USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 713 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 35 ASN : amide:sc= -0.0155 K(o=-0.038,f=-1.1) USER MOD Set 1.2: A 37 LYS NZ :NH3+ -145:sc= -0.0228 (180deg=0.656) USER MOD Set 2.1: A 28 SER OG : rot 85:sc= 1.63 USER MOD Set 2.2: A 33 CYS SG : rot -105:sc= -0.234 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.182 (180deg=-0.731) USER MOD Single : A 1 MET N :NH3+ -160:sc= 1.23 (180deg=1.01) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -122:sc= 0.0433 (180deg=-0.0106) USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 10 TYR OH : rot 112:sc= 0.386 USER MOD Single : A 13 ASN : amide:sc= 1.16 K(o=1.2,f=-0.88) USER MOD Single : A 15 SER OG : rot -108:sc= 1.25 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 25 GLN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc=-0.00431 (180deg=-0.128) USER MOD Single : A 36 CYS SG : rot 153:sc= 1.25 USER MOD Single : A 38 MET CE :methyl -166:sc= -1.54 (180deg=-1.83) USER MOD Single : A 40 MET CE :methyl 168:sc= 0 (180deg=-0.151) USER MOD Single : A 42 THR OG1 : rot -26:sc= 0.0888 USER MOD Single : A 45 ASN : amide:sc= -0.0323 K(o=-0.032,f=-3.2!) USER MOD Single : A 48 TYR OH : rot 27:sc= 1.24 USER MOD Single : A 49 CYS SG : rot 29:sc= 1.14 USER MOD Single : A 54 HIS : no HD1:sc= -2.9! K(o=-2.9!,f=-1.3) USER MOD Single : A 56 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 58 HIS : no HE2:sc= 0.242 K(o=0.24,f=-4.2!) USER MOD Single : A 66 MET CE :methyl -131:sc= -0.0694 (180deg=-0.729) USER MOD Single : A 67 ASN : amide:sc= -1.02 K(o=-1,f=-0.29) USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= -0.0984 (180deg=-0.551) USER MOD Single : A 72 MET CE :methyl -145:sc= -0.13 (180deg=-1.95) USER MOD Single : A 74 LYS NZ :NH3+ 147:sc= 1.91 (180deg=1.25!) USER MOD Single : A 77 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.18) USER MOD Single : A 79 ASN : amide:sc= 0.0254 X(o=0.025,f=-0.17) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 83 THR OG1 : rot 49:sc= 0.0241 USER MOD Single : A 85 SER OG : rot 25:sc= 0.65 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= -0.0195 (180deg=-0.112) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 90:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.035 -17.970 -3.952 1.00 0.00 N ATOM 2 CA MET A 1 -2.960 -17.612 -2.990 1.00 0.00 C ATOM 3 C MET A 1 -2.519 -16.166 -3.189 1.00 0.00 C ATOM 4 O MET A 1 -2.271 -15.444 -2.226 1.00 0.00 O ATOM 5 CB MET A 1 -1.753 -18.543 -3.150 1.00 0.00 C ATOM 6 CG MET A 1 -0.663 -18.300 -2.116 1.00 0.00 C ATOM 7 SD MET A 1 0.804 -19.320 -2.382 1.00 0.00 S ATOM 8 CE MET A 1 1.354 -18.709 -3.975 1.00 0.00 C ATOM 0 H1 MET A 1 -4.551 -18.803 -3.602 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.693 -17.171 -4.050 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.614 -18.187 -4.878 1.00 0.00 H new ATOM 0 HA MET A 1 -3.363 -17.726 -1.984 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.089 -19.577 -3.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.333 -18.414 -4.147 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.376 -17.249 -2.139 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.062 -18.500 -1.122 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.439 -18.600 -3.968 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.065 -19.414 -4.755 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.893 -17.741 -4.172 1.00 0.00 H new ATOM 20 N GLU A 2 -2.431 -15.738 -4.443 1.00 0.00 N ATOM 21 CA GLU A 2 -2.030 -14.371 -4.758 1.00 0.00 C ATOM 22 C GLU A 2 -3.163 -13.411 -4.418 1.00 0.00 C ATOM 23 O GLU A 2 -2.956 -12.214 -4.221 1.00 0.00 O ATOM 24 CB GLU A 2 -1.667 -14.256 -6.240 1.00 0.00 C ATOM 25 CG GLU A 2 -0.621 -15.264 -6.688 1.00 0.00 C ATOM 26 CD GLU A 2 -0.286 -15.145 -8.160 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.775 -14.576 -8.486 1.00 0.00 O ATOM 28 OE2 GLU A 2 -1.083 -15.621 -8.999 1.00 0.00 O ATOM 0 H GLU A 2 -2.632 -16.317 -5.258 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.154 -14.111 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.568 -14.390 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.299 -13.250 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.287 -15.125 -6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.982 -16.272 -6.482 1.00 0.00 H new ATOM 35 N ASP A 3 -4.358 -13.972 -4.328 1.00 0.00 N ATOM 36 CA ASP A 3 -5.563 -13.219 -4.008 1.00 0.00 C ATOM 37 C ASP A 3 -5.673 -12.986 -2.504 1.00 0.00 C ATOM 38 O ASP A 3 -6.550 -12.262 -2.037 1.00 0.00 O ATOM 39 CB ASP A 3 -6.789 -13.979 -4.512 1.00 0.00 C ATOM 40 CG ASP A 3 -6.942 -15.347 -3.869 1.00 0.00 C ATOM 41 OD1 ASP A 3 -8.049 -15.652 -3.374 1.00 0.00 O ATOM 42 OD2 ASP A 3 -5.957 -16.123 -3.852 1.00 0.00 O ATOM 0 H ASP A 3 -4.522 -14.968 -4.475 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.510 -12.248 -4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.683 -13.388 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.718 -14.097 -5.593 1.00 0.00 H new ATOM 47 N GLU A 4 -4.763 -13.595 -1.750 1.00 0.00 N ATOM 48 CA GLU A 4 -4.749 -13.469 -0.297 1.00 0.00 C ATOM 49 C GLU A 4 -4.161 -12.126 0.133 1.00 0.00 C ATOM 50 O GLU A 4 -4.174 -11.785 1.319 1.00 0.00 O ATOM 51 CB GLU A 4 -3.934 -14.606 0.329 1.00 0.00 C ATOM 52 CG GLU A 4 -4.563 -15.980 0.172 1.00 0.00 C ATOM 53 CD GLU A 4 -5.830 -16.133 0.984 1.00 0.00 C ATOM 54 OE1 GLU A 4 -6.923 -16.170 0.388 1.00 0.00 O ATOM 55 OE2 GLU A 4 -5.738 -16.220 2.229 1.00 0.00 O ATOM 0 H GLU A 4 -4.020 -14.185 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.780 -13.527 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.942 -14.619 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.798 -14.400 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.786 -16.156 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.845 -16.742 0.477 1.00 0.00 H new ATOM 62 N MET A 5 -3.646 -11.362 -0.822 1.00 0.00 N ATOM 63 CA MET A 5 -3.032 -10.076 -0.514 1.00 0.00 C ATOM 64 C MET A 5 -3.719 -8.938 -1.270 1.00 0.00 C ATOM 65 O MET A 5 -3.133 -8.361 -2.189 1.00 0.00 O ATOM 66 CB MET A 5 -1.543 -10.100 -0.878 1.00 0.00 C ATOM 67 CG MET A 5 -0.739 -11.169 -0.155 1.00 0.00 C ATOM 68 SD MET A 5 0.994 -11.180 -0.658 1.00 0.00 S ATOM 69 CE MET A 5 1.634 -12.496 0.377 1.00 0.00 C ATOM 0 H MET A 5 -3.641 -11.609 -1.812 1.00 0.00 H new ATOM 0 HA MET A 5 -3.146 -9.902 0.556 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.446 -10.254 -1.953 1.00 0.00 H new ATOM 0 HB3 MET A 5 -1.111 -9.124 -0.656 1.00 0.00 H new ATOM 0 HG2 MET A 5 -0.802 -11.003 0.920 1.00 0.00 H new ATOM 0 HG3 MET A 5 -1.179 -12.147 -0.352 1.00 0.00 H new ATOM 0 HE1 MET A 5 2.699 -12.626 0.183 1.00 0.00 H new ATOM 0 HE2 MET A 5 1.485 -12.239 1.426 1.00 0.00 H new ATOM 0 HE3 MET A 5 1.108 -13.424 0.152 1.00 0.00 H new ATOM 79 N PRO A 6 -4.958 -8.578 -0.888 1.00 0.00 N ATOM 80 CA PRO A 6 -5.682 -7.475 -1.525 1.00 0.00 C ATOM 81 C PRO A 6 -4.977 -6.143 -1.303 1.00 0.00 C ATOM 82 O PRO A 6 -4.582 -5.473 -2.252 1.00 0.00 O ATOM 83 CB PRO A 6 -7.050 -7.476 -0.828 1.00 0.00 C ATOM 84 CG PRO A 6 -6.834 -8.206 0.452 1.00 0.00 C ATOM 85 CD PRO A 6 -5.755 -9.213 0.174 1.00 0.00 C ATOM 0 HA PRO A 6 -5.751 -7.601 -2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.401 -6.460 -0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.804 -7.970 -1.441 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.535 -7.522 1.246 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.750 -8.696 0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.154 -9.413 1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.170 -10.167 -0.152 1.00 0.00 H new ATOM 93 N LYS A 7 -4.816 -5.793 -0.023 1.00 0.00 N ATOM 94 CA LYS A 7 -4.141 -4.564 0.409 1.00 0.00 C ATOM 95 C LYS A 7 -5.016 -3.338 0.160 1.00 0.00 C ATOM 96 O LYS A 7 -4.698 -2.239 0.607 1.00 0.00 O ATOM 97 CB LYS A 7 -2.777 -4.395 -0.277 1.00 0.00 C ATOM 98 CG LYS A 7 -1.859 -5.601 -0.130 1.00 0.00 C ATOM 99 CD LYS A 7 -0.502 -5.360 -0.777 1.00 0.00 C ATOM 100 CE LYS A 7 -0.635 -4.950 -2.238 1.00 0.00 C ATOM 101 NZ LYS A 7 -1.278 -6.003 -3.076 1.00 0.00 N ATOM 0 H LYS A 7 -5.155 -6.362 0.753 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.969 -4.653 1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.936 -4.199 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.279 -3.519 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.723 -5.827 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.329 -6.473 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.029 -4.582 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.100 -6.266 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.221 -4.033 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.353 -4.725 -2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.636 -6.271 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.481 -6.837 -2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.165 -5.636 -3.475 1.00 0.00 H new ATOM 115 N THR A 8 -6.113 -3.535 -0.551 1.00 0.00 N ATOM 116 CA THR A 8 -7.059 -2.469 -0.816 1.00 0.00 C ATOM 117 C THR A 8 -8.159 -2.458 0.239 1.00 0.00 C ATOM 118 O THR A 8 -8.880 -3.447 0.408 1.00 0.00 O ATOM 119 CB THR A 8 -7.694 -2.636 -2.207 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.666 -2.720 -3.203 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.630 -1.478 -2.525 1.00 0.00 C ATOM 0 H THR A 8 -6.371 -4.434 -0.958 1.00 0.00 H new ATOM 0 HA THR A 8 -6.515 -1.525 -0.783 1.00 0.00 H new ATOM 0 HB THR A 8 -8.279 -3.556 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.075 -2.828 -4.087 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.065 -1.622 -3.514 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.426 -1.439 -1.781 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.071 -0.543 -2.508 1.00 0.00 H new ATOM 129 N LEU A 9 -8.278 -1.352 0.952 1.00 0.00 N ATOM 130 CA LEU A 9 -9.318 -1.207 1.955 1.00 0.00 C ATOM 131 C LEU A 9 -10.520 -0.491 1.356 1.00 0.00 C ATOM 132 O LEU A 9 -10.383 0.564 0.737 1.00 0.00 O ATOM 133 CB LEU A 9 -8.812 -0.444 3.189 1.00 0.00 C ATOM 134 CG LEU A 9 -7.823 -1.195 4.091 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.372 -2.559 4.479 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.464 -1.332 3.427 1.00 0.00 C ATOM 0 H LEU A 9 -7.667 -0.541 0.855 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.612 -2.205 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.337 0.477 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.674 -0.156 3.791 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.692 -0.607 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.653 -3.072 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.311 -2.433 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.545 -3.151 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.787 -1.868 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.569 -1.884 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.059 -0.342 3.219 1.00 0.00 H new ATOM 148 N TYR A 10 -11.686 -1.090 1.521 1.00 0.00 N ATOM 149 CA TYR A 10 -12.931 -0.498 1.063 1.00 0.00 C ATOM 150 C TYR A 10 -13.584 0.254 2.209 1.00 0.00 C ATOM 151 O TYR A 10 -13.931 -0.343 3.226 1.00 0.00 O ATOM 152 CB TYR A 10 -13.880 -1.591 0.543 1.00 0.00 C ATOM 153 CG TYR A 10 -15.204 -1.067 0.024 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.259 -0.795 0.888 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.400 -0.849 -1.332 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.466 -0.316 0.415 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.603 -0.371 -1.813 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.633 -0.107 -0.937 1.00 0.00 C ATOM 159 OH TYR A 10 -18.832 0.372 -1.415 1.00 0.00 O ATOM 0 H TYR A 10 -11.797 -1.997 1.974 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.720 0.195 0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.381 -2.140 -0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.073 -2.302 1.347 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.133 -0.961 1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.597 -1.057 -2.024 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.274 -0.107 1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.736 -0.205 -2.872 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.707 1.281 -1.759 1.00 0.00 H new ATOM 169 N VAL A 11 -13.733 1.559 2.052 1.00 0.00 N ATOM 170 CA VAL A 11 -14.378 2.380 3.064 1.00 0.00 C ATOM 171 C VAL A 11 -15.667 2.977 2.518 1.00 0.00 C ATOM 172 O VAL A 11 -15.654 3.676 1.509 1.00 0.00 O ATOM 173 CB VAL A 11 -13.459 3.520 3.551 1.00 0.00 C ATOM 174 CG1 VAL A 11 -14.136 4.321 4.655 1.00 0.00 C ATOM 175 CG2 VAL A 11 -12.131 2.964 4.029 1.00 0.00 C ATOM 0 H VAL A 11 -13.415 2.074 1.231 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.598 1.731 3.911 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.268 4.190 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.472 5.120 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.062 4.753 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.359 3.665 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.495 3.782 4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.302 2.271 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.640 2.439 3.209 1.00 0.00 H new ATOM 185 N GLY A 12 -16.773 2.680 3.171 1.00 0.00 N ATOM 186 CA GLY A 12 -18.042 3.242 2.764 1.00 0.00 C ATOM 187 C GLY A 12 -18.521 4.313 3.722 1.00 0.00 C ATOM 188 O GLY A 12 -17.949 4.474 4.804 1.00 0.00 O ATOM 0 H GLY A 12 -16.818 2.058 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.947 3.666 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.787 2.449 2.704 1.00 0.00 H new ATOM 192 N ASN A 13 -19.559 5.042 3.311 1.00 0.00 N ATOM 193 CA ASN A 13 -20.205 6.062 4.141 1.00 0.00 C ATOM 194 C ASN A 13 -19.377 7.339 4.228 1.00 0.00 C ATOM 195 O ASN A 13 -19.145 7.873 5.316 1.00 0.00 O ATOM 196 CB ASN A 13 -20.510 5.541 5.550 1.00 0.00 C ATOM 197 CG ASN A 13 -21.561 4.450 5.562 1.00 0.00 C ATOM 198 OD1 ASN A 13 -22.480 4.434 4.742 1.00 0.00 O ATOM 199 ND2 ASN A 13 -21.434 3.536 6.505 1.00 0.00 N ATOM 0 H ASN A 13 -19.979 4.941 2.387 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.148 6.300 3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.592 5.159 5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.847 6.370 6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.113 2.778 6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.657 3.588 7.164 1.00 0.00 H new ATOM 206 N LEU A 14 -18.951 7.842 3.079 1.00 0.00 N ATOM 207 CA LEU A 14 -18.248 9.116 3.024 1.00 0.00 C ATOM 208 C LEU A 14 -19.236 10.262 2.869 1.00 0.00 C ATOM 209 O LEU A 14 -20.442 10.052 2.769 1.00 0.00 O ATOM 210 CB LEU A 14 -17.245 9.150 1.867 1.00 0.00 C ATOM 211 CG LEU A 14 -16.021 8.257 2.029 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.111 8.399 0.821 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.271 8.600 3.307 1.00 0.00 C ATOM 0 H LEU A 14 -19.079 7.389 2.174 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.702 9.229 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.763 8.863 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.907 10.178 1.733 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.352 7.221 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.239 7.757 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.652 8.106 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.788 9.436 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.401 7.951 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.946 9.640 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.928 8.456 4.164 1.00 0.00 H new ATOM 225 N SER A 15 -18.717 11.476 2.857 1.00 0.00 N ATOM 226 CA SER A 15 -19.535 12.658 2.682 1.00 0.00 C ATOM 227 C SER A 15 -18.721 13.721 1.959 1.00 0.00 C ATOM 228 O SER A 15 -17.501 13.590 1.846 1.00 0.00 O ATOM 229 CB SER A 15 -20.019 13.174 4.045 1.00 0.00 C ATOM 230 OG SER A 15 -20.955 14.229 3.899 1.00 0.00 O ATOM 0 H SER A 15 -17.721 11.668 2.968 1.00 0.00 H new ATOM 0 HA SER A 15 -20.414 12.414 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 15 -20.475 12.357 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 15 -19.166 13.521 4.628 1.00 0.00 H new ATOM 0 HG SER A 15 -20.536 15.076 4.159 1.00 0.00 H new ATOM 236 N ARG A 16 -19.378 14.772 1.483 1.00 0.00 N ATOM 237 CA ARG A 16 -18.681 15.850 0.786 1.00 0.00 C ATOM 238 C ARG A 16 -17.813 16.616 1.774 1.00 0.00 C ATOM 239 O ARG A 16 -16.820 17.241 1.404 1.00 0.00 O ATOM 240 CB ARG A 16 -19.666 16.811 0.100 1.00 0.00 C ATOM 241 CG ARG A 16 -20.516 16.173 -0.994 1.00 0.00 C ATOM 242 CD ARG A 16 -21.632 15.313 -0.423 1.00 0.00 C ATOM 243 NE ARG A 16 -22.354 14.592 -1.464 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.511 13.962 -1.271 1.00 0.00 C ATOM 245 NH1 ARG A 16 -24.077 13.963 -0.069 1.00 0.00 N ATOM 246 NH2 ARG A 16 -24.092 13.331 -2.278 1.00 0.00 N ATOM 0 H ARG A 16 -20.386 14.902 1.565 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.057 15.405 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.328 17.233 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.104 17.640 -0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -20.946 16.955 -1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -19.881 15.563 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.213 14.600 0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -22.328 15.943 0.131 1.00 0.00 H new ATOM 0 HE ARG A 16 -21.947 14.569 -2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.625 14.447 0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -24.963 13.480 0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -23.654 13.328 -3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.978 12.847 -2.133 1.00 0.00 H new ATOM 260 N ASP A 17 -18.201 16.533 3.041 1.00 0.00 N ATOM 261 CA ASP A 17 -17.465 17.169 4.126 1.00 0.00 C ATOM 262 C ASP A 17 -16.118 16.484 4.322 1.00 0.00 C ATOM 263 O ASP A 17 -15.150 17.108 4.755 1.00 0.00 O ATOM 264 CB ASP A 17 -18.262 17.087 5.429 1.00 0.00 C ATOM 265 CG ASP A 17 -19.717 17.473 5.258 1.00 0.00 C ATOM 266 OD1 ASP A 17 -20.536 16.580 4.949 1.00 0.00 O ATOM 267 OD2 ASP A 17 -20.053 18.660 5.434 1.00 0.00 O ATOM 0 H ASP A 17 -19.032 16.025 3.344 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.307 18.215 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.205 16.071 5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.803 17.741 6.171 1.00 0.00 H new ATOM 272 N VAL A 18 -16.063 15.196 3.995 1.00 0.00 N ATOM 273 CA VAL A 18 -14.856 14.406 4.197 1.00 0.00 C ATOM 274 C VAL A 18 -13.797 14.770 3.163 1.00 0.00 C ATOM 275 O VAL A 18 -14.046 14.714 1.956 1.00 0.00 O ATOM 276 CB VAL A 18 -15.146 12.885 4.133 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.877 12.082 4.378 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.226 12.504 5.135 1.00 0.00 C ATOM 0 H VAL A 18 -16.842 14.678 3.589 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.483 14.639 5.194 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.508 12.649 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.105 11.017 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.137 12.330 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.479 12.322 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.416 11.432 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.894 12.758 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.142 13.048 4.907 1.00 0.00 H new ATOM 288 N THR A 19 -12.632 15.174 3.640 1.00 0.00 N ATOM 289 CA THR A 19 -11.522 15.504 2.764 1.00 0.00 C ATOM 290 C THR A 19 -10.631 14.287 2.541 1.00 0.00 C ATOM 291 O THR A 19 -10.466 13.445 3.430 1.00 0.00 O ATOM 292 CB THR A 19 -10.679 16.669 3.335 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.520 16.886 2.519 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.248 16.389 4.767 1.00 0.00 C ATOM 0 H THR A 19 -12.430 15.282 4.634 1.00 0.00 H new ATOM 0 HA THR A 19 -11.944 15.819 1.809 1.00 0.00 H new ATOM 0 HB THR A 19 -11.302 17.564 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.994 17.626 2.888 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.658 17.226 5.140 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.130 16.260 5.394 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.647 15.480 4.795 1.00 0.00 H new ATOM 302 N GLU A 20 -10.068 14.203 1.339 1.00 0.00 N ATOM 303 CA GLU A 20 -9.139 13.140 0.989 1.00 0.00 C ATOM 304 C GLU A 20 -7.924 13.173 1.909 1.00 0.00 C ATOM 305 O GLU A 20 -7.387 12.129 2.284 1.00 0.00 O ATOM 306 CB GLU A 20 -8.696 13.291 -0.469 1.00 0.00 C ATOM 307 CG GLU A 20 -7.588 12.336 -0.872 1.00 0.00 C ATOM 308 CD GLU A 20 -7.086 12.575 -2.276 1.00 0.00 C ATOM 309 OE1 GLU A 20 -7.069 11.619 -3.075 1.00 0.00 O ATOM 310 OE2 GLU A 20 -6.697 13.719 -2.590 1.00 0.00 O ATOM 0 H GLU A 20 -10.244 14.868 0.585 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.643 12.181 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.556 13.131 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.359 14.315 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.758 12.436 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.951 11.312 -0.791 1.00 0.00 H new ATOM 317 N ALA A 21 -7.520 14.380 2.291 1.00 0.00 N ATOM 318 CA ALA A 21 -6.350 14.573 3.133 1.00 0.00 C ATOM 319 C ALA A 21 -6.513 13.855 4.464 1.00 0.00 C ATOM 320 O ALA A 21 -5.560 13.293 4.989 1.00 0.00 O ATOM 321 CB ALA A 21 -6.103 16.054 3.359 1.00 0.00 C ATOM 0 H ALA A 21 -7.992 15.245 2.027 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.488 14.146 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.224 16.184 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.937 16.546 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.970 16.497 3.848 1.00 0.00 H new ATOM 327 N LEU A 22 -7.732 13.856 4.987 1.00 0.00 N ATOM 328 CA LEU A 22 -8.015 13.220 6.265 1.00 0.00 C ATOM 329 C LEU A 22 -7.885 11.706 6.142 1.00 0.00 C ATOM 330 O LEU A 22 -7.134 11.072 6.886 1.00 0.00 O ATOM 331 CB LEU A 22 -9.425 13.592 6.742 1.00 0.00 C ATOM 332 CG LEU A 22 -9.864 12.951 8.059 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.957 13.391 9.200 1.00 0.00 C ATOM 334 CD2 LEU A 22 -11.314 13.298 8.360 1.00 0.00 C ATOM 0 H LEU A 22 -8.541 14.291 4.544 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.291 13.575 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.480 14.675 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.138 13.312 5.966 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.783 11.869 7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.287 12.924 10.128 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.931 13.090 8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.003 14.475 9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.611 12.834 9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.420 14.380 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.951 12.929 7.556 1.00 0.00 H new ATOM 346 N ILE A 23 -8.599 11.147 5.170 1.00 0.00 N ATOM 347 CA ILE A 23 -8.632 9.706 4.950 1.00 0.00 C ATOM 348 C ILE A 23 -7.236 9.148 4.684 1.00 0.00 C ATOM 349 O ILE A 23 -6.780 8.230 5.372 1.00 0.00 O ATOM 350 CB ILE A 23 -9.566 9.352 3.768 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.006 9.772 4.085 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.503 7.862 3.442 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.584 9.108 5.319 1.00 0.00 C ATOM 0 H ILE A 23 -9.170 11.680 4.514 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.018 9.250 5.861 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.225 9.901 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.037 10.853 4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.639 9.538 3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.170 7.644 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.482 7.592 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.812 7.285 4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.605 9.457 5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.587 8.027 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.976 9.362 6.187 1.00 0.00 H new ATOM 365 N LEU A 24 -6.551 9.725 3.705 1.00 0.00 N ATOM 366 CA LEU A 24 -5.234 9.248 3.308 1.00 0.00 C ATOM 367 C LEU A 24 -4.226 9.401 4.440 1.00 0.00 C ATOM 368 O LEU A 24 -3.382 8.533 4.640 1.00 0.00 O ATOM 369 CB LEU A 24 -4.747 9.982 2.052 1.00 0.00 C ATOM 370 CG LEU A 24 -5.188 9.366 0.716 1.00 0.00 C ATOM 371 CD1 LEU A 24 -4.601 7.973 0.556 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.705 9.312 0.608 1.00 0.00 C ATOM 0 H LEU A 24 -6.887 10.526 3.171 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.321 8.186 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.102 11.012 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.658 10.020 2.073 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.814 10.003 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.923 7.550 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.513 8.032 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.946 7.337 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.986 8.871 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.106 8.705 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.111 10.321 0.675 1.00 0.00 H new ATOM 384 N GLN A 25 -4.333 10.491 5.191 1.00 0.00 N ATOM 385 CA GLN A 25 -3.431 10.741 6.311 1.00 0.00 C ATOM 386 C GLN A 25 -3.587 9.670 7.384 1.00 0.00 C ATOM 387 O GLN A 25 -2.595 9.154 7.908 1.00 0.00 O ATOM 388 CB GLN A 25 -3.703 12.120 6.907 1.00 0.00 C ATOM 389 CG GLN A 25 -2.882 12.435 8.145 1.00 0.00 C ATOM 390 CD GLN A 25 -3.174 13.821 8.692 1.00 0.00 C ATOM 391 OE1 GLN A 25 -2.311 14.459 9.292 1.00 0.00 O ATOM 392 NE2 GLN A 25 -4.392 14.298 8.484 1.00 0.00 N ATOM 0 H GLN A 25 -5.035 11.216 5.045 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.407 10.708 5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.502 12.877 6.149 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.761 12.193 7.158 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.090 11.692 8.915 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.822 12.357 7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.080 13.738 7.981 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.642 15.226 8.826 1.00 0.00 H new ATOM 401 N LEU A 26 -4.833 9.333 7.697 1.00 0.00 N ATOM 402 CA LEU A 26 -5.120 8.328 8.708 1.00 0.00 C ATOM 403 C LEU A 26 -4.572 6.971 8.289 1.00 0.00 C ATOM 404 O LEU A 26 -3.958 6.266 9.087 1.00 0.00 O ATOM 405 CB LEU A 26 -6.620 8.238 8.965 1.00 0.00 C ATOM 406 CG LEU A 26 -7.246 9.508 9.536 1.00 0.00 C ATOM 407 CD1 LEU A 26 -8.656 9.224 10.000 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.407 10.061 10.680 1.00 0.00 C ATOM 0 H LEU A 26 -5.660 9.743 7.263 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.628 8.627 9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.121 7.991 8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.808 7.415 9.654 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.278 10.262 8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.096 10.135 10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.254 8.877 9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.637 8.455 10.772 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.874 10.966 11.070 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.339 9.317 11.474 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.407 10.297 10.317 1.00 0.00 H new ATOM 420 N PHE A 27 -4.779 6.620 7.025 1.00 0.00 N ATOM 421 CA PHE A 27 -4.272 5.362 6.499 1.00 0.00 C ATOM 422 C PHE A 27 -2.752 5.375 6.403 1.00 0.00 C ATOM 423 O PHE A 27 -2.109 4.358 6.644 1.00 0.00 O ATOM 424 CB PHE A 27 -4.890 5.047 5.138 1.00 0.00 C ATOM 425 CG PHE A 27 -6.299 4.532 5.230 1.00 0.00 C ATOM 426 CD1 PHE A 27 -7.347 5.235 4.664 1.00 0.00 C ATOM 427 CD2 PHE A 27 -6.572 3.341 5.888 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.643 4.761 4.749 1.00 0.00 C ATOM 429 CE2 PHE A 27 -7.865 2.863 5.975 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.901 3.574 5.405 1.00 0.00 C ATOM 0 H PHE A 27 -5.292 7.187 6.350 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.561 4.576 7.197 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.879 5.948 4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.273 4.307 4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.151 6.164 4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.765 2.782 6.337 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.453 5.319 4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.065 1.934 6.488 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.913 3.202 5.472 1.00 0.00 H new ATOM 440 N SER A 28 -2.183 6.533 6.071 1.00 0.00 N ATOM 441 CA SER A 28 -0.729 6.679 5.992 1.00 0.00 C ATOM 442 C SER A 28 -0.075 6.414 7.345 1.00 0.00 C ATOM 443 O SER A 28 1.065 5.950 7.414 1.00 0.00 O ATOM 444 CB SER A 28 -0.349 8.077 5.496 1.00 0.00 C ATOM 445 OG SER A 28 -0.794 8.284 4.167 1.00 0.00 O ATOM 0 H SER A 28 -2.704 7.382 5.853 1.00 0.00 H new ATOM 0 HA SER A 28 -0.363 5.940 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.787 8.830 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.733 8.202 5.544 1.00 0.00 H new ATOM 0 HG SER A 28 -1.726 8.585 4.177 1.00 0.00 H new ATOM 451 N GLN A 29 -0.799 6.711 8.416 1.00 0.00 N ATOM 452 CA GLN A 29 -0.304 6.455 9.759 1.00 0.00 C ATOM 453 C GLN A 29 -0.241 4.953 10.026 1.00 0.00 C ATOM 454 O GLN A 29 0.580 4.483 10.819 1.00 0.00 O ATOM 455 CB GLN A 29 -1.195 7.133 10.801 1.00 0.00 C ATOM 456 CG GLN A 29 -0.707 6.930 12.223 1.00 0.00 C ATOM 457 CD GLN A 29 -1.716 7.357 13.269 1.00 0.00 C ATOM 458 OE1 GLN A 29 -2.500 8.285 13.057 1.00 0.00 O ATOM 459 NE2 GLN A 29 -1.714 6.663 14.396 1.00 0.00 N ATOM 0 H GLN A 29 -1.729 7.128 8.380 1.00 0.00 H new ATOM 0 HA GLN A 29 0.701 6.870 9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.244 8.201 10.589 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.209 6.744 10.712 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.465 5.877 12.370 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.216 7.492 12.367 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.046 5.903 14.526 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.381 6.888 15.135 1.00 0.00 H new ATOM 468 N ILE A 30 -1.104 4.201 9.356 1.00 0.00 N ATOM 469 CA ILE A 30 -1.159 2.762 9.540 1.00 0.00 C ATOM 470 C ILE A 30 -0.232 2.056 8.555 1.00 0.00 C ATOM 471 O ILE A 30 0.631 1.276 8.954 1.00 0.00 O ATOM 472 CB ILE A 30 -2.595 2.221 9.363 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.576 2.984 10.265 1.00 0.00 C ATOM 474 CG2 ILE A 30 -2.639 0.728 9.672 1.00 0.00 C ATOM 475 CD1 ILE A 30 -3.285 2.852 11.746 1.00 0.00 C ATOM 0 H ILE A 30 -1.775 4.567 8.680 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.832 2.557 10.560 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.895 2.372 8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.556 4.040 9.994 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.586 2.624 10.071 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.657 0.360 9.543 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.972 0.196 8.993 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.320 0.560 10.700 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.022 3.420 12.314 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.335 1.802 12.034 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.288 3.239 11.957 1.00 0.00 H new ATOM 487 N GLY A 31 -0.388 2.357 7.274 1.00 0.00 N ATOM 488 CA GLY A 31 0.418 1.713 6.257 1.00 0.00 C ATOM 489 C GLY A 31 0.666 2.609 5.066 1.00 0.00 C ATOM 490 O GLY A 31 -0.053 3.584 4.862 1.00 0.00 O ATOM 0 H GLY A 31 -1.060 3.038 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.373 1.415 6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.080 0.802 5.925 1.00 0.00 H new ATOM 494 N PRO A 32 1.687 2.300 4.262 1.00 0.00 N ATOM 495 CA PRO A 32 1.996 3.061 3.051 1.00 0.00 C ATOM 496 C PRO A 32 0.899 2.929 1.991 1.00 0.00 C ATOM 497 O PRO A 32 0.646 1.835 1.476 1.00 0.00 O ATOM 498 CB PRO A 32 3.308 2.437 2.560 1.00 0.00 C ATOM 499 CG PRO A 32 3.333 1.072 3.156 1.00 0.00 C ATOM 500 CD PRO A 32 2.633 1.188 4.478 1.00 0.00 C ATOM 0 HA PRO A 32 2.072 4.131 3.246 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.341 2.393 1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.169 3.024 2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.829 0.354 2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.357 0.721 3.286 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.116 0.265 4.742 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.332 1.405 5.286 1.00 0.00 H new ATOM 508 N CYS A 33 0.252 4.040 1.670 1.00 0.00 N ATOM 509 CA CYS A 33 -0.811 4.046 0.676 1.00 0.00 C ATOM 510 C CYS A 33 -0.238 4.318 -0.713 1.00 0.00 C ATOM 511 O CYS A 33 0.452 5.315 -0.931 1.00 0.00 O ATOM 512 CB CYS A 33 -1.872 5.087 1.040 1.00 0.00 C ATOM 513 SG CYS A 33 -1.218 6.752 1.291 1.00 0.00 S ATOM 0 H CYS A 33 0.446 4.951 2.085 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.285 3.064 0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.621 5.118 0.249 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.382 4.768 1.949 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.197 7.023 2.562 1.00 0.00 H new ATOM 519 N LYS A 34 -0.526 3.421 -1.646 1.00 0.00 N ATOM 520 CA LYS A 34 0.041 3.495 -2.986 1.00 0.00 C ATOM 521 C LYS A 34 -0.807 4.373 -3.897 1.00 0.00 C ATOM 522 O LYS A 34 -0.277 5.139 -4.701 1.00 0.00 O ATOM 523 CB LYS A 34 0.164 2.094 -3.595 1.00 0.00 C ATOM 524 CG LYS A 34 0.893 2.089 -4.926 1.00 0.00 C ATOM 525 CD LYS A 34 0.942 0.704 -5.542 1.00 0.00 C ATOM 526 CE LYS A 34 1.791 0.696 -6.804 1.00 0.00 C ATOM 527 NZ LYS A 34 1.270 1.630 -7.839 1.00 0.00 N ATOM 0 H LYS A 34 -1.152 2.630 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 34 1.032 3.940 -2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.691 1.445 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.833 1.674 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.397 2.774 -5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.908 2.459 -4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.350 -0.004 -4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.069 0.371 -5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.815 0.970 -6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.823 -0.314 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.784 1.482 -8.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.257 1.451 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.405 2.611 -7.521 1.00 0.00 H new ATOM 541 N ASN A 35 -2.122 4.248 -3.772 1.00 0.00 N ATOM 542 CA ASN A 35 -3.047 4.980 -4.626 1.00 0.00 C ATOM 543 C ASN A 35 -4.418 5.041 -3.964 1.00 0.00 C ATOM 544 O ASN A 35 -4.765 4.168 -3.164 1.00 0.00 O ATOM 545 CB ASN A 35 -3.135 4.303 -5.998 1.00 0.00 C ATOM 546 CG ASN A 35 -3.936 5.101 -7.012 1.00 0.00 C ATOM 547 OD1 ASN A 35 -4.036 6.327 -6.930 1.00 0.00 O ATOM 548 ND2 ASN A 35 -4.492 4.405 -7.989 1.00 0.00 N ATOM 0 H ASN A 35 -2.573 3.644 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.684 5.998 -4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.127 4.147 -6.383 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.588 3.319 -5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.029 4.882 -8.713 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.384 3.391 -8.018 1.00 0.00 H new ATOM 555 N CYS A 36 -5.187 6.070 -4.287 1.00 0.00 N ATOM 556 CA CYS A 36 -6.480 6.281 -3.659 1.00 0.00 C ATOM 557 C CYS A 36 -7.585 6.424 -4.698 1.00 0.00 C ATOM 558 O CYS A 36 -7.362 6.931 -5.803 1.00 0.00 O ATOM 559 CB CYS A 36 -6.427 7.521 -2.766 1.00 0.00 C ATOM 560 SG CYS A 36 -5.823 9.004 -3.603 1.00 0.00 S ATOM 0 H CYS A 36 -4.936 6.773 -4.982 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.709 5.407 -3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.425 7.718 -2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.785 7.313 -1.910 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.320 10.059 -3.029 1.00 0.00 H new ATOM 566 N LYS A 37 -8.770 5.955 -4.338 1.00 0.00 N ATOM 567 CA LYS A 37 -9.945 6.072 -5.183 1.00 0.00 C ATOM 568 C LYS A 37 -11.061 6.785 -4.441 1.00 0.00 C ATOM 569 O LYS A 37 -11.637 6.242 -3.497 1.00 0.00 O ATOM 570 CB LYS A 37 -10.453 4.697 -5.603 1.00 0.00 C ATOM 571 CG LYS A 37 -9.433 3.851 -6.330 1.00 0.00 C ATOM 572 CD LYS A 37 -9.178 4.359 -7.737 1.00 0.00 C ATOM 573 CE LYS A 37 -8.507 3.297 -8.587 1.00 0.00 C ATOM 574 NZ LYS A 37 -7.177 2.893 -8.051 1.00 0.00 N ATOM 0 H LYS A 37 -8.943 5.482 -3.451 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.657 6.642 -6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.787 4.160 -4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.325 4.825 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.498 3.848 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.782 2.819 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.121 4.655 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.549 5.249 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.153 2.421 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.387 3.672 -9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.534 2.682 -8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.782 3.668 -7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.285 2.046 -7.457 1.00 0.00 H new ATOM 588 N MET A 38 -11.356 7.993 -4.860 1.00 0.00 N ATOM 589 CA MET A 38 -12.468 8.742 -4.293 1.00 0.00 C ATOM 590 C MET A 38 -13.701 8.555 -5.161 1.00 0.00 C ATOM 591 O MET A 38 -13.851 9.207 -6.194 1.00 0.00 O ATOM 592 CB MET A 38 -12.127 10.228 -4.187 1.00 0.00 C ATOM 593 CG MET A 38 -13.270 11.071 -3.635 1.00 0.00 C ATOM 594 SD MET A 38 -12.936 12.844 -3.684 1.00 0.00 S ATOM 595 CE MET A 38 -11.533 12.954 -2.579 1.00 0.00 C ATOM 0 H MET A 38 -10.844 8.485 -5.593 1.00 0.00 H new ATOM 0 HA MET A 38 -12.666 8.365 -3.289 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.254 10.348 -3.546 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.852 10.602 -5.173 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.175 10.863 -4.206 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.467 10.774 -2.605 1.00 0.00 H new ATOM 0 HE1 MET A 38 -11.364 13.996 -2.308 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.732 12.373 -1.679 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.647 12.560 -3.076 1.00 0.00 H new ATOM 605 N ILE A 39 -14.584 7.662 -4.744 1.00 0.00 N ATOM 606 CA ILE A 39 -15.769 7.358 -5.527 1.00 0.00 C ATOM 607 C ILE A 39 -17.020 7.872 -4.823 1.00 0.00 C ATOM 608 O ILE A 39 -17.694 7.136 -4.097 1.00 0.00 O ATOM 609 CB ILE A 39 -15.922 5.840 -5.777 1.00 0.00 C ATOM 610 CG1 ILE A 39 -14.569 5.183 -6.109 1.00 0.00 C ATOM 611 CG2 ILE A 39 -16.920 5.598 -6.903 1.00 0.00 C ATOM 612 CD1 ILE A 39 -13.960 5.629 -7.424 1.00 0.00 C ATOM 0 H ILE A 39 -14.503 7.138 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.650 7.857 -6.489 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.295 5.382 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.866 5.401 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.701 4.101 -6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.023 4.526 -7.074 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.888 6.016 -6.627 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.564 6.078 -7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.010 5.117 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.639 5.385 -8.241 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.792 6.706 -7.401 1.00 0.00 H new ATOM 624 N MET A 40 -17.326 9.140 -5.033 1.00 0.00 N ATOM 625 CA MET A 40 -18.544 9.721 -4.496 1.00 0.00 C ATOM 626 C MET A 40 -19.687 9.462 -5.458 1.00 0.00 C ATOM 627 O MET A 40 -19.989 10.278 -6.331 1.00 0.00 O ATOM 628 CB MET A 40 -18.384 11.215 -4.257 1.00 0.00 C ATOM 629 CG MET A 40 -17.360 11.554 -3.184 1.00 0.00 C ATOM 630 SD MET A 40 -17.219 13.327 -2.884 1.00 0.00 S ATOM 631 CE MET A 40 -16.048 13.344 -1.528 1.00 0.00 C ATOM 0 H MET A 40 -16.749 9.787 -5.571 1.00 0.00 H new ATOM 0 HA MET A 40 -18.760 9.254 -3.535 1.00 0.00 H new ATOM 0 HB2 MET A 40 -18.091 11.695 -5.191 1.00 0.00 H new ATOM 0 HB3 MET A 40 -19.349 11.634 -3.972 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.635 11.054 -2.255 1.00 0.00 H new ATOM 0 HG3 MET A 40 -16.387 11.162 -3.481 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.693 14.362 -1.366 1.00 0.00 H new ATOM 0 HE2 MET A 40 -16.534 12.981 -0.623 1.00 0.00 H new ATOM 0 HE3 MET A 40 -15.203 12.699 -1.769 1.00 0.00 H new ATOM 641 N ASP A 41 -20.291 8.303 -5.289 1.00 0.00 N ATOM 642 CA ASP A 41 -21.333 7.824 -6.184 1.00 0.00 C ATOM 643 C ASP A 41 -22.521 8.772 -6.183 1.00 0.00 C ATOM 644 O ASP A 41 -23.013 9.176 -5.130 1.00 0.00 O ATOM 645 CB ASP A 41 -21.798 6.433 -5.775 1.00 0.00 C ATOM 646 CG ASP A 41 -22.340 5.639 -6.944 1.00 0.00 C ATOM 647 OD1 ASP A 41 -21.950 4.464 -7.099 1.00 0.00 O ATOM 648 OD2 ASP A 41 -23.140 6.193 -7.728 1.00 0.00 O ATOM 0 H ASP A 41 -20.074 7.662 -4.525 1.00 0.00 H new ATOM 0 HA ASP A 41 -20.912 7.779 -7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -20.965 5.892 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.570 6.521 -5.010 1.00 0.00 H new ATOM 653 N THR A 42 -22.965 9.126 -7.366 1.00 0.00 N ATOM 654 CA THR A 42 -24.029 10.091 -7.521 1.00 0.00 C ATOM 655 C THR A 42 -25.362 9.412 -7.827 1.00 0.00 C ATOM 656 O THR A 42 -26.414 10.054 -7.806 1.00 0.00 O ATOM 657 CB THR A 42 -23.667 11.088 -8.636 1.00 0.00 C ATOM 658 OG1 THR A 42 -24.534 12.232 -8.602 1.00 0.00 O ATOM 659 CG2 THR A 42 -23.741 10.434 -10.010 1.00 0.00 C ATOM 0 H THR A 42 -22.602 8.756 -8.244 1.00 0.00 H new ATOM 0 HA THR A 42 -24.143 10.627 -6.579 1.00 0.00 H new ATOM 0 HB THR A 42 -22.641 11.412 -8.458 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.388 11.983 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.480 11.165 -10.775 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.043 9.598 -10.053 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.753 10.071 -10.186 1.00 0.00 H new ATOM 667 N ALA A 43 -25.327 8.112 -8.096 1.00 0.00 N ATOM 668 CA ALA A 43 -26.524 7.412 -8.541 1.00 0.00 C ATOM 669 C ALA A 43 -26.742 6.100 -7.796 1.00 0.00 C ATOM 670 O ALA A 43 -27.880 5.697 -7.559 1.00 0.00 O ATOM 671 CB ALA A 43 -26.454 7.162 -10.040 1.00 0.00 C ATOM 0 H ALA A 43 -24.494 7.529 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 43 -27.377 8.052 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -27.353 6.638 -10.364 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -26.380 8.115 -10.565 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -25.578 6.554 -10.267 1.00 0.00 H new ATOM 677 N GLY A 44 -25.659 5.435 -7.431 1.00 0.00 N ATOM 678 CA GLY A 44 -25.765 4.137 -6.802 1.00 0.00 C ATOM 679 C GLY A 44 -25.962 4.217 -5.302 1.00 0.00 C ATOM 680 O GLY A 44 -27.075 4.443 -4.823 1.00 0.00 O ATOM 0 H GLY A 44 -24.705 5.772 -7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -26.600 3.593 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -24.863 3.563 -7.014 1.00 0.00 H new ATOM 684 N ASN A 45 -24.884 4.029 -4.559 1.00 0.00 N ATOM 685 CA ASN A 45 -24.959 3.971 -3.103 1.00 0.00 C ATOM 686 C ASN A 45 -24.312 5.196 -2.476 1.00 0.00 C ATOM 687 O ASN A 45 -23.947 6.140 -3.179 1.00 0.00 O ATOM 688 CB ASN A 45 -24.280 2.699 -2.576 1.00 0.00 C ATOM 689 CG ASN A 45 -25.050 1.431 -2.898 1.00 0.00 C ATOM 690 OD1 ASN A 45 -25.766 1.356 -3.897 1.00 0.00 O ATOM 691 ND2 ASN A 45 -24.909 0.420 -2.057 1.00 0.00 N ATOM 0 H ASN A 45 -23.944 3.913 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 45 -26.013 3.952 -2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -23.279 2.626 -3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -24.161 2.780 -1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -25.402 -0.457 -2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -24.307 0.517 -1.239 1.00 0.00 H new ATOM 698 N ASP A 46 -24.176 5.174 -1.156 1.00 0.00 N ATOM 699 CA ASP A 46 -23.549 6.267 -0.426 1.00 0.00 C ATOM 700 C ASP A 46 -22.045 6.266 -0.705 1.00 0.00 C ATOM 701 O ASP A 46 -21.410 5.210 -0.666 1.00 0.00 O ATOM 702 CB ASP A 46 -23.833 6.110 1.073 1.00 0.00 C ATOM 703 CG ASP A 46 -23.409 7.308 1.897 1.00 0.00 C ATOM 704 OD1 ASP A 46 -24.029 8.384 1.763 1.00 0.00 O ATOM 705 OD2 ASP A 46 -22.480 7.174 2.713 1.00 0.00 O ATOM 0 H ASP A 46 -24.494 4.405 -0.566 1.00 0.00 H new ATOM 0 HA ASP A 46 -23.960 7.222 -0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -24.900 5.939 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -23.316 5.224 1.442 1.00 0.00 H new ATOM 710 N PRO A 47 -21.483 7.452 -1.025 1.00 0.00 N ATOM 711 CA PRO A 47 -20.078 7.624 -1.426 1.00 0.00 C ATOM 712 C PRO A 47 -19.091 6.739 -0.665 1.00 0.00 C ATOM 713 O PRO A 47 -19.113 6.662 0.566 1.00 0.00 O ATOM 714 CB PRO A 47 -19.825 9.096 -1.114 1.00 0.00 C ATOM 715 CG PRO A 47 -21.134 9.756 -1.376 1.00 0.00 C ATOM 716 CD PRO A 47 -22.199 8.743 -1.028 1.00 0.00 C ATOM 0 HA PRO A 47 -19.925 7.337 -2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -19.509 9.235 -0.080 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.038 9.507 -1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -21.243 10.657 -0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -21.214 10.060 -2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -22.646 8.953 -0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -23.008 8.748 -1.759 1.00 0.00 H new ATOM 724 N TYR A 48 -18.212 6.092 -1.417 1.00 0.00 N ATOM 725 CA TYR A 48 -17.257 5.151 -0.856 1.00 0.00 C ATOM 726 C TYR A 48 -15.853 5.427 -1.385 1.00 0.00 C ATOM 727 O TYR A 48 -15.675 6.172 -2.350 1.00 0.00 O ATOM 728 CB TYR A 48 -17.686 3.711 -1.169 1.00 0.00 C ATOM 729 CG TYR A 48 -18.229 3.516 -2.569 1.00 0.00 C ATOM 730 CD1 TYR A 48 -19.588 3.652 -2.825 1.00 0.00 C ATOM 731 CD2 TYR A 48 -17.393 3.193 -3.629 1.00 0.00 C ATOM 732 CE1 TYR A 48 -20.099 3.474 -4.096 1.00 0.00 C ATOM 733 CE2 TYR A 48 -17.895 3.015 -4.904 1.00 0.00 C ATOM 734 CZ TYR A 48 -19.248 3.154 -5.133 1.00 0.00 C ATOM 735 OH TYR A 48 -19.752 2.976 -6.404 1.00 0.00 O ATOM 0 H TYR A 48 -18.142 6.205 -2.428 1.00 0.00 H new ATOM 0 HA TYR A 48 -17.238 5.278 0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.831 3.050 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.447 3.406 -0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -20.257 3.902 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -16.333 3.079 -3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -21.158 3.585 -4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -17.230 2.768 -5.718 1.00 0.00 H new ATOM 0 HH TYR A 48 -20.576 3.496 -6.505 1.00 0.00 H new ATOM 745 N CYS A 49 -14.859 4.832 -0.747 1.00 0.00 N ATOM 746 CA CYS A 49 -13.472 5.065 -1.107 1.00 0.00 C ATOM 747 C CYS A 49 -12.690 3.761 -1.149 1.00 0.00 C ATOM 748 O CYS A 49 -12.912 2.858 -0.338 1.00 0.00 O ATOM 749 CB CYS A 49 -12.825 6.022 -0.102 1.00 0.00 C ATOM 750 SG CYS A 49 -11.148 6.538 -0.535 1.00 0.00 S ATOM 0 H CYS A 49 -14.989 4.181 0.027 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.451 5.511 -2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.452 6.909 -0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.803 5.542 0.876 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.008 6.520 -1.827 1.00 0.00 H new ATOM 756 N PHE A 50 -11.796 3.668 -2.120 1.00 0.00 N ATOM 757 CA PHE A 50 -10.842 2.576 -2.198 1.00 0.00 C ATOM 758 C PHE A 50 -9.455 3.118 -1.895 1.00 0.00 C ATOM 759 O PHE A 50 -9.114 4.217 -2.332 1.00 0.00 O ATOM 760 CB PHE A 50 -10.838 1.945 -3.591 1.00 0.00 C ATOM 761 CG PHE A 50 -12.099 1.217 -3.939 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.252 -0.115 -3.604 1.00 0.00 C ATOM 763 CD2 PHE A 50 -13.122 1.861 -4.612 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.404 -0.796 -3.933 1.00 0.00 C ATOM 765 CE2 PHE A 50 -14.281 1.186 -4.943 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.422 -0.145 -4.604 1.00 0.00 C ATOM 0 H PHE A 50 -11.712 4.348 -2.876 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.126 1.811 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.667 2.727 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.000 1.251 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.460 -0.628 -3.079 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -13.013 2.901 -4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.511 -1.837 -3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -15.075 1.698 -5.466 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.326 -0.676 -4.863 1.00 0.00 H new ATOM 776 N VAL A 51 -8.668 2.380 -1.141 1.00 0.00 N ATOM 777 CA VAL A 51 -7.299 2.787 -0.876 1.00 0.00 C ATOM 778 C VAL A 51 -6.356 1.590 -0.951 1.00 0.00 C ATOM 779 O VAL A 51 -6.431 0.659 -0.145 1.00 0.00 O ATOM 780 CB VAL A 51 -7.169 3.522 0.485 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.709 2.681 1.632 1.00 0.00 C ATOM 782 CG2 VAL A 51 -5.726 3.935 0.744 1.00 0.00 C ATOM 0 H VAL A 51 -8.947 1.502 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.010 3.497 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.777 4.425 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.600 3.229 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.763 2.464 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.151 1.747 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.661 4.448 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.092 3.049 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.391 4.604 -0.049 1.00 0.00 H new ATOM 792 N GLU A 52 -5.492 1.608 -1.955 1.00 0.00 N ATOM 793 CA GLU A 52 -4.548 0.524 -2.178 1.00 0.00 C ATOM 794 C GLU A 52 -3.284 0.732 -1.351 1.00 0.00 C ATOM 795 O GLU A 52 -2.574 1.724 -1.526 1.00 0.00 O ATOM 796 CB GLU A 52 -4.177 0.415 -3.665 1.00 0.00 C ATOM 797 CG GLU A 52 -5.300 -0.084 -4.573 1.00 0.00 C ATOM 798 CD GLU A 52 -6.340 0.973 -4.906 1.00 0.00 C ATOM 799 OE1 GLU A 52 -7.437 0.941 -4.316 1.00 0.00 O ATOM 800 OE2 GLU A 52 -6.072 1.820 -5.787 1.00 0.00 O ATOM 0 H GLU A 52 -5.426 2.368 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.030 -0.403 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.853 1.395 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.324 -0.257 -3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.865 -0.456 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.795 -0.927 -4.092 1.00 0.00 H new ATOM 807 N PHE A 53 -3.013 -0.196 -0.444 1.00 0.00 N ATOM 808 CA PHE A 53 -1.804 -0.148 0.371 1.00 0.00 C ATOM 809 C PHE A 53 -0.657 -0.887 -0.307 1.00 0.00 C ATOM 810 O PHE A 53 -0.873 -1.754 -1.152 1.00 0.00 O ATOM 811 CB PHE A 53 -2.056 -0.779 1.742 1.00 0.00 C ATOM 812 CG PHE A 53 -2.705 0.136 2.739 1.00 0.00 C ATOM 813 CD1 PHE A 53 -2.176 0.258 4.012 1.00 0.00 C ATOM 814 CD2 PHE A 53 -3.835 0.866 2.413 1.00 0.00 C ATOM 815 CE1 PHE A 53 -2.761 1.088 4.944 1.00 0.00 C ATOM 816 CE2 PHE A 53 -4.424 1.702 3.341 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.886 1.811 4.609 1.00 0.00 C ATOM 0 H PHE A 53 -3.617 -0.996 -0.252 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.533 0.901 0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.685 -1.659 1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.106 -1.124 2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.293 -0.304 4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.260 0.781 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.339 1.172 5.935 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.304 2.270 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.347 2.462 5.337 1.00 0.00 H new ATOM 827 N HIS A 54 0.564 -0.540 0.086 1.00 0.00 N ATOM 828 CA HIS A 54 1.758 -1.237 -0.388 1.00 0.00 C ATOM 829 C HIS A 54 1.963 -2.505 0.415 1.00 0.00 C ATOM 830 O HIS A 54 2.750 -3.375 0.044 1.00 0.00 O ATOM 831 CB HIS A 54 3.020 -0.394 -0.203 1.00 0.00 C ATOM 832 CG HIS A 54 3.144 0.801 -1.093 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.717 0.750 -2.339 1.00 0.00 N ATOM 834 CD2 HIS A 54 2.836 2.099 -0.879 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.761 1.961 -2.852 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.232 2.806 -1.987 1.00 0.00 N ATOM 0 H HIS A 54 0.755 0.224 0.735 1.00 0.00 H new ATOM 0 HA HIS A 54 1.602 -1.445 -1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.060 -0.057 0.833 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.888 -1.034 -0.363 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.364 2.506 0.003 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.163 2.220 -3.820 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.134 3.813 -2.119 1.00 0.00 H new ATOM 845 N GLU A 55 1.259 -2.589 1.527 1.00 0.00 N ATOM 846 CA GLU A 55 1.568 -3.575 2.533 1.00 0.00 C ATOM 847 C GLU A 55 0.291 -4.135 3.155 1.00 0.00 C ATOM 848 O GLU A 55 -0.546 -3.387 3.662 1.00 0.00 O ATOM 849 CB GLU A 55 2.455 -2.906 3.584 1.00 0.00 C ATOM 850 CG GLU A 55 3.498 -3.826 4.169 1.00 0.00 C ATOM 851 CD GLU A 55 2.878 -4.912 5.005 1.00 0.00 C ATOM 852 OE1 GLU A 55 2.651 -6.021 4.480 1.00 0.00 O ATOM 853 OE2 GLU A 55 2.575 -4.640 6.178 1.00 0.00 O ATOM 0 H GLU A 55 0.469 -1.984 1.753 1.00 0.00 H new ATOM 0 HA GLU A 55 2.095 -4.419 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.952 -2.047 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.826 -2.525 4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.080 -4.274 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.191 -3.248 4.780 1.00 0.00 H new ATOM 860 N HIS A 56 0.149 -5.455 3.104 1.00 0.00 N ATOM 861 CA HIS A 56 -1.059 -6.123 3.577 1.00 0.00 C ATOM 862 C HIS A 56 -1.088 -6.242 5.099 1.00 0.00 C ATOM 863 O HIS A 56 -2.152 -6.153 5.704 1.00 0.00 O ATOM 864 CB HIS A 56 -1.191 -7.513 2.944 1.00 0.00 C ATOM 865 CG HIS A 56 -2.438 -8.243 3.350 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.705 -7.729 3.159 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.612 -9.450 3.942 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.599 -8.586 3.611 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.965 -9.639 4.088 1.00 0.00 N ATOM 0 H HIS A 56 0.860 -6.087 2.737 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.905 -5.506 3.273 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.177 -7.412 1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.323 -8.112 3.220 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.833 -10.135 4.243 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.670 -8.449 3.594 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.407 -10.461 4.499 1.00 0.00 H new ATOM 878 N ARG A 57 0.070 -6.436 5.710 1.00 0.00 N ATOM 879 CA ARG A 57 0.141 -6.650 7.153 1.00 0.00 C ATOM 880 C ARG A 57 -0.255 -5.379 7.905 1.00 0.00 C ATOM 881 O ARG A 57 -0.847 -5.438 8.983 1.00 0.00 O ATOM 882 CB ARG A 57 1.548 -7.098 7.544 1.00 0.00 C ATOM 883 CG ARG A 57 1.706 -7.465 9.009 1.00 0.00 C ATOM 884 CD ARG A 57 3.111 -7.968 9.293 1.00 0.00 C ATOM 885 NE ARG A 57 3.448 -9.126 8.467 1.00 0.00 N ATOM 886 CZ ARG A 57 4.627 -9.302 7.871 1.00 0.00 C ATOM 887 NH1 ARG A 57 5.596 -8.400 8.011 1.00 0.00 N ATOM 888 NH2 ARG A 57 4.837 -10.381 7.127 1.00 0.00 N ATOM 0 H ARG A 57 0.972 -6.450 5.234 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.563 -7.435 7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.824 -7.959 6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.250 -6.299 7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.494 -6.595 9.631 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.980 -8.233 9.276 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.828 -7.168 9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.196 -8.235 10.346 1.00 0.00 H new ATOM 0 HE ARG A 57 2.736 -9.845 8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.439 -7.567 8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.495 -8.542 7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.097 -11.073 7.012 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.739 -10.518 6.670 1.00 0.00 H new ATOM 902 N HIS A 58 0.059 -4.231 7.324 1.00 0.00 N ATOM 903 CA HIS A 58 -0.346 -2.950 7.894 1.00 0.00 C ATOM 904 C HIS A 58 -1.811 -2.691 7.586 1.00 0.00 C ATOM 905 O HIS A 58 -2.528 -2.072 8.367 1.00 0.00 O ATOM 906 CB HIS A 58 0.516 -1.810 7.346 1.00 0.00 C ATOM 907 CG HIS A 58 1.884 -1.746 7.948 1.00 0.00 C ATOM 908 ND1 HIS A 58 2.979 -2.372 7.404 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.333 -1.110 9.051 1.00 0.00 C ATOM 910 CE1 HIS A 58 4.041 -2.117 8.141 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.677 -1.354 9.151 1.00 0.00 N ATOM 0 H HIS A 58 0.593 -4.158 6.458 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.206 -2.993 8.974 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.609 -1.924 6.266 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.006 -0.863 7.524 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.971 -2.945 6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.740 -0.517 9.731 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.042 -2.474 7.949 1.00 0.00 H new ATOM 920 N ALA A 59 -2.253 -3.202 6.447 1.00 0.00 N ATOM 921 CA ALA A 59 -3.642 -3.081 6.031 1.00 0.00 C ATOM 922 C ALA A 59 -4.556 -3.874 6.967 1.00 0.00 C ATOM 923 O ALA A 59 -5.751 -3.595 7.074 1.00 0.00 O ATOM 924 CB ALA A 59 -3.793 -3.559 4.596 1.00 0.00 C ATOM 0 H ALA A 59 -1.663 -3.710 5.788 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.937 -2.033 6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.835 -3.466 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.167 -2.952 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.486 -4.602 4.526 1.00 0.00 H new ATOM 930 N ALA A 60 -3.977 -4.863 7.636 1.00 0.00 N ATOM 931 CA ALA A 60 -4.691 -5.657 8.627 1.00 0.00 C ATOM 932 C ALA A 60 -5.030 -4.807 9.847 1.00 0.00 C ATOM 933 O ALA A 60 -6.139 -4.871 10.379 1.00 0.00 O ATOM 934 CB ALA A 60 -3.847 -6.852 9.035 1.00 0.00 C ATOM 0 H ALA A 60 -3.003 -5.136 7.507 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.623 -6.014 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.386 -7.442 9.776 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.642 -7.468 8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.906 -6.504 9.462 1.00 0.00 H new ATOM 940 N ALA A 61 -4.066 -3.998 10.273 1.00 0.00 N ATOM 941 CA ALA A 61 -4.261 -3.107 11.406 1.00 0.00 C ATOM 942 C ALA A 61 -5.244 -2.004 11.045 1.00 0.00 C ATOM 943 O ALA A 61 -6.046 -1.573 11.872 1.00 0.00 O ATOM 944 CB ALA A 61 -2.931 -2.516 11.848 1.00 0.00 C ATOM 0 H ALA A 61 -3.140 -3.943 9.848 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.675 -3.680 12.236 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.092 -1.851 12.697 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.255 -3.320 12.140 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.491 -1.953 11.025 1.00 0.00 H new ATOM 950 N ALA A 62 -5.188 -1.563 9.793 1.00 0.00 N ATOM 951 CA ALA A 62 -6.109 -0.550 9.295 1.00 0.00 C ATOM 952 C ALA A 62 -7.543 -1.057 9.359 1.00 0.00 C ATOM 953 O ALA A 62 -8.469 -0.298 9.628 1.00 0.00 O ATOM 954 CB ALA A 62 -5.749 -0.152 7.869 1.00 0.00 C ATOM 0 H ALA A 62 -4.512 -1.893 9.104 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.024 0.332 9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.448 0.605 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.737 0.251 7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.804 -1.027 7.222 1.00 0.00 H new ATOM 960 N LEU A 63 -7.715 -2.351 9.131 1.00 0.00 N ATOM 961 CA LEU A 63 -9.031 -2.969 9.161 1.00 0.00 C ATOM 962 C LEU A 63 -9.650 -2.838 10.554 1.00 0.00 C ATOM 963 O LEU A 63 -10.823 -2.497 10.695 1.00 0.00 O ATOM 964 CB LEU A 63 -8.910 -4.445 8.762 1.00 0.00 C ATOM 965 CG LEU A 63 -10.130 -5.066 8.066 1.00 0.00 C ATOM 966 CD1 LEU A 63 -11.325 -5.163 9.001 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.494 -4.271 6.827 1.00 0.00 C ATOM 0 H LEU A 63 -6.953 -2.996 8.922 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.684 -2.460 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.049 -4.551 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.697 -5.025 9.660 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.859 -6.080 7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.167 -5.607 8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.067 -5.785 9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.599 -4.166 9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.360 -4.724 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.731 -3.245 7.109 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.652 -4.271 6.134 1.00 0.00 H new ATOM 979 N ALA A 64 -8.845 -3.091 11.577 1.00 0.00 N ATOM 980 CA ALA A 64 -9.325 -3.084 12.953 1.00 0.00 C ATOM 981 C ALA A 64 -9.380 -1.672 13.539 1.00 0.00 C ATOM 982 O ALA A 64 -10.269 -1.353 14.331 1.00 0.00 O ATOM 983 CB ALA A 64 -8.441 -3.973 13.810 1.00 0.00 C ATOM 0 H ALA A 64 -7.852 -3.305 11.480 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.344 -3.471 12.949 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.804 -3.965 14.838 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.467 -4.992 13.424 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.417 -3.601 13.784 1.00 0.00 H new ATOM 989 N ALA A 65 -8.428 -0.830 13.154 1.00 0.00 N ATOM 990 CA ALA A 65 -8.300 0.499 13.745 1.00 0.00 C ATOM 991 C ALA A 65 -9.162 1.538 13.037 1.00 0.00 C ATOM 992 O ALA A 65 -9.659 2.472 13.668 1.00 0.00 O ATOM 993 CB ALA A 65 -6.843 0.940 13.747 1.00 0.00 C ATOM 0 H ALA A 65 -7.734 -1.042 12.437 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.660 0.427 14.771 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.764 1.933 14.191 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.250 0.234 14.329 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.470 0.969 12.723 1.00 0.00 H new ATOM 999 N MET A 66 -9.338 1.390 11.731 1.00 0.00 N ATOM 1000 CA MET A 66 -10.085 2.379 10.965 1.00 0.00 C ATOM 1001 C MET A 66 -11.572 2.054 10.970 1.00 0.00 C ATOM 1002 O MET A 66 -12.406 2.948 11.090 1.00 0.00 O ATOM 1003 CB MET A 66 -9.563 2.463 9.530 1.00 0.00 C ATOM 1004 CG MET A 66 -10.168 3.599 8.721 1.00 0.00 C ATOM 1005 SD MET A 66 -9.798 5.222 9.412 1.00 0.00 S ATOM 1006 CE MET A 66 -10.525 6.285 8.166 1.00 0.00 C ATOM 0 H MET A 66 -8.979 0.606 11.186 1.00 0.00 H new ATOM 0 HA MET A 66 -9.942 3.350 11.440 1.00 0.00 H new ATOM 0 HB2 MET A 66 -8.480 2.584 9.554 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.768 1.520 9.023 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.794 3.550 7.698 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.249 3.468 8.671 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.807 7.053 7.879 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.790 5.691 7.291 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.421 6.758 8.569 1.00 0.00 H new ATOM 1016 N ASN A 67 -11.910 0.777 10.852 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.307 0.373 10.919 1.00 0.00 C ATOM 1018 C ASN A 67 -13.774 0.442 12.362 1.00 0.00 C ATOM 1019 O ASN A 67 -13.348 -0.346 13.205 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.511 -1.038 10.360 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.972 -1.468 10.349 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.282 -2.645 10.517 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.883 -0.529 10.126 1.00 0.00 N ATOM 0 H ASN A 67 -11.248 0.014 10.712 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.897 1.054 10.305 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.118 -1.081 9.344 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.934 -1.746 10.955 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.872 -0.776 10.090 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -15.594 0.440 9.990 1.00 0.00 H new ATOM 1030 N GLY A 68 -14.640 1.400 12.640 1.00 0.00 N ATOM 1031 CA GLY A 68 -15.065 1.638 14.001 1.00 0.00 C ATOM 1032 C GLY A 68 -14.693 3.031 14.459 1.00 0.00 C ATOM 1033 O GLY A 68 -15.085 3.467 15.542 1.00 0.00 O ATOM 0 H GLY A 68 -15.058 2.019 11.946 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.144 1.505 14.075 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -14.607 0.902 14.661 1.00 0.00 H new ATOM 1037 N ARG A 69 -13.928 3.730 13.627 1.00 0.00 N ATOM 1038 CA ARG A 69 -13.563 5.112 13.895 1.00 0.00 C ATOM 1039 C ARG A 69 -14.795 5.993 13.704 1.00 0.00 C ATOM 1040 O ARG A 69 -15.798 5.545 13.142 1.00 0.00 O ATOM 1041 CB ARG A 69 -12.445 5.546 12.940 1.00 0.00 C ATOM 1042 CG ARG A 69 -11.644 6.750 13.405 1.00 0.00 C ATOM 1043 CD ARG A 69 -10.632 6.372 14.479 1.00 0.00 C ATOM 1044 NE ARG A 69 -11.266 6.032 15.753 1.00 0.00 N ATOM 1045 CZ ARG A 69 -10.971 4.949 16.473 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -10.107 4.050 16.012 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -11.561 4.759 17.645 1.00 0.00 N ATOM 0 H ARG A 69 -13.548 3.357 12.757 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.202 5.211 14.919 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.764 4.708 12.795 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.883 5.772 11.968 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.125 7.192 12.555 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.322 7.510 13.795 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.041 5.524 14.134 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.941 7.202 14.631 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.980 6.665 16.114 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.665 4.186 15.103 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.886 3.224 16.568 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.237 5.440 17.992 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.339 3.932 18.200 1.00 0.00 H new ATOM 1061 N LYS A 70 -14.750 7.227 14.168 1.00 0.00 N ATOM 1062 CA LYS A 70 -15.878 8.110 13.975 1.00 0.00 C ATOM 1063 C LYS A 70 -15.467 9.353 13.204 1.00 0.00 C ATOM 1064 O LYS A 70 -14.605 10.113 13.642 1.00 0.00 O ATOM 1065 CB LYS A 70 -16.526 8.487 15.304 1.00 0.00 C ATOM 1066 CG LYS A 70 -17.884 9.116 15.102 1.00 0.00 C ATOM 1067 CD LYS A 70 -18.655 9.251 16.393 1.00 0.00 C ATOM 1068 CE LYS A 70 -20.121 9.488 16.096 1.00 0.00 C ATOM 1069 NZ LYS A 70 -20.762 8.289 15.483 1.00 0.00 N ATOM 0 H LYS A 70 -13.961 7.633 14.671 1.00 0.00 H new ATOM 0 HA LYS A 70 -16.620 7.571 13.386 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.625 7.598 15.926 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.879 9.181 15.841 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.762 10.101 14.651 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.460 8.513 14.400 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.538 8.348 16.993 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.256 10.078 16.980 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.642 9.747 17.018 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.223 10.339 15.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.784 8.305 15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.603 8.298 14.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.346 7.427 15.890 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.093 9.545 12.052 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.769 10.654 11.166 1.00 0.00 C ATOM 1085 C ILE A 71 -17.043 11.270 10.607 1.00 0.00 C ATOM 1086 O ILE A 71 -17.829 10.588 9.948 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.867 10.208 9.986 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.529 9.667 10.498 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -14.640 11.364 9.018 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.626 9.144 9.398 1.00 0.00 C ATOM 0 H ILE A 71 -16.837 8.939 11.706 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.224 11.389 11.759 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.378 9.406 9.453 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.009 10.458 11.038 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.720 8.866 11.212 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -14.005 11.032 8.197 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.598 11.701 8.622 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -14.154 12.187 9.542 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.697 8.777 9.834 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.126 8.331 8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.405 9.948 8.696 1.00 0.00 H new ATOM 1102 N MET A 72 -17.252 12.550 10.910 1.00 0.00 N ATOM 1103 CA MET A 72 -18.394 13.312 10.396 1.00 0.00 C ATOM 1104 C MET A 72 -19.726 12.650 10.735 1.00 0.00 C ATOM 1105 O MET A 72 -20.687 12.737 9.972 1.00 0.00 O ATOM 1106 CB MET A 72 -18.279 13.515 8.884 1.00 0.00 C ATOM 1107 CG MET A 72 -17.142 14.438 8.484 1.00 0.00 C ATOM 1108 SD MET A 72 -17.207 16.029 9.332 1.00 0.00 S ATOM 1109 CE MET A 72 -18.846 16.597 8.885 1.00 0.00 C ATOM 0 H MET A 72 -16.636 13.090 11.518 1.00 0.00 H new ATOM 0 HA MET A 72 -18.372 14.284 10.888 1.00 0.00 H new ATOM 0 HB2 MET A 72 -18.137 12.546 8.405 1.00 0.00 H new ATOM 0 HB3 MET A 72 -19.217 13.922 8.507 1.00 0.00 H new ATOM 0 HG2 MET A 72 -16.191 13.953 8.703 1.00 0.00 H new ATOM 0 HG3 MET A 72 -17.175 14.603 7.407 1.00 0.00 H new ATOM 0 HE1 MET A 72 -18.835 17.680 8.761 1.00 0.00 H new ATOM 0 HE2 MET A 72 -19.151 16.128 7.949 1.00 0.00 H new ATOM 0 HE3 MET A 72 -19.551 16.329 9.672 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.770 11.994 11.886 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.999 11.394 12.371 1.00 0.00 C ATOM 1121 C GLY A 73 -21.500 10.242 11.517 1.00 0.00 C ATOM 1122 O GLY A 73 -22.682 9.903 11.566 1.00 0.00 O ATOM 0 H GLY A 73 -18.966 11.865 12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.841 11.037 13.389 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.772 12.161 12.419 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.619 9.638 10.732 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.994 8.491 9.914 1.00 0.00 C ATOM 1128 C LYS A 74 -20.121 7.287 10.254 1.00 0.00 C ATOM 1129 O LYS A 74 -18.966 7.444 10.662 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.888 8.834 8.420 1.00 0.00 C ATOM 1131 CG LYS A 74 -21.831 9.952 7.990 1.00 0.00 C ATOM 1132 CD LYS A 74 -21.805 10.182 6.484 1.00 0.00 C ATOM 1133 CE LYS A 74 -22.415 9.014 5.723 1.00 0.00 C ATOM 1134 NZ LYS A 74 -22.513 9.291 4.268 1.00 0.00 N ATOM 0 H LYS A 74 -19.643 9.921 10.644 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.031 8.236 10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.863 9.126 8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -21.103 7.941 7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.847 9.707 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.555 10.874 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.351 11.095 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.776 10.331 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.810 8.121 5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.408 8.801 6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.383 8.407 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.449 9.689 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.776 9.971 3.994 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.693 6.095 10.129 1.00 0.00 N ATOM 1149 CA GLU A 75 -19.969 4.860 10.391 1.00 0.00 C ATOM 1150 C GLU A 75 -19.005 4.553 9.265 1.00 0.00 C ATOM 1151 O GLU A 75 -19.414 4.177 8.169 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.925 3.680 10.550 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.618 3.596 11.895 1.00 0.00 C ATOM 1154 CD GLU A 75 -22.392 2.303 12.045 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -23.601 2.353 12.348 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -21.792 1.226 11.834 1.00 0.00 O ATOM 0 H GLU A 75 -21.663 5.959 9.846 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.417 5.004 11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -21.684 3.739 9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -20.370 2.757 10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.878 3.672 12.691 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -22.296 4.442 12.009 1.00 0.00 H new ATOM 1163 N VAL A 76 -17.729 4.691 9.544 1.00 0.00 N ATOM 1164 CA VAL A 76 -16.706 4.346 8.583 1.00 0.00 C ATOM 1165 C VAL A 76 -16.585 2.829 8.476 1.00 0.00 C ATOM 1166 O VAL A 76 -16.117 2.144 9.394 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.354 4.964 8.975 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.431 6.479 8.909 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -14.967 4.514 10.366 1.00 0.00 C ATOM 0 H VAL A 76 -17.373 5.042 10.433 1.00 0.00 H new ATOM 0 HA VAL A 76 -16.993 4.750 7.612 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.592 4.627 8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.467 6.905 9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.683 6.787 7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.198 6.835 9.597 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.008 4.955 10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.728 4.834 11.077 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.885 3.427 10.387 1.00 0.00 H new ATOM 1179 N LYS A 77 -17.042 2.292 7.372 1.00 0.00 N ATOM 1180 CA LYS A 77 -17.049 0.857 7.190 1.00 0.00 C ATOM 1181 C LYS A 77 -15.913 0.430 6.289 1.00 0.00 C ATOM 1182 O LYS A 77 -15.916 0.706 5.093 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.396 0.418 6.638 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.534 0.702 7.602 1.00 0.00 C ATOM 1185 CD LYS A 77 -19.630 -0.362 8.683 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.075 -0.779 8.930 1.00 0.00 C ATOM 1187 NZ LYS A 77 -21.960 0.370 9.275 1.00 0.00 N ATOM 0 H LYS A 77 -17.414 2.824 6.585 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.899 0.370 8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.585 0.932 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.366 -0.649 6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.386 1.678 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.474 0.749 7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -19.044 -1.233 8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.197 0.018 9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.462 -1.274 8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.104 -1.509 9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.933 0.029 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.621 0.819 10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.945 1.064 8.501 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.930 -0.221 6.890 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.716 -0.598 6.192 1.00 0.00 C ATOM 1203 C VAL A 78 -13.585 -2.113 6.123 1.00 0.00 C ATOM 1204 O VAL A 78 -13.494 -2.782 7.152 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.465 -0.019 6.891 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.213 -0.282 6.067 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.629 1.470 7.154 1.00 0.00 C ATOM 0 H VAL A 78 -14.953 -0.501 7.871 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.782 -0.189 5.184 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.355 -0.524 7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.346 0.135 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.079 -1.356 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.316 0.187 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.735 1.853 7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.775 1.993 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.495 1.633 7.796 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.597 -2.649 4.917 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.360 -4.069 4.715 1.00 0.00 C ATOM 1219 C ASN A 79 -12.283 -4.249 3.659 1.00 0.00 C ATOM 1220 O ASN A 79 -12.030 -3.348 2.865 1.00 0.00 O ATOM 1221 CB ASN A 79 -14.643 -4.805 4.294 1.00 0.00 C ATOM 1222 CG ASN A 79 -15.101 -4.459 2.886 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -14.659 -5.069 1.912 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.015 -3.509 2.770 1.00 0.00 N ATOM 0 H ASN A 79 -13.768 -2.123 4.060 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.032 -4.501 5.660 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -14.475 -5.880 4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.440 -4.563 4.997 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.378 -3.260 1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -16.357 -3.026 3.601 1.00 0.00 H new ATOM 1231 N TRP A 80 -11.639 -5.401 3.662 1.00 0.00 N ATOM 1232 CA TRP A 80 -10.586 -5.678 2.701 1.00 0.00 C ATOM 1233 C TRP A 80 -11.177 -6.222 1.404 1.00 0.00 C ATOM 1234 O TRP A 80 -11.588 -7.379 1.324 1.00 0.00 O ATOM 1235 CB TRP A 80 -9.535 -6.632 3.299 1.00 0.00 C ATOM 1236 CG TRP A 80 -10.107 -7.770 4.102 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -10.591 -7.707 5.379 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -10.229 -9.138 3.696 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -11.020 -8.947 5.783 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -10.805 -9.843 4.770 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -9.914 -9.835 2.530 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -11.072 -11.209 4.710 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -10.178 -11.192 2.472 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -10.751 -11.866 3.557 1.00 0.00 C ATOM 0 H TRP A 80 -11.826 -6.160 4.318 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.075 -4.745 2.464 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -8.933 -7.043 2.488 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -8.862 -6.057 3.936 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -10.630 -6.812 5.982 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -11.432 -9.165 6.690 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -9.472 -9.325 1.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -11.517 -11.729 5.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -9.938 -11.741 1.574 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -10.943 -12.926 3.481 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.238 -5.361 0.398 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.832 -5.715 -0.882 1.00 0.00 C ATOM 1257 C ALA A 81 -10.832 -6.472 -1.749 1.00 0.00 C ATOM 1258 O ALA A 81 -10.006 -5.866 -2.437 1.00 0.00 O ATOM 1259 CB ALA A 81 -12.325 -4.464 -1.600 1.00 0.00 C ATOM 0 H ALA A 81 -10.881 -4.407 0.445 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.685 -6.368 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.767 -4.744 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.074 -3.964 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.487 -3.789 -1.771 1.00 0.00 H new ATOM 1265 N THR A 82 -10.908 -7.794 -1.703 1.00 0.00 N ATOM 1266 CA THR A 82 -10.002 -8.643 -2.459 1.00 0.00 C ATOM 1267 C THR A 82 -10.279 -8.580 -3.952 1.00 0.00 C ATOM 1268 O THR A 82 -11.410 -8.337 -4.382 1.00 0.00 O ATOM 1269 CB THR A 82 -10.098 -10.117 -2.016 1.00 0.00 C ATOM 1270 OG1 THR A 82 -11.471 -10.496 -1.844 1.00 0.00 O ATOM 1271 CG2 THR A 82 -9.333 -10.360 -0.728 1.00 0.00 C ATOM 0 H THR A 82 -11.593 -8.304 -1.146 1.00 0.00 H new ATOM 0 HA THR A 82 -9.001 -8.262 -2.257 1.00 0.00 H new ATOM 0 HB THR A 82 -9.649 -10.728 -2.799 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.519 -11.434 -1.564 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.422 -11.409 -0.444 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.282 -10.112 -0.877 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.745 -9.734 0.064 1.00 0.00 H new ATOM 1279 N THR A 83 -9.232 -8.779 -4.733 1.00 0.00 N ATOM 1280 CA THR A 83 -9.372 -8.975 -6.155 1.00 0.00 C ATOM 1281 C THR A 83 -9.317 -10.467 -6.466 1.00 0.00 C ATOM 1282 O THR A 83 -8.253 -11.083 -6.435 1.00 0.00 O ATOM 1283 CB THR A 83 -8.269 -8.223 -6.921 1.00 0.00 C ATOM 1284 OG1 THR A 83 -7.032 -8.303 -6.201 1.00 0.00 O ATOM 1285 CG2 THR A 83 -8.649 -6.765 -7.124 1.00 0.00 C ATOM 0 H THR A 83 -8.269 -8.808 -4.397 1.00 0.00 H new ATOM 0 HA THR A 83 -10.333 -8.575 -6.477 1.00 0.00 H new ATOM 0 HB THR A 83 -8.152 -8.691 -7.899 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.861 -9.234 -5.946 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.854 -6.254 -7.668 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.575 -6.707 -7.696 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.790 -6.287 -6.154 1.00 0.00 H new ATOM 1293 N PRO A 84 -10.477 -11.075 -6.751 1.00 0.00 N ATOM 1294 CA PRO A 84 -10.595 -12.520 -6.955 1.00 0.00 C ATOM 1295 C PRO A 84 -10.139 -12.953 -8.345 1.00 0.00 C ATOM 1296 O PRO A 84 -10.675 -13.909 -8.909 1.00 0.00 O ATOM 1297 CB PRO A 84 -12.100 -12.793 -6.787 1.00 0.00 C ATOM 1298 CG PRO A 84 -12.729 -11.478 -6.434 1.00 0.00 C ATOM 1299 CD PRO A 84 -11.775 -10.414 -6.891 1.00 0.00 C ATOM 0 HA PRO A 84 -9.965 -13.073 -6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -12.527 -13.194 -7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.276 -13.531 -6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.697 -11.367 -6.923 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.904 -11.407 -5.360 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.967 -10.111 -7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -11.842 -9.517 -6.276 1.00 0.00 H new ATOM 1307 N SER A 85 -9.141 -12.246 -8.877 1.00 0.00 N ATOM 1308 CA SER A 85 -8.629 -12.468 -10.229 1.00 0.00 C ATOM 1309 C SER A 85 -9.763 -12.580 -11.247 1.00 0.00 C ATOM 1310 O SER A 85 -9.706 -13.381 -12.180 1.00 0.00 O ATOM 1311 CB SER A 85 -7.703 -13.695 -10.273 1.00 0.00 C ATOM 1312 OG SER A 85 -8.284 -14.831 -9.649 1.00 0.00 O ATOM 0 H SER A 85 -8.662 -11.497 -8.377 1.00 0.00 H new ATOM 0 HA SER A 85 -8.036 -11.597 -10.507 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.468 -13.933 -11.310 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.761 -13.454 -9.780 1.00 0.00 H new ATOM 0 HG SER A 85 -9.261 -14.755 -9.675 1.00 0.00 H new ATOM 1318 N SER A 86 -10.785 -11.751 -11.071 1.00 0.00 N ATOM 1319 CA SER A 86 -11.926 -11.747 -11.966 1.00 0.00 C ATOM 1320 C SER A 86 -11.726 -10.679 -13.032 1.00 0.00 C ATOM 1321 O SER A 86 -12.321 -9.600 -12.980 1.00 0.00 O ATOM 1322 CB SER A 86 -13.219 -11.500 -11.180 1.00 0.00 C ATOM 1323 OG SER A 86 -14.364 -11.698 -11.994 1.00 0.00 O ATOM 0 H SER A 86 -10.843 -11.072 -10.312 1.00 0.00 H new ATOM 0 HA SER A 86 -12.011 -12.719 -12.452 1.00 0.00 H new ATOM 0 HB2 SER A 86 -13.260 -12.172 -10.322 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.220 -10.483 -10.789 1.00 0.00 H new ATOM 0 HG SER A 86 -15.173 -11.535 -11.466 1.00 0.00 H new ATOM 1329 N GLN A 87 -10.852 -10.975 -13.979 1.00 0.00 N ATOM 1330 CA GLN A 87 -10.528 -10.036 -15.033 1.00 0.00 C ATOM 1331 C GLN A 87 -11.392 -10.295 -16.254 1.00 0.00 C ATOM 1332 O GLN A 87 -11.308 -11.357 -16.866 1.00 0.00 O ATOM 1333 CB GLN A 87 -9.051 -10.148 -15.413 1.00 0.00 C ATOM 1334 CG GLN A 87 -8.106 -10.005 -14.233 1.00 0.00 C ATOM 1335 CD GLN A 87 -6.652 -10.166 -14.623 1.00 0.00 C ATOM 1336 OE1 GLN A 87 -5.967 -9.193 -14.937 1.00 0.00 O ATOM 1337 NE2 GLN A 87 -6.181 -11.402 -14.635 1.00 0.00 N ATOM 0 H GLN A 87 -10.353 -11.863 -14.037 1.00 0.00 H new ATOM 0 HA GLN A 87 -10.723 -9.028 -14.666 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.880 -11.113 -15.890 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.815 -9.381 -16.151 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.249 -9.026 -13.776 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.360 -10.749 -13.478 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.784 -12.180 -14.367 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.215 -11.577 -14.912 1.00 0.00 H new ATOM 1346 N LYS A 88 -12.232 -9.333 -16.596 1.00 0.00 N ATOM 1347 CA LYS A 88 -13.027 -9.417 -17.813 1.00 0.00 C ATOM 1348 C LYS A 88 -12.277 -8.757 -18.966 1.00 0.00 C ATOM 1349 O LYS A 88 -12.785 -7.854 -19.629 1.00 0.00 O ATOM 1350 CB LYS A 88 -14.403 -8.771 -17.605 1.00 0.00 C ATOM 1351 CG LYS A 88 -14.347 -7.422 -16.903 1.00 0.00 C ATOM 1352 CD LYS A 88 -15.726 -6.799 -16.762 1.00 0.00 C ATOM 1353 CE LYS A 88 -16.693 -7.710 -16.016 1.00 0.00 C ATOM 1354 NZ LYS A 88 -16.166 -8.137 -14.689 1.00 0.00 N ATOM 0 H LYS A 88 -12.382 -8.485 -16.050 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.189 -10.466 -18.061 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.886 -8.646 -18.574 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.028 -9.448 -17.022 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.901 -7.545 -15.916 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -13.700 -6.748 -17.463 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.642 -5.850 -16.233 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.127 -6.578 -17.751 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.642 -7.191 -15.877 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -16.898 -8.592 -16.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -16.915 -8.626 -14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.362 -8.782 -14.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.852 -7.302 -14.155 1.00 0.00 H new ATOM 1368 N LYS A 89 -11.053 -9.217 -19.183 1.00 0.00 N ATOM 1369 CA LYS A 89 -10.201 -8.679 -20.232 1.00 0.00 C ATOM 1370 C LYS A 89 -10.226 -9.607 -21.442 1.00 0.00 C ATOM 1371 O LYS A 89 -9.944 -9.195 -22.569 1.00 0.00 O ATOM 1372 CB LYS A 89 -8.776 -8.499 -19.693 1.00 0.00 C ATOM 1373 CG LYS A 89 -7.805 -7.857 -20.673 1.00 0.00 C ATOM 1374 CD LYS A 89 -6.509 -7.449 -19.983 1.00 0.00 C ATOM 1375 CE LYS A 89 -5.813 -8.634 -19.332 1.00 0.00 C ATOM 1376 NZ LYS A 89 -4.565 -8.228 -18.639 1.00 0.00 N ATOM 0 H LYS A 89 -10.626 -9.968 -18.641 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.571 -7.704 -20.548 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.817 -7.889 -18.790 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.386 -9.474 -19.401 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.585 -8.556 -21.480 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.269 -6.981 -21.127 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.840 -6.990 -20.711 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.723 -6.694 -19.227 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.489 -9.105 -18.618 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.581 -9.381 -20.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.120 -9.063 -18.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.910 -7.802 -19.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.790 -7.534 -17.898 1.00 0.00 H new ATOM 1390 N ASP A 90 -10.565 -10.865 -21.187 1.00 0.00 N ATOM 1391 CA ASP A 90 -10.755 -11.856 -22.240 1.00 0.00 C ATOM 1392 C ASP A 90 -11.830 -11.400 -23.220 1.00 0.00 C ATOM 1393 O ASP A 90 -12.963 -11.112 -22.827 1.00 0.00 O ATOM 1394 CB ASP A 90 -11.149 -13.204 -21.632 1.00 0.00 C ATOM 1395 CG ASP A 90 -11.469 -14.243 -22.686 1.00 0.00 C ATOM 1396 OD1 ASP A 90 -12.660 -14.415 -23.015 1.00 0.00 O ATOM 1397 OD2 ASP A 90 -10.533 -14.894 -23.189 1.00 0.00 O ATOM 0 H ASP A 90 -10.716 -11.227 -20.245 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.814 -11.967 -22.779 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.336 -13.567 -21.003 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.016 -13.068 -20.985 1.00 0.00 H new ATOM 1402 N THR A 91 -11.471 -11.330 -24.487 1.00 0.00 N ATOM 1403 CA THR A 91 -12.385 -10.873 -25.511 1.00 0.00 C ATOM 1404 C THR A 91 -13.305 -12.003 -25.959 1.00 0.00 C ATOM 1405 O THR A 91 -12.866 -12.965 -26.589 1.00 0.00 O ATOM 1406 CB THR A 91 -11.615 -10.326 -26.723 1.00 0.00 C ATOM 1407 OG1 THR A 91 -10.623 -9.390 -26.280 1.00 0.00 O ATOM 1408 CG2 THR A 91 -12.558 -9.646 -27.704 1.00 0.00 C ATOM 0 H THR A 91 -10.546 -11.586 -24.832 1.00 0.00 H new ATOM 0 HA THR A 91 -12.989 -10.073 -25.083 1.00 0.00 H new ATOM 0 HB THR A 91 -11.133 -11.161 -27.231 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.132 -9.043 -27.054 1.00 0.00 H new ATOM 0 HG21 THR A 91 -11.989 -9.267 -28.553 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.298 -10.365 -28.055 1.00 0.00 H new ATOM 0 HG23 THR A 91 -13.064 -8.818 -27.208 1.00 0.00 H new ATOM 1416 N SER A 92 -14.574 -11.890 -25.606 1.00 0.00 N ATOM 1417 CA SER A 92 -15.580 -12.842 -26.029 1.00 0.00 C ATOM 1418 C SER A 92 -16.851 -12.106 -26.428 1.00 0.00 C ATOM 1419 O SER A 92 -17.221 -12.158 -27.619 1.00 0.00 O ATOM 1420 CB SER A 92 -15.866 -13.857 -24.921 1.00 0.00 C ATOM 1421 OG SER A 92 -14.730 -14.671 -24.675 1.00 0.00 O ATOM 1422 OXT SER A 92 -17.451 -11.441 -25.562 1.00 0.00 O ATOM 0 H SER A 92 -14.933 -11.137 -25.019 1.00 0.00 H new ATOM 0 HA SER A 92 -15.205 -13.389 -26.894 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.149 -13.334 -24.007 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.712 -14.483 -25.205 1.00 0.00 H new ATOM 0 HG SER A 92 -14.171 -14.254 -23.987 1.00 0.00 H new TER 1428 SER A 92