ATOM 0 HG LEU A 107 5.917 -1.585 11.312 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.372 -1.866 10.893 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.447 -3.269 10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 107 8.038 -2.048 9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.406 0.361 10.917 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.083 0.244 9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.764 0.651 10.294 1.00 0.00 H new ATOM 1721 N GLY A 108 2.618 -3.361 10.575 1.00 0.00 N ATOM 1722 CA GLY A 108 1.972 -4.014 11.683 1.00 0.00 C ATOM 1723 C GLY A 108 2.806 -5.120 12.290 1.00 0.00 C ATOM 1724 O GLY A 108 3.989 -5.286 11.964 1.00 0.00 O ATOM 0 H GLY A 108 2.535 -3.849 9.683 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.746 -3.274 12.451 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.020 -4.427 11.349 1.00 0.00 H new ATOM 1728 N ASN A 109 2.169 -5.931 13.116 1.00 0.00 N ATOM 1729 CA ASN A 109 2.860 -6.988 13.865 1.00 0.00 C ATOM 1730 C ASN A 109 3.243 -8.203 13.022 1.00 0.00 C ATOM 1731 O ASN A 109 3.870 -9.129 13.519 1.00 0.00 O ATOM 1732 CB ASN A 109 2.094 -7.409 15.153 1.00 0.00 C ATOM 1733 CG ASN A 109 0.685 -8.005 14.953 1.00 0.00 C ATOM 1734 OD1 ASN A 109 0.369 -8.681 13.955 1.00 0.00 O ATOM 1735 ND2 ASN A 109 -0.181 -7.755 15.910 1.00 0.00 N ATOM 0 H ASN A 109 1.165 -5.884 13.292 1.00 0.00 H new ATOM 0 HA ASN A 109 3.800 -6.531 14.175 1.00 0.00 H new ATOM 0 HB2 ASN A 109 2.701 -8.140 15.687 1.00 0.00 H new ATOM 0 HB3 ASN A 109 2.006 -6.535 15.799 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.132 -8.117 15.844 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.099 -7.199 16.718 1.00 0.00 H new ATOM 1742 N LYS A 110 2.877 -8.213 11.758 1.00 0.00 N ATOM 1743 CA LYS A 110 3.267 -9.311 10.897 1.00 0.00 C ATOM 1744 C LYS A 110 4.429 -8.903 10.017 1.00 0.00 C ATOM 1745 O LYS A 110 4.987 -9.735 9.328 1.00 0.00 O ATOM 1746 CB LYS A 110 2.125 -9.768 9.983 1.00 0.00 C ATOM 1747 CG LYS A 110 0.844 -10.185 10.659 1.00 0.00 C ATOM 1748 CD LYS A 110 1.036 -11.273 11.685 1.00 0.00 C ATOM 1749 CE LYS A 110 -0.313 -11.737 12.190 1.00 0.00 C ATOM 1750 NZ LYS A 110 -1.174 -10.591 12.569 1.00 0.00 N ATOM 0 H LYS A 110 2.319 -7.487 11.309 1.00 0.00 H new ATOM 0 HA LYS A 110 3.545 -10.134 11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.897 -8.957 9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.482 -10.606 9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.397 -9.316 11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.138 -10.529 9.903 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.579 -12.110 11.245 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.639 -10.903 12.514 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.809 -12.326 11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.175 -12.391 13.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.874 -10.901 13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.587 -9.835 12.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.666 -10.233 11.726 1.00 0.00 H new ATOM 1764 N ALA A 111 4.806 -7.626 10.068 1.00 0.00 N ATOM 1765 CA ALA A 111 5.811 -7.052 9.159 1.00 0.00 C ATOM 1766 C ALA A 111 7.136 -7.811 9.154 1.00 0.00 C ATOM 1767 O ALA A 111 7.698 -8.096 8.089 1.00 0.00 O ATOM 1768 CB ALA A 111 6.041 -5.589 9.474 1.00 0.00 C ATOM 0 H ALA A 111 4.427 -6.957 10.738 1.00 0.00 H new ATOM 0 HA ALA A 111 5.400 -7.149 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.787 -5.183 8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.106 -5.041 9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.395 -5.489 10.500 1.00 0.00 H new ATOM 1774 N GLN A 112 7.617 -8.180 10.325 1.00 0.00 N ATOM 1775 CA GLN A 112 8.891 -8.870 10.409 1.00 0.00 C ATOM 1776 C GLN A 112 8.732 -10.306 9.916 1.00 0.00 C ATOM 1777 O GLN A 112 9.636 -10.887 9.327 1.00 0.00 O ATOM 1778 CB GLN A 112 9.481 -8.774 11.844 1.00 0.00 C ATOM 1779 CG GLN A 112 8.825 -9.640 12.942 1.00 0.00 C ATOM 1780 CD GLN A 112 9.527 -10.988 13.124 1.00 0.00 C ATOM 1781 OE1 GLN A 112 10.459 -11.101 13.898 1.00 0.00 O ATOM 1782 NE2 GLN A 112 9.062 -12.010 12.450 1.00 0.00 N ATOM 0 H GLN A 112 7.154 -8.017 11.219 1.00 0.00 H new ATOM 0 HA GLN A 112 9.616 -8.384 9.756 1.00 0.00 H new ATOM 0 HB2 GLN A 112 10.537 -9.039 11.792 1.00 0.00 H new ATOM 0 HB3 GLN A 112 9.429 -7.732 12.161 1.00 0.00 H new ATOM 0 HG2 GLN A 112 8.840 -9.096 13.886 1.00 0.00 H new ATOM 0 HG3 GLN A 112 7.779 -9.810 12.689 1.00 0.00 H new ATOM 0 HE21 GLN A 112 8.279 -11.884 11.808 1.00 0.00 H new ATOM 0 HE22 GLN A 112 9.483 -12.932 12.567 1.00 0.00 H new ATOM 1791 N THR A 113 7.539 -10.832 10.096 1.00 0.00 N ATOM 1792 CA THR A 113 7.211 -12.170 9.709 1.00 0.00 C ATOM 1793 C THR A 113 7.097 -12.250 8.183 1.00 0.00 C ATOM 1794 O THR A 113 7.317 -13.303 7.594 1.00 0.00 O ATOM 1795 CB THR A 113 5.895 -12.567 10.380 1.00 0.00 C ATOM 1796 OG1 THR A 113 5.946 -12.094 11.737 1.00 0.00 O ATOM 1797 CG2 THR A 113 5.731 -14.077 10.395 1.00 0.00 C ATOM 0 H THR A 113 6.763 -10.326 10.523 1.00 0.00 H new ATOM 0 HA THR A 113 7.992 -12.860 10.027 1.00 0.00 H new ATOM 0 HB THR A 113 5.057 -12.136 9.832 1.00 0.00 H new ATOM 0 HG1 THR A 113 5.114 -12.331 12.198 1.00 0.00 H new ATOM 0 HG21 THR A 113 4.788 -14.336 10.877 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.731 -14.453 9.372 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.556 -14.527 10.947 1.00 0.00 H new ATOM 1805 N VAL A 114 6.771 -11.114 7.557 1.00 0.00 N ATOM 1806 CA VAL A 114 6.734 -11.010 6.102 1.00 0.00 C ATOM 1807 C VAL A 114 8.151 -11.119 5.593 1.00 0.00 C ATOM 1808 O VAL A 114 8.424 -11.836 4.652 1.00 0.00 O ATOM 1809 CB VAL A 114 6.149 -9.658 5.600 1.00 0.00 C ATOM 1810 CG1 VAL A 114 5.980 -9.675 4.088 1.00 0.00 C ATOM 1811 CG2 VAL A 114 4.838 -9.325 6.268 1.00 0.00 C ATOM 0 H VAL A 114 6.528 -10.251 8.043 1.00 0.00 H new ATOM 0 HA VAL A 114 6.088 -11.806 5.732 1.00 0.00 H new ATOM 0 HB VAL A 114 6.863 -8.879 5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.570 -8.721 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 114 6.949 -9.837 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.300 -10.479 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.467 -8.373 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.112 -10.109 6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.987 -9.251 7.345 1.00 0.00 H new ATOM 1821 N LEU A 115 9.056 -10.420 6.263 1.00 0.00 N ATOM 1822 CA LEU A 115 10.478 -10.440 5.916 1.00 0.00 C ATOM 1823 C LEU A 115 11.036 -11.845 6.078 1.00 0.00 C ATOM 1824 O LEU A 115 11.818 -12.310 5.260 1.00 0.00 O ATOM 1825 CB LEU A 115 11.251 -9.459 6.790 1.00 0.00 C ATOM 1826 CG LEU A 115 10.803 -8.006 6.692 1.00 0.00 C ATOM 1827 CD1 LEU A 115 11.556 -7.145 7.692 1.00 0.00 C ATOM 1828 CD2 LEU A 115 11.001 -7.472 5.277 1.00 0.00 C ATOM 0 H LEU A 115 8.831 -9.824 7.060 1.00 0.00 H new ATOM 0 HA LEU A 115 10.588 -10.137 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.166 -9.779 7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.307 -9.515 6.524 1.00 0.00 H new ATOM 0 HG LEU A 115 9.740 -7.963 6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.222 -6.111 7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.362 -7.506 8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 115 12.625 -7.199 7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.674 -6.433 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.056 -7.533 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.414 -8.068 4.578 1.00 0.00 H new ATOM 1840 N ASN A 116 10.603 -12.519 7.130 1.00 0.00 N ATOM 1841 CA ASN A 116 10.981 -13.914 7.365 1.00 0.00 C ATOM 1842 C ASN A 116 10.257 -14.825 6.380 1.00 0.00 C ATOM 1843 O ASN A 116 10.662 -15.955 6.150 1.00 0.00 O ATOM 1844 CB ASN A 116 10.650 -14.360 8.814 1.00 0.00 C ATOM 1845 CG ASN A 116 11.471 -13.687 9.901 1.00 0.00 C ATOM 1846 OD1 ASN A 116 11.000 -13.524 11.012 1.00 0.00 O ATOM 1847 ND2 ASN A 116 12.690 -13.300 9.602 1.00 0.00 N ATOM 0 H ASN A 116 9.986 -12.126 7.841 1.00 0.00 H new ATOM 0 HA ASN A 116 12.059 -13.991 7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 116 9.595 -14.165 9.005 1.00 0.00 H new ATOM 0 HB3 ASN A 116 10.794 -15.438 8.887 1.00 0.00 H new ATOM 0 HD21 ASN A 116 13.270 -12.849 10.310 1.00 0.00 H new ATOM 0 HD22 ASN A 116 13.057 -13.450 8.662 1.00 0.00 H new ATOM 1854 N GLY A 117 9.178 -14.304 5.808 1.00 0.00 N ATOM 1855 CA GLY A 117 8.331 -15.035 4.874 1.00 0.00 C ATOM 1856 C GLY A 117 7.719 -16.259 5.502 1.00 0.00 C ATOM 1857 O GLY A 117 7.432 -17.236 4.844 1.00 0.00 O ATOM 0 H GLY A 117 8.863 -13.350 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 117 7.539 -14.379 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 117 8.920 -15.330 4.006 1.00 0.00 H new ATOM 1861 N ASN A 118 7.492 -16.166 6.797 1.00 0.00 N ATOM 1862 CA ASN A 118 6.794 -17.205 7.578 1.00 0.00 C ATOM 1863 C ASN A 118 5.352 -16.765 7.654 1.00 0.00 C ATOM 1864 O ASN A 118 4.575 -17.161 8.513 1.00 0.00 O ATOM 1865 CB ASN A 118 7.389 -17.331 9.000 1.00 0.00 C ATOM 1866 CG ASN A 118 8.754 -18.034 9.077 1.00 0.00 C ATOM 1867 OD1 ASN A 118 9.074 -18.652 10.076 1.00 0.00 O ATOM 1868 ND2 ASN A 118 9.558 -17.950 8.043 1.00 0.00 N ATOM 0 H ASN A 118 7.784 -15.364 7.356 1.00 0.00 H new ATOM 0 HA ASN A 118 6.898 -18.183 7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.488 -16.332 9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 118 6.682 -17.875 9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 118 10.469 -18.407 8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 118 9.271 -17.427 7.215 1.00 0.00 H new ATOM 1875 N LEU A 119 5.038 -15.953 6.700 1.00 0.00 N ATOM 1876 CA LEU A 119 3.829 -15.301 6.519 1.00 0.00 C ATOM 1877 C LEU A 119 3.578 -15.299 5.035 1.00 0.00 C ATOM 1878 O LEU A 119 4.453 -14.905 4.253 1.00 0.00 O ATOM 1879 CB LEU A 119 3.982 -13.853 7.095 1.00 0.00 C ATOM 1880 CG LEU A 119 2.935 -12.774 6.760 1.00 0.00 C ATOM 1881 CD1 LEU A 119 3.127 -12.270 5.331 1.00 0.00 C ATOM 1882 CD2 LEU A 119 1.533 -13.325 6.959 1.00 0.00 C ATOM 0 H LEU A 119 5.706 -15.721 5.965 1.00 0.00 H new ATOM 0 HA LEU A 119 2.990 -15.776 7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.022 -13.939 8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.951 -13.476 6.769 1.00 0.00 H new ATOM 0 HG LEU A 119 3.070 -11.930 7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.379 -11.508 5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.124 -11.841 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.015 -13.101 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.801 -12.553 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.383 -14.183 6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.407 -13.634 7.997 1.00 0.00 H new ATOM 1894 N LYS A 120 2.483 -15.839 4.641 1.00 0.00 N ATOM 1895 CA LYS A 120 2.057 -15.739 3.291 1.00 0.00 C ATOM 1896 C LYS A 120 0.607 -15.299 3.252 1.00 0.00 C ATOM 1897 O LYS A 120 -0.217 -15.886 3.944 1.00 0.00 O ATOM 1898 CB LYS A 120 2.312 -17.034 2.519 1.00 0.00 C ATOM 1899 CG LYS A 120 1.706 -18.282 3.147 1.00 0.00 C ATOM 1900 CD LYS A 120 2.010 -19.578 2.368 1.00 0.00 C ATOM 1901 CE LYS A 120 1.375 -19.623 0.966 1.00 0.00 C ATOM 1902 NZ LYS A 120 2.073 -18.784 -0.040 1.00 0.00 N ATOM 0 H LYS A 120 1.853 -16.365 5.247 1.00 0.00 H new ATOM 0 HA LYS A 120 2.650 -14.979 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 120 1.915 -16.923 1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 120 3.388 -17.178 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 120 2.081 -18.384 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 120 0.626 -18.155 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 120 3.090 -19.688 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.653 -20.431 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 120 1.362 -20.656 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.337 -19.298 1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.483 -17.960 -0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 2.982 -18.460 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 2.244 -19.343 -0.900 1.00 0.00 H new ATOM 1916 N VAL A 121 0.297 -14.262 2.511 1.00 0.00 N ATOM 1917 CA VAL A 121 -1.069 -13.841 2.399 1.00 0.00 C ATOM 1918 C VAL A 121 -1.498 -13.928 0.961 1.00 0.00 C ATOM 1919 O VAL A 121 -0.676 -14.147 0.057 1.00 0.00 O ATOM 1920 CB VAL A 121 -1.368 -12.422 2.957 1.00 0.00 C ATOM 1921 CG1 VAL A 121 -0.811 -12.211 4.343 1.00 0.00 C ATOM 1922 CG2 VAL A 121 -0.960 -11.341 1.999 1.00 0.00 C ATOM 0 H VAL A 121 0.968 -13.703 1.984 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.644 -14.521 3.028 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.451 -12.353 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.050 -11.203 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -1.251 -12.937 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.271 -12.340 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.188 -10.367 2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.110 -11.411 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.506 -11.459 1.063 1.00 0.00 H new ATOM 1932 N ASP A 122 -2.727 -13.708 0.756 1.00 0.00 N ATOM 1933 CA ASP A 122 -3.360 -13.912 -0.488 1.00 0.00 C ATOM 1934 C ASP A 122 -4.040 -12.652 -1.002 1.00 0.00 C ATOM 1935 O ASP A 122 -4.252 -11.690 -0.264 1.00 0.00 O ATOM 1936 CB ASP A 122 -4.439 -14.939 -0.226 1.00 0.00 C ATOM 1937 CG ASP A 122 -5.502 -14.416 0.750 1.00 0.00 C ATOM 1938 OD1 ASP A 122 -5.182 -14.259 1.975 1.00 0.00 O ATOM 1939 OD2 ASP A 122 -6.631 -14.124 0.312 1.00 0.00 O ATOM 0 H ASP A 122 -3.357 -13.364 1.481 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.623 -14.216 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -4.915 -15.214 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.988 -15.844 0.180 1.00 0.00 H new ATOM 1944 N PHE A 123 -4.304 -12.658 -2.282 1.00 0.00 N ATOM 1945 CA PHE A 123 -5.201 -11.735 -2.908 1.00 0.00 C ATOM 1946 C PHE A 123 -5.942 -12.555 -3.950 1.00 0.00 C ATOM 1947 O PHE A 123 -5.312 -13.268 -4.749 1.00 0.00 O ATOM 1948 CB PHE A 123 -4.519 -10.508 -3.517 1.00 0.00 C ATOM 1949 CG PHE A 123 -5.531 -9.460 -3.904 1.00 0.00 C ATOM 1950 CD1 PHE A 123 -6.023 -8.578 -2.950 1.00 0.00 C ATOM 1951 CD2 PHE A 123 -6.010 -9.371 -5.197 1.00 0.00 C ATOM 1952 CE1 PHE A 123 -6.963 -7.630 -3.283 1.00 0.00 C ATOM 1953 CE2 PHE A 123 -6.954 -8.419 -5.528 1.00 0.00 C ATOM 1954 CZ PHE A 123 -7.429 -7.550 -4.572 1.00 0.00 C ATOM 0 H PHE A 123 -3.887 -13.325 -2.932 1.00 0.00 H new ATOM 0 HA PHE A 123 -5.870 -11.297 -2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -3.812 -10.088 -2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -3.945 -10.805 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -5.663 -8.637 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -5.644 -10.050 -5.953 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -7.334 -6.949 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -7.321 -8.356 -6.542 1.00 0.00 H new ATOM 0 HZ PHE A 123 -8.167 -6.807 -4.835 1.00 0.00 H new ATOM 1964 N MET A 124 -7.236 -12.449 -3.959 1.00 0.00 N ATOM 1965 CA MET A 124 -8.074 -13.438 -4.648 1.00 0.00 C ATOM 1966 C MET A 124 -8.737 -12.976 -5.939 1.00 0.00 C ATOM 1967 O MET A 124 -9.134 -11.815 -6.080 1.00 0.00 O ATOM 1968 CB MET A 124 -9.176 -13.931 -3.698 1.00 0.00 C ATOM 1969 CG MET A 124 -8.690 -14.696 -2.476 1.00 0.00 C ATOM 1970 SD MET A 124 -7.915 -16.262 -2.902 1.00 0.00 S ATOM 1971 CE MET A 124 -7.550 -16.899 -1.264 1.00 0.00 C ATOM 0 H MET A 124 -7.753 -11.697 -3.504 1.00 0.00 H new ATOM 0 HA MET A 124 -7.376 -14.225 -4.936 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.753 -13.070 -3.361 1.00 0.00 H new ATOM 0 HB3 MET A 124 -9.857 -14.571 -4.259 1.00 0.00 H new ATOM 0 HG2 MET A 124 -7.978 -14.080 -1.926 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.532 -14.881 -1.809 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.474 -17.033 -1.157 1.00 0.00 H new ATOM 0 HE2 MET A 124 -7.904 -16.194 -0.512 1.00 0.00 H new ATOM 0 HE3 MET A 124 -8.051 -17.857 -1.126 1.00 0.00 H new ATOM 1981 N GLU A 125 -8.811 -13.929 -6.869 1.00 0.00 N ATOM 1982 CA GLU A 125 -9.640 -13.909 -8.088 1.00 0.00 C ATOM 1983 C GLU A 125 -9.199 -12.965 -9.198 1.00 0.00 C ATOM 1984 O GLU A 125 -8.946 -13.400 -10.318 1.00 0.00 O ATOM 1985 CB GLU A 125 -11.135 -13.747 -7.757 1.00 0.00 C ATOM 1986 CG GLU A 125 -11.695 -14.869 -6.873 1.00 0.00 C ATOM 1987 CD GLU A 125 -11.549 -16.247 -7.497 1.00 0.00 C ATOM 1988 OE1 GLU A 125 -10.457 -16.851 -7.395 1.00 0.00 O ATOM 1989 OE2 GLU A 125 -12.514 -16.743 -8.102 1.00 0.00 O ATOM 0 H GLU A 125 -8.265 -14.787 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.475 -14.895 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -11.286 -12.791 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -11.702 -13.711 -8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -11.183 -14.856 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -12.749 -14.676 -6.675 1.00 0.00 H new ATOM 1996 N THR A 126 -9.114 -11.710 -8.915 1.00 0.00 N ATOM 1997 CA THR A 126 -8.797 -10.751 -9.937 1.00 0.00 C ATOM 1998 C THR A 126 -8.038 -9.600 -9.346 1.00 0.00 C ATOM 1999 O THR A 126 -8.013 -9.425 -8.130 1.00 0.00 O ATOM 2000 CB THR A 126 -10.101 -10.232 -10.658 1.00 0.00 C ATOM 2001 OG1 THR A 126 -9.786 -9.346 -11.762 1.00 0.00 O ATOM 2002 CG2 THR A 126 -11.038 -9.514 -9.684 1.00 0.00 C ATOM 0 H THR A 126 -9.258 -11.316 -7.985 1.00 0.00 H new ATOM 0 HA THR A 126 -8.174 -11.245 -10.683 1.00 0.00 H new ATOM 0 HB THR A 126 -10.608 -11.115 -11.048 1.00 0.00 H new ATOM 0 HG1 THR A 126 -10.616 -9.045 -12.187 1.00 0.00 H new ATOM 0 HG21 THR A 126 -11.924 -9.171 -10.218 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.335 -10.201 -8.891 1.00 0.00 H new ATOM 0 HG23 THR A 126 -10.523 -8.658 -9.248 1.00 0.00 H new ATOM 2010 N GLU A 127 -7.420 -8.861 -10.200 1.00 0.00 N ATOM 2011 CA GLU A 127 -6.717 -7.679 -9.864 1.00 0.00 C ATOM 2012 C GLU A 127 -7.593 -6.528 -10.313 1.00 0.00 C ATOM 2013 O GLU A 127 -7.548 -5.434 -9.708 1.00 0.00 O ATOM 2014 CB GLU A 127 -5.345 -7.667 -10.552 1.00 0.00 C ATOM 2015 CG GLU A 127 -4.447 -8.812 -10.102 1.00 0.00 C ATOM 2016 CD GLU A 127 -3.072 -8.807 -10.736 1.00 0.00 C ATOM 2017 OE1 GLU A 127 -2.547 -7.726 -11.092 1.00 0.00 O ATOM 2018 OE2 GLU A 127 -2.438 -9.888 -10.790 1.00 0.00 O ATOM 0 H GLU A 127 -7.392 -9.077 -11.196 1.00 0.00 H new ATOM 0 HA GLU A 127 -6.520 -7.606 -8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.485 -7.724 -11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.848 -6.719 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.336 -8.768 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.938 -9.757 -10.333 1.00 0.00 H new TER 2025 GLU A 127