USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 972 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 116 SER OG : rot 141:sc= 0.965 USER MOD Set 1.2: A 118 THR OG1 : rot -40:sc= 0.546 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -0.29 K(o=-0.79,f=-7.4!) USER MOD Set 2.2: A 100 MET CE :methyl 168:sc= -0.486 (180deg=-0.0254) USER MOD Set 2.3: A 112 MET CE :methyl -101:sc= -0.0109 (180deg=0) USER MOD Set 3.1: A 68 MET CE :methyl -159:sc= -0.0679 (180deg=0) USER MOD Set 3.2: A 107 MET CE :methyl 175:sc= -0.147 (180deg=-0.203) USER MOD Set 4.1: A 66 LYS NZ :NH3+ -109:sc= 0.526 (180deg=-0.188) USER MOD Set 4.2: A 70 MET CE :methyl 153:sc= -1.02 (180deg=-2.18!) USER MOD Set 5.1: A 22 GLN :FLIP amide:sc= -0.213 F(o=-1.7,f=-0.53) USER MOD Set 5.2: A 34 LYS NZ :NH3+ -170:sc= -0.318 (180deg=-0.471) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= 0.203 F(o=-1.4!,f=0.2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 83:sc= 1.25 USER MOD Single : A 21 HIS : no HD1:sc= -0.0636 K(o=-0.064,f=-0.6) USER MOD Single : A 23 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.8!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0592 USER MOD Single : A 35 TYR OH : rot -120:sc= 0.0275 USER MOD Single : A 40 LYS NZ :NH3+ -106:sc= -0.497 (180deg=-2.5!) USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= 0.99 (180deg=0.367) USER MOD Single : A 44 THR OG1 : rot 78:sc= 0.428 USER MOD Single : A 56 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0319 X(o=-0.032,f=-0.12) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0145) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.05 F(o=-3.4!,f=-1.1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.388 K(o=-0.39,f=-5.8!) USER MOD Single : A 77 THR OG1 : rot -150:sc= -1.63 USER MOD Single : A 78 LYS NZ :NH3+ -137:sc= -0.401 (180deg=-2.27!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.341 K(o=0.34,f=-0.21) USER MOD Single : A 84 MET CE :methyl -170:sc= -5.11! (180deg=-5.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 90:sc= 1.13 USER MOD Single : A 101 THR OG1 : rot -18:sc= 0.7 USER MOD Single : A 113 THR OG1 : rot -120:sc= -0.304 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -11.503 0.002 2.137 1.00 0.00 N ATOM 72 CA GLU A 5 -10.100 -0.210 2.618 1.00 0.00 C ATOM 73 C GLU A 5 -9.305 1.117 2.588 1.00 0.00 C ATOM 74 O GLU A 5 -8.567 1.427 3.520 1.00 0.00 O ATOM 75 CB GLU A 5 -9.334 -1.288 1.787 1.00 0.00 C ATOM 76 CG GLU A 5 -9.824 -2.741 1.957 1.00 0.00 C ATOM 77 CD GLU A 5 -11.176 -3.010 1.278 1.00 0.00 C ATOM 78 OE1 GLU A 5 -12.223 -2.749 1.894 1.00 0.00 O ATOM 79 OE2 GLU A 5 -11.199 -3.459 0.118 1.00 0.00 O ATOM 0 HA GLU A 5 -10.180 -0.573 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.403 -1.023 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.279 -1.246 2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.077 -3.420 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.908 -2.967 3.020 1.00 0.00 H new ATOM 86 N LYS A 6 -9.424 1.804 1.438 1.00 0.00 N ATOM 87 CA LYS A 6 -8.931 3.210 1.279 1.00 0.00 C ATOM 88 C LYS A 6 -9.293 4.079 2.528 1.00 0.00 C ATOM 89 O LYS A 6 -8.439 4.740 3.124 1.00 0.00 O ATOM 90 CB LYS A 6 -9.592 3.867 0.036 1.00 0.00 C ATOM 91 CG LYS A 6 -9.498 3.067 -1.282 1.00 0.00 C ATOM 92 CD LYS A 6 -10.361 3.683 -2.419 1.00 0.00 C ATOM 93 CE LYS A 6 -11.830 3.896 -1.997 1.00 0.00 C ATOM 94 NZ LYS A 6 -12.679 4.382 -3.107 1.00 0.00 N ATOM 0 H LYS A 6 -9.855 1.420 0.597 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.848 3.166 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.645 4.041 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.134 4.843 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.457 3.025 -1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.818 2.041 -1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.931 4.638 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.328 3.029 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.235 2.957 -1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.868 4.612 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.654 4.508 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.312 5.292 -3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.668 3.688 -3.882 1.00 0.00 H new ATOM 108 N ASN A 7 -10.592 4.009 2.884 1.00 0.00 N ATOM 109 CA ASN A 7 -11.162 4.767 4.031 1.00 0.00 C ATOM 110 C ASN A 7 -10.557 4.297 5.378 1.00 0.00 C ATOM 111 O ASN A 7 -10.368 5.107 6.275 1.00 0.00 O ATOM 112 CB ASN A 7 -12.710 4.616 4.019 1.00 0.00 C ATOM 113 CG ASN A 7 -13.429 5.163 5.249 1.00 0.00 C ATOM 114 OD1 ASN A 7 -13.700 4.292 6.209 1.00 0.00 O flip ATOM 115 ND2 ASN A 7 -13.774 6.339 5.317 1.00 0.00 N flip ATOM 0 H ASN A 7 -11.275 3.432 2.393 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.905 5.821 3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.101 5.121 3.136 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.954 3.559 3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.548 6.982 4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.287 6.674 6.133 1.00 0.00 H new ATOM 122 N GLU A 8 -10.275 2.978 5.490 1.00 0.00 N ATOM 123 CA GLU A 8 -9.589 2.392 6.673 1.00 0.00 C ATOM 124 C GLU A 8 -8.152 2.935 6.827 1.00 0.00 C ATOM 125 O GLU A 8 -7.732 3.287 7.940 1.00 0.00 O ATOM 126 CB GLU A 8 -9.583 0.828 6.638 1.00 0.00 C ATOM 127 CG GLU A 8 -10.829 0.151 7.257 1.00 0.00 C ATOM 128 CD GLU A 8 -12.135 0.377 6.479 1.00 0.00 C ATOM 129 OE1 GLU A 8 -12.813 1.412 6.701 1.00 0.00 O ATOM 130 OE2 GLU A 8 -12.500 -0.494 5.661 1.00 0.00 O ATOM 0 H GLU A 8 -10.512 2.293 4.772 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.165 2.701 7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.490 0.504 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.697 0.472 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.645 -0.921 7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.959 0.521 8.274 1.00 0.00 H new ATOM 137 N ILE A 9 -7.385 2.975 5.722 1.00 0.00 N ATOM 138 CA ILE A 9 -6.018 3.527 5.718 1.00 0.00 C ATOM 139 C ILE A 9 -6.018 5.027 6.084 1.00 0.00 C ATOM 140 O ILE A 9 -5.178 5.469 6.866 1.00 0.00 O ATOM 141 CB ILE A 9 -5.314 3.284 4.322 1.00 0.00 C ATOM 142 CG1 ILE A 9 -5.295 1.752 3.961 1.00 0.00 C ATOM 143 CG2 ILE A 9 -3.882 3.884 4.292 1.00 0.00 C ATOM 144 CD1 ILE A 9 -4.577 0.851 4.964 1.00 0.00 C ATOM 0 H ILE A 9 -7.692 2.628 4.813 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.445 3.000 6.481 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.900 3.803 3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.324 1.407 3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.822 1.632 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.430 3.698 3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.934 4.958 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.276 3.418 5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.622 -0.183 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.535 1.160 5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.061 0.932 5.937 1.00 0.00 H new ATOM 156 N LYS A 10 -6.987 5.780 5.534 1.00 0.00 N ATOM 157 CA LYS A 10 -7.183 7.214 5.854 1.00 0.00 C ATOM 158 C LYS A 10 -7.468 7.395 7.362 1.00 0.00 C ATOM 159 O LYS A 10 -6.916 8.272 8.013 1.00 0.00 O ATOM 160 CB LYS A 10 -8.365 7.804 5.032 1.00 0.00 C ATOM 161 CG LYS A 10 -8.723 9.266 5.413 1.00 0.00 C ATOM 162 CD LYS A 10 -10.066 9.750 4.836 1.00 0.00 C ATOM 163 CE LYS A 10 -10.471 11.130 5.397 1.00 0.00 C ATOM 164 NZ LYS A 10 -11.800 11.569 4.912 1.00 0.00 N ATOM 0 H LYS A 10 -7.657 5.417 4.856 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.268 7.745 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.114 7.765 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.244 7.175 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.754 9.351 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.930 9.927 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.995 9.807 3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.844 9.022 5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.481 11.088 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.721 11.869 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.027 12.500 5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.786 11.636 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.521 10.880 5.205 1.00 0.00 H new ATOM 178 N ARG A 11 -8.404 6.575 7.834 1.00 0.00 N ATOM 179 CA ARG A 11 -8.838 6.485 9.242 1.00 0.00 C ATOM 180 C ARG A 11 -7.651 6.412 10.235 1.00 0.00 C ATOM 181 O ARG A 11 -7.527 7.274 11.115 1.00 0.00 O ATOM 182 CB ARG A 11 -9.761 5.253 9.374 1.00 0.00 C ATOM 183 CG ARG A 11 -10.368 4.996 10.765 1.00 0.00 C ATOM 184 CD ARG A 11 -11.193 3.684 10.817 1.00 0.00 C ATOM 185 NE ARG A 11 -12.146 3.529 9.693 1.00 0.00 N ATOM 186 CZ ARG A 11 -13.465 3.319 9.813 1.00 0.00 C ATOM 187 NH1 ARG A 11 -14.074 3.434 10.986 1.00 0.00 N ATOM 188 NH2 ARG A 11 -14.177 2.995 8.744 1.00 0.00 N ATOM 0 H ARG A 11 -8.906 5.926 7.229 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.376 7.396 9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.577 5.360 8.660 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.195 4.369 9.080 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.568 4.949 11.504 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.007 5.835 11.040 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.508 2.836 10.820 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.745 3.651 11.756 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.767 3.587 8.748 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.538 3.686 11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.078 3.270 11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.722 2.906 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.181 2.834 8.829 1.00 0.00 H new ATOM 202 N LEU A 12 -6.790 5.383 10.093 1.00 0.00 N ATOM 203 CA LEU A 12 -5.622 5.203 10.992 1.00 0.00 C ATOM 204 C LEU A 12 -4.574 6.341 10.823 1.00 0.00 C ATOM 205 O LEU A 12 -3.918 6.733 11.798 1.00 0.00 O ATOM 206 CB LEU A 12 -4.992 3.779 10.809 1.00 0.00 C ATOM 207 CG LEU A 12 -4.418 3.420 9.384 1.00 0.00 C ATOM 208 CD1 LEU A 12 -2.915 3.763 9.244 1.00 0.00 C ATOM 209 CD2 LEU A 12 -4.695 1.945 9.010 1.00 0.00 C ATOM 0 H LEU A 12 -6.877 4.667 9.372 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.979 5.272 12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.186 3.671 11.535 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.751 3.039 11.063 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.952 4.049 8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.572 3.495 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.769 4.831 9.404 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.344 3.204 9.985 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.284 1.737 8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.226 1.289 9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.770 1.768 9.001 1.00 0.00 H new ATOM 221 N SER A 13 -4.369 6.784 9.559 1.00 0.00 N ATOM 222 CA SER A 13 -3.548 7.993 9.262 1.00 0.00 C ATOM 223 C SER A 13 -3.980 9.202 10.135 1.00 0.00 C ATOM 224 O SER A 13 -3.151 9.814 10.805 1.00 0.00 O ATOM 225 CB SER A 13 -3.656 8.368 7.767 1.00 0.00 C ATOM 226 OG SER A 13 -3.228 7.308 6.937 1.00 0.00 O ATOM 0 H SER A 13 -4.756 6.329 8.732 1.00 0.00 H new ATOM 0 HA SER A 13 -2.512 7.750 9.500 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.688 8.625 7.528 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.053 9.254 7.568 1.00 0.00 H new ATOM 0 HG SER A 13 -3.961 6.668 6.820 1.00 0.00 H new ATOM 232 N ASP A 14 -5.285 9.524 10.071 1.00 0.00 N ATOM 233 CA ASP A 14 -5.925 10.610 10.865 1.00 0.00 C ATOM 234 C ASP A 14 -5.701 10.424 12.395 1.00 0.00 C ATOM 235 O ASP A 14 -5.487 11.389 13.129 1.00 0.00 O ATOM 236 CB ASP A 14 -7.451 10.624 10.556 1.00 0.00 C ATOM 237 CG ASP A 14 -8.205 11.755 11.279 1.00 0.00 C ATOM 238 OD1 ASP A 14 -8.163 12.910 10.807 1.00 0.00 O ATOM 239 OD2 ASP A 14 -8.836 11.491 12.325 1.00 0.00 O ATOM 0 H ASP A 14 -5.940 9.036 9.461 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.466 11.557 10.582 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.597 10.728 9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.883 9.666 10.845 1.00 0.00 H new ATOM 244 N ARG A 15 -5.841 9.157 12.814 1.00 0.00 N ATOM 245 CA ARG A 15 -5.601 8.723 14.223 1.00 0.00 C ATOM 246 C ARG A 15 -4.208 9.214 14.713 1.00 0.00 C ATOM 247 O ARG A 15 -4.101 10.015 15.665 1.00 0.00 O ATOM 248 CB ARG A 15 -5.730 7.175 14.364 1.00 0.00 C ATOM 249 CG ARG A 15 -5.735 6.639 15.816 1.00 0.00 C ATOM 250 CD ARG A 15 -6.891 7.200 16.664 1.00 0.00 C ATOM 251 NE ARG A 15 -6.960 6.545 17.990 1.00 0.00 N ATOM 252 CZ ARG A 15 -7.255 7.146 19.150 1.00 0.00 C ATOM 253 NH1 ARG A 15 -7.486 8.439 19.214 1.00 0.00 N ATOM 254 NH2 ARG A 15 -7.329 6.429 20.254 1.00 0.00 N ATOM 0 H ARG A 15 -6.123 8.396 12.196 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.366 9.176 14.854 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.651 6.858 13.875 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.906 6.708 13.825 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.803 5.551 15.795 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.788 6.890 16.293 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.760 8.274 16.794 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.834 7.056 16.136 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.765 5.544 18.023 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.442 9.007 18.368 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.709 8.874 20.110 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.162 5.423 20.221 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.553 6.880 21.141 1.00 0.00 H new ATOM 268 N LEU A 16 -3.161 8.781 13.984 1.00 0.00 N ATOM 269 CA LEU A 16 -1.761 9.124 14.324 1.00 0.00 C ATOM 270 C LEU A 16 -1.528 10.649 14.148 1.00 0.00 C ATOM 271 O LEU A 16 -0.822 11.257 14.946 1.00 0.00 O ATOM 272 CB LEU A 16 -0.768 8.271 13.454 1.00 0.00 C ATOM 273 CG LEU A 16 0.745 8.168 13.923 1.00 0.00 C ATOM 274 CD1 LEU A 16 1.566 9.446 13.635 1.00 0.00 C ATOM 275 CD2 LEU A 16 0.854 7.768 15.414 1.00 0.00 C ATOM 0 H LEU A 16 -3.255 8.193 13.156 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.570 8.882 15.369 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.166 7.258 13.391 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.776 8.680 12.444 1.00 0.00 H new ATOM 0 HG LEU A 16 1.186 7.375 13.319 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.590 9.306 13.981 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.569 9.643 12.563 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.119 10.291 14.158 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.904 7.708 15.699 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.354 8.516 16.029 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.380 6.798 15.566 1.00 0.00 H new ATOM 287 N ASP A 17 -2.100 11.233 13.078 1.00 0.00 N ATOM 288 CA ASP A 17 -1.987 12.683 12.771 1.00 0.00 C ATOM 289 C ASP A 17 -2.495 13.583 13.927 1.00 0.00 C ATOM 290 O ASP A 17 -1.791 14.494 14.368 1.00 0.00 O ATOM 291 CB ASP A 17 -2.770 12.991 11.473 1.00 0.00 C ATOM 292 CG ASP A 17 -2.658 14.452 11.013 1.00 0.00 C ATOM 293 OD1 ASP A 17 -1.670 14.784 10.321 1.00 0.00 O ATOM 294 OD2 ASP A 17 -3.558 15.264 11.322 1.00 0.00 O ATOM 0 H ASP A 17 -2.656 10.716 12.397 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.929 12.911 12.640 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.406 12.341 10.677 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.821 12.748 11.628 1.00 0.00 H new ATOM 299 N ALA A 18 -3.745 13.372 14.362 1.00 0.00 N ATOM 300 CA ALA A 18 -4.315 14.014 15.562 1.00 0.00 C ATOM 301 C ALA A 18 -3.449 13.802 16.818 1.00 0.00 C ATOM 302 O ALA A 18 -3.357 14.699 17.659 1.00 0.00 O ATOM 303 CB ALA A 18 -5.743 13.504 15.800 1.00 0.00 C ATOM 0 H ALA A 18 -4.397 12.746 13.889 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.337 15.088 15.375 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.157 13.982 16.688 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.363 13.743 14.936 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.724 12.424 15.946 1.00 0.00 H new ATOM 309 N ILE A 19 -2.785 12.626 16.911 1.00 0.00 N ATOM 310 CA ILE A 19 -1.929 12.303 18.080 1.00 0.00 C ATOM 311 C ILE A 19 -0.608 13.111 18.041 1.00 0.00 C ATOM 312 O ILE A 19 -0.207 13.672 19.072 1.00 0.00 O ATOM 313 CB ILE A 19 -1.675 10.748 18.247 1.00 0.00 C ATOM 314 CG1 ILE A 19 -3.009 10.045 18.671 1.00 0.00 C ATOM 315 CG2 ILE A 19 -0.533 10.431 19.264 1.00 0.00 C ATOM 316 CD1 ILE A 19 -2.923 8.539 18.846 1.00 0.00 C ATOM 0 H ILE A 19 -2.823 11.894 16.202 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.479 12.608 18.971 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.344 10.359 17.284 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.349 10.484 19.609 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.770 10.264 17.922 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.402 9.352 19.339 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.396 10.886 18.921 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.795 10.834 20.242 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.898 8.151 19.140 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.618 8.080 17.906 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.191 8.304 19.619 1.00 0.00 H new ATOM 328 N ARG A 20 0.066 13.203 16.872 1.00 0.00 N ATOM 329 CA ARG A 20 1.310 13.981 16.712 1.00 0.00 C ATOM 330 C ARG A 20 1.067 15.495 16.905 1.00 0.00 C ATOM 331 O ARG A 20 1.928 16.176 17.461 1.00 0.00 O ATOM 332 CB ARG A 20 1.980 13.714 15.325 1.00 0.00 C ATOM 333 CG ARG A 20 1.202 14.288 14.127 1.00 0.00 C ATOM 334 CD ARG A 20 1.905 14.149 12.769 1.00 0.00 C ATOM 335 NE ARG A 20 1.129 14.839 11.712 1.00 0.00 N ATOM 336 CZ ARG A 20 1.387 16.062 11.223 1.00 0.00 C ATOM 337 NH1 ARG A 20 2.419 16.777 11.653 1.00 0.00 N ATOM 338 NH2 ARG A 20 0.599 16.572 10.291 1.00 0.00 N ATOM 0 H ARG A 20 -0.239 12.740 16.016 1.00 0.00 H new ATOM 0 HA ARG A 20 1.992 13.645 17.493 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.983 14.141 15.331 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.092 12.638 15.189 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.234 13.791 14.070 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.008 15.344 14.312 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.908 14.571 12.827 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.017 13.095 12.517 1.00 0.00 H new ATOM 0 HE ARG A 20 0.329 14.341 11.322 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.037 16.399 12.371 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.594 17.704 11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.199 16.036 9.949 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.789 17.501 9.915 1.00 0.00 H new ATOM 352 N HIS A 21 -0.104 16.029 16.451 1.00 0.00 N ATOM 353 CA HIS A 21 -0.479 17.449 16.631 1.00 0.00 C ATOM 354 C HIS A 21 -0.752 17.743 18.102 1.00 0.00 C ATOM 355 O HIS A 21 -0.408 18.805 18.618 1.00 0.00 O ATOM 356 CB HIS A 21 -1.755 17.765 15.795 1.00 0.00 C ATOM 357 CG HIS A 21 -2.047 19.242 15.633 1.00 0.00 C ATOM 358 ND1 HIS A 21 -2.392 20.065 16.683 1.00 0.00 N ATOM 359 CD2 HIS A 21 -2.007 20.044 14.539 1.00 0.00 C ATOM 360 CE1 HIS A 21 -2.552 21.295 16.243 1.00 0.00 C ATOM 361 NE2 HIS A 21 -2.323 21.316 14.950 1.00 0.00 N ATOM 0 H HIS A 21 -0.807 15.483 15.953 1.00 0.00 H new ATOM 0 HA HIS A 21 0.347 18.074 16.291 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -1.647 17.318 14.807 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.613 17.287 16.269 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -1.770 19.738 13.531 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.827 22.148 16.846 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -2.372 22.140 14.351 1.00 0.00 H new ATOM 370 N GLN A 22 -1.414 16.777 18.734 1.00 0.00 N ATOM 371 CA GLN A 22 -1.690 16.790 20.173 1.00 0.00 C ATOM 372 C GLN A 22 -0.376 16.923 20.969 1.00 0.00 C ATOM 373 O GLN A 22 -0.274 17.765 21.852 1.00 0.00 O ATOM 374 CB GLN A 22 -2.472 15.512 20.552 1.00 0.00 C ATOM 375 CG GLN A 22 -2.683 15.271 22.053 1.00 0.00 C ATOM 376 CD GLN A 22 -3.494 14.007 22.371 1.00 0.00 C ATOM 377 OE1 GLN A 22 -3.361 12.972 21.548 1.00 0.00 O flip ATOM 378 NE2 GLN A 22 -4.203 13.947 23.379 1.00 0.00 N flip ATOM 0 H GLN A 22 -1.779 15.952 18.258 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.305 17.653 20.427 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.449 15.552 20.070 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.946 14.652 20.137 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.710 15.199 22.540 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.191 16.135 22.482 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.286 14.757 23.993 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.706 13.087 23.598 1.00 0.00 H new ATOM 387 N GLN A 23 0.642 16.144 20.570 1.00 0.00 N ATOM 388 CA GLN A 23 1.952 16.147 21.253 1.00 0.00 C ATOM 389 C GLN A 23 2.823 17.324 20.792 1.00 0.00 C ATOM 390 O GLN A 23 3.844 17.615 21.416 1.00 0.00 O ATOM 391 CB GLN A 23 2.674 14.808 21.018 1.00 0.00 C ATOM 392 CG GLN A 23 1.923 13.614 21.608 1.00 0.00 C ATOM 393 CD GLN A 23 2.601 12.284 21.329 1.00 0.00 C ATOM 394 OE1 GLN A 23 2.335 11.653 20.317 1.00 0.00 O ATOM 395 NE2 GLN A 23 3.455 11.833 22.240 1.00 0.00 N ATOM 0 H GLN A 23 0.586 15.503 19.778 1.00 0.00 H new ATOM 0 HA GLN A 23 1.777 16.270 22.322 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.805 14.655 19.947 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.671 14.857 21.457 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.830 13.748 22.686 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.912 13.592 21.201 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.652 12.388 23.073 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.914 10.932 22.107 1.00 0.00 H new ATOM 404 N ALA A 24 2.453 17.936 19.652 1.00 0.00 N ATOM 405 CA ALA A 24 3.016 19.232 19.230 1.00 0.00 C ATOM 406 C ALA A 24 2.650 20.323 20.248 1.00 0.00 C ATOM 407 O ALA A 24 3.537 20.992 20.780 1.00 0.00 O ATOM 408 CB ALA A 24 2.556 19.621 17.808 1.00 0.00 C ATOM 0 H ALA A 24 1.764 17.552 19.005 1.00 0.00 H new ATOM 0 HA ALA A 24 4.101 19.134 19.197 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.992 20.582 17.534 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.882 18.860 17.099 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.469 19.697 17.785 1.00 0.00 H new ATOM 414 N ASP A 25 1.336 20.484 20.523 1.00 0.00 N ATOM 415 CA ASP A 25 0.858 21.427 21.567 1.00 0.00 C ATOM 416 C ASP A 25 1.301 21.008 22.984 1.00 0.00 C ATOM 417 O ASP A 25 1.423 21.855 23.870 1.00 0.00 O ATOM 418 CB ASP A 25 -0.690 21.513 21.531 1.00 0.00 C ATOM 419 CG ASP A 25 -1.222 22.080 20.212 1.00 0.00 C ATOM 420 OD1 ASP A 25 -1.241 23.318 20.043 1.00 0.00 O ATOM 421 OD2 ASP A 25 -1.606 21.295 19.324 1.00 0.00 O ATOM 0 H ASP A 25 0.591 19.979 20.043 1.00 0.00 H new ATOM 0 HA ASP A 25 1.302 22.398 21.347 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.108 20.519 21.689 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.034 22.138 22.355 1.00 0.00 H new ATOM 426 N LEU A 26 1.517 19.698 23.180 1.00 0.00 N ATOM 427 CA LEU A 26 1.929 19.187 24.510 1.00 0.00 C ATOM 428 C LEU A 26 3.457 19.091 24.630 1.00 0.00 C ATOM 429 O LEU A 26 4.181 19.092 23.634 1.00 0.00 O ATOM 430 CB LEU A 26 1.271 17.826 24.849 1.00 0.00 C ATOM 431 CG LEU A 26 -0.292 17.819 24.971 1.00 0.00 C ATOM 432 CD1 LEU A 26 -0.800 16.500 25.579 1.00 0.00 C ATOM 433 CD2 LEU A 26 -0.829 19.035 25.760 1.00 0.00 C ATOM 0 H LEU A 26 1.418 18.984 22.459 1.00 0.00 H new ATOM 0 HA LEU A 26 1.573 19.913 25.240 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.557 17.107 24.081 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.689 17.469 25.790 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.683 17.900 23.957 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.887 16.527 25.650 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.499 15.667 24.944 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.374 16.370 26.574 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.916 18.982 25.815 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.414 19.027 26.768 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.536 19.955 25.254 1.00 0.00 H new ATOM 445 N SER A 27 3.915 19.025 25.877 1.00 0.00 N ATOM 446 CA SER A 27 5.326 18.888 26.232 1.00 0.00 C ATOM 447 C SER A 27 5.447 17.835 27.333 1.00 0.00 C ATOM 448 O SER A 27 4.479 17.567 28.043 1.00 0.00 O ATOM 449 CB SER A 27 5.886 20.242 26.729 1.00 0.00 C ATOM 450 OG SER A 27 7.267 20.159 27.047 1.00 0.00 O ATOM 0 H SER A 27 3.300 19.066 26.690 1.00 0.00 H new ATOM 0 HA SER A 27 5.900 18.582 25.358 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.735 21.001 25.961 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.329 20.564 27.609 1.00 0.00 H new ATOM 0 HG SER A 27 7.585 21.033 27.355 1.00 0.00 H new ATOM 456 N LEU A 28 6.641 17.258 27.470 1.00 0.00 N ATOM 457 CA LEU A 28 6.984 16.363 28.587 1.00 0.00 C ATOM 458 C LEU A 28 7.034 17.161 29.909 1.00 0.00 C ATOM 459 O LEU A 28 6.741 16.636 30.983 1.00 0.00 O ATOM 460 CB LEU A 28 8.340 15.667 28.259 1.00 0.00 C ATOM 461 CG LEU A 28 8.920 14.652 29.318 1.00 0.00 C ATOM 462 CD1 LEU A 28 9.723 13.516 28.638 1.00 0.00 C ATOM 463 CD2 LEU A 28 9.805 15.355 30.379 1.00 0.00 C ATOM 0 H LEU A 28 7.405 17.396 26.808 1.00 0.00 H new ATOM 0 HA LEU A 28 6.224 15.593 28.716 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.224 15.136 27.314 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.086 16.445 28.098 1.00 0.00 H new ATOM 0 HG LEU A 28 8.059 14.218 29.826 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.107 12.836 29.399 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.072 12.968 27.957 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.556 13.943 28.079 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.181 14.616 31.086 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.644 15.846 29.886 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.213 16.098 30.912 1.00 0.00 H new ATOM 475 N VAL A 29 7.410 18.443 29.800 1.00 0.00 N ATOM 476 CA VAL A 29 7.602 19.341 30.955 1.00 0.00 C ATOM 477 C VAL A 29 6.258 19.681 31.641 1.00 0.00 C ATOM 478 O VAL A 29 6.127 19.532 32.860 1.00 0.00 O ATOM 479 CB VAL A 29 8.357 20.653 30.518 1.00 0.00 C ATOM 480 CG1 VAL A 29 8.665 21.574 31.729 1.00 0.00 C ATOM 481 CG2 VAL A 29 9.650 20.294 29.737 1.00 0.00 C ATOM 0 H VAL A 29 7.592 18.892 28.902 1.00 0.00 H new ATOM 0 HA VAL A 29 8.217 18.815 31.685 1.00 0.00 H new ATOM 0 HB VAL A 29 7.698 21.215 29.856 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.186 22.467 31.384 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.732 21.863 32.213 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.294 21.040 32.442 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.162 21.209 29.441 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.306 19.701 30.373 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.390 19.720 28.848 1.00 0.00 H new ATOM 491 N GLU A 30 5.248 20.086 30.843 1.00 0.00 N ATOM 492 CA GLU A 30 3.938 20.531 31.390 1.00 0.00 C ATOM 493 C GLU A 30 2.884 19.408 31.340 1.00 0.00 C ATOM 494 O GLU A 30 1.826 19.512 31.974 1.00 0.00 O ATOM 495 CB GLU A 30 3.454 21.824 30.672 1.00 0.00 C ATOM 496 CG GLU A 30 3.262 21.731 29.139 1.00 0.00 C ATOM 497 CD GLU A 30 1.926 21.112 28.682 1.00 0.00 C ATOM 498 OE1 GLU A 30 0.863 21.549 29.176 1.00 0.00 O ATOM 499 OE2 GLU A 30 1.934 20.227 27.806 1.00 0.00 O ATOM 0 H GLU A 30 5.308 20.116 29.825 1.00 0.00 H new ATOM 0 HA GLU A 30 4.078 20.772 32.444 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.506 22.127 31.117 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.172 22.618 30.879 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.343 22.733 28.717 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.079 21.142 28.722 1.00 0.00 H new ATOM 506 N ALA A 31 3.181 18.342 30.588 1.00 0.00 N ATOM 507 CA ALA A 31 2.321 17.157 30.498 1.00 0.00 C ATOM 508 C ALA A 31 3.197 15.905 30.581 1.00 0.00 C ATOM 509 O ALA A 31 3.400 15.230 29.592 1.00 0.00 O ATOM 510 CB ALA A 31 1.476 17.192 29.203 1.00 0.00 C ATOM 0 H ALA A 31 4.028 18.277 30.023 1.00 0.00 H new ATOM 0 HA ALA A 31 1.616 17.143 31.329 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.845 16.304 29.156 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.849 18.083 29.202 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.138 17.213 28.337 1.00 0.00 H new ATOM 516 N ALA A 32 3.759 15.639 31.773 1.00 0.00 N ATOM 517 CA ALA A 32 4.664 14.494 32.000 1.00 0.00 C ATOM 518 C ALA A 32 3.965 13.164 31.665 1.00 0.00 C ATOM 519 O ALA A 32 4.382 12.454 30.742 1.00 0.00 O ATOM 520 CB ALA A 32 5.192 14.505 33.449 1.00 0.00 C ATOM 0 H ALA A 32 3.601 16.208 32.605 1.00 0.00 H new ATOM 0 HA ALA A 32 5.518 14.590 31.330 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.857 13.655 33.600 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.739 15.430 33.630 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.354 14.437 34.142 1.00 0.00 H new ATOM 526 N ASP A 33 2.893 12.872 32.416 1.00 0.00 N ATOM 527 CA ASP A 33 2.112 11.634 32.249 1.00 0.00 C ATOM 528 C ASP A 33 1.426 11.609 30.868 1.00 0.00 C ATOM 529 O ASP A 33 1.652 10.685 30.100 1.00 0.00 O ATOM 530 CB ASP A 33 1.056 11.476 33.370 1.00 0.00 C ATOM 531 CG ASP A 33 0.191 10.210 33.190 1.00 0.00 C ATOM 532 OD1 ASP A 33 0.684 9.102 33.468 1.00 0.00 O ATOM 533 OD2 ASP A 33 -0.984 10.319 32.770 1.00 0.00 O ATOM 0 H ASP A 33 2.543 13.483 33.154 1.00 0.00 H new ATOM 0 HA ASP A 33 2.805 10.795 32.316 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.559 11.435 34.336 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.411 12.354 33.384 1.00 0.00 H new ATOM 538 N LYS A 34 0.559 12.622 30.612 1.00 0.00 N ATOM 539 CA LYS A 34 -0.185 12.783 29.334 1.00 0.00 C ATOM 540 C LYS A 34 0.702 12.503 28.095 1.00 0.00 C ATOM 541 O LYS A 34 0.379 11.620 27.302 1.00 0.00 O ATOM 542 CB LYS A 34 -0.828 14.223 29.267 1.00 0.00 C ATOM 543 CG LYS A 34 -2.293 14.294 28.733 1.00 0.00 C ATOM 544 CD LYS A 34 -2.475 13.660 27.334 1.00 0.00 C ATOM 545 CE LYS A 34 -3.897 13.806 26.774 1.00 0.00 C ATOM 546 NZ LYS A 34 -4.261 15.223 26.527 1.00 0.00 N ATOM 0 H LYS A 34 0.355 13.355 31.291 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.980 12.038 29.314 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.805 14.656 30.267 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.201 14.850 28.634 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.953 13.790 29.439 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.606 15.337 28.693 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.771 14.121 26.641 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.222 12.601 27.388 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.978 13.245 25.843 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.608 13.367 27.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.277 15.288 26.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.048 15.789 27.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.713 15.587 25.721 1.00 0.00 H new ATOM 560 N TYR A 35 1.836 13.211 27.993 1.00 0.00 N ATOM 561 CA TYR A 35 2.752 13.095 26.839 1.00 0.00 C ATOM 562 C TYR A 35 3.404 11.699 26.809 1.00 0.00 C ATOM 563 O TYR A 35 3.594 11.148 25.736 1.00 0.00 O ATOM 564 CB TYR A 35 3.833 14.202 26.887 1.00 0.00 C ATOM 565 CG TYR A 35 4.912 14.132 25.792 1.00 0.00 C ATOM 566 CD1 TYR A 35 4.637 14.541 24.489 1.00 0.00 C ATOM 567 CD2 TYR A 35 6.204 13.652 26.065 1.00 0.00 C ATOM 568 CE1 TYR A 35 5.597 14.465 23.502 1.00 0.00 C ATOM 569 CE2 TYR A 35 7.163 13.572 25.076 1.00 0.00 C ATOM 570 CZ TYR A 35 6.857 13.983 23.802 1.00 0.00 C ATOM 571 OH TYR A 35 7.806 13.883 22.808 1.00 0.00 O ATOM 0 H TYR A 35 2.146 13.877 28.700 1.00 0.00 H new ATOM 0 HA TYR A 35 2.173 13.225 25.925 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.337 15.171 26.821 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.325 14.161 27.859 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.656 14.924 24.248 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.451 13.339 27.069 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.365 14.782 22.496 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.147 13.189 25.302 1.00 0.00 H new ATOM 0 HH TYR A 35 8.087 12.949 22.716 1.00 0.00 H new ATOM 581 N ALA A 36 3.732 11.163 28.001 1.00 0.00 N ATOM 582 CA ALA A 36 4.381 9.839 28.136 1.00 0.00 C ATOM 583 C ALA A 36 3.482 8.714 27.588 1.00 0.00 C ATOM 584 O ALA A 36 3.939 7.865 26.809 1.00 0.00 O ATOM 585 CB ALA A 36 4.765 9.563 29.592 1.00 0.00 C ATOM 0 H ALA A 36 3.558 11.629 28.892 1.00 0.00 H new ATOM 0 HA ALA A 36 5.293 9.858 27.539 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.240 8.584 29.664 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.459 10.329 29.937 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.870 9.578 30.214 1.00 0.00 H new ATOM 591 N GLU A 37 2.202 8.726 28.005 1.00 0.00 N ATOM 592 CA GLU A 37 1.153 7.831 27.501 1.00 0.00 C ATOM 593 C GLU A 37 1.088 7.933 25.973 1.00 0.00 C ATOM 594 O GLU A 37 1.247 6.960 25.297 1.00 0.00 O ATOM 595 CB GLU A 37 -0.228 8.215 28.122 1.00 0.00 C ATOM 596 CG GLU A 37 -0.307 8.153 29.664 1.00 0.00 C ATOM 597 CD GLU A 37 -0.180 6.726 30.222 1.00 0.00 C ATOM 598 OE1 GLU A 37 -1.140 5.939 30.078 1.00 0.00 O ATOM 599 OE2 GLU A 37 0.868 6.382 30.797 1.00 0.00 O ATOM 0 H GLU A 37 1.865 9.374 28.717 1.00 0.00 H new ATOM 0 HA GLU A 37 1.389 6.806 27.786 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.481 9.226 27.803 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.988 7.552 27.710 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.484 8.773 30.087 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.255 8.580 29.990 1.00 0.00 H new ATOM 606 N LEU A 38 0.844 9.150 25.510 1.00 0.00 N ATOM 607 CA LEU A 38 0.776 9.479 24.061 1.00 0.00 C ATOM 608 C LEU A 38 1.984 8.918 23.243 1.00 0.00 C ATOM 609 O LEU A 38 1.797 8.456 22.127 1.00 0.00 O ATOM 610 CB LEU A 38 0.626 10.988 23.862 1.00 0.00 C ATOM 611 CG LEU A 38 -0.687 11.610 24.405 1.00 0.00 C ATOM 612 CD1 LEU A 38 -0.660 13.134 24.240 1.00 0.00 C ATOM 613 CD2 LEU A 38 -1.939 10.973 23.751 1.00 0.00 C ATOM 0 H LEU A 38 0.684 9.954 26.118 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.109 8.980 23.667 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.468 11.485 24.343 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.695 11.204 22.796 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.755 11.390 25.470 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.587 13.558 24.625 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.184 13.545 24.793 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.558 13.384 23.184 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.838 11.436 24.158 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.906 11.131 22.673 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.955 9.904 23.961 1.00 0.00 H new ATOM 625 N GLU A 39 3.205 9.031 23.801 1.00 0.00 N ATOM 626 CA GLU A 39 4.439 8.393 23.256 1.00 0.00 C ATOM 627 C GLU A 39 4.321 6.852 23.165 1.00 0.00 C ATOM 628 O GLU A 39 4.829 6.240 22.228 1.00 0.00 O ATOM 629 CB GLU A 39 5.668 8.772 24.135 1.00 0.00 C ATOM 630 CG GLU A 39 6.131 10.238 24.024 1.00 0.00 C ATOM 631 CD GLU A 39 6.798 10.584 22.678 1.00 0.00 C ATOM 632 OE1 GLU A 39 6.087 10.811 21.680 1.00 0.00 O ATOM 633 OE2 GLU A 39 8.041 10.645 22.615 1.00 0.00 O ATOM 0 H GLU A 39 3.374 9.570 24.650 1.00 0.00 H new ATOM 0 HA GLU A 39 4.572 8.771 22.242 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.427 8.562 25.177 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.501 8.124 23.864 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.271 10.892 24.171 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.833 10.449 24.831 1.00 0.00 H new ATOM 640 N LYS A 40 3.676 6.260 24.169 1.00 0.00 N ATOM 641 CA LYS A 40 3.455 4.788 24.231 1.00 0.00 C ATOM 642 C LYS A 40 2.369 4.356 23.214 1.00 0.00 C ATOM 643 O LYS A 40 2.551 3.393 22.479 1.00 0.00 O ATOM 644 CB LYS A 40 3.057 4.318 25.645 1.00 0.00 C ATOM 645 CG LYS A 40 4.076 4.624 26.758 1.00 0.00 C ATOM 646 CD LYS A 40 3.750 3.923 28.104 1.00 0.00 C ATOM 647 CE LYS A 40 2.374 4.296 28.707 1.00 0.00 C ATOM 648 NZ LYS A 40 1.206 3.673 28.009 1.00 0.00 N ATOM 0 H LYS A 40 3.289 6.769 24.964 1.00 0.00 H new ATOM 0 HA LYS A 40 4.403 4.315 23.975 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.107 4.782 25.909 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.889 3.241 25.617 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.068 4.315 26.427 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.115 5.701 26.918 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.786 2.844 27.955 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.528 4.171 28.826 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.357 3.998 29.755 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.261 5.380 28.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.715 4.394 27.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.540 2.911 27.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.549 3.281 28.714 1.00 0.00 H new ATOM 662 N GLU A 41 1.226 5.059 23.264 1.00 0.00 N ATOM 663 CA GLU A 41 0.101 4.867 22.320 1.00 0.00 C ATOM 664 C GLU A 41 0.570 5.007 20.862 1.00 0.00 C ATOM 665 O GLU A 41 0.132 4.266 19.985 1.00 0.00 O ATOM 666 CB GLU A 41 -1.048 5.883 22.598 1.00 0.00 C ATOM 667 CG GLU A 41 -1.501 6.006 24.077 1.00 0.00 C ATOM 668 CD GLU A 41 -1.569 4.672 24.854 1.00 0.00 C ATOM 669 OE1 GLU A 41 -2.546 3.914 24.675 1.00 0.00 O ATOM 670 OE2 GLU A 41 -0.645 4.385 25.666 1.00 0.00 O ATOM 0 H GLU A 41 1.050 5.782 23.962 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.278 3.857 22.473 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.729 6.866 22.253 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.911 5.599 21.996 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.816 6.677 24.596 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.485 6.474 24.102 1.00 0.00 H new ATOM 677 N LYS A 42 1.461 5.980 20.654 1.00 0.00 N ATOM 678 CA LYS A 42 2.138 6.206 19.367 1.00 0.00 C ATOM 679 C LYS A 42 3.021 4.986 19.021 1.00 0.00 C ATOM 680 O LYS A 42 2.895 4.432 17.955 1.00 0.00 O ATOM 681 CB LYS A 42 3.028 7.474 19.414 1.00 0.00 C ATOM 682 CG LYS A 42 3.798 7.757 18.098 1.00 0.00 C ATOM 683 CD LYS A 42 4.932 8.788 18.266 1.00 0.00 C ATOM 684 CE LYS A 42 4.421 10.155 18.706 1.00 0.00 C ATOM 685 NZ LYS A 42 5.517 11.125 18.883 1.00 0.00 N ATOM 0 H LYS A 42 1.738 6.642 21.379 1.00 0.00 H new ATOM 0 HA LYS A 42 1.371 6.346 18.605 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.402 8.335 19.649 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.746 7.371 20.227 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.217 6.824 17.722 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.097 8.117 17.345 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.648 8.418 19.000 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.467 8.891 17.322 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.718 10.535 17.965 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.873 10.053 19.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.178 12.079 18.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.839 11.108 19.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.308 10.873 18.257 1.00 0.00 H new ATOM 699 N ALA A 43 3.942 4.641 19.948 1.00 0.00 N ATOM 700 CA ALA A 43 4.886 3.492 19.843 1.00 0.00 C ATOM 701 C ALA A 43 4.176 2.189 19.409 1.00 0.00 C ATOM 702 O ALA A 43 4.638 1.485 18.505 1.00 0.00 O ATOM 703 CB ALA A 43 5.625 3.284 21.181 1.00 0.00 C ATOM 0 H ALA A 43 4.057 5.165 20.816 1.00 0.00 H new ATOM 0 HA ALA A 43 5.611 3.736 19.067 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.311 2.442 21.091 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.186 4.184 21.430 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.900 3.078 21.969 1.00 0.00 H new ATOM 709 N THR A 44 3.030 1.909 20.045 1.00 0.00 N ATOM 710 CA THR A 44 2.154 0.760 19.796 1.00 0.00 C ATOM 711 C THR A 44 1.414 0.900 18.447 1.00 0.00 C ATOM 712 O THR A 44 1.223 -0.088 17.742 1.00 0.00 O ATOM 713 CB THR A 44 1.143 0.602 20.979 1.00 0.00 C ATOM 714 OG1 THR A 44 1.880 0.494 22.214 1.00 0.00 O ATOM 715 CG2 THR A 44 0.221 -0.629 20.829 1.00 0.00 C ATOM 0 H THR A 44 2.672 2.511 20.786 1.00 0.00 H new ATOM 0 HA THR A 44 2.768 -0.139 19.734 1.00 0.00 H new ATOM 0 HB THR A 44 0.502 1.483 20.976 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.188 1.383 22.490 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.456 -0.682 21.681 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.358 -0.540 19.910 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.827 -1.534 20.790 1.00 0.00 H new ATOM 723 N LEU A 45 0.934 2.130 18.166 1.00 0.00 N ATOM 724 CA LEU A 45 0.438 2.443 16.801 1.00 0.00 C ATOM 725 C LEU A 45 1.492 2.072 15.733 1.00 0.00 C ATOM 726 O LEU A 45 1.184 1.298 14.855 1.00 0.00 O ATOM 727 CB LEU A 45 -0.050 3.911 16.610 1.00 0.00 C ATOM 728 CG LEU A 45 -1.492 4.233 17.127 1.00 0.00 C ATOM 729 CD1 LEU A 45 -1.857 5.706 16.864 1.00 0.00 C ATOM 730 CD2 LEU A 45 -2.534 3.275 16.496 1.00 0.00 C ATOM 0 H LEU A 45 0.878 2.899 18.834 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.449 1.823 16.668 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.651 4.574 17.117 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.005 4.151 15.548 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.506 4.076 18.205 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.864 5.903 17.233 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.148 6.354 17.380 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.818 5.905 15.793 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.528 3.520 16.872 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.519 3.384 15.412 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.289 2.246 16.760 1.00 0.00 H new ATOM 742 N GLU A 46 2.740 2.569 15.846 1.00 0.00 N ATOM 743 CA GLU A 46 3.848 2.297 14.900 1.00 0.00 C ATOM 744 C GLU A 46 4.231 0.804 14.875 1.00 0.00 C ATOM 745 O GLU A 46 4.601 0.273 13.818 1.00 0.00 O ATOM 746 CB GLU A 46 5.086 3.150 15.257 1.00 0.00 C ATOM 747 CG GLU A 46 4.814 4.661 15.298 1.00 0.00 C ATOM 748 CD GLU A 46 6.088 5.500 15.483 1.00 0.00 C ATOM 749 OE1 GLU A 46 6.883 5.611 14.522 1.00 0.00 O ATOM 750 OE2 GLU A 46 6.305 6.047 16.583 1.00 0.00 O ATOM 0 H GLU A 46 3.015 3.184 16.612 1.00 0.00 H new ATOM 0 HA GLU A 46 3.496 2.569 13.905 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.465 2.833 16.229 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.873 2.953 14.529 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.321 4.960 14.373 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.123 4.877 16.112 1.00 0.00 H new ATOM 757 N ALA A 47 4.021 0.127 16.020 1.00 0.00 N ATOM 758 CA ALA A 47 4.313 -1.293 16.260 1.00 0.00 C ATOM 759 C ALA A 47 3.361 -2.123 15.404 1.00 0.00 C ATOM 760 O ALA A 47 3.790 -2.842 14.519 1.00 0.00 O ATOM 761 CB ALA A 47 4.205 -1.645 17.754 1.00 0.00 C ATOM 0 H ALA A 47 3.623 0.581 16.842 1.00 0.00 H new ATOM 0 HA ALA A 47 5.341 -1.516 15.976 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.427 -2.703 17.896 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.917 -1.046 18.321 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.194 -1.436 18.105 1.00 0.00 H new ATOM 767 N GLU A 48 2.065 -1.891 15.636 1.00 0.00 N ATOM 768 CA GLU A 48 0.921 -2.478 14.930 1.00 0.00 C ATOM 769 C GLU A 48 0.994 -2.194 13.413 1.00 0.00 C ATOM 770 O GLU A 48 1.177 -3.092 12.622 1.00 0.00 O ATOM 771 CB GLU A 48 -0.383 -1.851 15.536 1.00 0.00 C ATOM 772 CG GLU A 48 -1.709 -2.229 14.839 1.00 0.00 C ATOM 773 CD GLU A 48 -2.200 -3.650 15.183 1.00 0.00 C ATOM 774 OE1 GLU A 48 -1.611 -4.641 14.696 1.00 0.00 O ATOM 775 OE2 GLU A 48 -3.171 -3.781 15.954 1.00 0.00 O ATOM 0 H GLU A 48 1.768 -1.247 16.369 1.00 0.00 H new ATOM 0 HA GLU A 48 0.926 -3.561 15.056 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.450 -2.146 16.583 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.283 -0.766 15.516 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.477 -1.509 15.122 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.579 -2.149 13.760 1.00 0.00 H new ATOM 782 N ILE A 49 0.878 -0.896 13.107 1.00 0.00 N ATOM 783 CA ILE A 49 0.718 -0.439 11.707 1.00 0.00 C ATOM 784 C ILE A 49 1.877 -0.944 10.800 1.00 0.00 C ATOM 785 O ILE A 49 1.601 -1.559 9.763 1.00 0.00 O ATOM 786 CB ILE A 49 0.452 1.116 11.531 1.00 0.00 C ATOM 787 CG1 ILE A 49 1.720 1.978 11.844 1.00 0.00 C ATOM 788 CG2 ILE A 49 -0.776 1.559 12.384 1.00 0.00 C ATOM 789 CD1 ILE A 49 1.496 3.481 11.828 1.00 0.00 C ATOM 0 H ILE A 49 0.891 -0.145 13.797 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.206 -0.906 11.368 1.00 0.00 H new ATOM 0 HB ILE A 49 0.219 1.293 10.481 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.101 1.693 12.825 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.495 1.734 11.118 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.944 2.628 12.252 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.660 1.010 12.061 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.583 1.350 13.436 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.432 3.991 12.056 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.147 3.786 10.841 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.748 3.745 12.575 1.00 0.00 H new ATOM 801 N ALA A 50 3.169 -0.743 11.181 1.00 0.00 N ATOM 802 CA ALA A 50 4.333 -1.223 10.408 1.00 0.00 C ATOM 803 C ALA A 50 4.517 -2.752 10.459 1.00 0.00 C ATOM 804 O ALA A 50 5.104 -3.319 9.546 1.00 0.00 O ATOM 805 CB ALA A 50 5.599 -0.521 10.907 1.00 0.00 C ATOM 0 H ALA A 50 3.425 -0.243 12.033 1.00 0.00 H new ATOM 0 HA ALA A 50 4.145 -0.976 9.363 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.459 -0.874 10.338 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.494 0.556 10.775 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.747 -0.745 11.964 1.00 0.00 H new ATOM 811 N ARG A 51 4.076 -3.401 11.558 1.00 0.00 N ATOM 812 CA ARG A 51 4.050 -4.885 11.660 1.00 0.00 C ATOM 813 C ARG A 51 3.111 -5.453 10.582 1.00 0.00 C ATOM 814 O ARG A 51 3.475 -6.340 9.822 1.00 0.00 O ATOM 815 CB ARG A 51 3.610 -5.381 13.061 1.00 0.00 C ATOM 816 CG ARG A 51 3.945 -6.860 13.367 1.00 0.00 C ATOM 817 CD ARG A 51 5.462 -7.080 13.435 1.00 0.00 C ATOM 818 NE ARG A 51 5.841 -8.458 13.767 1.00 0.00 N ATOM 819 CZ ARG A 51 7.097 -8.930 13.781 1.00 0.00 C ATOM 820 NH1 ARG A 51 8.124 -8.180 13.390 1.00 0.00 N ATOM 821 NH2 ARG A 51 7.323 -10.166 14.173 1.00 0.00 N ATOM 0 H ARG A 51 3.732 -2.924 12.391 1.00 0.00 H new ATOM 0 HA ARG A 51 5.068 -5.243 11.504 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.082 -4.753 13.817 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.533 -5.241 13.158 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.489 -7.151 14.314 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.516 -7.500 12.596 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.903 -6.812 12.475 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.886 -6.406 14.180 1.00 0.00 H new ATOM 0 HE ARG A 51 5.092 -9.108 14.006 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.965 -7.224 13.071 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.070 -8.561 13.409 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.546 -10.759 14.464 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.275 -10.531 14.186 1.00 0.00 H new ATOM 835 N LEU A 52 1.898 -4.904 10.567 1.00 0.00 N ATOM 836 CA LEU A 52 0.875 -5.186 9.549 1.00 0.00 C ATOM 837 C LEU A 52 1.393 -4.883 8.137 1.00 0.00 C ATOM 838 O LEU A 52 1.038 -5.579 7.186 1.00 0.00 O ATOM 839 CB LEU A 52 -0.439 -4.399 9.815 1.00 0.00 C ATOM 840 CG LEU A 52 -1.144 -4.680 11.182 1.00 0.00 C ATOM 841 CD1 LEU A 52 -2.542 -4.025 11.248 1.00 0.00 C ATOM 842 CD2 LEU A 52 -1.201 -6.197 11.488 1.00 0.00 C ATOM 0 H LEU A 52 1.588 -4.237 11.274 1.00 0.00 H new ATOM 0 HA LEU A 52 0.651 -6.251 9.617 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.219 -3.333 9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.142 -4.625 9.013 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.540 -4.217 11.962 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.001 -4.242 12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.444 -2.946 11.128 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.169 -4.424 10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.697 -6.357 12.445 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.758 -6.706 10.701 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.188 -6.597 11.533 1.00 0.00 H new ATOM 854 N ARG A 53 2.252 -3.858 7.996 1.00 0.00 N ATOM 855 CA ARG A 53 2.816 -3.436 6.705 1.00 0.00 C ATOM 856 C ARG A 53 4.206 -4.041 6.427 1.00 0.00 C ATOM 857 O ARG A 53 4.771 -3.780 5.368 1.00 0.00 O ATOM 858 CB ARG A 53 2.842 -1.888 6.638 1.00 0.00 C ATOM 859 CG ARG A 53 1.432 -1.257 6.598 1.00 0.00 C ATOM 860 CD ARG A 53 1.436 0.265 6.761 1.00 0.00 C ATOM 861 NE ARG A 53 0.067 0.803 6.687 1.00 0.00 N ATOM 862 CZ ARG A 53 -0.262 2.095 6.640 1.00 0.00 C ATOM 863 NH1 ARG A 53 0.662 3.043 6.716 1.00 0.00 N ATOM 864 NH2 ARG A 53 -1.531 2.434 6.537 1.00 0.00 N ATOM 0 H ARG A 53 2.576 -3.295 8.783 1.00 0.00 H new ATOM 0 HA ARG A 53 2.170 -3.821 5.916 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.381 -1.502 7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.397 -1.578 5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.956 -1.511 5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.824 -1.697 7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.885 0.531 7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.052 0.717 5.983 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.697 0.128 6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.645 2.790 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.389 4.025 6.678 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.250 1.712 6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.794 3.419 6.500 1.00 0.00 H new ATOM 878 N GLU A 54 4.771 -4.837 7.361 1.00 0.00 N ATOM 879 CA GLU A 54 5.937 -5.704 7.048 1.00 0.00 C ATOM 880 C GLU A 54 5.413 -7.094 6.658 1.00 0.00 C ATOM 881 O GLU A 54 6.064 -7.835 5.940 1.00 0.00 O ATOM 882 CB GLU A 54 6.982 -5.777 8.194 1.00 0.00 C ATOM 883 CG GLU A 54 6.560 -6.565 9.438 1.00 0.00 C ATOM 884 CD GLU A 54 7.671 -6.666 10.492 1.00 0.00 C ATOM 885 OE1 GLU A 54 8.468 -7.621 10.442 1.00 0.00 O ATOM 886 OE2 GLU A 54 7.759 -5.789 11.372 1.00 0.00 O ATOM 0 H GLU A 54 4.447 -4.900 8.326 1.00 0.00 H new ATOM 0 HA GLU A 54 6.481 -5.261 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.895 -6.222 7.799 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.229 -4.760 8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.687 -6.089 9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.258 -7.569 9.140 1.00 0.00 H new ATOM 893 N VAL A 55 4.202 -7.400 7.149 1.00 0.00 N ATOM 894 CA VAL A 55 3.391 -8.492 6.582 1.00 0.00 C ATOM 895 C VAL A 55 3.107 -8.115 5.103 1.00 0.00 C ATOM 896 O VAL A 55 3.336 -8.903 4.190 1.00 0.00 O ATOM 897 CB VAL A 55 2.053 -8.735 7.378 1.00 0.00 C ATOM 898 CG1 VAL A 55 1.171 -9.814 6.703 1.00 0.00 C ATOM 899 CG2 VAL A 55 2.345 -9.114 8.852 1.00 0.00 C ATOM 0 H VAL A 55 3.764 -6.912 7.931 1.00 0.00 H new ATOM 0 HA VAL A 55 3.937 -9.433 6.653 1.00 0.00 H new ATOM 0 HB VAL A 55 1.496 -7.798 7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.258 -9.952 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.915 -9.495 5.693 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.718 -10.756 6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.405 -9.276 9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.940 -10.027 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.896 -8.306 9.333 1.00 0.00 H new ATOM 909 N HIS A 56 2.663 -6.849 4.918 1.00 0.00 N ATOM 910 CA HIS A 56 2.575 -6.236 3.558 1.00 0.00 C ATOM 911 C HIS A 56 3.935 -5.674 3.032 1.00 0.00 C ATOM 912 O HIS A 56 3.950 -4.655 2.330 1.00 0.00 O ATOM 913 CB HIS A 56 1.494 -5.106 3.549 1.00 0.00 C ATOM 914 CG HIS A 56 0.067 -5.569 3.722 1.00 0.00 C ATOM 915 ND1 HIS A 56 -0.962 -5.127 2.920 1.00 0.00 N ATOM 916 CD2 HIS A 56 -0.510 -6.386 4.638 1.00 0.00 C ATOM 917 CE1 HIS A 56 -2.098 -5.647 3.333 1.00 0.00 C ATOM 918 NE2 HIS A 56 -1.854 -6.416 4.372 1.00 0.00 N ATOM 0 H HIS A 56 2.363 -6.235 5.676 1.00 0.00 H new ATOM 0 HA HIS A 56 2.290 -7.040 2.879 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.727 -4.398 4.345 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.570 -4.563 2.607 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.003 -6.916 5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.068 -5.472 2.893 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -2.551 -6.947 4.894 1.00 0.00 H new ATOM 927 N SER A 57 5.071 -6.347 3.325 1.00 0.00 N ATOM 928 CA SER A 57 6.393 -5.986 2.740 1.00 0.00 C ATOM 929 C SER A 57 7.145 -7.273 2.365 1.00 0.00 C ATOM 930 O SER A 57 7.569 -7.447 1.215 1.00 0.00 O ATOM 931 CB SER A 57 7.224 -5.120 3.716 1.00 0.00 C ATOM 932 OG SER A 57 8.440 -4.700 3.136 1.00 0.00 O ATOM 0 H SER A 57 5.104 -7.143 3.962 1.00 0.00 H new ATOM 0 HA SER A 57 6.233 -5.388 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.642 -4.247 4.014 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.431 -5.690 4.622 1.00 0.00 H new ATOM 0 HG SER A 57 8.938 -4.154 3.780 1.00 0.00 H new ATOM 938 N GLN A 58 7.293 -8.169 3.364 1.00 0.00 N ATOM 939 CA GLN A 58 7.729 -9.568 3.162 1.00 0.00 C ATOM 940 C GLN A 58 6.780 -10.248 2.151 1.00 0.00 C ATOM 941 O GLN A 58 7.196 -11.039 1.302 1.00 0.00 O ATOM 942 CB GLN A 58 7.705 -10.323 4.521 1.00 0.00 C ATOM 943 CG GLN A 58 8.561 -9.674 5.647 1.00 0.00 C ATOM 944 CD GLN A 58 8.136 -10.093 7.062 1.00 0.00 C ATOM 945 OE1 GLN A 58 7.668 -11.204 7.285 1.00 0.00 O ATOM 946 NE2 GLN A 58 8.274 -9.196 8.021 1.00 0.00 N ATOM 0 H GLN A 58 7.112 -7.940 4.341 1.00 0.00 H new ATOM 0 HA GLN A 58 8.746 -9.590 2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.673 -10.392 4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.056 -11.342 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.607 -9.942 5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.494 -8.589 5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.666 -8.279 7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.988 -9.420 8.974 1.00 0.00 H new ATOM 955 N LYS A 59 5.480 -9.912 2.283 1.00 0.00 N ATOM 956 CA LYS A 59 4.440 -10.218 1.291 1.00 0.00 C ATOM 957 C LYS A 59 3.822 -8.882 0.857 1.00 0.00 C ATOM 958 O LYS A 59 2.739 -8.524 1.320 1.00 0.00 O ATOM 959 CB LYS A 59 3.351 -11.202 1.852 1.00 0.00 C ATOM 960 CG LYS A 59 3.886 -12.592 2.285 1.00 0.00 C ATOM 961 CD LYS A 59 4.580 -12.608 3.680 1.00 0.00 C ATOM 962 CE LYS A 59 5.627 -13.733 3.819 1.00 0.00 C ATOM 963 NZ LYS A 59 5.060 -15.075 3.538 1.00 0.00 N ATOM 0 H LYS A 59 5.122 -9.412 3.097 1.00 0.00 H new ATOM 0 HA LYS A 59 4.882 -10.733 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.865 -10.733 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.585 -11.345 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.057 -13.299 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.595 -12.945 1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.063 -11.646 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.823 -12.726 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.454 -13.541 3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.038 -13.720 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.784 -15.801 3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.245 -15.245 4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.753 -15.121 2.545 1.00 0.00 H new ATOM 977 N LEU A 60 4.580 -8.130 0.018 1.00 0.00 N ATOM 978 CA LEU A 60 4.222 -6.754 -0.433 1.00 0.00 C ATOM 979 C LEU A 60 2.764 -6.695 -0.927 1.00 0.00 C ATOM 980 O LEU A 60 1.950 -5.918 -0.414 1.00 0.00 O ATOM 981 CB LEU A 60 5.234 -6.268 -1.530 1.00 0.00 C ATOM 982 CG LEU A 60 5.193 -4.735 -1.971 1.00 0.00 C ATOM 983 CD1 LEU A 60 6.545 -4.292 -2.586 1.00 0.00 C ATOM 984 CD2 LEU A 60 4.040 -4.416 -2.971 1.00 0.00 C ATOM 0 H LEU A 60 5.464 -8.461 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 60 4.295 -6.074 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.241 -6.484 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.075 -6.875 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 60 5.003 -4.171 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.486 -3.243 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.339 -4.421 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.762 -4.900 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.067 -3.358 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.164 -5.015 -3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.082 -4.652 -2.508 1.00 0.00 H new ATOM 996 N SER A 61 2.471 -7.538 -1.909 1.00 0.00 N ATOM 997 CA SER A 61 1.130 -7.720 -2.476 1.00 0.00 C ATOM 998 C SER A 61 1.128 -9.039 -3.237 1.00 0.00 C ATOM 999 O SER A 61 2.200 -9.526 -3.622 1.00 0.00 O ATOM 1000 CB SER A 61 0.752 -6.540 -3.410 1.00 0.00 C ATOM 1001 OG SER A 61 -0.572 -6.674 -3.909 1.00 0.00 O ATOM 0 H SER A 61 3.174 -8.132 -2.348 1.00 0.00 H new ATOM 0 HA SER A 61 0.386 -7.740 -1.680 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.843 -5.600 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.453 -6.495 -4.243 1.00 0.00 H new ATOM 0 HG SER A 61 -0.780 -5.915 -4.492 1.00 0.00 H new ATOM 1007 N LYS A 62 -0.066 -9.614 -3.446 1.00 0.00 N ATOM 1008 CA LYS A 62 -0.207 -10.919 -4.106 1.00 0.00 C ATOM 1009 C LYS A 62 0.324 -10.861 -5.550 1.00 0.00 C ATOM 1010 O LYS A 62 1.331 -11.531 -5.871 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.681 -11.407 -4.068 1.00 0.00 C ATOM 1012 CG LYS A 62 -2.255 -11.594 -2.641 1.00 0.00 C ATOM 1013 CD LYS A 62 -3.658 -12.251 -2.635 1.00 0.00 C ATOM 1014 CE LYS A 62 -3.637 -13.690 -3.184 1.00 0.00 C ATOM 1015 NZ LYS A 62 -4.989 -14.291 -3.236 1.00 0.00 N ATOM 0 H LYS A 62 -0.951 -9.192 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 62 0.395 -11.643 -3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.302 -10.691 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.751 -12.354 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.570 -12.208 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.312 -10.624 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.047 -12.259 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.341 -11.647 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.204 -13.689 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.992 -14.306 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.925 -15.259 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.394 -14.318 -2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.599 -13.719 -3.854 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.374 -10.105 -6.429 1.00 0.00 N ATOM 1030 CA GLU A 63 0.014 -9.805 -7.818 1.00 0.00 C ATOM 1031 C GLU A 63 1.508 -9.461 -7.936 1.00 0.00 C ATOM 1032 O GLU A 63 2.178 -10.044 -8.749 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.820 -8.602 -8.358 1.00 0.00 C ATOM 1034 CG GLU A 63 -0.629 -8.285 -9.863 1.00 0.00 C ATOM 1035 CD GLU A 63 -0.956 -9.471 -10.791 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -1.992 -10.145 -10.579 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -0.183 -9.746 -11.732 1.00 0.00 O ATOM 0 H GLU A 63 -1.261 -9.671 -6.174 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.183 -10.701 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.876 -8.803 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.561 -7.714 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.263 -7.440 -10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.402 -7.976 -10.032 1.00 0.00 H new ATOM 1044 N ALA A 64 1.995 -8.520 -7.088 1.00 0.00 N ATOM 1045 CA ALA A 64 3.410 -8.061 -7.085 1.00 0.00 C ATOM 1046 C ALA A 64 4.388 -9.254 -6.938 1.00 0.00 C ATOM 1047 O ALA A 64 5.259 -9.462 -7.783 1.00 0.00 O ATOM 1048 CB ALA A 64 3.627 -7.038 -5.948 1.00 0.00 C ATOM 0 H ALA A 64 1.418 -8.057 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 64 3.617 -7.581 -8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.665 -6.706 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.971 -6.181 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.398 -7.505 -4.990 1.00 0.00 H new ATOM 1054 N GLN A 65 4.265 -9.903 -5.762 1.00 0.00 N ATOM 1055 CA GLN A 65 5.051 -11.147 -5.490 1.00 0.00 C ATOM 1056 C GLN A 65 5.116 -12.081 -6.747 1.00 0.00 C ATOM 1057 O GLN A 65 6.219 -12.535 -7.146 1.00 0.00 O ATOM 1058 CB GLN A 65 4.467 -11.951 -4.292 1.00 0.00 C ATOM 1059 CG GLN A 65 4.901 -11.448 -2.904 1.00 0.00 C ATOM 1060 CD GLN A 65 4.545 -12.423 -1.773 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.414 -12.544 -0.784 1.00 0.00 O flip ATOM 1062 NE2 GLN A 65 3.515 -13.099 -1.815 1.00 0.00 N flip ATOM 0 H GLN A 65 3.653 -9.608 -5.001 1.00 0.00 H new ATOM 0 HA GLN A 65 6.059 -10.817 -5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.379 -11.922 -4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.764 -12.995 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.978 -11.280 -2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.428 -10.486 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.862 -12.985 -2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.316 -13.772 -1.075 1.00 0.00 H new ATOM 1071 N LYS A 66 3.964 -12.331 -7.417 1.00 0.00 N ATOM 1072 CA LYS A 66 3.858 -13.095 -8.664 1.00 0.00 C ATOM 1073 C LYS A 66 4.609 -12.432 -9.827 1.00 0.00 C ATOM 1074 O LYS A 66 5.352 -13.128 -10.527 1.00 0.00 O ATOM 1075 CB LYS A 66 2.358 -13.291 -9.007 1.00 0.00 C ATOM 1076 CG LYS A 66 2.069 -14.055 -10.320 1.00 0.00 C ATOM 1077 CD LYS A 66 0.585 -14.478 -10.448 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.374 -13.293 -10.597 1.00 0.00 C ATOM 1079 NZ LYS A 66 -0.123 -12.516 -11.830 1.00 0.00 N ATOM 0 H LYS A 66 3.061 -11.992 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 66 4.333 -14.064 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.882 -13.825 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.886 -12.310 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.338 -13.426 -11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.701 -14.942 -10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.475 -15.135 -11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.302 -15.056 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.401 -13.659 -10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.275 -12.638 -9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.293 -11.596 -11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.535 -13.039 -12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.020 -12.366 -12.334 1.00 0.00 H new ATOM 1093 N LEU A 67 4.384 -11.109 -10.077 1.00 0.00 N ATOM 1094 CA LEU A 67 5.156 -10.293 -11.036 1.00 0.00 C ATOM 1095 C LEU A 67 6.660 -10.563 -10.915 1.00 0.00 C ATOM 1096 O LEU A 67 7.355 -10.671 -11.936 1.00 0.00 O ATOM 1097 CB LEU A 67 4.901 -8.750 -10.833 1.00 0.00 C ATOM 1098 CG LEU A 67 3.441 -8.204 -11.016 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.356 -6.679 -10.705 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.894 -8.483 -12.421 1.00 0.00 C ATOM 0 H LEU A 67 3.649 -10.581 -9.606 1.00 0.00 H new ATOM 0 HA LEU A 67 4.812 -10.582 -12.029 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.229 -8.489 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.546 -8.213 -11.528 1.00 0.00 H new ATOM 0 HG LEU A 67 2.820 -8.740 -10.298 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.330 -6.336 -10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.663 -6.500 -9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.015 -6.133 -11.380 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.881 -8.088 -12.502 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.532 -8.002 -13.162 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.879 -9.558 -12.599 1.00 0.00 H new ATOM 1112 N MET A 68 7.155 -10.678 -9.658 1.00 0.00 N ATOM 1113 CA MET A 68 8.601 -10.825 -9.438 1.00 0.00 C ATOM 1114 C MET A 68 9.051 -12.213 -9.961 1.00 0.00 C ATOM 1115 O MET A 68 10.104 -12.331 -10.594 1.00 0.00 O ATOM 1116 CB MET A 68 8.918 -10.721 -7.918 1.00 0.00 C ATOM 1117 CG MET A 68 8.426 -9.439 -7.227 1.00 0.00 C ATOM 1118 SD MET A 68 9.410 -7.983 -7.635 1.00 0.00 S ATOM 1119 CE MET A 68 8.701 -6.749 -6.534 1.00 0.00 C ATOM 0 H MET A 68 6.588 -10.672 -8.810 1.00 0.00 H new ATOM 0 HA MET A 68 9.132 -10.035 -9.969 1.00 0.00 H new ATOM 0 HB2 MET A 68 8.475 -11.579 -7.412 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.997 -10.794 -7.784 1.00 0.00 H new ATOM 0 HG2 MET A 68 7.389 -9.258 -7.509 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.441 -9.588 -6.147 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.925 -5.752 -6.913 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.621 -6.884 -6.484 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.127 -6.863 -5.537 1.00 0.00 H new ATOM 1129 N LYS A 69 8.212 -13.259 -9.715 1.00 0.00 N ATOM 1130 CA LYS A 69 8.533 -14.670 -10.075 1.00 0.00 C ATOM 1131 C LYS A 69 7.800 -15.181 -11.360 1.00 0.00 C ATOM 1132 O LYS A 69 7.503 -16.383 -11.467 1.00 0.00 O ATOM 1133 CB LYS A 69 8.172 -15.565 -8.849 1.00 0.00 C ATOM 1134 CG LYS A 69 6.666 -15.573 -8.469 1.00 0.00 C ATOM 1135 CD LYS A 69 6.344 -16.452 -7.242 1.00 0.00 C ATOM 1136 CE LYS A 69 4.841 -16.483 -6.914 1.00 0.00 C ATOM 1137 NZ LYS A 69 4.555 -17.326 -5.728 1.00 0.00 N ATOM 0 H LYS A 69 7.303 -13.149 -9.266 1.00 0.00 H new ATOM 0 HA LYS A 69 9.595 -14.724 -10.314 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.485 -16.588 -9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.748 -15.226 -7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.345 -14.551 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.086 -15.927 -9.322 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.693 -17.468 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.893 -16.078 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.487 -15.468 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.289 -16.864 -7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.533 -17.322 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.870 -18.300 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.062 -16.947 -4.903 1.00 0.00 H new ATOM 1151 N MET A 70 7.547 -14.293 -12.342 1.00 0.00 N ATOM 1152 CA MET A 70 6.799 -14.649 -13.591 1.00 0.00 C ATOM 1153 C MET A 70 7.549 -15.666 -14.513 1.00 0.00 C ATOM 1154 O MET A 70 8.778 -15.750 -14.458 1.00 0.00 O ATOM 1155 CB MET A 70 6.485 -13.373 -14.413 1.00 0.00 C ATOM 1156 CG MET A 70 5.360 -12.503 -13.865 1.00 0.00 C ATOM 1157 SD MET A 70 3.781 -13.378 -13.763 1.00 0.00 S ATOM 1158 CE MET A 70 2.628 -12.015 -13.583 1.00 0.00 C ATOM 0 H MET A 70 7.846 -13.318 -12.305 1.00 0.00 H new ATOM 0 HA MET A 70 5.883 -15.134 -13.253 1.00 0.00 H new ATOM 0 HB2 MET A 70 7.391 -12.770 -14.476 1.00 0.00 H new ATOM 0 HB3 MET A 70 6.229 -13.670 -15.430 1.00 0.00 H new ATOM 0 HG2 MET A 70 5.635 -12.144 -12.873 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.243 -11.626 -14.501 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.654 -12.308 -13.976 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.531 -11.757 -12.528 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.997 -11.151 -14.135 1.00 0.00 H new ATOM 1168 N PRO A 71 6.790 -16.455 -15.377 1.00 0.00 N ATOM 1169 CA PRO A 71 7.372 -17.233 -16.516 1.00 0.00 C ATOM 1170 C PRO A 71 7.644 -16.335 -17.768 1.00 0.00 C ATOM 1171 O PRO A 71 8.360 -16.731 -18.696 1.00 0.00 O ATOM 1172 CB PRO A 71 6.277 -18.294 -16.791 1.00 0.00 C ATOM 1173 CG PRO A 71 4.992 -17.606 -16.443 1.00 0.00 C ATOM 1174 CD PRO A 71 5.310 -16.680 -15.279 1.00 0.00 C ATOM 0 HA PRO A 71 8.346 -17.665 -16.287 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.287 -18.613 -17.833 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.427 -19.186 -16.183 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.608 -17.044 -17.294 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.225 -18.330 -16.167 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.759 -15.742 -15.355 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.039 -17.133 -14.325 1.00 0.00 H new ATOM 1182 N PHE A 72 7.066 -15.111 -17.706 1.00 0.00 N ATOM 1183 CA PHE A 72 7.388 -14.090 -18.756 1.00 0.00 C ATOM 1184 C PHE A 72 7.388 -12.724 -18.131 1.00 0.00 C ATOM 1185 O PHE A 72 6.371 -12.334 -17.596 1.00 0.00 O ATOM 1186 CB PHE A 72 6.305 -14.123 -19.900 1.00 0.00 C ATOM 1187 CG PHE A 72 6.223 -15.440 -20.669 1.00 0.00 C ATOM 1188 CD1 PHE A 72 7.097 -15.713 -21.720 1.00 0.00 C ATOM 1189 CD2 PHE A 72 5.279 -16.409 -20.328 1.00 0.00 C ATOM 1190 CE1 PHE A 72 7.035 -16.917 -22.397 1.00 0.00 C ATOM 1191 CE2 PHE A 72 5.219 -17.612 -20.999 1.00 0.00 C ATOM 1192 CZ PHE A 72 6.093 -17.863 -22.040 1.00 0.00 C ATOM 0 H PHE A 72 6.409 -14.808 -16.987 1.00 0.00 H new ATOM 0 HA PHE A 72 8.367 -14.315 -19.179 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.329 -13.913 -19.463 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.518 -13.320 -20.605 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.831 -14.975 -22.009 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.584 -16.214 -19.525 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.723 -17.118 -23.205 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.491 -18.356 -20.712 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.040 -18.800 -22.575 1.00 0.00 H new ATOM 1202 N GLN A 73 8.486 -11.960 -18.159 1.00 0.00 N ATOM 1203 CA GLN A 73 8.487 -10.617 -17.615 1.00 0.00 C ATOM 1204 C GLN A 73 9.625 -9.812 -18.246 1.00 0.00 C ATOM 1205 O GLN A 73 10.630 -10.379 -18.697 1.00 0.00 O ATOM 1206 CB GLN A 73 8.594 -10.601 -16.060 1.00 0.00 C ATOM 1207 CG GLN A 73 9.917 -11.087 -15.404 1.00 0.00 C ATOM 1208 CD GLN A 73 10.081 -12.616 -15.263 1.00 0.00 C ATOM 1209 OE1 GLN A 73 9.656 -13.401 -16.103 1.00 0.00 O ATOM 1210 NE2 GLN A 73 10.661 -13.052 -14.155 1.00 0.00 N ATOM 0 H GLN A 73 9.378 -12.257 -18.554 1.00 0.00 H new ATOM 0 HA GLN A 73 7.530 -10.157 -17.862 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.414 -9.579 -15.726 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.783 -11.214 -15.665 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.752 -10.705 -15.991 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.993 -10.640 -14.413 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.010 -12.386 -13.466 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.759 -14.054 -13.991 1.00 0.00 H new ATOM 1219 N ARG A 74 9.442 -8.492 -18.215 1.00 0.00 N ATOM 1220 CA ARG A 74 10.435 -7.528 -18.727 1.00 0.00 C ATOM 1221 C ARG A 74 9.983 -6.107 -18.458 1.00 0.00 C ATOM 1222 O ARG A 74 9.105 -5.875 -17.626 1.00 0.00 O ATOM 1223 CB ARG A 74 10.717 -7.751 -20.256 1.00 0.00 C ATOM 1224 CG ARG A 74 9.517 -7.508 -21.205 1.00 0.00 C ATOM 1225 CD ARG A 74 9.903 -7.647 -22.689 1.00 0.00 C ATOM 1226 NE ARG A 74 8.808 -7.235 -23.597 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.481 -7.842 -24.750 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.103 -8.944 -25.142 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.524 -7.345 -25.508 1.00 0.00 N ATOM 0 H ARG A 74 8.603 -8.054 -17.835 1.00 0.00 H new ATOM 0 HA ARG A 74 11.372 -7.697 -18.196 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.532 -7.092 -20.556 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.066 -8.774 -20.396 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.723 -8.217 -20.971 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.115 -6.510 -21.029 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.786 -7.041 -22.890 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.173 -8.682 -22.896 1.00 0.00 H new ATOM 0 HE ARG A 74 8.256 -6.422 -23.324 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.843 -9.345 -24.565 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.842 -9.392 -26.020 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.032 -6.500 -25.219 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.276 -7.806 -26.383 1.00 0.00 H new ATOM 1243 N ALA A 75 10.646 -5.142 -19.098 1.00 0.00 N ATOM 1244 CA ALA A 75 10.206 -3.765 -19.136 1.00 0.00 C ATOM 1245 C ALA A 75 9.585 -3.432 -20.515 1.00 0.00 C ATOM 1246 O ALA A 75 9.400 -4.296 -21.382 1.00 0.00 O ATOM 1247 CB ALA A 75 11.404 -2.851 -18.787 1.00 0.00 C ATOM 0 H ALA A 75 11.514 -5.307 -19.608 1.00 0.00 H new ATOM 0 HA ALA A 75 9.422 -3.596 -18.398 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.086 -1.809 -18.812 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.769 -3.095 -17.789 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.202 -3.004 -19.513 1.00 0.00 H new ATOM 1253 N ILE A 76 9.321 -2.142 -20.672 1.00 0.00 N ATOM 1254 CA ILE A 76 8.532 -1.660 -21.823 1.00 0.00 C ATOM 1255 C ILE A 76 9.311 -0.511 -22.465 1.00 0.00 C ATOM 1256 O ILE A 76 9.282 0.630 -21.986 1.00 0.00 O ATOM 1257 CB ILE A 76 7.059 -1.230 -21.453 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.280 -2.362 -20.688 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.272 -0.808 -22.713 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.082 -3.672 -21.451 1.00 0.00 C ATOM 0 H ILE A 76 9.632 -1.411 -20.033 1.00 0.00 H new ATOM 0 HA ILE A 76 8.401 -2.484 -22.525 1.00 0.00 H new ATOM 0 HB ILE A 76 7.144 -0.375 -20.782 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.813 -2.581 -19.762 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.300 -1.976 -20.408 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.261 -0.517 -22.430 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.773 0.035 -23.189 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.227 -1.644 -23.411 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.534 -4.377 -20.827 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.517 -3.480 -22.363 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.054 -4.094 -21.708 1.00 0.00 H new ATOM 1272 N THR A 77 10.032 -0.863 -23.538 1.00 0.00 N ATOM 1273 CA THR A 77 10.958 0.031 -24.240 1.00 0.00 C ATOM 1274 C THR A 77 10.185 1.052 -25.092 1.00 0.00 C ATOM 1275 O THR A 77 8.993 0.885 -25.323 1.00 0.00 O ATOM 1276 CB THR A 77 11.906 -0.813 -25.162 1.00 0.00 C ATOM 1277 OG1 THR A 77 11.114 -1.534 -26.114 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.760 -1.817 -24.367 1.00 0.00 C ATOM 0 H THR A 77 9.986 -1.795 -23.949 1.00 0.00 H new ATOM 0 HA THR A 77 11.549 0.571 -23.500 1.00 0.00 H new ATOM 0 HB THR A 77 12.584 -0.118 -25.657 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.569 -2.369 -26.352 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.398 -2.375 -25.052 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.381 -1.279 -23.650 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.107 -2.509 -23.835 1.00 0.00 H new ATOM 1286 N LYS A 78 10.884 2.108 -25.537 1.00 0.00 N ATOM 1287 CA LYS A 78 10.391 3.059 -26.575 1.00 0.00 C ATOM 1288 C LYS A 78 9.913 2.317 -27.856 1.00 0.00 C ATOM 1289 O LYS A 78 9.097 2.835 -28.617 1.00 0.00 O ATOM 1290 CB LYS A 78 11.526 4.035 -26.960 1.00 0.00 C ATOM 1291 CG LYS A 78 12.069 4.897 -25.803 1.00 0.00 C ATOM 1292 CD LYS A 78 13.392 5.653 -26.144 1.00 0.00 C ATOM 1293 CE LYS A 78 13.228 6.796 -27.177 1.00 0.00 C ATOM 1294 NZ LYS A 78 12.942 6.325 -28.562 1.00 0.00 N ATOM 0 H LYS A 78 11.816 2.337 -25.191 1.00 0.00 H new ATOM 0 HA LYS A 78 9.543 3.599 -26.154 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.350 3.460 -27.382 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.163 4.697 -27.746 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.309 5.625 -25.518 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.240 4.258 -24.936 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.807 6.067 -25.225 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.118 4.935 -26.526 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.420 7.451 -26.853 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.139 7.395 -27.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.509 6.873 -29.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.185 5.317 -28.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.932 6.455 -28.771 1.00 0.00 H new ATOM 1308 N LYS A 79 10.507 1.135 -28.084 1.00 0.00 N ATOM 1309 CA LYS A 79 10.125 0.193 -29.150 1.00 0.00 C ATOM 1310 C LYS A 79 8.703 -0.356 -28.899 1.00 0.00 C ATOM 1311 O LYS A 79 7.869 -0.363 -29.813 1.00 0.00 O ATOM 1312 CB LYS A 79 11.126 -0.979 -29.271 1.00 0.00 C ATOM 1313 CG LYS A 79 12.552 -0.562 -29.670 1.00 0.00 C ATOM 1314 CD LYS A 79 13.503 -1.769 -29.806 1.00 0.00 C ATOM 1315 CE LYS A 79 14.920 -1.359 -30.254 1.00 0.00 C ATOM 1316 NZ LYS A 79 15.826 -2.525 -30.379 1.00 0.00 N ATOM 0 H LYS A 79 11.286 0.799 -27.518 1.00 0.00 H new ATOM 0 HA LYS A 79 10.141 0.744 -30.090 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.168 -1.504 -28.317 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.749 -1.688 -30.008 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.518 -0.022 -30.616 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.948 0.127 -28.924 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.564 -2.288 -28.850 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.088 -2.475 -30.526 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.861 -0.842 -31.212 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.336 -0.653 -29.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.767 -2.202 -30.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.904 -3.004 -29.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.444 -3.188 -31.083 1.00 0.00 H new ATOM 1330 N GLU A 80 8.428 -0.839 -27.665 1.00 0.00 N ATOM 1331 CA GLU A 80 7.111 -1.395 -27.291 1.00 0.00 C ATOM 1332 C GLU A 80 6.066 -0.270 -27.147 1.00 0.00 C ATOM 1333 O GLU A 80 4.874 -0.524 -27.240 1.00 0.00 O ATOM 1334 CB GLU A 80 7.210 -2.186 -25.958 1.00 0.00 C ATOM 1335 CG GLU A 80 8.234 -3.335 -25.958 1.00 0.00 C ATOM 1336 CD GLU A 80 7.998 -4.332 -27.099 1.00 0.00 C ATOM 1337 OE1 GLU A 80 7.001 -5.076 -27.050 1.00 0.00 O ATOM 1338 OE2 GLU A 80 8.795 -4.362 -28.061 1.00 0.00 O ATOM 0 H GLU A 80 9.110 -0.853 -26.906 1.00 0.00 H new ATOM 0 HA GLU A 80 6.796 -2.073 -28.085 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.467 -1.491 -25.159 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.228 -2.595 -25.722 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.239 -2.922 -26.043 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.185 -3.861 -25.004 1.00 0.00 H new ATOM 1345 N GLN A 81 6.542 0.962 -26.877 1.00 0.00 N ATOM 1346 CA GLN A 81 5.703 2.179 -26.843 1.00 0.00 C ATOM 1347 C GLN A 81 5.388 2.721 -28.254 1.00 0.00 C ATOM 1348 O GLN A 81 4.355 3.367 -28.458 1.00 0.00 O ATOM 1349 CB GLN A 81 6.419 3.234 -25.963 1.00 0.00 C ATOM 1350 CG GLN A 81 6.569 2.800 -24.481 1.00 0.00 C ATOM 1351 CD GLN A 81 7.516 3.678 -23.667 1.00 0.00 C ATOM 1352 OE1 GLN A 81 7.693 4.864 -23.946 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.102 3.108 -22.629 1.00 0.00 N ATOM 0 H GLN A 81 7.525 1.143 -26.675 1.00 0.00 H new ATOM 0 HA GLN A 81 4.733 1.934 -26.410 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.407 3.432 -26.378 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.862 4.170 -26.005 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.586 2.810 -24.010 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.927 1.771 -24.449 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.934 2.123 -22.426 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.723 3.653 -22.031 1.00 0.00 H new ATOM 1362 N ALA A 82 6.285 2.447 -29.220 1.00 0.00 N ATOM 1363 CA ALA A 82 6.054 2.635 -30.672 1.00 0.00 C ATOM 1364 C ALA A 82 4.942 1.717 -31.196 1.00 0.00 C ATOM 1365 O ALA A 82 4.283 2.024 -32.194 1.00 0.00 O ATOM 1366 CB ALA A 82 7.364 2.418 -31.454 1.00 0.00 C ATOM 0 H ALA A 82 7.214 2.080 -29.012 1.00 0.00 H new ATOM 0 HA ALA A 82 5.721 3.661 -30.827 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.180 2.559 -32.519 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.112 3.136 -31.117 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.728 1.405 -31.280 1.00 0.00 H new ATOM 1372 N ASP A 83 4.726 0.599 -30.489 1.00 0.00 N ATOM 1373 CA ASP A 83 3.686 -0.382 -30.825 1.00 0.00 C ATOM 1374 C ASP A 83 2.885 -0.718 -29.562 1.00 0.00 C ATOM 1375 O ASP A 83 2.556 -1.876 -29.320 1.00 0.00 O ATOM 1376 CB ASP A 83 4.322 -1.655 -31.454 1.00 0.00 C ATOM 1377 CG ASP A 83 5.040 -1.386 -32.785 1.00 0.00 C ATOM 1378 OD1 ASP A 83 4.370 -0.958 -33.749 1.00 0.00 O ATOM 1379 OD2 ASP A 83 6.270 -1.591 -32.874 1.00 0.00 O ATOM 0 H ASP A 83 5.271 0.349 -29.664 1.00 0.00 H new ATOM 0 HA ASP A 83 3.007 0.040 -31.566 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.032 -2.084 -30.747 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.543 -2.400 -31.615 1.00 0.00 H new ATOM 1384 N MET A 84 2.535 0.339 -28.795 1.00 0.00 N ATOM 1385 CA MET A 84 1.808 0.216 -27.512 1.00 0.00 C ATOM 1386 C MET A 84 0.447 -0.474 -27.701 1.00 0.00 C ATOM 1387 O MET A 84 0.022 -1.319 -26.889 1.00 0.00 O ATOM 1388 CB MET A 84 1.614 1.625 -26.881 1.00 0.00 C ATOM 1389 CG MET A 84 1.578 1.616 -25.357 1.00 0.00 C ATOM 1390 SD MET A 84 3.216 1.265 -24.687 1.00 0.00 S ATOM 1391 CE MET A 84 2.816 0.432 -23.174 1.00 0.00 C ATOM 0 H MET A 84 2.749 1.303 -29.049 1.00 0.00 H new ATOM 0 HA MET A 84 2.403 -0.404 -26.841 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.423 2.276 -27.212 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.685 2.056 -27.255 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.228 2.581 -24.990 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.868 0.866 -25.009 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.718 0.315 -22.573 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.084 1.018 -22.619 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.400 -0.550 -23.398 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.177 -0.152 -28.842 1.00 0.00 N ATOM 1402 CA GLY A 85 -1.490 -0.665 -29.175 1.00 0.00 C ATOM 1403 C GLY A 85 -1.436 -2.126 -29.533 1.00 0.00 C ATOM 1404 O GLY A 85 -2.299 -2.897 -29.107 1.00 0.00 O ATOM 0 H GLY A 85 0.220 0.468 -29.548 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.163 -0.521 -28.330 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.902 -0.099 -30.011 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.367 -2.527 -30.260 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.192 -3.903 -30.730 1.00 0.00 C ATOM 1410 C LYS A 86 0.218 -4.765 -29.530 1.00 0.00 C ATOM 1411 O LYS A 86 -0.388 -5.808 -29.289 1.00 0.00 O ATOM 1412 CB LYS A 86 0.865 -3.927 -31.882 1.00 0.00 C ATOM 1413 CG LYS A 86 1.274 -5.342 -32.410 1.00 0.00 C ATOM 1414 CD LYS A 86 2.625 -5.864 -31.843 1.00 0.00 C ATOM 1415 CE LYS A 86 3.838 -5.119 -32.433 1.00 0.00 C ATOM 1416 NZ LYS A 86 5.123 -5.558 -31.831 1.00 0.00 N ATOM 0 H LYS A 86 0.391 -1.901 -30.532 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.116 -4.309 -31.141 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.474 -3.348 -32.719 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.764 -3.417 -31.534 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.487 -6.053 -32.159 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.337 -5.308 -33.498 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.627 -5.754 -30.759 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.718 -6.929 -32.056 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.871 -5.281 -33.510 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.714 -4.048 -32.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.907 -5.027 -32.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.105 -5.380 -30.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.258 -6.575 -32.003 1.00 0.00 H new ATOM 1430 N LEU A 87 1.232 -4.283 -28.765 1.00 0.00 N ATOM 1431 CA LEU A 87 1.587 -4.772 -27.424 1.00 0.00 C ATOM 1432 C LEU A 87 0.380 -5.132 -26.550 1.00 0.00 C ATOM 1433 O LEU A 87 0.205 -6.300 -26.212 1.00 0.00 O ATOM 1434 CB LEU A 87 2.497 -3.726 -26.704 1.00 0.00 C ATOM 1435 CG LEU A 87 3.000 -4.098 -25.268 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.012 -5.274 -25.292 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.589 -2.863 -24.551 1.00 0.00 C ATOM 0 H LEU A 87 1.836 -3.524 -29.080 1.00 0.00 H new ATOM 0 HA LEU A 87 2.130 -5.706 -27.569 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.369 -3.544 -27.333 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.949 -2.786 -26.639 1.00 0.00 H new ATOM 0 HG LEU A 87 2.134 -4.437 -24.699 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.334 -5.498 -24.275 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.536 -6.154 -25.724 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.877 -4.997 -25.894 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.931 -3.149 -23.556 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.430 -2.475 -25.126 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.823 -2.093 -24.464 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.534 -4.176 -26.286 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.426 -4.316 -25.108 1.00 0.00 C ATOM 1451 C LYS A 88 -2.629 -5.229 -25.427 1.00 0.00 C ATOM 1452 O LYS A 88 -3.172 -5.886 -24.525 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.901 -2.925 -24.607 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.859 -2.198 -23.730 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.417 -0.921 -23.070 1.00 0.00 C ATOM 1456 CE LYS A 88 -0.516 -0.423 -21.932 1.00 0.00 C ATOM 1457 NZ LYS A 88 -1.059 0.797 -21.294 1.00 0.00 N ATOM 0 H LYS A 88 -0.675 -3.333 -26.842 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.854 -4.786 -24.308 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.140 -2.300 -25.467 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.822 -3.048 -24.037 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.507 -2.878 -22.954 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.005 -1.937 -24.342 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.518 -0.138 -23.822 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.416 -1.120 -22.681 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.409 -1.208 -21.183 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.481 -0.216 -22.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.422 1.102 -20.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.137 1.554 -22.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.000 0.593 -20.900 1.00 0.00 H new ATOM 1471 N LYS A 89 -3.044 -5.271 -26.710 1.00 0.00 N ATOM 1472 CA LYS A 89 -4.158 -6.142 -27.143 1.00 0.00 C ATOM 1473 C LYS A 89 -3.691 -7.603 -27.321 1.00 0.00 C ATOM 1474 O LYS A 89 -4.439 -8.530 -27.001 1.00 0.00 O ATOM 1475 CB LYS A 89 -4.866 -5.575 -28.424 1.00 0.00 C ATOM 1476 CG LYS A 89 -3.994 -5.396 -29.712 1.00 0.00 C ATOM 1477 CD LYS A 89 -3.859 -6.660 -30.603 1.00 0.00 C ATOM 1478 CE LYS A 89 -5.204 -7.149 -31.160 1.00 0.00 C ATOM 1479 NZ LYS A 89 -5.051 -8.380 -31.971 1.00 0.00 N ATOM 0 H LYS A 89 -2.629 -4.717 -27.459 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.907 -6.147 -26.351 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.697 -6.236 -28.670 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.294 -4.605 -28.170 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.422 -4.593 -30.312 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.996 -5.074 -29.413 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.186 -6.443 -31.433 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.400 -7.460 -30.022 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.891 -7.340 -30.335 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.651 -6.365 -31.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.981 -8.678 -32.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.416 -8.191 -32.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.648 -9.136 -31.381 1.00 0.00 H new ATOM 1493 N SER A 90 -2.457 -7.802 -27.844 1.00 0.00 N ATOM 1494 CA SER A 90 -1.909 -9.137 -28.149 1.00 0.00 C ATOM 1495 C SER A 90 -1.767 -9.998 -26.876 1.00 0.00 C ATOM 1496 O SER A 90 -2.291 -11.120 -26.816 1.00 0.00 O ATOM 1497 CB SER A 90 -0.551 -8.999 -28.875 1.00 0.00 C ATOM 1498 OG SER A 90 -0.712 -8.396 -30.155 1.00 0.00 O ATOM 0 H SER A 90 -1.817 -7.039 -28.065 1.00 0.00 H new ATOM 0 HA SER A 90 -2.611 -9.649 -28.808 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.129 -8.399 -28.270 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.094 -9.982 -28.988 1.00 0.00 H new ATOM 0 HG SER A 90 -0.630 -7.423 -30.071 1.00 0.00 H new ATOM 1504 N VAL A 91 -1.056 -9.457 -25.863 1.00 0.00 N ATOM 1505 CA VAL A 91 -0.820 -10.170 -24.577 1.00 0.00 C ATOM 1506 C VAL A 91 -2.164 -10.452 -23.815 1.00 0.00 C ATOM 1507 O VAL A 91 -2.160 -11.157 -22.803 1.00 0.00 O ATOM 1508 CB VAL A 91 0.165 -9.390 -23.614 1.00 0.00 C ATOM 1509 CG1 VAL A 91 0.848 -10.361 -22.606 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.212 -8.567 -24.389 1.00 0.00 C ATOM 0 H VAL A 91 -0.633 -8.530 -25.906 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.352 -11.115 -24.852 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.439 -8.681 -23.048 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.519 -9.799 -21.957 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.086 -10.853 -22.001 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.418 -11.112 -23.153 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.864 -8.051 -23.684 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.808 -9.232 -25.014 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.706 -7.835 -25.018 1.00 0.00 H new ATOM 1520 N ARG A 92 -3.289 -9.868 -24.316 1.00 0.00 N ATOM 1521 CA ARG A 92 -4.683 -10.052 -23.801 1.00 0.00 C ATOM 1522 C ARG A 92 -4.833 -9.585 -22.332 1.00 0.00 C ATOM 1523 O ARG A 92 -5.842 -9.858 -21.668 1.00 0.00 O ATOM 1524 CB ARG A 92 -5.260 -11.512 -24.094 1.00 0.00 C ATOM 1525 CG ARG A 92 -4.675 -12.750 -23.329 1.00 0.00 C ATOM 1526 CD ARG A 92 -5.230 -12.921 -21.905 1.00 0.00 C ATOM 1527 NE ARG A 92 -4.616 -14.042 -21.168 1.00 0.00 N ATOM 1528 CZ ARG A 92 -4.713 -14.234 -19.836 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -5.367 -13.375 -19.074 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -4.146 -15.284 -19.273 1.00 0.00 N ATOM 0 H ARG A 92 -3.253 -9.235 -25.115 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.327 -9.385 -24.374 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.331 -11.484 -23.896 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.138 -11.702 -25.160 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.887 -13.653 -23.902 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.591 -12.653 -23.277 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.070 -11.998 -21.347 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.307 -13.078 -21.959 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.078 -14.722 -21.705 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.806 -12.555 -19.491 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.433 -13.532 -18.068 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.632 -15.954 -19.845 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.222 -15.426 -18.266 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.871 -8.767 -21.892 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.688 -8.409 -20.495 1.00 0.00 C ATOM 1546 C GLY A 93 -2.258 -8.719 -20.100 1.00 0.00 C ATOM 1547 O GLY A 93 -1.784 -9.843 -20.309 1.00 0.00 O ATOM 0 H GLY A 93 -3.189 -8.331 -22.513 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.901 -7.351 -20.345 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.383 -8.966 -19.867 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.563 -7.741 -19.531 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.101 -7.692 -19.337 1.00 0.00 C ATOM 1553 C LEU A 94 0.042 -6.552 -18.326 1.00 0.00 C ATOM 1554 O LEU A 94 -0.677 -5.543 -18.484 1.00 0.00 O ATOM 1555 CB LEU A 94 0.611 -7.322 -20.681 1.00 0.00 C ATOM 1556 CG LEU A 94 1.943 -6.501 -20.615 1.00 0.00 C ATOM 1557 CD1 LEU A 94 3.056 -7.297 -19.927 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.380 -6.015 -22.015 1.00 0.00 C ATOM 0 H LEU A 94 -2.024 -6.907 -19.168 1.00 0.00 H new ATOM 0 HA LEU A 94 0.339 -8.634 -19.010 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.819 -8.250 -21.213 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.097 -6.758 -21.288 1.00 0.00 H new ATOM 0 HG LEU A 94 1.750 -5.616 -20.009 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.967 -6.699 -19.898 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.751 -7.544 -18.910 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.243 -8.216 -20.483 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.308 -5.449 -21.930 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.538 -6.875 -22.666 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.603 -5.378 -22.438 1.00 0.00 H new ATOM 1570 N VAL A 95 0.929 -6.571 -17.316 1.00 0.00 N ATOM 1571 CA VAL A 95 0.814 -5.682 -16.159 1.00 0.00 C ATOM 1572 C VAL A 95 1.919 -4.630 -16.312 1.00 0.00 C ATOM 1573 O VAL A 95 3.033 -4.803 -15.791 1.00 0.00 O ATOM 1574 CB VAL A 95 0.939 -6.435 -14.787 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.683 -5.458 -13.614 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.015 -7.654 -14.730 1.00 0.00 C ATOM 0 H VAL A 95 1.734 -7.196 -17.283 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.178 -5.230 -16.140 1.00 0.00 H new ATOM 0 HB VAL A 95 1.955 -6.817 -14.693 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.773 -5.993 -12.669 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.416 -4.652 -13.646 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.320 -5.040 -13.701 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.093 -8.156 -13.769 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.044 -7.316 -14.849 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.234 -8.349 -15.532 1.00 0.00 H new ATOM 1586 N VAL A 96 1.631 -3.639 -17.186 1.00 0.00 N ATOM 1587 CA VAL A 96 2.508 -2.475 -17.444 1.00 0.00 C ATOM 1588 C VAL A 96 2.382 -1.478 -16.273 1.00 0.00 C ATOM 1589 O VAL A 96 1.269 -1.053 -15.941 1.00 0.00 O ATOM 1590 CB VAL A 96 2.156 -1.769 -18.821 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.122 -0.594 -19.146 1.00 0.00 C ATOM 1592 CG2 VAL A 96 2.136 -2.793 -19.985 1.00 0.00 C ATOM 0 H VAL A 96 0.773 -3.625 -17.738 1.00 0.00 H new ATOM 0 HA VAL A 96 3.538 -2.825 -17.519 1.00 0.00 H new ATOM 0 HB VAL A 96 1.157 -1.348 -18.710 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.840 -0.144 -20.098 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.061 0.156 -18.357 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.143 -0.970 -19.211 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.892 -2.281 -20.916 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.116 -3.261 -20.075 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.386 -3.558 -19.784 1.00 0.00 H new ATOM 1602 N VAL A 97 3.521 -1.109 -15.651 1.00 0.00 N ATOM 1603 CA VAL A 97 3.592 -0.326 -14.411 1.00 0.00 C ATOM 1604 C VAL A 97 4.561 0.860 -14.673 1.00 0.00 C ATOM 1605 O VAL A 97 5.750 0.634 -14.950 1.00 0.00 O ATOM 1606 CB VAL A 97 4.142 -1.206 -13.216 1.00 0.00 C ATOM 1607 CG1 VAL A 97 3.972 -0.482 -11.863 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.503 -2.630 -13.170 1.00 0.00 C ATOM 0 H VAL A 97 4.442 -1.358 -16.013 1.00 0.00 H new ATOM 0 HA VAL A 97 2.598 0.025 -14.133 1.00 0.00 H new ATOM 0 HB VAL A 97 5.207 -1.345 -13.401 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.359 -1.112 -11.062 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.522 0.459 -11.882 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.915 -0.281 -11.688 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.918 -3.188 -12.331 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.424 -2.541 -13.048 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.721 -3.157 -14.099 1.00 0.00 H new ATOM 1618 N HIS A 98 4.045 2.100 -14.628 1.00 0.00 N ATOM 1619 CA HIS A 98 4.790 3.312 -15.047 1.00 0.00 C ATOM 1620 C HIS A 98 5.770 3.737 -13.905 1.00 0.00 C ATOM 1621 O HIS A 98 5.417 3.617 -12.725 1.00 0.00 O ATOM 1622 CB HIS A 98 3.746 4.430 -15.350 1.00 0.00 C ATOM 1623 CG HIS A 98 4.276 5.646 -16.072 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.084 6.557 -15.455 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.108 6.022 -17.360 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.398 7.444 -16.379 1.00 0.00 C ATOM 1627 NE2 HIS A 98 4.831 7.160 -17.545 1.00 0.00 N ATOM 0 H HIS A 98 3.099 2.296 -14.301 1.00 0.00 H new ATOM 0 HA HIS A 98 5.385 3.125 -15.941 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.942 3.998 -15.946 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.305 4.754 -14.407 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.511 5.514 -18.103 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.038 8.297 -16.208 1.00 0.00 H new ATOM 0 HE2 HIS A 98 4.920 7.691 -18.411 1.00 0.00 H new ATOM 1635 N PRO A 99 7.012 4.238 -14.222 1.00 0.00 N ATOM 1636 CA PRO A 99 8.008 4.625 -13.189 1.00 0.00 C ATOM 1637 C PRO A 99 7.601 5.887 -12.400 1.00 0.00 C ATOM 1638 O PRO A 99 8.126 6.112 -11.324 1.00 0.00 O ATOM 1639 CB PRO A 99 9.294 4.888 -14.008 1.00 0.00 C ATOM 1640 CG PRO A 99 8.788 5.311 -15.350 1.00 0.00 C ATOM 1641 CD PRO A 99 7.552 4.468 -15.589 1.00 0.00 C ATOM 0 HA PRO A 99 8.117 3.850 -12.430 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.907 5.664 -13.550 1.00 0.00 H new ATOM 0 HB3 PRO A 99 9.912 3.993 -14.078 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.549 6.374 -15.364 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.536 5.142 -16.125 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.831 4.985 -16.222 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.797 3.529 -16.086 1.00 0.00 H new ATOM 1649 N MET A 100 6.705 6.727 -12.974 1.00 0.00 N ATOM 1650 CA MET A 100 6.248 7.978 -12.315 1.00 0.00 C ATOM 1651 C MET A 100 4.953 7.771 -11.524 1.00 0.00 C ATOM 1652 O MET A 100 4.566 8.641 -10.730 1.00 0.00 O ATOM 1653 CB MET A 100 6.081 9.146 -13.323 1.00 0.00 C ATOM 1654 CG MET A 100 7.374 9.564 -14.032 1.00 0.00 C ATOM 1655 SD MET A 100 7.239 11.179 -14.840 1.00 0.00 S ATOM 1656 CE MET A 100 5.889 10.930 -16.000 1.00 0.00 C ATOM 0 H MET A 100 6.285 6.563 -13.889 1.00 0.00 H new ATOM 0 HA MET A 100 7.035 8.251 -11.612 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.346 8.858 -14.075 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.676 10.009 -12.795 1.00 0.00 H new ATOM 0 HG2 MET A 100 8.188 9.592 -13.307 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.635 8.811 -14.776 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.570 11.893 -16.399 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.225 10.292 -16.817 1.00 0.00 H new ATOM 0 HE3 MET A 100 5.053 10.454 -15.488 1.00 0.00 H new ATOM 1666 N THR A 101 4.282 6.626 -11.716 1.00 0.00 N ATOM 1667 CA THR A 101 3.121 6.230 -10.903 1.00 0.00 C ATOM 1668 C THR A 101 3.624 5.536 -9.635 1.00 0.00 C ATOM 1669 O THR A 101 4.618 4.795 -9.688 1.00 0.00 O ATOM 1670 CB THR A 101 2.127 5.288 -11.675 1.00 0.00 C ATOM 1671 OG1 THR A 101 2.790 4.092 -12.114 1.00 0.00 O ATOM 1672 CG2 THR A 101 1.484 5.985 -12.887 1.00 0.00 C ATOM 0 H THR A 101 4.528 5.949 -12.438 1.00 0.00 H new ATOM 0 HA THR A 101 2.562 7.132 -10.655 1.00 0.00 H new ATOM 0 HB THR A 101 1.336 5.031 -10.970 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.760 4.234 -12.105 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.806 5.293 -13.387 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.927 6.860 -12.551 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.263 6.296 -13.583 1.00 0.00 H new ATOM 1680 N ALA A 102 2.908 5.774 -8.523 1.00 0.00 N ATOM 1681 CA ALA A 102 3.313 5.372 -7.162 1.00 0.00 C ATOM 1682 C ALA A 102 3.764 3.902 -7.061 1.00 0.00 C ATOM 1683 O ALA A 102 4.786 3.623 -6.417 1.00 0.00 O ATOM 1684 CB ALA A 102 2.165 5.637 -6.173 1.00 0.00 C ATOM 0 H ALA A 102 2.012 6.261 -8.544 1.00 0.00 H new ATOM 0 HA ALA A 102 4.181 5.979 -6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.472 5.338 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.920 6.699 -6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.288 5.062 -6.471 1.00 0.00 H new ATOM 1690 N LEU A 103 2.969 2.980 -7.680 1.00 0.00 N ATOM 1691 CA LEU A 103 3.247 1.521 -7.540 1.00 0.00 C ATOM 1692 C LEU A 103 4.671 1.251 -8.090 1.00 0.00 C ATOM 1693 O LEU A 103 5.510 0.656 -7.402 1.00 0.00 O ATOM 1694 CB LEU A 103 2.228 0.617 -8.312 1.00 0.00 C ATOM 1695 CG LEU A 103 2.326 -0.920 -7.983 1.00 0.00 C ATOM 1696 CD1 LEU A 103 1.886 -1.213 -6.526 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.539 -1.794 -8.999 1.00 0.00 C ATOM 0 H LEU A 103 2.161 3.210 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 103 3.156 1.267 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.218 0.959 -8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.380 0.755 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 103 3.376 -1.197 -8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.965 -2.282 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.530 -0.669 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.853 -0.894 -6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.638 -2.845 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.486 -1.513 -8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.940 -1.638 -10.000 1.00 0.00 H new ATOM 1709 N GLY A 104 4.945 1.771 -9.318 1.00 0.00 N ATOM 1710 CA GLY A 104 6.280 1.745 -9.908 1.00 0.00 C ATOM 1711 C GLY A 104 7.356 2.508 -9.161 1.00 0.00 C ATOM 1712 O GLY A 104 8.517 2.095 -9.201 1.00 0.00 O ATOM 0 H GLY A 104 4.241 2.213 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.596 0.705 -9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.215 2.145 -10.920 1.00 0.00 H new ATOM 1716 N ARG A 105 7.013 3.577 -8.407 1.00 0.00 N ATOM 1717 CA ARG A 105 8.052 4.395 -7.749 1.00 0.00 C ATOM 1718 C ARG A 105 8.482 3.674 -6.473 1.00 0.00 C ATOM 1719 O ARG A 105 9.633 3.788 -6.044 1.00 0.00 O ATOM 1720 CB ARG A 105 7.541 5.816 -7.367 1.00 0.00 C ATOM 1721 CG ARG A 105 7.046 6.667 -8.542 1.00 0.00 C ATOM 1722 CD ARG A 105 6.819 8.139 -8.176 1.00 0.00 C ATOM 1723 NE ARG A 105 8.076 8.808 -7.782 1.00 0.00 N ATOM 1724 CZ ARG A 105 8.169 10.036 -7.251 1.00 0.00 C ATOM 1725 NH1 ARG A 105 7.088 10.773 -7.031 1.00 0.00 N ATOM 1726 NH2 ARG A 105 9.354 10.527 -6.949 1.00 0.00 N ATOM 0 H ARG A 105 6.055 3.885 -8.243 1.00 0.00 H new ATOM 0 HA ARG A 105 8.878 4.520 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.729 5.712 -6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.346 6.352 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.772 6.610 -9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.114 6.246 -8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.381 8.661 -9.026 1.00 0.00 H new ATOM 0 HD3 ARG A 105 6.101 8.203 -7.358 1.00 0.00 H new ATOM 0 HE ARG A 105 8.945 8.293 -7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.165 10.408 -7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.180 11.705 -6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 105 10.194 9.974 -7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.431 11.460 -6.545 1.00 0.00 H new ATOM 1740 N GLU A 106 7.535 2.910 -5.889 1.00 0.00 N ATOM 1741 CA GLU A 106 7.695 2.278 -4.583 1.00 0.00 C ATOM 1742 C GLU A 106 8.356 0.906 -4.764 1.00 0.00 C ATOM 1743 O GLU A 106 9.240 0.531 -3.984 1.00 0.00 O ATOM 1744 CB GLU A 106 6.309 2.133 -3.893 1.00 0.00 C ATOM 1745 CG GLU A 106 6.358 1.681 -2.417 1.00 0.00 C ATOM 1746 CD GLU A 106 7.083 2.694 -1.509 1.00 0.00 C ATOM 1747 OE1 GLU A 106 6.469 3.723 -1.149 1.00 0.00 O ATOM 1748 OE2 GLU A 106 8.264 2.470 -1.154 1.00 0.00 O ATOM 0 H GLU A 106 6.632 2.719 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 106 8.330 2.896 -3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.791 3.091 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.712 1.416 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.341 1.535 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.862 0.716 -2.353 1.00 0.00 H new ATOM 1755 N MET A 107 7.917 0.153 -5.825 1.00 0.00 N ATOM 1756 CA MET A 107 8.447 -1.218 -6.067 1.00 0.00 C ATOM 1757 C MET A 107 9.935 -1.100 -6.502 1.00 0.00 C ATOM 1758 O MET A 107 10.682 -2.072 -6.437 1.00 0.00 O ATOM 1759 CB MET A 107 7.626 -1.967 -7.179 1.00 0.00 C ATOM 1760 CG MET A 107 6.323 -2.662 -6.716 1.00 0.00 C ATOM 1761 SD MET A 107 5.375 -3.379 -8.089 1.00 0.00 S ATOM 1762 CE MET A 107 6.513 -4.592 -8.775 1.00 0.00 C ATOM 0 H MET A 107 7.221 0.466 -6.501 1.00 0.00 H new ATOM 0 HA MET A 107 8.359 -1.797 -5.148 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.373 -1.249 -7.959 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.272 -2.718 -7.634 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.571 -3.448 -6.003 1.00 0.00 H new ATOM 0 HG3 MET A 107 5.700 -1.939 -6.190 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.013 -5.155 -9.563 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.382 -4.082 -9.190 1.00 0.00 H new ATOM 0 HE3 MET A 107 6.834 -5.275 -7.989 1.00 0.00 H new ATOM 1772 N GLY A 108 10.333 0.119 -6.958 1.00 0.00 N ATOM 1773 CA GLY A 108 11.736 0.448 -7.252 1.00 0.00 C ATOM 1774 C GLY A 108 11.973 0.888 -8.692 1.00 0.00 C ATOM 1775 O GLY A 108 13.060 1.385 -9.016 1.00 0.00 O ATOM 0 H GLY A 108 9.687 0.890 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.062 1.242 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.356 -0.423 -7.041 1.00 0.00 H new ATOM 1779 N LEU A 109 10.955 0.712 -9.551 1.00 0.00 N ATOM 1780 CA LEU A 109 11.052 0.865 -11.014 1.00 0.00 C ATOM 1781 C LEU A 109 11.370 2.337 -11.411 1.00 0.00 C ATOM 1782 O LEU A 109 10.653 3.266 -11.019 1.00 0.00 O ATOM 1783 CB LEU A 109 9.715 0.388 -11.670 1.00 0.00 C ATOM 1784 CG LEU A 109 9.065 -0.905 -11.049 1.00 0.00 C ATOM 1785 CD1 LEU A 109 7.708 -1.234 -11.701 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.016 -2.122 -11.102 1.00 0.00 C ATOM 0 H LEU A 109 10.019 0.453 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 109 11.874 0.250 -11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.992 1.201 -11.606 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.898 0.206 -12.729 1.00 0.00 H new ATOM 0 HG LEU A 109 8.883 -0.683 -9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.293 -2.133 -11.244 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.021 -0.401 -11.552 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.848 -1.401 -12.769 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.523 -2.989 -10.662 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.273 -2.338 -12.139 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.924 -1.899 -10.542 1.00 0.00 H new ATOM 1798 N GLU A 110 12.471 2.516 -12.165 1.00 0.00 N ATOM 1799 CA GLU A 110 12.926 3.824 -12.727 1.00 0.00 C ATOM 1800 C GLU A 110 12.812 3.798 -14.274 1.00 0.00 C ATOM 1801 O GLU A 110 13.424 4.595 -14.992 1.00 0.00 O ATOM 1802 CB GLU A 110 14.381 4.077 -12.279 1.00 0.00 C ATOM 1803 CG GLU A 110 15.361 2.971 -12.703 1.00 0.00 C ATOM 1804 CD GLU A 110 16.757 3.117 -12.070 1.00 0.00 C ATOM 1805 OE1 GLU A 110 16.889 2.895 -10.849 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.724 3.455 -12.781 1.00 0.00 O ATOM 0 H GLU A 110 13.090 1.744 -12.412 1.00 0.00 H new ATOM 0 HA GLU A 110 12.297 4.635 -12.359 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.719 5.027 -12.693 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.406 4.175 -11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.945 2.002 -12.428 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.459 2.979 -13.789 1.00 0.00 H new ATOM 1813 N GLU A 111 11.964 2.875 -14.712 1.00 0.00 N ATOM 1814 CA GLU A 111 11.613 2.686 -16.138 1.00 0.00 C ATOM 1815 C GLU A 111 10.231 2.036 -16.222 1.00 0.00 C ATOM 1816 O GLU A 111 9.758 1.451 -15.227 1.00 0.00 O ATOM 1817 CB GLU A 111 12.680 1.823 -16.888 1.00 0.00 C ATOM 1818 CG GLU A 111 12.848 0.356 -16.397 1.00 0.00 C ATOM 1819 CD GLU A 111 13.474 0.231 -14.989 1.00 0.00 C ATOM 1820 OE1 GLU A 111 14.715 0.268 -14.874 1.00 0.00 O ATOM 1821 OE2 GLU A 111 12.724 0.109 -13.992 1.00 0.00 O ATOM 0 H GLU A 111 11.488 2.222 -14.089 1.00 0.00 H new ATOM 0 HA GLU A 111 11.595 3.659 -16.629 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.421 1.802 -17.946 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.645 2.324 -16.806 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.872 -0.129 -16.394 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.470 -0.186 -17.109 1.00 0.00 H new ATOM 1828 N MET A 112 9.553 2.163 -17.390 1.00 0.00 N ATOM 1829 CA MET A 112 8.249 1.539 -17.599 1.00 0.00 C ATOM 1830 C MET A 112 8.434 0.026 -17.696 1.00 0.00 C ATOM 1831 O MET A 112 9.178 -0.469 -18.534 1.00 0.00 O ATOM 1832 CB MET A 112 7.516 2.076 -18.851 1.00 0.00 C ATOM 1833 CG MET A 112 6.184 1.363 -19.118 1.00 0.00 C ATOM 1834 SD MET A 112 5.180 2.135 -20.395 1.00 0.00 S ATOM 1835 CE MET A 112 4.286 3.315 -19.399 1.00 0.00 C ATOM 0 H MET A 112 9.897 2.693 -18.191 1.00 0.00 H new ATOM 0 HA MET A 112 7.618 1.792 -16.747 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.332 3.143 -18.728 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.163 1.963 -19.721 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.388 0.331 -19.405 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.611 1.329 -18.192 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.284 2.936 -19.198 1.00 0.00 H new ATOM 0 HE2 MET A 112 4.812 3.468 -18.457 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.215 4.262 -19.933 1.00 0.00 H new ATOM 1845 N THR A 113 7.764 -0.651 -16.788 1.00 0.00 N ATOM 1846 CA THR A 113 7.915 -2.095 -16.627 1.00 0.00 C ATOM 1847 C THR A 113 6.633 -2.809 -17.104 1.00 0.00 C ATOM 1848 O THR A 113 5.609 -2.165 -17.281 1.00 0.00 O ATOM 1849 CB THR A 113 8.261 -2.438 -15.148 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.256 -1.514 -14.666 1.00 0.00 O ATOM 1851 CG2 THR A 113 8.812 -3.864 -14.999 1.00 0.00 C ATOM 0 H THR A 113 7.101 -0.226 -16.140 1.00 0.00 H new ATOM 0 HA THR A 113 8.742 -2.450 -17.243 1.00 0.00 H new ATOM 0 HB THR A 113 7.340 -2.364 -14.571 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.057 -2.009 -14.394 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.039 -4.059 -13.951 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.068 -4.580 -15.348 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.721 -3.967 -15.592 1.00 0.00 H new ATOM 1859 N GLY A 114 6.738 -4.116 -17.387 1.00 0.00 N ATOM 1860 CA GLY A 114 5.534 -4.937 -17.566 1.00 0.00 C ATOM 1861 C GLY A 114 5.804 -6.418 -17.496 1.00 0.00 C ATOM 1862 O GLY A 114 6.731 -6.914 -18.157 1.00 0.00 O ATOM 0 H GLY A 114 7.621 -4.616 -17.494 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.805 -4.671 -16.800 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.083 -4.702 -18.530 1.00 0.00 H new ATOM 1866 N PHE A 115 4.993 -7.167 -16.718 1.00 0.00 N ATOM 1867 CA PHE A 115 5.243 -8.605 -16.480 1.00 0.00 C ATOM 1868 C PHE A 115 3.986 -9.398 -16.943 1.00 0.00 C ATOM 1869 O PHE A 115 2.904 -8.797 -17.110 1.00 0.00 O ATOM 1870 CB PHE A 115 5.464 -8.883 -14.958 1.00 0.00 C ATOM 1871 CG PHE A 115 6.317 -7.878 -14.163 1.00 0.00 C ATOM 1872 CD1 PHE A 115 5.791 -6.640 -13.772 1.00 0.00 C ATOM 1873 CD2 PHE A 115 7.603 -8.199 -13.743 1.00 0.00 C ATOM 1874 CE1 PHE A 115 6.530 -5.773 -12.992 1.00 0.00 C ATOM 1875 CE2 PHE A 115 8.343 -7.330 -12.976 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.807 -6.118 -12.597 1.00 0.00 C ATOM 0 H PHE A 115 4.165 -6.803 -16.247 1.00 0.00 H new ATOM 0 HA PHE A 115 6.134 -8.909 -17.030 1.00 0.00 H new ATOM 0 HB2 PHE A 115 4.485 -8.942 -14.482 1.00 0.00 H new ATOM 0 HB3 PHE A 115 5.926 -9.866 -14.860 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.796 -6.360 -14.084 1.00 0.00 H new ATOM 0 HD2 PHE A 115 8.029 -9.150 -14.025 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.109 -4.825 -12.691 1.00 0.00 H new ATOM 0 HE2 PHE A 115 9.344 -7.597 -12.671 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.387 -5.438 -11.991 1.00 0.00 H new ATOM 1886 N SER A 116 4.128 -10.749 -17.047 1.00 0.00 N ATOM 1887 CA SER A 116 2.927 -11.606 -17.267 1.00 0.00 C ATOM 1888 C SER A 116 3.168 -13.138 -17.064 1.00 0.00 C ATOM 1889 O SER A 116 4.295 -13.641 -16.920 1.00 0.00 O ATOM 1890 CB SER A 116 2.381 -11.341 -18.716 1.00 0.00 C ATOM 1891 OG SER A 116 1.136 -11.985 -18.944 1.00 0.00 O ATOM 0 H SER A 116 5.015 -11.249 -16.986 1.00 0.00 H new ATOM 0 HA SER A 116 2.202 -11.326 -16.503 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.267 -10.268 -18.869 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.109 -11.692 -19.447 1.00 0.00 H new ATOM 0 HG SER A 116 0.556 -11.397 -19.472 1.00 0.00 H new ATOM 1897 N LYS A 117 2.046 -13.868 -17.082 1.00 0.00 N ATOM 1898 CA LYS A 117 1.984 -15.339 -17.078 1.00 0.00 C ATOM 1899 C LYS A 117 1.914 -15.861 -18.524 1.00 0.00 C ATOM 1900 O LYS A 117 2.106 -17.049 -18.776 1.00 0.00 O ATOM 1901 CB LYS A 117 0.730 -15.784 -16.270 1.00 0.00 C ATOM 1902 CG LYS A 117 0.840 -15.557 -14.739 1.00 0.00 C ATOM 1903 CD LYS A 117 1.675 -16.659 -14.034 1.00 0.00 C ATOM 1904 CE LYS A 117 0.995 -18.038 -14.112 1.00 0.00 C ATOM 1905 NZ LYS A 117 1.787 -19.100 -13.452 1.00 0.00 N ATOM 0 H LYS A 117 1.122 -13.437 -17.100 1.00 0.00 H new ATOM 0 HA LYS A 117 2.878 -15.752 -16.610 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -0.139 -15.242 -16.644 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.550 -16.843 -16.456 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.295 -14.585 -14.551 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.160 -15.530 -14.306 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.662 -16.715 -14.493 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.825 -16.387 -12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.011 -17.981 -13.646 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.838 -18.303 -15.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.286 -20.008 -13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.717 -19.176 -13.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.916 -18.864 -12.447 1.00 0.00 H new ATOM 1919 N THR A 118 1.657 -14.936 -19.460 1.00 0.00 N ATOM 1920 CA THR A 118 1.474 -15.225 -20.882 1.00 0.00 C ATOM 1921 C THR A 118 2.582 -14.530 -21.682 1.00 0.00 C ATOM 1922 O THR A 118 3.103 -13.492 -21.246 1.00 0.00 O ATOM 1923 CB THR A 118 0.073 -14.713 -21.376 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.074 -13.301 -21.136 1.00 0.00 O ATOM 1925 CG2 THR A 118 -1.094 -15.448 -20.693 1.00 0.00 C ATOM 0 H THR A 118 1.569 -13.944 -19.240 1.00 0.00 H new ATOM 0 HA THR A 118 1.522 -16.304 -21.032 1.00 0.00 H new ATOM 0 HB THR A 118 0.037 -14.918 -22.446 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.313 -13.075 -20.264 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.040 -15.057 -21.069 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.030 -16.514 -20.910 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.040 -15.294 -19.615 1.00 0.00 H new ATOM 1933 N THR A 119 2.947 -15.110 -22.840 1.00 0.00 N ATOM 1934 CA THR A 119 3.894 -14.484 -23.769 1.00 0.00 C ATOM 1935 C THR A 119 3.271 -13.207 -24.357 1.00 0.00 C ATOM 1936 O THR A 119 2.044 -13.123 -24.547 1.00 0.00 O ATOM 1937 CB THR A 119 4.353 -15.458 -24.912 1.00 0.00 C ATOM 1938 OG1 THR A 119 5.318 -14.807 -25.759 1.00 0.00 O ATOM 1939 CG2 THR A 119 3.185 -15.972 -25.777 1.00 0.00 C ATOM 0 H THR A 119 2.596 -16.016 -23.152 1.00 0.00 H new ATOM 0 HA THR A 119 4.791 -14.228 -23.205 1.00 0.00 H new ATOM 0 HB THR A 119 4.797 -16.323 -24.419 1.00 0.00 H new ATOM 0 HG1 THR A 119 5.599 -15.423 -26.468 1.00 0.00 H new ATOM 0 HG21 THR A 119 3.570 -16.640 -26.548 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.477 -16.513 -25.149 1.00 0.00 H new ATOM 0 HG23 THR A 119 2.681 -15.127 -26.247 1.00 0.00 H new ATOM 1947 N PHE A 120 4.128 -12.216 -24.611 1.00 0.00 N ATOM 1948 CA PHE A 120 3.706 -10.894 -25.080 1.00 0.00 C ATOM 1949 C PHE A 120 3.281 -10.956 -26.566 1.00 0.00 C ATOM 1950 O PHE A 120 2.086 -10.751 -26.872 1.00 0.00 O ATOM 1951 CB PHE A 120 4.823 -9.836 -24.865 1.00 0.00 C ATOM 1952 CG PHE A 120 5.213 -9.518 -23.403 1.00 0.00 C ATOM 1953 CD1 PHE A 120 5.267 -10.509 -22.413 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.551 -8.211 -23.031 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.653 -10.204 -21.116 1.00 0.00 C ATOM 1956 CE2 PHE A 120 5.945 -7.911 -21.740 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.992 -8.908 -20.781 1.00 0.00 C ATOM 1958 OXT PHE A 120 4.151 -11.224 -27.420 1.00 0.00 O ATOM 0 H PHE A 120 5.137 -12.308 -24.497 1.00 0.00 H new ATOM 0 HA PHE A 120 2.844 -10.586 -24.489 1.00 0.00 H new ATOM 0 HB2 PHE A 120 5.717 -10.175 -25.388 1.00 0.00 H new ATOM 0 HB3 PHE A 120 4.507 -8.908 -25.342 1.00 0.00 H new ATOM 0 HD1 PHE A 120 5.004 -11.526 -22.664 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.503 -7.422 -23.767 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.688 -10.981 -20.367 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.216 -6.898 -21.480 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.294 -8.672 -19.771 1.00 0.00 H new