USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 695 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 143 CYS SG : rot -0:sc= -1.43! USER MOD Set 1.2: B 473 CYS SG : rot 57:sc= 0.362 USER MOD Set 2.1: A 90 GLN : amide:sc= 0 X(o=-0.23,f=-0.72) USER MOD Set 2.2: A 91 ASN : amide:sc= -0.234 K(o=-0.23,f=-6.6!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.725 K(o=-0.72,f=-0.011) USER MOD Single : A 98 SER OG : rot 70:sc= 1.17 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 100:sc= 1.33 USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 109 HIS : no HD1:sc= -1.72! C(o=-1.7!,f=-7.1!) USER MOD Single : A 112 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.41) USER MOD Single : A 114 MET CE :methyl -178:sc= -0.813 (180deg=-0.821) USER MOD Single : A 116 ASN : amide:sc= -0.0737 K(o=-0.074,f=-1.3!) USER MOD Single : A 119 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.5) USER MOD Single : A 123 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0223) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl 167:sc= -0.146 (180deg=-0.509) USER MOD Single : A 130 TYR OH : rot -30:sc= -0.471 USER MOD Single : A 131 MET CE :methyl 156:sc= -2.38 (180deg=-3.29!) USER MOD Single : A 132 GLN : amide:sc= -0.0184 K(o=-0.018,f=-0.65) USER MOD Single : A 142 CYS SG : rot 74:sc= 0.0351 USER MOD Single : B 465 HIS : no HD1:sc= 0.678 K(o=0.68,f=-6.7!) USER MOD Single : B 468 ASN : amide:sc= 0.638 K(o=0.64,f=-2.6) USER MOD Single : B 472 GLN : amide:sc= -5.64! C(o=-5.6!,f=-10!) USER MOD Single : B 476 TYR OH : rot 180:sc= 0 USER MOD Single : B 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ARG A 86 -2.256 -12.213 -0.405 1.00 0.00 N ATOM 71 CA ARG A 86 -1.493 -11.670 -1.514 1.00 0.00 C ATOM 72 C ARG A 86 -2.420 -11.301 -2.665 1.00 0.00 C ATOM 73 O ARG A 86 -3.292 -12.078 -3.060 1.00 0.00 O ATOM 74 CB ARG A 86 -0.428 -12.663 -1.982 1.00 0.00 C ATOM 75 CG ARG A 86 0.565 -13.056 -0.896 1.00 0.00 C ATOM 76 CD ARG A 86 1.271 -11.846 -0.301 1.00 0.00 C ATOM 77 NE ARG A 86 2.318 -12.237 0.641 1.00 0.00 N ATOM 78 CZ ARG A 86 2.936 -11.394 1.470 1.00 0.00 C ATOM 79 NH1 ARG A 86 2.571 -10.121 1.530 1.00 0.00 N ATOM 80 NH2 ARG A 86 3.907 -11.832 2.257 1.00 0.00 N ATOM 0 HA ARG A 86 -0.987 -10.768 -1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.921 -13.562 -2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.117 -12.229 -2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.043 -13.595 -0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.306 -13.739 -1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.707 -11.249 -1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.543 -11.214 0.207 1.00 0.00 H new ATOM 0 HE ARG A 86 2.594 -13.219 0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.813 -9.780 0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.049 -9.483 2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.182 -12.814 2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.380 -11.188 2.891 1.00 0.00 H new ATOM 94 N VAL A 87 -2.219 -10.109 -3.198 1.00 0.00 N ATOM 95 CA VAL A 87 -3.089 -9.570 -4.231 1.00 0.00 C ATOM 96 C VAL A 87 -2.393 -9.592 -5.588 1.00 0.00 C ATOM 97 O VAL A 87 -1.210 -9.264 -5.696 1.00 0.00 O ATOM 98 CB VAL A 87 -3.510 -8.124 -3.892 1.00 0.00 C ATOM 99 CG1 VAL A 87 -4.368 -7.529 -4.996 1.00 0.00 C ATOM 100 CG2 VAL A 87 -4.253 -8.084 -2.565 1.00 0.00 C ATOM 0 H VAL A 87 -1.454 -9.490 -2.930 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.979 -10.198 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.605 -7.522 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.649 -6.510 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.804 -7.517 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.267 -8.132 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.543 -7.057 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.145 -8.707 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.604 -8.459 -1.773 1.00 0.00 H new ATOM 110 N SER A 88 -3.134 -9.989 -6.614 1.00 0.00 N ATOM 111 CA SER A 88 -2.611 -10.037 -7.970 1.00 0.00 C ATOM 112 C SER A 88 -2.424 -8.621 -8.513 1.00 0.00 C ATOM 113 O SER A 88 -3.200 -7.714 -8.202 1.00 0.00 O ATOM 114 CB SER A 88 -3.576 -10.822 -8.857 1.00 0.00 C ATOM 115 OG SER A 88 -3.831 -12.108 -8.314 1.00 0.00 O ATOM 0 H SER A 88 -4.107 -10.284 -6.530 1.00 0.00 H new ATOM 0 HA SER A 88 -1.641 -10.535 -7.966 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.512 -10.273 -8.957 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.156 -10.922 -9.858 1.00 0.00 H new ATOM 0 HG SER A 88 -4.452 -12.592 -8.897 1.00 0.00 H new ATOM 121 N LEU A 89 -1.385 -8.453 -9.333 1.00 0.00 N ATOM 122 CA LEU A 89 -1.017 -7.152 -9.881 1.00 0.00 C ATOM 123 C LEU A 89 -2.156 -6.546 -10.683 1.00 0.00 C ATOM 124 O LEU A 89 -2.306 -5.331 -10.723 1.00 0.00 O ATOM 125 CB LEU A 89 0.224 -7.277 -10.770 1.00 0.00 C ATOM 126 CG LEU A 89 1.447 -6.475 -10.315 1.00 0.00 C ATOM 127 CD1 LEU A 89 1.127 -4.987 -10.254 1.00 0.00 C ATOM 128 CD2 LEU A 89 1.935 -6.975 -8.966 1.00 0.00 C ATOM 0 H LEU A 89 -0.778 -9.215 -9.634 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.797 -6.493 -9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.503 -8.329 -10.828 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.041 -6.961 -11.779 1.00 0.00 H new ATOM 0 HG LEU A 89 2.243 -6.619 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.011 -4.438 -9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.827 -4.639 -11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.314 -4.818 -9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.805 -6.395 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.141 -6.862 -8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.210 -8.027 -9.045 1.00 0.00 H new ATOM 140 N GLN A 90 -2.954 -7.398 -11.318 1.00 0.00 N ATOM 141 CA GLN A 90 -4.104 -6.941 -12.088 1.00 0.00 C ATOM 142 C GLN A 90 -5.043 -6.111 -11.215 1.00 0.00 C ATOM 143 O GLN A 90 -5.572 -5.094 -11.653 1.00 0.00 O ATOM 144 CB GLN A 90 -4.855 -8.128 -12.700 1.00 0.00 C ATOM 145 CG GLN A 90 -5.382 -9.119 -11.673 1.00 0.00 C ATOM 146 CD GLN A 90 -6.185 -10.240 -12.298 1.00 0.00 C ATOM 147 OE1 GLN A 90 -5.929 -10.646 -13.432 1.00 0.00 O ATOM 148 NE2 GLN A 90 -7.162 -10.746 -11.564 1.00 0.00 N ATOM 0 H GLN A 90 -2.825 -8.410 -11.314 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.738 -6.311 -12.899 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.691 -7.752 -13.290 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.190 -8.651 -13.387 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.544 -9.543 -11.120 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.005 -8.591 -10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.340 -10.380 -10.629 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.738 -11.503 -11.933 1.00 0.00 H new ATOM 157 N ASN A 91 -5.212 -6.536 -9.969 1.00 0.00 N ATOM 158 CA ASN A 91 -6.067 -5.832 -9.021 1.00 0.00 C ATOM 159 C ASN A 91 -5.429 -4.514 -8.620 1.00 0.00 C ATOM 160 O ASN A 91 -6.101 -3.488 -8.526 1.00 0.00 O ATOM 161 CB ASN A 91 -6.310 -6.686 -7.773 1.00 0.00 C ATOM 162 CG ASN A 91 -7.196 -7.889 -8.033 1.00 0.00 C ATOM 163 OD1 ASN A 91 -7.245 -8.420 -9.140 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.894 -8.339 -7.003 1.00 0.00 N ATOM 0 H ASN A 91 -4.765 -7.371 -9.589 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.024 -5.637 -9.505 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.351 -7.027 -7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.767 -6.067 -7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.498 -9.153 -7.113 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.828 -7.872 -6.099 1.00 0.00 H new ATOM 171 N LEU A 92 -4.117 -4.551 -8.418 1.00 0.00 N ATOM 172 CA LEU A 92 -3.365 -3.378 -7.991 1.00 0.00 C ATOM 173 C LEU A 92 -3.331 -2.337 -9.107 1.00 0.00 C ATOM 174 O LEU A 92 -3.309 -1.142 -8.849 1.00 0.00 O ATOM 175 CB LEU A 92 -1.940 -3.784 -7.587 1.00 0.00 C ATOM 176 CG LEU A 92 -1.855 -4.867 -6.510 1.00 0.00 C ATOM 177 CD1 LEU A 92 -0.414 -5.305 -6.309 1.00 0.00 C ATOM 178 CD2 LEU A 92 -2.440 -4.362 -5.200 1.00 0.00 C ATOM 0 H LEU A 92 -3.548 -5.388 -8.545 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.859 -2.937 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.413 -4.134 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.413 -2.898 -7.232 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.437 -5.727 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.372 -6.076 -5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.021 -5.704 -7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.186 -4.450 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.371 -5.145 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.883 -3.486 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.486 -4.092 -5.349 1.00 0.00 H new ATOM 190 N LYS A 93 -3.348 -2.802 -10.348 1.00 0.00 N ATOM 191 CA LYS A 93 -3.346 -1.910 -11.506 1.00 0.00 C ATOM 192 C LYS A 93 -4.572 -0.996 -11.527 1.00 0.00 C ATOM 193 O LYS A 93 -4.513 0.119 -12.049 1.00 0.00 O ATOM 194 CB LYS A 93 -3.284 -2.724 -12.796 1.00 0.00 C ATOM 195 CG LYS A 93 -1.941 -3.394 -13.025 1.00 0.00 C ATOM 196 CD LYS A 93 -1.947 -4.253 -14.280 1.00 0.00 C ATOM 197 CE LYS A 93 -2.129 -3.418 -15.537 1.00 0.00 C ATOM 198 NZ LYS A 93 -2.069 -4.251 -16.765 1.00 0.00 N ATOM 0 H LYS A 93 -3.363 -3.795 -10.583 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.462 -1.277 -11.429 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.062 -3.487 -12.773 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.504 -2.070 -13.640 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.165 -2.634 -13.108 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.691 -4.012 -12.162 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.011 -4.808 -14.345 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.749 -4.988 -14.213 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.088 -2.901 -15.495 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.355 -2.651 -15.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.197 -3.646 -17.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.145 -4.724 -16.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.823 -4.966 -16.736 1.00 0.00 H new ATOM 212 N ASN A 94 -5.675 -1.461 -10.946 1.00 0.00 N ATOM 213 CA ASN A 94 -6.918 -0.689 -10.935 1.00 0.00 C ATOM 214 C ASN A 94 -6.830 0.500 -9.986 1.00 0.00 C ATOM 215 O ASN A 94 -7.649 1.417 -10.057 1.00 0.00 O ATOM 216 CB ASN A 94 -8.118 -1.553 -10.535 1.00 0.00 C ATOM 217 CG ASN A 94 -8.458 -2.616 -11.557 1.00 0.00 C ATOM 218 OD1 ASN A 94 -9.142 -2.350 -12.546 1.00 0.00 O ATOM 219 ND2 ASN A 94 -8.015 -3.834 -11.307 1.00 0.00 N ATOM 0 H ASN A 94 -5.735 -2.365 -10.478 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.062 -0.327 -11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.909 -2.032 -9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.986 -0.911 -10.387 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.237 -4.598 -11.945 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.451 -4.011 -10.476 1.00 0.00 H new ATOM 226 N LEU A 95 -5.847 0.473 -9.093 1.00 0.00 N ATOM 227 CA LEU A 95 -5.689 1.516 -8.083 1.00 0.00 C ATOM 228 C LEU A 95 -5.588 2.900 -8.718 1.00 0.00 C ATOM 229 O LEU A 95 -6.381 3.791 -8.408 1.00 0.00 O ATOM 230 CB LEU A 95 -4.451 1.238 -7.231 1.00 0.00 C ATOM 231 CG LEU A 95 -4.506 -0.044 -6.399 1.00 0.00 C ATOM 232 CD1 LEU A 95 -3.202 -0.244 -5.650 1.00 0.00 C ATOM 233 CD2 LEU A 95 -5.676 -0.018 -5.432 1.00 0.00 C ATOM 0 H LEU A 95 -5.143 -0.264 -9.047 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.575 1.503 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.582 1.189 -7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.296 2.082 -6.559 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.651 -0.883 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.257 -1.160 -5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.381 -0.318 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.030 0.603 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.691 -0.942 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.571 0.831 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.607 0.075 -5.990 1.00 0.00 H new ATOM 245 N GLY A 96 -4.624 3.072 -9.614 1.00 0.00 N ATOM 246 CA GLY A 96 -4.438 4.353 -10.273 1.00 0.00 C ATOM 247 C GLY A 96 -5.603 4.722 -11.177 1.00 0.00 C ATOM 248 O GLY A 96 -5.817 5.897 -11.479 1.00 0.00 O ATOM 0 H GLY A 96 -3.966 2.346 -9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.308 5.129 -9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.521 4.324 -10.862 1.00 0.00 H new ATOM 252 N GLU A 97 -6.363 3.719 -11.602 1.00 0.00 N ATOM 253 CA GLU A 97 -7.508 3.937 -12.481 1.00 0.00 C ATOM 254 C GLU A 97 -8.716 4.425 -11.687 1.00 0.00 C ATOM 255 O GLU A 97 -9.643 5.022 -12.241 1.00 0.00 O ATOM 256 CB GLU A 97 -7.868 2.641 -13.209 1.00 0.00 C ATOM 257 CG GLU A 97 -6.731 2.062 -14.034 1.00 0.00 C ATOM 258 CD GLU A 97 -6.313 2.967 -15.173 1.00 0.00 C ATOM 259 OE1 GLU A 97 -6.926 2.883 -16.260 1.00 0.00 O ATOM 260 OE2 GLU A 97 -5.366 3.761 -14.996 1.00 0.00 O ATOM 0 H GLU A 97 -6.207 2.743 -11.351 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.234 4.700 -13.210 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.186 1.900 -12.475 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.720 2.828 -13.863 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.873 1.881 -13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.036 1.096 -14.437 1.00 0.00 H new ATOM 267 N SER A 98 -8.696 4.173 -10.388 1.00 0.00 N ATOM 268 CA SER A 98 -9.802 4.531 -9.520 1.00 0.00 C ATOM 269 C SER A 98 -9.755 6.016 -9.187 1.00 0.00 C ATOM 270 O SER A 98 -8.759 6.518 -8.654 1.00 0.00 O ATOM 271 CB SER A 98 -9.750 3.689 -8.249 1.00 0.00 C ATOM 272 OG SER A 98 -9.773 2.305 -8.563 1.00 0.00 O ATOM 0 H SER A 98 -7.918 3.718 -9.910 1.00 0.00 H new ATOM 0 HA SER A 98 -10.741 4.330 -10.035 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.846 3.925 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.597 3.936 -7.608 1.00 0.00 H new ATOM 0 HG SER A 98 -8.925 2.051 -8.984 1.00 0.00 H new ATOM 278 N ALA A 99 -10.844 6.707 -9.500 1.00 0.00 N ATOM 279 CA ALA A 99 -10.908 8.157 -9.382 1.00 0.00 C ATOM 280 C ALA A 99 -10.780 8.616 -7.936 1.00 0.00 C ATOM 281 O ALA A 99 -10.295 9.712 -7.669 1.00 0.00 O ATOM 282 CB ALA A 99 -12.200 8.676 -9.991 1.00 0.00 C ATOM 0 H ALA A 99 -11.705 6.279 -9.842 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.062 8.570 -9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.236 9.761 -9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.241 8.402 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.050 8.238 -9.469 1.00 0.00 H new ATOM 288 N THR A 100 -11.193 7.773 -7.003 1.00 0.00 N ATOM 289 CA THR A 100 -11.142 8.132 -5.594 1.00 0.00 C ATOM 290 C THR A 100 -9.714 8.067 -5.069 1.00 0.00 C ATOM 291 O THR A 100 -9.274 8.937 -4.312 1.00 0.00 O ATOM 292 CB THR A 100 -12.037 7.210 -4.742 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.397 7.302 -5.188 1.00 0.00 O ATOM 294 CG2 THR A 100 -11.948 7.581 -3.268 1.00 0.00 C ATOM 0 H THR A 100 -11.565 6.842 -7.193 1.00 0.00 H new ATOM 0 HA THR A 100 -11.513 9.154 -5.512 1.00 0.00 H new ATOM 0 HB THR A 100 -11.687 6.185 -4.860 1.00 0.00 H new ATOM 0 HG1 THR A 100 -13.960 6.713 -4.644 1.00 0.00 H new ATOM 0 HG21 THR A 100 -12.588 6.917 -2.686 1.00 0.00 H new ATOM 0 HG22 THR A 100 -10.917 7.480 -2.929 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.276 8.612 -3.132 1.00 0.00 H new ATOM 302 N LEU A 101 -8.979 7.058 -5.508 1.00 0.00 N ATOM 303 CA LEU A 101 -7.660 6.803 -4.963 1.00 0.00 C ATOM 304 C LEU A 101 -6.670 7.846 -5.454 1.00 0.00 C ATOM 305 O LEU A 101 -5.947 8.446 -4.668 1.00 0.00 O ATOM 306 CB LEU A 101 -7.172 5.406 -5.336 1.00 0.00 C ATOM 307 CG LEU A 101 -5.899 4.975 -4.613 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.152 4.840 -3.123 1.00 0.00 C ATOM 309 CD2 LEU A 101 -5.368 3.680 -5.186 1.00 0.00 C ATOM 0 H LEU A 101 -9.273 6.407 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.731 6.864 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.962 4.687 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.996 5.370 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.143 5.746 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.233 4.532 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.479 5.799 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.926 4.092 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.460 3.392 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.118 2.897 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.142 3.816 -6.244 1.00 0.00 H new ATOM 321 N ARG A 102 -6.660 8.078 -6.752 1.00 0.00 N ATOM 322 CA ARG A 102 -5.757 9.060 -7.330 1.00 0.00 C ATOM 323 C ARG A 102 -5.969 10.436 -6.697 1.00 0.00 C ATOM 324 O ARG A 102 -5.020 11.191 -6.514 1.00 0.00 O ATOM 325 CB ARG A 102 -5.952 9.142 -8.841 1.00 0.00 C ATOM 326 CG ARG A 102 -7.399 9.337 -9.253 1.00 0.00 C ATOM 327 CD ARG A 102 -7.518 9.670 -10.731 1.00 0.00 C ATOM 328 NE ARG A 102 -6.923 8.629 -11.570 1.00 0.00 N ATOM 329 CZ ARG A 102 -6.976 8.618 -12.901 1.00 0.00 C ATOM 330 NH1 ARG A 102 -7.606 9.588 -13.554 1.00 0.00 N ATOM 331 NH2 ARG A 102 -6.402 7.630 -13.577 1.00 0.00 N ATOM 0 H ARG A 102 -7.262 7.604 -7.425 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.736 8.740 -7.124 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.356 9.967 -9.232 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.572 8.229 -9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.965 8.431 -9.037 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.842 10.139 -8.662 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.569 9.792 -10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -7.027 10.623 -10.930 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.436 7.862 -11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.052 10.345 -13.036 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.644 9.576 -14.573 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.922 6.882 -13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.441 7.619 -14.596 1.00 0.00 H new ATOM 345 N SER A 103 -7.214 10.733 -6.332 1.00 0.00 N ATOM 346 CA SER A 103 -7.563 12.027 -5.764 1.00 0.00 C ATOM 347 C SER A 103 -6.857 12.278 -4.435 1.00 0.00 C ATOM 348 O SER A 103 -6.370 13.384 -4.190 1.00 0.00 O ATOM 349 CB SER A 103 -9.075 12.133 -5.585 1.00 0.00 C ATOM 350 OG SER A 103 -9.734 12.104 -6.837 1.00 0.00 O ATOM 0 H SER A 103 -8.000 10.089 -6.421 1.00 0.00 H new ATOM 0 HA SER A 103 -7.226 12.792 -6.463 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.430 11.311 -4.963 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.320 13.057 -5.062 1.00 0.00 H new ATOM 0 HG SER A 103 -10.083 11.203 -7.002 1.00 0.00 H new ATOM 356 N LEU A 104 -6.786 11.268 -3.574 1.00 0.00 N ATOM 357 CA LEU A 104 -6.138 11.458 -2.282 1.00 0.00 C ATOM 358 C LEU A 104 -4.636 11.186 -2.359 1.00 0.00 C ATOM 359 O LEU A 104 -3.874 11.655 -1.517 1.00 0.00 O ATOM 360 CB LEU A 104 -6.838 10.684 -1.152 1.00 0.00 C ATOM 361 CG LEU A 104 -7.468 9.358 -1.534 1.00 0.00 C ATOM 362 CD1 LEU A 104 -6.389 8.355 -1.793 1.00 0.00 C ATOM 363 CD2 LEU A 104 -8.402 8.873 -0.439 1.00 0.00 C ATOM 0 H LEU A 104 -7.158 10.333 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.246 12.511 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.111 10.502 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.614 11.322 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.059 9.489 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.838 7.400 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.754 8.705 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.787 8.227 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.843 7.921 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.841 8.743 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.193 9.607 -0.284 1.00 0.00 H new ATOM 375 N LEU A 105 -4.202 10.468 -3.394 1.00 0.00 N ATOM 376 CA LEU A 105 -2.779 10.325 -3.687 1.00 0.00 C ATOM 377 C LEU A 105 -2.172 11.668 -4.064 1.00 0.00 C ATOM 378 O LEU A 105 -0.958 11.865 -3.989 1.00 0.00 O ATOM 379 CB LEU A 105 -2.565 9.341 -4.833 1.00 0.00 C ATOM 380 CG LEU A 105 -2.257 7.909 -4.413 1.00 0.00 C ATOM 381 CD1 LEU A 105 -3.371 7.337 -3.561 1.00 0.00 C ATOM 382 CD2 LEU A 105 -2.012 7.039 -5.635 1.00 0.00 C ATOM 0 H LEU A 105 -4.817 9.977 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.289 9.947 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.459 9.335 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.746 9.704 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.350 7.921 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.123 6.314 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.491 7.944 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.302 7.340 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.793 6.019 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.901 7.040 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.166 7.433 -6.198 1.00 0.00 H new ATOM 394 N LEU A 106 -3.031 12.586 -4.482 1.00 0.00 N ATOM 395 CA LEU A 106 -2.615 13.928 -4.853 1.00 0.00 C ATOM 396 C LEU A 106 -2.205 14.732 -3.623 1.00 0.00 C ATOM 397 O LEU A 106 -1.603 15.797 -3.740 1.00 0.00 O ATOM 398 CB LEU A 106 -3.743 14.626 -5.599 1.00 0.00 C ATOM 399 CG LEU A 106 -4.135 13.962 -6.917 1.00 0.00 C ATOM 400 CD1 LEU A 106 -5.322 14.667 -7.531 1.00 0.00 C ATOM 401 CD2 LEU A 106 -2.962 13.945 -7.888 1.00 0.00 C ATOM 0 H LEU A 106 -4.033 12.421 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.746 13.857 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.619 14.666 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.447 15.656 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.415 12.930 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.588 14.181 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.168 14.620 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.067 15.710 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.267 13.467 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.644 14.967 -8.092 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.134 13.389 -7.449 1.00 0.00 H new ATOM 413 N ASN A 107 -2.532 14.208 -2.447 1.00 0.00 N ATOM 414 CA ASN A 107 -2.123 14.829 -1.196 1.00 0.00 C ATOM 415 C ASN A 107 -0.665 14.496 -0.905 1.00 0.00 C ATOM 416 O ASN A 107 -0.299 13.325 -0.763 1.00 0.00 O ATOM 417 CB ASN A 107 -3.005 14.355 -0.035 1.00 0.00 C ATOM 418 CG ASN A 107 -4.448 14.801 -0.173 1.00 0.00 C ATOM 419 OD1 ASN A 107 -4.742 15.832 -0.782 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.359 14.031 0.401 1.00 0.00 N ATOM 0 H ASN A 107 -3.079 13.355 -2.335 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.237 15.908 -1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.970 13.267 0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.600 14.736 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.346 14.283 0.349 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.074 13.186 0.896 1.00 0.00 H new ATOM 427 N PRO A 108 0.188 15.534 -0.833 1.00 0.00 N ATOM 428 CA PRO A 108 1.631 15.381 -0.606 1.00 0.00 C ATOM 429 C PRO A 108 1.951 14.602 0.663 1.00 0.00 C ATOM 430 O PRO A 108 2.920 13.850 0.709 1.00 0.00 O ATOM 431 CB PRO A 108 2.137 16.820 -0.484 1.00 0.00 C ATOM 432 CG PRO A 108 1.126 17.643 -1.197 1.00 0.00 C ATOM 433 CD PRO A 108 -0.191 16.952 -0.986 1.00 0.00 C ATOM 0 HA PRO A 108 2.100 14.815 -1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.226 17.120 0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 108 3.124 16.931 -0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.101 18.659 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.362 17.718 -2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -0.705 17.328 -0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.862 17.100 -1.832 1.00 0.00 H new ATOM 441 N HIS A 109 1.130 14.772 1.690 1.00 0.00 N ATOM 442 CA HIS A 109 1.346 14.072 2.946 1.00 0.00 C ATOM 443 C HIS A 109 1.156 12.568 2.769 1.00 0.00 C ATOM 444 O HIS A 109 2.000 11.775 3.185 1.00 0.00 O ATOM 445 CB HIS A 109 0.401 14.598 4.028 1.00 0.00 C ATOM 446 CG HIS A 109 0.535 13.879 5.337 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.411 14.305 6.306 1.00 0.00 N ATOM 448 CD2 HIS A 109 -0.100 12.768 5.772 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.291 13.443 7.303 1.00 0.00 C ATOM 450 NE2 HIS A 109 0.384 12.497 7.023 1.00 0.00 N ATOM 0 H HIS A 109 0.314 15.384 1.678 1.00 0.00 H new ATOM 0 HA HIS A 109 2.373 14.257 3.260 1.00 0.00 H new ATOM 0 HB2 HIS A 109 0.594 15.659 4.184 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.627 14.509 3.677 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.847 12.202 5.235 1.00 0.00 H new ATOM 0 HE1 HIS A 109 1.852 13.495 8.224 1.00 0.00 H new ATOM 0 HE2 HIS A 109 0.107 11.723 7.627 1.00 0.00 H new ATOM 458 N LEU A 110 0.053 12.185 2.139 1.00 0.00 N ATOM 459 CA LEU A 110 -0.284 10.784 1.980 1.00 0.00 C ATOM 460 C LEU A 110 0.760 10.061 1.140 1.00 0.00 C ATOM 461 O LEU A 110 1.163 8.941 1.458 1.00 0.00 O ATOM 462 CB LEU A 110 -1.663 10.636 1.341 1.00 0.00 C ATOM 463 CG LEU A 110 -2.034 9.208 0.960 1.00 0.00 C ATOM 464 CD1 LEU A 110 -2.036 8.308 2.184 1.00 0.00 C ATOM 465 CD2 LEU A 110 -3.381 9.168 0.267 1.00 0.00 C ATOM 0 H LEU A 110 -0.623 12.830 1.730 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.301 10.330 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.413 11.020 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.704 11.259 0.448 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.282 8.838 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.303 7.293 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.044 8.305 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.762 8.679 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.625 8.139 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.146 9.563 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.343 9.774 -0.638 1.00 0.00 H new ATOM 477 N ARG A 111 1.211 10.707 0.076 1.00 0.00 N ATOM 478 CA ARG A 111 2.201 10.095 -0.796 1.00 0.00 C ATOM 479 C ARG A 111 3.521 9.927 -0.056 1.00 0.00 C ATOM 480 O ARG A 111 4.222 8.938 -0.251 1.00 0.00 O ATOM 481 CB ARG A 111 2.389 10.896 -2.091 1.00 0.00 C ATOM 482 CG ARG A 111 2.867 12.321 -1.890 1.00 0.00 C ATOM 483 CD ARG A 111 3.008 13.044 -3.217 1.00 0.00 C ATOM 484 NE ARG A 111 1.780 12.974 -4.008 1.00 0.00 N ATOM 485 CZ ARG A 111 1.653 13.476 -5.232 1.00 0.00 C ATOM 486 NH1 ARG A 111 2.657 14.138 -5.791 1.00 0.00 N ATOM 487 NH2 ARG A 111 0.516 13.322 -5.894 1.00 0.00 N ATOM 0 H ARG A 111 0.912 11.642 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 111 1.835 9.109 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.105 10.373 -2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.442 10.917 -2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.163 12.857 -1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.826 12.316 -1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.265 14.088 -3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.830 12.607 -3.783 1.00 0.00 H new ATOM 0 HE ARG A 111 0.971 12.511 -3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.532 14.264 -5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.555 14.521 -6.731 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.260 12.819 -5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.417 13.707 -6.833 1.00 0.00 H new ATOM 501 N GLN A 112 3.836 10.872 0.827 1.00 0.00 N ATOM 502 CA GLN A 112 5.031 10.770 1.653 1.00 0.00 C ATOM 503 C GLN A 112 4.910 9.631 2.651 1.00 0.00 C ATOM 504 O GLN A 112 5.908 9.023 3.030 1.00 0.00 O ATOM 505 CB GLN A 112 5.303 12.079 2.394 1.00 0.00 C ATOM 506 CG GLN A 112 5.939 13.142 1.519 1.00 0.00 C ATOM 507 CD GLN A 112 7.238 12.676 0.881 1.00 0.00 C ATOM 508 OE1 GLN A 112 7.586 13.093 -0.223 1.00 0.00 O ATOM 509 NE2 GLN A 112 7.972 11.816 1.575 1.00 0.00 N ATOM 0 H GLN A 112 3.281 11.713 0.987 1.00 0.00 H new ATOM 0 HA GLN A 112 5.869 10.565 0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.365 12.462 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.956 11.879 3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.237 13.430 0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.132 14.032 2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.651 11.492 2.488 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.857 11.479 1.196 1.00 0.00 H new ATOM 518 N LEU A 113 3.685 9.320 3.047 1.00 0.00 N ATOM 519 CA LEU A 113 3.452 8.239 3.985 1.00 0.00 C ATOM 520 C LEU A 113 3.748 6.938 3.286 1.00 0.00 C ATOM 521 O LEU A 113 4.562 6.133 3.741 1.00 0.00 O ATOM 522 CB LEU A 113 2.003 8.231 4.476 1.00 0.00 C ATOM 523 CG LEU A 113 1.593 9.392 5.378 1.00 0.00 C ATOM 524 CD1 LEU A 113 0.117 9.282 5.717 1.00 0.00 C ATOM 525 CD2 LEU A 113 2.427 9.404 6.647 1.00 0.00 C ATOM 0 H LEU A 113 2.842 9.800 2.733 1.00 0.00 H new ATOM 0 HA LEU A 113 4.099 8.374 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.346 8.224 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.829 7.300 5.015 1.00 0.00 H new ATOM 0 HG LEU A 113 1.768 10.328 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.171 10.113 6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.470 9.313 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.068 8.341 6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.119 10.239 7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.281 8.469 7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.480 9.513 6.389 1.00 0.00 H new ATOM 537 N MET A 114 3.104 6.774 2.148 1.00 0.00 N ATOM 538 CA MET A 114 3.274 5.614 1.316 1.00 0.00 C ATOM 539 C MET A 114 4.747 5.422 0.934 1.00 0.00 C ATOM 540 O MET A 114 5.266 4.309 0.996 1.00 0.00 O ATOM 541 CB MET A 114 2.380 5.770 0.089 1.00 0.00 C ATOM 542 CG MET A 114 2.749 4.848 -1.035 1.00 0.00 C ATOM 543 SD MET A 114 1.503 4.780 -2.335 1.00 0.00 S ATOM 544 CE MET A 114 1.514 6.473 -2.902 1.00 0.00 C ATOM 0 H MET A 114 2.441 7.454 1.776 1.00 0.00 H new ATOM 0 HA MET A 114 2.980 4.716 1.859 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.345 5.585 0.376 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.434 6.800 -0.263 1.00 0.00 H new ATOM 0 HG2 MET A 114 3.697 5.171 -1.465 1.00 0.00 H new ATOM 0 HG3 MET A 114 2.905 3.845 -0.637 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.766 6.599 -3.685 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.283 7.137 -2.069 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.500 6.718 -3.298 1.00 0.00 H new ATOM 554 N VAL A 115 5.422 6.515 0.582 1.00 0.00 N ATOM 555 CA VAL A 115 6.837 6.476 0.250 1.00 0.00 C ATOM 556 C VAL A 115 7.675 6.034 1.450 1.00 0.00 C ATOM 557 O VAL A 115 8.547 5.175 1.325 1.00 0.00 O ATOM 558 CB VAL A 115 7.314 7.857 -0.254 1.00 0.00 C ATOM 559 CG1 VAL A 115 8.824 7.967 -0.206 1.00 0.00 C ATOM 560 CG2 VAL A 115 6.814 8.108 -1.669 1.00 0.00 C ATOM 0 H VAL A 115 5.004 7.443 0.520 1.00 0.00 H new ATOM 0 HA VAL A 115 6.972 5.744 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 115 6.898 8.616 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.129 8.949 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.166 7.835 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.265 7.196 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.159 9.085 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.200 7.335 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.724 8.084 -1.679 1.00 0.00 H new ATOM 570 N ASN A 116 7.389 6.610 2.611 1.00 0.00 N ATOM 571 CA ASN A 116 8.105 6.277 3.839 1.00 0.00 C ATOM 572 C ASN A 116 7.895 4.817 4.222 1.00 0.00 C ATOM 573 O ASN A 116 8.824 4.134 4.649 1.00 0.00 O ATOM 574 CB ASN A 116 7.646 7.184 4.978 1.00 0.00 C ATOM 575 CG ASN A 116 8.329 8.536 4.960 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.478 8.661 4.534 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.625 9.556 5.419 1.00 0.00 N ATOM 0 H ASN A 116 6.661 7.315 2.729 1.00 0.00 H new ATOM 0 HA ASN A 116 9.169 6.433 3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.567 7.326 4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.845 6.693 5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 116 8.030 10.492 5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.676 9.407 5.763 1.00 0.00 H new ATOM 584 N LEU A 117 6.667 4.346 4.064 1.00 0.00 N ATOM 585 CA LEU A 117 6.327 2.960 4.364 1.00 0.00 C ATOM 586 C LEU A 117 7.104 2.007 3.456 1.00 0.00 C ATOM 587 O LEU A 117 7.551 0.944 3.890 1.00 0.00 O ATOM 588 CB LEU A 117 4.821 2.743 4.191 1.00 0.00 C ATOM 589 CG LEU A 117 4.303 1.359 4.581 1.00 0.00 C ATOM 590 CD1 LEU A 117 4.492 1.118 6.071 1.00 0.00 C ATOM 591 CD2 LEU A 117 2.838 1.214 4.200 1.00 0.00 C ATOM 0 H LEU A 117 5.884 4.906 3.728 1.00 0.00 H new ATOM 0 HA LEU A 117 6.601 2.750 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.294 3.489 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.563 2.927 3.148 1.00 0.00 H new ATOM 0 HG LEU A 117 4.878 0.610 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.117 0.128 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.552 1.181 6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.943 1.872 6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.484 0.223 4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.250 1.972 4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.728 1.343 3.123 1.00 0.00 H new ATOM 603 N ASP A 118 7.280 2.420 2.205 1.00 0.00 N ATOM 604 CA ASP A 118 7.977 1.621 1.195 1.00 0.00 C ATOM 605 C ASP A 118 9.432 1.389 1.577 1.00 0.00 C ATOM 606 O ASP A 118 9.987 0.317 1.326 1.00 0.00 O ATOM 607 CB ASP A 118 7.900 2.322 -0.162 1.00 0.00 C ATOM 608 CG ASP A 118 8.748 1.657 -1.233 1.00 0.00 C ATOM 609 OD1 ASP A 118 8.218 0.803 -1.974 1.00 0.00 O ATOM 610 OD2 ASP A 118 9.949 1.997 -1.337 1.00 0.00 O ATOM 0 H ASP A 118 6.944 3.319 1.859 1.00 0.00 H new ATOM 0 HA ASP A 118 7.487 0.649 1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.862 2.344 -0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.220 3.358 -0.046 1.00 0.00 H new ATOM 615 N GLN A 119 10.034 2.386 2.222 1.00 0.00 N ATOM 616 CA GLN A 119 11.438 2.317 2.613 1.00 0.00 C ATOM 617 C GLN A 119 11.687 1.127 3.526 1.00 0.00 C ATOM 618 O GLN A 119 12.795 0.592 3.582 1.00 0.00 O ATOM 619 CB GLN A 119 11.840 3.608 3.317 1.00 0.00 C ATOM 620 CG GLN A 119 11.412 4.839 2.549 1.00 0.00 C ATOM 621 CD GLN A 119 11.872 6.131 3.182 1.00 0.00 C ATOM 622 OE1 GLN A 119 12.028 6.228 4.398 1.00 0.00 O ATOM 623 NE2 GLN A 119 12.086 7.135 2.354 1.00 0.00 N ATOM 0 H GLN A 119 9.568 3.254 2.485 1.00 0.00 H new ATOM 0 HA GLN A 119 12.043 2.191 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.395 3.630 4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.922 3.624 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 119 11.805 4.780 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.325 4.849 2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 119 11.944 7.009 1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 119 12.394 8.038 2.716 1.00 0.00 H new ATOM 632 N GLY A 120 10.639 0.729 4.240 1.00 0.00 N ATOM 633 CA GLY A 120 10.659 -0.508 4.993 1.00 0.00 C ATOM 634 C GLY A 120 11.649 -0.511 6.141 1.00 0.00 C ATOM 635 O GLY A 120 11.977 -1.568 6.676 1.00 0.00 O ATOM 0 H GLY A 120 9.765 1.251 4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.661 -0.699 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 120 10.898 -1.329 4.318 1.00 0.00 H new ATOM 639 N GLU A 121 12.102 0.667 6.535 1.00 0.00 N ATOM 640 CA GLU A 121 13.124 0.793 7.564 1.00 0.00 C ATOM 641 C GLU A 121 12.524 0.466 8.920 1.00 0.00 C ATOM 642 O GLU A 121 13.119 -0.244 9.727 1.00 0.00 O ATOM 643 CB GLU A 121 13.710 2.206 7.562 1.00 0.00 C ATOM 644 CG GLU A 121 14.123 2.676 6.179 1.00 0.00 C ATOM 645 CD GLU A 121 14.841 4.008 6.192 1.00 0.00 C ATOM 646 OE1 GLU A 121 16.004 4.063 5.738 1.00 0.00 O ATOM 647 OE2 GLU A 121 14.245 5.007 6.642 1.00 0.00 O ATOM 0 H GLU A 121 11.776 1.556 6.156 1.00 0.00 H new ATOM 0 HA GLU A 121 13.931 0.090 7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.974 2.899 7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 121 14.576 2.235 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 121 14.771 1.926 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 121 13.237 2.754 5.549 1.00 0.00 H new ATOM 654 N ASP A 122 11.330 0.977 9.152 1.00 0.00 N ATOM 655 CA ASP A 122 10.578 0.636 10.342 1.00 0.00 C ATOM 656 C ASP A 122 9.102 0.718 10.022 1.00 0.00 C ATOM 657 O ASP A 122 8.325 1.386 10.707 1.00 0.00 O ATOM 658 CB ASP A 122 10.922 1.552 11.515 1.00 0.00 C ATOM 659 CG ASP A 122 10.709 0.868 12.855 1.00 0.00 C ATOM 660 OD1 ASP A 122 9.565 0.474 13.161 1.00 0.00 O ATOM 661 OD2 ASP A 122 11.698 0.717 13.611 1.00 0.00 O ATOM 0 H ASP A 122 10.859 1.633 8.528 1.00 0.00 H new ATOM 0 HA ASP A 122 10.842 -0.377 10.644 1.00 0.00 H new ATOM 0 HB2 ASP A 122 11.961 1.872 11.433 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.307 2.451 11.465 1.00 0.00 H new ATOM 666 N LYS A 123 8.732 0.043 8.945 1.00 0.00 N ATOM 667 CA LYS A 123 7.337 -0.076 8.542 1.00 0.00 C ATOM 668 C LYS A 123 6.502 -0.675 9.670 1.00 0.00 C ATOM 669 O LYS A 123 5.288 -0.497 9.720 1.00 0.00 O ATOM 670 CB LYS A 123 7.214 -0.923 7.261 1.00 0.00 C ATOM 671 CG LYS A 123 8.321 -1.959 7.073 1.00 0.00 C ATOM 672 CD LYS A 123 8.421 -2.906 8.246 1.00 0.00 C ATOM 673 CE LYS A 123 9.528 -3.925 8.065 1.00 0.00 C ATOM 674 NZ LYS A 123 9.224 -4.906 6.988 1.00 0.00 N ATOM 0 H LYS A 123 9.386 -0.437 8.327 1.00 0.00 H new ATOM 0 HA LYS A 123 6.954 0.922 8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.252 -1.436 7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.209 -0.256 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.132 -2.529 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 123 9.275 -1.449 6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 123 8.600 -2.335 9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.470 -3.424 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 123 10.459 -3.409 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.686 -4.457 9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.960 -5.641 6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.300 -5.346 7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.200 -4.417 6.070 1.00 0.00 H new ATOM 688 N ALA A 124 7.182 -1.357 10.587 1.00 0.00 N ATOM 689 CA ALA A 124 6.542 -1.986 11.727 1.00 0.00 C ATOM 690 C ALA A 124 5.756 -0.969 12.552 1.00 0.00 C ATOM 691 O ALA A 124 4.565 -1.155 12.808 1.00 0.00 O ATOM 692 CB ALA A 124 7.581 -2.682 12.588 1.00 0.00 C ATOM 0 H ALA A 124 8.193 -1.486 10.556 1.00 0.00 H new ATOM 0 HA ALA A 124 5.835 -2.728 11.355 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.091 -3.151 13.441 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.091 -3.444 11.998 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.308 -1.951 12.943 1.00 0.00 H new ATOM 698 N LYS A 125 6.417 0.111 12.965 1.00 0.00 N ATOM 699 CA LYS A 125 5.746 1.149 13.740 1.00 0.00 C ATOM 700 C LYS A 125 4.937 2.060 12.826 1.00 0.00 C ATOM 701 O LYS A 125 3.923 2.624 13.237 1.00 0.00 O ATOM 702 CB LYS A 125 6.750 1.979 14.551 1.00 0.00 C ATOM 703 CG LYS A 125 7.684 2.827 13.702 1.00 0.00 C ATOM 704 CD LYS A 125 8.625 3.653 14.563 1.00 0.00 C ATOM 705 CE LYS A 125 9.622 4.420 13.712 1.00 0.00 C ATOM 706 NZ LYS A 125 10.574 5.206 14.538 1.00 0.00 N ATOM 0 H LYS A 125 7.404 0.288 12.778 1.00 0.00 H new ATOM 0 HA LYS A 125 5.071 0.654 14.438 1.00 0.00 H new ATOM 0 HB2 LYS A 125 6.201 2.631 15.230 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.347 1.307 15.167 1.00 0.00 H new ATOM 0 HG2 LYS A 125 8.265 2.182 13.043 1.00 0.00 H new ATOM 0 HG3 LYS A 125 7.098 3.489 13.065 1.00 0.00 H new ATOM 0 HD2 LYS A 125 8.048 4.351 15.169 1.00 0.00 H new ATOM 0 HD3 LYS A 125 9.159 2.999 15.252 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.177 3.721 13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 125 9.085 5.091 13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.236 5.713 13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 10.048 5.891 15.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.106 4.564 15.160 1.00 0.00 H new ATOM 720 N LEU A 126 5.381 2.190 11.578 1.00 0.00 N ATOM 721 CA LEU A 126 4.694 3.040 10.614 1.00 0.00 C ATOM 722 C LEU A 126 3.289 2.515 10.342 1.00 0.00 C ATOM 723 O LEU A 126 2.347 3.289 10.258 1.00 0.00 O ATOM 724 CB LEU A 126 5.487 3.149 9.308 1.00 0.00 C ATOM 725 CG LEU A 126 6.848 3.843 9.419 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.578 3.788 8.087 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.702 5.286 9.875 1.00 0.00 C ATOM 0 H LEU A 126 6.209 1.719 11.214 1.00 0.00 H new ATOM 0 HA LEU A 126 4.615 4.038 11.045 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.642 2.145 8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.882 3.689 8.580 1.00 0.00 H new ATOM 0 HG LEU A 126 7.432 3.311 10.170 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.544 4.285 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.731 2.748 7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.983 4.292 7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.687 5.748 9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.093 5.835 9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.221 5.312 10.853 1.00 0.00 H new ATOM 739 N MET A 127 3.142 1.197 10.237 1.00 0.00 N ATOM 740 CA MET A 127 1.823 0.587 10.037 1.00 0.00 C ATOM 741 C MET A 127 0.835 1.067 11.099 1.00 0.00 C ATOM 742 O MET A 127 -0.348 1.242 10.826 1.00 0.00 O ATOM 743 CB MET A 127 1.915 -0.940 10.087 1.00 0.00 C ATOM 744 CG MET A 127 2.582 -1.575 8.873 1.00 0.00 C ATOM 745 SD MET A 127 1.406 -2.261 7.683 1.00 0.00 S ATOM 746 CE MET A 127 0.621 -0.783 7.043 1.00 0.00 C ATOM 0 H MET A 127 3.913 0.531 10.286 1.00 0.00 H new ATOM 0 HA MET A 127 1.467 0.892 9.053 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.467 -1.229 10.981 1.00 0.00 H new ATOM 0 HB3 MET A 127 0.909 -1.348 10.188 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.198 -0.827 8.374 1.00 0.00 H new ATOM 0 HG3 MET A 127 3.252 -2.367 9.209 1.00 0.00 H new ATOM 0 HE1 MET A 127 0.049 -1.033 6.149 1.00 0.00 H new ATOM 0 HE2 MET A 127 -0.048 -0.370 7.798 1.00 0.00 H new ATOM 0 HE3 MET A 127 1.384 -0.046 6.792 1.00 0.00 H new ATOM 756 N ARG A 128 1.339 1.294 12.304 1.00 0.00 N ATOM 757 CA ARG A 128 0.512 1.769 13.407 1.00 0.00 C ATOM 758 C ARG A 128 0.277 3.271 13.299 1.00 0.00 C ATOM 759 O ARG A 128 -0.856 3.742 13.384 1.00 0.00 O ATOM 760 CB ARG A 128 1.185 1.448 14.742 1.00 0.00 C ATOM 761 CG ARG A 128 1.297 -0.040 15.026 1.00 0.00 C ATOM 762 CD ARG A 128 -0.053 -0.643 15.372 1.00 0.00 C ATOM 763 NE ARG A 128 -0.573 -0.127 16.638 1.00 0.00 N ATOM 764 CZ ARG A 128 -1.252 -0.856 17.523 1.00 0.00 C ATOM 765 NH1 ARG A 128 -1.515 -2.134 17.281 1.00 0.00 N ATOM 766 NH2 ARG A 128 -1.675 -0.300 18.650 1.00 0.00 N ATOM 0 H ARG A 128 2.321 1.156 12.544 1.00 0.00 H new ATOM 0 HA ARG A 128 -0.451 1.261 13.355 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.183 1.887 14.751 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.621 1.921 15.546 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.711 -0.548 14.155 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.992 -0.203 15.850 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.762 -0.427 14.573 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.039 -1.727 15.432 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.405 0.855 16.858 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -1.197 -2.565 16.413 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.035 -2.686 17.963 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -1.480 0.683 18.838 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -2.195 -0.856 19.329 1.00 0.00 H new ATOM 780 N ALA A 129 1.358 4.013 13.089 1.00 0.00 N ATOM 781 CA ALA A 129 1.304 5.471 13.053 1.00 0.00 C ATOM 782 C ALA A 129 0.546 5.990 11.835 1.00 0.00 C ATOM 783 O ALA A 129 0.100 7.134 11.816 1.00 0.00 O ATOM 784 CB ALA A 129 2.710 6.048 13.078 1.00 0.00 C ATOM 0 H ALA A 129 2.290 3.626 12.940 1.00 0.00 H new ATOM 0 HA ALA A 129 0.760 5.798 13.939 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.657 7.136 13.051 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.217 5.732 13.990 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.266 5.690 12.211 1.00 0.00 H new ATOM 790 N TYR A 130 0.413 5.164 10.815 1.00 0.00 N ATOM 791 CA TYR A 130 -0.288 5.570 9.604 1.00 0.00 C ATOM 792 C TYR A 130 -1.785 5.355 9.748 1.00 0.00 C ATOM 793 O TYR A 130 -2.589 6.153 9.274 1.00 0.00 O ATOM 794 CB TYR A 130 0.226 4.792 8.396 1.00 0.00 C ATOM 795 CG TYR A 130 1.612 5.187 7.942 1.00 0.00 C ATOM 796 CD1 TYR A 130 2.531 5.749 8.818 1.00 0.00 C ATOM 797 CD2 TYR A 130 2.004 4.980 6.633 1.00 0.00 C ATOM 798 CE1 TYR A 130 3.794 6.092 8.401 1.00 0.00 C ATOM 799 CE2 TYR A 130 3.264 5.324 6.210 1.00 0.00 C ATOM 800 CZ TYR A 130 4.154 5.880 7.095 1.00 0.00 C ATOM 801 OH TYR A 130 5.411 6.217 6.672 1.00 0.00 O ATOM 0 H TYR A 130 0.778 4.212 10.797 1.00 0.00 H new ATOM 0 HA TYR A 130 -0.097 6.632 9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.225 3.729 8.637 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.468 4.932 7.567 1.00 0.00 H new ATOM 0 HD1 TYR A 130 2.248 5.920 9.846 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.309 4.541 5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 130 4.498 6.525 9.096 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.554 5.158 5.183 1.00 0.00 H new ATOM 0 HH TYR A 130 5.740 6.977 7.197 1.00 0.00 H new ATOM 811 N MET A 131 -2.152 4.283 10.429 1.00 0.00 N ATOM 812 CA MET A 131 -3.552 3.916 10.579 1.00 0.00 C ATOM 813 C MET A 131 -4.220 4.732 11.683 1.00 0.00 C ATOM 814 O MET A 131 -5.378 4.491 12.032 1.00 0.00 O ATOM 815 CB MET A 131 -3.675 2.418 10.867 1.00 0.00 C ATOM 816 CG MET A 131 -3.154 1.534 9.741 1.00 0.00 C ATOM 817 SD MET A 131 -4.460 0.811 8.722 1.00 0.00 S ATOM 818 CE MET A 131 -5.236 2.267 8.026 1.00 0.00 C ATOM 0 H MET A 131 -1.498 3.649 10.889 1.00 0.00 H new ATOM 0 HA MET A 131 -4.066 4.138 9.644 1.00 0.00 H new ATOM 0 HB2 MET A 131 -3.129 2.187 11.781 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.722 2.177 11.052 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.493 2.123 9.105 1.00 0.00 H new ATOM 0 HG3 MET A 131 -2.553 0.732 10.169 1.00 0.00 H new ATOM 0 HE1 MET A 131 -5.739 2.002 7.096 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.965 2.663 8.732 1.00 0.00 H new ATOM 0 HE3 MET A 131 -4.477 3.023 7.826 1.00 0.00 H new ATOM 828 N GLN A 132 -3.492 5.700 12.231 1.00 0.00 N ATOM 829 CA GLN A 132 -4.044 6.559 13.268 1.00 0.00 C ATOM 830 C GLN A 132 -4.474 7.894 12.670 1.00 0.00 C ATOM 831 O GLN A 132 -5.344 8.578 13.210 1.00 0.00 O ATOM 832 CB GLN A 132 -3.033 6.778 14.397 1.00 0.00 C ATOM 833 CG GLN A 132 -1.845 7.629 13.998 1.00 0.00 C ATOM 834 CD GLN A 132 -0.847 7.805 15.119 1.00 0.00 C ATOM 835 OE1 GLN A 132 -0.684 6.932 15.970 1.00 0.00 O ATOM 836 NE2 GLN A 132 -0.176 8.939 15.127 1.00 0.00 N ATOM 0 H GLN A 132 -2.526 5.907 11.976 1.00 0.00 H new ATOM 0 HA GLN A 132 -4.918 6.065 13.692 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -3.539 7.250 15.239 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.674 5.809 14.743 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.347 7.171 13.143 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.198 8.608 13.675 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -0.343 9.636 14.401 1.00 0.00 H new ATOM 0 HE22 GLN A 132 0.511 9.120 15.859 1.00 0.00 H new ATOM 845 N GLU A 133 -3.870 8.257 11.542 1.00 0.00 N ATOM 846 CA GLU A 133 -4.210 9.495 10.864 1.00 0.00 C ATOM 847 C GLU A 133 -5.099 9.226 9.655 1.00 0.00 C ATOM 848 O GLU A 133 -4.849 8.307 8.871 1.00 0.00 O ATOM 849 CB GLU A 133 -2.952 10.273 10.464 1.00 0.00 C ATOM 850 CG GLU A 133 -1.718 9.413 10.251 1.00 0.00 C ATOM 851 CD GLU A 133 -0.533 10.236 9.793 1.00 0.00 C ATOM 852 OE1 GLU A 133 0.223 10.731 10.655 1.00 0.00 O ATOM 853 OE2 GLU A 133 -0.355 10.414 8.577 1.00 0.00 O ATOM 0 H GLU A 133 -3.143 7.709 11.082 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.772 10.115 11.562 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -3.158 10.824 9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.736 11.011 11.237 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.467 8.900 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -1.934 8.643 9.510 1.00 0.00 H new ATOM 860 N PRO A 134 -6.147 10.049 9.493 1.00 0.00 N ATOM 861 CA PRO A 134 -7.213 9.821 8.509 1.00 0.00 C ATOM 862 C PRO A 134 -6.739 9.868 7.057 1.00 0.00 C ATOM 863 O PRO A 134 -7.453 9.433 6.158 1.00 0.00 O ATOM 864 CB PRO A 134 -8.206 10.955 8.777 1.00 0.00 C ATOM 865 CG PRO A 134 -7.412 12.007 9.464 1.00 0.00 C ATOM 866 CD PRO A 134 -6.381 11.278 10.273 1.00 0.00 C ATOM 0 HA PRO A 134 -7.631 8.821 8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.638 11.329 7.849 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -9.034 10.616 9.399 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.942 12.676 8.743 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -8.047 12.622 10.102 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -5.469 11.864 10.384 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -6.741 11.055 11.277 1.00 0.00 H new ATOM 874 N LEU A 135 -5.543 10.381 6.824 1.00 0.00 N ATOM 875 CA LEU A 135 -5.032 10.490 5.467 1.00 0.00 C ATOM 876 C LEU A 135 -4.719 9.115 4.891 1.00 0.00 C ATOM 877 O LEU A 135 -4.991 8.844 3.721 1.00 0.00 O ATOM 878 CB LEU A 135 -3.779 11.373 5.408 1.00 0.00 C ATOM 879 CG LEU A 135 -3.980 12.814 5.874 1.00 0.00 C ATOM 880 CD1 LEU A 135 -3.537 12.980 7.321 1.00 0.00 C ATOM 881 CD2 LEU A 135 -3.245 13.781 4.959 1.00 0.00 C ATOM 0 H LEU A 135 -4.913 10.726 7.548 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.812 10.957 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -3.001 10.915 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -3.411 11.387 4.382 1.00 0.00 H new ATOM 0 HG LEU A 135 -5.044 13.047 5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.689 14.014 7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -4.124 12.319 7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -2.481 12.726 7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.401 14.802 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -2.179 13.553 4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -3.627 13.683 3.943 1.00 0.00 H new ATOM 893 N PHE A 136 -4.169 8.239 5.724 1.00 0.00 N ATOM 894 CA PHE A 136 -3.704 6.944 5.254 1.00 0.00 C ATOM 895 C PHE A 136 -4.805 5.911 5.399 1.00 0.00 C ATOM 896 O PHE A 136 -4.896 4.967 4.618 1.00 0.00 O ATOM 897 CB PHE A 136 -2.453 6.506 6.017 1.00 0.00 C ATOM 898 CG PHE A 136 -1.796 5.271 5.459 1.00 0.00 C ATOM 899 CD1 PHE A 136 -0.922 5.359 4.382 1.00 0.00 C ATOM 900 CD2 PHE A 136 -2.044 4.026 6.013 1.00 0.00 C ATOM 901 CE1 PHE A 136 -0.307 4.225 3.876 1.00 0.00 C ATOM 902 CE2 PHE A 136 -1.435 2.893 5.508 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.565 2.995 4.441 1.00 0.00 C ATOM 0 H PHE A 136 -4.036 8.402 6.722 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.442 7.032 4.200 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -1.732 7.323 6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -2.720 6.324 7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -0.720 6.321 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.721 3.940 6.850 1.00 0.00 H new ATOM 0 HE1 PHE A 136 0.373 4.305 3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -1.640 1.928 5.948 1.00 0.00 H new ATOM 0 HZ PHE A 136 -0.086 2.110 4.049 1.00 0.00 H new ATOM 913 N VAL A 137 -5.644 6.106 6.407 1.00 0.00 N ATOM 914 CA VAL A 137 -6.723 5.176 6.692 1.00 0.00 C ATOM 915 C VAL A 137 -7.662 5.037 5.500 1.00 0.00 C ATOM 916 O VAL A 137 -7.958 3.933 5.056 1.00 0.00 O ATOM 917 CB VAL A 137 -7.533 5.604 7.931 1.00 0.00 C ATOM 918 CG1 VAL A 137 -6.673 5.616 9.180 1.00 0.00 C ATOM 919 CG2 VAL A 137 -8.189 6.940 7.728 1.00 0.00 C ATOM 0 H VAL A 137 -5.596 6.903 7.042 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.257 4.212 6.895 1.00 0.00 H new ATOM 0 HB VAL A 137 -8.319 4.862 8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -7.277 5.922 10.034 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -6.274 4.617 9.357 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -5.849 6.317 9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -8.751 7.209 8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.426 7.695 7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.867 6.887 6.876 1.00 0.00 H new ATOM 929 N GLU A 138 -8.114 6.166 4.985 1.00 0.00 N ATOM 930 CA GLU A 138 -9.020 6.172 3.846 1.00 0.00 C ATOM 931 C GLU A 138 -8.290 5.781 2.571 1.00 0.00 C ATOM 932 O GLU A 138 -8.891 5.217 1.665 1.00 0.00 O ATOM 933 CB GLU A 138 -9.719 7.527 3.691 1.00 0.00 C ATOM 934 CG GLU A 138 -8.779 8.706 3.538 1.00 0.00 C ATOM 935 CD GLU A 138 -9.526 10.018 3.445 1.00 0.00 C ATOM 936 OE1 GLU A 138 -9.581 10.600 2.342 1.00 0.00 O ATOM 937 OE2 GLU A 138 -10.071 10.473 4.472 1.00 0.00 O ATOM 0 H GLU A 138 -7.870 7.092 5.336 1.00 0.00 H new ATOM 0 HA GLU A 138 -9.793 5.427 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -10.374 7.486 2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -10.354 7.695 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -8.096 8.737 4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -8.171 8.571 2.644 1.00 0.00 H new ATOM 944 N PHE A 139 -6.992 6.063 2.507 1.00 0.00 N ATOM 945 CA PHE A 139 -6.165 5.580 1.409 1.00 0.00 C ATOM 946 C PHE A 139 -6.209 4.061 1.385 1.00 0.00 C ATOM 947 O PHE A 139 -6.465 3.443 0.349 1.00 0.00 O ATOM 948 CB PHE A 139 -4.724 6.069 1.582 1.00 0.00 C ATOM 949 CG PHE A 139 -3.703 5.330 0.751 1.00 0.00 C ATOM 950 CD1 PHE A 139 -2.662 4.647 1.361 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.783 5.318 -0.632 1.00 0.00 C ATOM 952 CE1 PHE A 139 -1.720 3.968 0.606 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.844 4.638 -1.389 1.00 0.00 C ATOM 954 CZ PHE A 139 -1.813 3.964 -0.769 1.00 0.00 C ATOM 0 H PHE A 139 -6.493 6.621 3.200 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.547 5.967 0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.681 7.128 1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.449 5.982 2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -2.585 4.644 2.438 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -4.587 5.845 -1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -0.913 3.442 1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.919 4.635 -2.466 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.080 3.434 -1.360 1.00 0.00 H new ATOM 964 N ALA A 140 -5.989 3.478 2.553 1.00 0.00 N ATOM 965 CA ALA A 140 -6.046 2.043 2.721 1.00 0.00 C ATOM 966 C ALA A 140 -7.441 1.526 2.420 1.00 0.00 C ATOM 967 O ALA A 140 -7.605 0.557 1.682 1.00 0.00 O ATOM 968 CB ALA A 140 -5.629 1.666 4.135 1.00 0.00 C ATOM 0 H ALA A 140 -5.767 3.989 3.407 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.353 1.581 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.675 0.583 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.610 2.007 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.303 2.137 4.851 1.00 0.00 H new ATOM 974 N ASP A 141 -8.443 2.208 2.955 1.00 0.00 N ATOM 975 CA ASP A 141 -9.829 1.781 2.797 1.00 0.00 C ATOM 976 C ASP A 141 -10.230 1.804 1.330 1.00 0.00 C ATOM 977 O ASP A 141 -11.022 0.977 0.872 1.00 0.00 O ATOM 978 CB ASP A 141 -10.758 2.681 3.610 1.00 0.00 C ATOM 979 CG ASP A 141 -12.214 2.292 3.464 1.00 0.00 C ATOM 980 OD1 ASP A 141 -12.649 1.331 4.136 1.00 0.00 O ATOM 981 OD2 ASP A 141 -12.932 2.955 2.686 1.00 0.00 O ATOM 0 H ASP A 141 -8.324 3.060 3.503 1.00 0.00 H new ATOM 0 HA ASP A 141 -9.918 0.759 3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.476 2.634 4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -10.628 3.715 3.291 1.00 0.00 H new ATOM 986 N CYS A 142 -9.656 2.743 0.594 1.00 0.00 N ATOM 987 CA CYS A 142 -9.933 2.880 -0.823 1.00 0.00 C ATOM 988 C CYS A 142 -9.321 1.733 -1.611 1.00 0.00 C ATOM 989 O CYS A 142 -10.011 1.066 -2.379 1.00 0.00 O ATOM 990 CB CYS A 142 -9.397 4.214 -1.335 1.00 0.00 C ATOM 991 SG CYS A 142 -10.339 5.648 -0.775 1.00 0.00 S ATOM 0 H CYS A 142 -8.991 3.425 0.960 1.00 0.00 H new ATOM 0 HA CYS A 142 -11.013 2.851 -0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -8.361 4.325 -1.014 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -9.393 4.198 -2.425 1.00 0.00 H new ATOM 0 HG CYS A 142 -10.085 5.871 0.480 1.00 0.00 H new ATOM 997 N CYS A 143 -8.031 1.481 -1.398 1.00 0.00 N ATOM 998 CA CYS A 143 -7.327 0.466 -2.165 1.00 0.00 C ATOM 999 C CYS A 143 -7.882 -0.922 -1.871 1.00 0.00 C ATOM 1000 O CYS A 143 -7.837 -1.806 -2.725 1.00 0.00 O ATOM 1001 CB CYS A 143 -5.820 0.521 -1.892 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.365 0.302 -0.162 1.00 0.00 S ATOM 0 H CYS A 143 -7.459 1.964 -0.705 1.00 0.00 H new ATOM 0 HA CYS A 143 -7.486 0.675 -3.223 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.328 -0.250 -2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -5.436 1.481 -2.237 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.439 0.137 0.552 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.434 -1.101 -0.670 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.052 -2.367 -0.300 1.00 0.00 C ATOM 1010 C LEU A 144 -10.203 -2.685 -1.241 1.00 0.00 C ATOM 1011 O LEU A 144 -10.220 -3.730 -1.878 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.568 -2.330 1.140 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.512 -2.076 2.213 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -9.137 -2.118 3.594 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.376 -3.080 2.102 1.00 0.00 C ATOM 0 H LEU A 144 -8.464 -0.387 0.057 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.291 -3.144 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.330 -1.554 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -10.058 -3.279 1.356 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.097 -1.081 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.370 -1.935 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.908 -1.351 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.583 -3.098 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.636 -2.879 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.769 -4.089 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -6.908 -2.993 1.122 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.136 -1.750 -1.360 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.321 -1.972 -2.174 1.00 0.00 C ATOM 1029 C GLY A 145 -12.001 -2.134 -3.647 1.00 0.00 C ATOM 1030 O GLY A 145 -12.843 -2.574 -4.431 1.00 0.00 O ATOM 0 H GLY A 145 -11.095 -0.837 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.838 -2.864 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -13.006 -1.134 -2.046 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.786 -1.768 -4.023 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.346 -1.868 -5.402 1.00 0.00 C ATOM 1036 C ILE A 146 -9.688 -3.224 -5.675 1.00 0.00 C ATOM 1037 O ILE A 146 -9.766 -3.751 -6.786 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.354 -0.735 -5.734 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -9.991 0.624 -5.429 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -8.926 -0.804 -7.192 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -9.011 1.775 -5.453 1.00 0.00 C ATOM 0 H ILE A 146 -10.083 -1.396 -3.385 1.00 0.00 H new ATOM 0 HA ILE A 146 -11.226 -1.775 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.466 -0.857 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -10.781 0.816 -6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -10.464 0.582 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.226 0.004 -7.404 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.443 -1.762 -7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -9.802 -0.704 -7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -9.535 2.704 -5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -8.234 1.607 -4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -8.556 1.845 -6.441 1.00 0.00 H new ATOM 1053 N VAL A 147 -9.058 -3.802 -4.658 1.00 0.00 N ATOM 1054 CA VAL A 147 -8.332 -5.051 -4.843 1.00 0.00 C ATOM 1055 C VAL A 147 -9.111 -6.237 -4.293 1.00 0.00 C ATOM 1056 O VAL A 147 -8.822 -7.385 -4.629 1.00 0.00 O ATOM 1057 CB VAL A 147 -6.939 -5.020 -4.183 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -6.138 -3.823 -4.666 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -7.058 -5.022 -2.668 1.00 0.00 C ATOM 0 H VAL A 147 -9.035 -3.430 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 147 -8.207 -5.167 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 147 -6.404 -5.922 -4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -5.159 -3.823 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -6.012 -3.882 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.667 -2.905 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -6.062 -5.000 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -7.618 -4.144 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -7.579 -5.923 -2.345 1.00 0.00 H new ATOM 1069 N GLU A 148 -10.080 -5.960 -3.433 1.00 0.00 N ATOM 1070 CA GLU A 148 -10.925 -7.004 -2.886 1.00 0.00 C ATOM 1071 C GLU A 148 -11.832 -7.568 -3.966 1.00 0.00 C ATOM 1072 O GLU A 148 -12.613 -6.839 -4.578 1.00 0.00 O ATOM 1073 CB GLU A 148 -11.765 -6.478 -1.720 1.00 0.00 C ATOM 1074 CG GLU A 148 -10.971 -6.275 -0.440 1.00 0.00 C ATOM 1075 CD GLU A 148 -10.341 -7.558 0.056 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -9.108 -7.699 -0.043 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -11.081 -8.441 0.541 1.00 0.00 O ATOM 0 H GLU A 148 -10.298 -5.021 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 148 -10.279 -7.798 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -12.220 -5.531 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -12.579 -7.176 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -10.191 -5.533 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -11.627 -5.873 0.332 1.00 0.00 H new ATOM 1197 N ILE B 463 -7.399 -6.990 9.479 1.00 0.00 N ATOM 1198 CA ILE B 463 -6.357 -5.971 9.465 1.00 0.00 C ATOM 1199 C ILE B 463 -5.021 -6.539 8.996 1.00 0.00 C ATOM 1200 O ILE B 463 -4.254 -5.855 8.318 1.00 0.00 O ATOM 1201 CB ILE B 463 -6.179 -5.338 10.860 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -7.529 -4.880 11.415 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -5.217 -4.163 10.786 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -7.445 -4.303 12.810 1.00 0.00 C ATOM 0 HA ILE B 463 -6.678 -5.204 8.761 1.00 0.00 H new ATOM 0 HB ILE B 463 -5.764 -6.090 11.531 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -7.952 -4.131 10.746 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -8.216 -5.726 11.422 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -5.100 -3.725 11.777 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -4.248 -4.508 10.425 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -5.612 -3.412 10.102 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -8.439 -4.000 13.139 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -7.051 -5.056 13.492 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -6.784 -3.436 12.806 1.00 0.00 H new ATOM 1216 N ARG B 464 -4.749 -7.794 9.343 1.00 0.00 N ATOM 1217 CA ARG B 464 -3.515 -8.448 8.913 1.00 0.00 C ATOM 1218 C ARG B 464 -3.514 -8.604 7.398 1.00 0.00 C ATOM 1219 O ARG B 464 -2.481 -8.467 6.741 1.00 0.00 O ATOM 1220 CB ARG B 464 -3.351 -9.815 9.582 1.00 0.00 C ATOM 1221 CG ARG B 464 -3.161 -9.744 11.089 1.00 0.00 C ATOM 1222 CD ARG B 464 -1.912 -8.963 11.461 1.00 0.00 C ATOM 1223 NE ARG B 464 -0.706 -9.537 10.867 1.00 0.00 N ATOM 1224 CZ ARG B 464 0.491 -8.951 10.893 1.00 0.00 C ATOM 1225 NH1 ARG B 464 0.653 -7.783 11.503 1.00 0.00 N ATOM 1226 NH2 ARG B 464 1.527 -9.542 10.315 1.00 0.00 N ATOM 0 H ARG B 464 -5.361 -8.375 9.916 1.00 0.00 H new ATOM 0 HA ARG B 464 -2.674 -7.823 9.214 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -4.229 -10.423 9.365 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -2.494 -10.324 9.141 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -4.033 -9.274 11.544 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -3.094 -10.753 11.495 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -2.020 -7.929 11.133 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -1.807 -8.943 12.546 1.00 0.00 H new ATOM 0 HE ARG B 464 -0.785 -10.442 10.404 1.00 0.00 H new ATOM 0 HH11 ARG B 464 -0.141 -7.329 11.955 1.00 0.00 H new ATOM 0 HH12 ARG B 464 1.571 -7.339 11.520 1.00 0.00 H new ATOM 0 HH21 ARG B 464 1.407 -10.443 9.852 1.00 0.00 H new ATOM 0 HH22 ARG B 464 2.444 -9.096 10.333 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.687 -8.885 6.854 1.00 0.00 N ATOM 1241 CA HIS B 465 -4.873 -8.921 5.417 1.00 0.00 C ATOM 1242 C HIS B 465 -4.742 -7.518 4.839 1.00 0.00 C ATOM 1243 O HIS B 465 -3.919 -7.273 3.960 1.00 0.00 O ATOM 1244 CB HIS B 465 -6.248 -9.514 5.064 1.00 0.00 C ATOM 1245 CG HIS B 465 -6.649 -9.279 3.638 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -6.120 -9.984 2.586 1.00 0.00 N ATOM 1247 CD2 HIS B 465 -7.481 -8.362 3.092 1.00 0.00 C ATOM 1248 CE1 HIS B 465 -6.596 -9.506 1.453 1.00 0.00 C ATOM 1249 NE2 HIS B 465 -7.431 -8.525 1.731 1.00 0.00 N ATOM 0 H HIS B 465 -5.528 -9.092 7.392 1.00 0.00 H new ATOM 0 HA HIS B 465 -4.102 -9.557 4.983 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -6.234 -10.587 5.258 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -7.002 -9.081 5.722 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -8.074 -7.636 3.628 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -6.344 -9.859 0.464 1.00 0.00 H new ATOM 0 HE2 HIS B 465 -7.954 -7.978 1.047 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.550 -6.608 5.362 1.00 0.00 N ATOM 1259 CA GLU B 466 -5.666 -5.259 4.823 1.00 0.00 C ATOM 1260 C GLU B 466 -4.324 -4.534 4.770 1.00 0.00 C ATOM 1261 O GLU B 466 -3.938 -4.027 3.723 1.00 0.00 O ATOM 1262 CB GLU B 466 -6.663 -4.454 5.653 1.00 0.00 C ATOM 1263 CG GLU B 466 -8.079 -5.005 5.586 1.00 0.00 C ATOM 1264 CD GLU B 466 -8.993 -4.439 6.656 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -9.089 -3.201 6.775 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -9.644 -5.238 7.370 1.00 0.00 O ATOM 0 H GLU B 466 -6.144 -6.783 6.172 1.00 0.00 H new ATOM 0 HA GLU B 466 -6.023 -5.348 3.797 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -6.334 -4.440 6.692 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -6.665 -3.421 5.306 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -8.501 -4.787 4.605 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -8.044 -6.090 5.684 1.00 0.00 H new ATOM 1273 N ARG B 467 -3.602 -4.510 5.883 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.365 -3.735 5.965 1.00 0.00 C ATOM 1275 C ARG B 467 -1.264 -4.303 5.071 1.00 0.00 C ATOM 1276 O ARG B 467 -0.383 -3.569 4.626 1.00 0.00 O ATOM 1277 CB ARG B 467 -1.885 -3.626 7.409 1.00 0.00 C ATOM 1278 CG ARG B 467 -2.803 -2.775 8.268 1.00 0.00 C ATOM 1279 CD ARG B 467 -2.202 -2.502 9.634 1.00 0.00 C ATOM 1280 NE ARG B 467 -3.116 -1.738 10.482 1.00 0.00 N ATOM 1281 CZ ARG B 467 -2.932 -1.541 11.782 1.00 0.00 C ATOM 1282 NH1 ARG B 467 -1.845 -2.007 12.380 1.00 0.00 N ATOM 1283 NH2 ARG B 467 -3.839 -0.875 12.484 1.00 0.00 N ATOM 0 H ARG B 467 -3.846 -5.013 6.736 1.00 0.00 H new ATOM 0 HA ARG B 467 -2.593 -2.735 5.597 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -1.813 -4.625 7.840 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -0.882 -3.200 7.423 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -3.001 -1.830 7.762 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -3.762 -3.280 8.387 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -1.958 -3.447 10.120 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -1.268 -1.953 9.518 1.00 0.00 H new ATOM 0 HE ARG B 467 -3.945 -1.332 10.049 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -1.146 -2.519 11.841 1.00 0.00 H new ATOM 0 HH12 ARG B 467 -1.707 -1.854 13.379 1.00 0.00 H new ATOM 0 HH21 ARG B 467 -4.676 -0.515 12.025 1.00 0.00 H new ATOM 0 HH22 ARG B 467 -3.700 -0.723 13.483 1.00 0.00 H new ATOM 1297 N ASN B 468 -1.326 -5.597 4.783 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.346 -6.214 3.895 1.00 0.00 C ATOM 1299 C ASN B 468 -0.740 -5.919 2.455 1.00 0.00 C ATOM 1300 O ASN B 468 0.103 -5.800 1.562 1.00 0.00 O ATOM 1301 CB ASN B 468 -0.256 -7.727 4.145 1.00 0.00 C ATOM 1302 CG ASN B 468 -0.666 -8.561 2.943 1.00 0.00 C ATOM 1303 OD1 ASN B 468 0.160 -8.914 2.104 1.00 0.00 O ATOM 1304 ND2 ASN B 468 -1.945 -8.872 2.850 1.00 0.00 N ATOM 0 H ASN B 468 -2.035 -6.234 5.146 1.00 0.00 H new ATOM 0 HA ASN B 468 0.641 -5.797 4.093 1.00 0.00 H new ATOM 0 HB2 ASN B 468 0.767 -7.982 4.423 1.00 0.00 H new ATOM 0 HB3 ASN B 468 -0.891 -7.987 4.992 1.00 0.00 H new ATOM 0 HD21 ASN B 468 -2.279 -9.425 2.061 1.00 0.00 H new ATOM 0 HD22 ASN B 468 -2.599 -8.560 3.568 1.00 0.00 H new ATOM 1311 N VAL B 469 -2.042 -5.782 2.255 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.593 -5.378 0.979 1.00 0.00 C ATOM 1313 C VAL B 469 -2.076 -3.996 0.605 1.00 0.00 C ATOM 1314 O VAL B 469 -1.752 -3.735 -0.556 1.00 0.00 O ATOM 1315 CB VAL B 469 -4.135 -5.379 1.032 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -4.732 -4.522 -0.065 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -4.662 -6.797 0.940 1.00 0.00 C ATOM 0 H VAL B 469 -2.744 -5.949 2.976 1.00 0.00 H new ATOM 0 HA VAL B 469 -2.276 -6.091 0.218 1.00 0.00 H new ATOM 0 HB VAL B 469 -4.435 -4.949 1.987 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -5.819 -4.547 0.005 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -4.385 -3.495 0.046 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -4.422 -4.906 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -5.751 -6.784 0.979 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -4.338 -7.246 0.001 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -4.277 -7.383 1.774 1.00 0.00 H new ATOM 1327 N ILE B 470 -1.966 -3.131 1.606 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.490 -1.775 1.394 1.00 0.00 C ATOM 1329 C ILE B 470 -0.054 -1.792 0.893 1.00 0.00 C ATOM 1330 O ILE B 470 0.315 -1.006 0.028 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.559 -0.925 2.678 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -2.861 -1.185 3.442 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.441 0.550 2.328 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.111 -0.966 2.622 1.00 0.00 C ATOM 0 H ILE B 470 -2.201 -3.348 2.574 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.146 -1.324 0.649 1.00 0.00 H new ATOM 0 HB ILE B 470 -0.728 -1.209 3.323 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -2.855 -2.211 3.809 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -2.894 -0.534 4.315 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.490 1.145 3.240 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.489 0.730 1.828 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.259 0.833 1.665 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -4.989 -1.171 3.235 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.143 0.067 2.276 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.104 -1.636 1.762 1.00 0.00 H new ATOM 1346 N LEU B 471 0.744 -2.709 1.433 1.00 0.00 N ATOM 1347 CA LEU B 471 2.133 -2.863 1.011 1.00 0.00 C ATOM 1348 C LEU B 471 2.197 -3.168 -0.483 1.00 0.00 C ATOM 1349 O LEU B 471 2.971 -2.564 -1.220 1.00 0.00 O ATOM 1350 CB LEU B 471 2.815 -3.984 1.804 1.00 0.00 C ATOM 1351 CG LEU B 471 2.785 -3.823 3.328 1.00 0.00 C ATOM 1352 CD1 LEU B 471 3.436 -5.022 3.999 1.00 0.00 C ATOM 1353 CD2 LEU B 471 3.481 -2.537 3.747 1.00 0.00 C ATOM 0 H LEU B 471 0.452 -3.357 2.164 1.00 0.00 H new ATOM 0 HA LEU B 471 2.659 -1.929 1.206 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.339 -4.930 1.546 1.00 0.00 H new ATOM 0 HB3 LEU B 471 3.854 -4.052 1.483 1.00 0.00 H new ATOM 0 HG LEU B 471 1.744 -3.768 3.647 1.00 0.00 H new ATOM 0 HD11 LEU B 471 3.407 -4.893 5.081 1.00 0.00 H new ATOM 0 HD12 LEU B 471 2.896 -5.929 3.727 1.00 0.00 H new ATOM 0 HD13 LEU B 471 4.472 -5.104 3.671 1.00 0.00 H new ATOM 0 HD21 LEU B 471 3.448 -2.443 4.832 1.00 0.00 H new ATOM 0 HD22 LEU B 471 4.519 -2.561 3.416 1.00 0.00 H new ATOM 0 HD23 LEU B 471 2.975 -1.685 3.293 1.00 0.00 H new ATOM 1365 N GLN B 472 1.350 -4.095 -0.919 1.00 0.00 N ATOM 1366 CA GLN B 472 1.258 -4.460 -2.328 1.00 0.00 C ATOM 1367 C GLN B 472 0.802 -3.284 -3.183 1.00 0.00 C ATOM 1368 O GLN B 472 1.226 -3.139 -4.331 1.00 0.00 O ATOM 1369 CB GLN B 472 0.324 -5.651 -2.484 1.00 0.00 C ATOM 1370 CG GLN B 472 0.978 -6.955 -2.056 1.00 0.00 C ATOM 1371 CD GLN B 472 -0.016 -8.050 -1.752 1.00 0.00 C ATOM 1372 OE1 GLN B 472 0.249 -9.226 -1.995 1.00 0.00 O ATOM 1373 NE2 GLN B 472 -1.154 -7.684 -1.194 1.00 0.00 N ATOM 0 H GLN B 472 0.713 -4.610 -0.311 1.00 0.00 H new ATOM 0 HA GLN B 472 2.251 -4.739 -2.681 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -0.575 -5.486 -1.890 1.00 0.00 H new ATOM 0 HB3 GLN B 472 0.009 -5.729 -3.524 1.00 0.00 H new ATOM 0 HG2 GLN B 472 1.650 -7.293 -2.845 1.00 0.00 H new ATOM 0 HG3 GLN B 472 1.590 -6.774 -1.172 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -1.337 -6.698 -1.008 1.00 0.00 H new ATOM 0 HE22 GLN B 472 -1.851 -8.387 -0.948 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.044 -2.437 -2.614 1.00 0.00 N ATOM 1383 CA CYS B 473 -0.490 -1.229 -3.295 1.00 0.00 C ATOM 1384 C CYS B 473 0.661 -0.232 -3.410 1.00 0.00 C ATOM 1385 O CYS B 473 0.998 0.215 -4.505 1.00 0.00 O ATOM 1386 CB CYS B 473 -1.664 -0.608 -2.536 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.066 -1.730 -2.319 1.00 0.00 S ATOM 0 H CYS B 473 -0.436 -2.564 -1.681 1.00 0.00 H new ATOM 0 HA CYS B 473 -0.821 -1.489 -4.301 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.318 -0.279 -1.556 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.001 0.281 -3.070 1.00 0.00 H new ATOM 0 HG CYS B 473 -2.671 -2.803 -1.701 1.00 0.00 H new ATOM 1393 N VAL B 474 1.258 0.095 -2.265 1.00 0.00 N ATOM 1394 CA VAL B 474 2.429 0.966 -2.192 1.00 0.00 C ATOM 1395 C VAL B 474 3.504 0.577 -3.212 1.00 0.00 C ATOM 1396 O VAL B 474 3.982 1.425 -3.969 1.00 0.00 O ATOM 1397 CB VAL B 474 3.038 0.925 -0.771 1.00 0.00 C ATOM 1398 CG1 VAL B 474 4.381 1.634 -0.720 1.00 0.00 C ATOM 1399 CG2 VAL B 474 2.074 1.525 0.241 1.00 0.00 C ATOM 0 H VAL B 474 0.940 -0.240 -1.355 1.00 0.00 H new ATOM 0 HA VAL B 474 2.090 1.975 -2.426 1.00 0.00 H new ATOM 0 HB VAL B 474 3.207 -0.120 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL B 474 4.780 1.586 0.293 1.00 0.00 H new ATOM 0 HG12 VAL B 474 5.075 1.149 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL B 474 4.253 2.677 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL B 474 2.520 1.487 1.235 1.00 0.00 H new ATOM 0 HG22 VAL B 474 1.866 2.562 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL B 474 1.144 0.957 0.239 1.00 0.00 H new ATOM 1409 N ARG B 475 3.857 -0.705 -3.245 1.00 0.00 N ATOM 1410 CA ARG B 475 4.938 -1.183 -4.104 1.00 0.00 C ATOM 1411 C ARG B 475 4.601 -0.981 -5.577 1.00 0.00 C ATOM 1412 O ARG B 475 5.479 -0.704 -6.394 1.00 0.00 O ATOM 1413 CB ARG B 475 5.226 -2.664 -3.848 1.00 0.00 C ATOM 1414 CG ARG B 475 5.727 -2.980 -2.447 1.00 0.00 C ATOM 1415 CD ARG B 475 7.032 -2.267 -2.130 1.00 0.00 C ATOM 1416 NE ARG B 475 7.663 -2.814 -0.928 1.00 0.00 N ATOM 1417 CZ ARG B 475 8.820 -2.386 -0.429 1.00 0.00 C ATOM 1418 NH1 ARG B 475 9.418 -1.323 -0.940 1.00 0.00 N ATOM 1419 NH2 ARG B 475 9.360 -3.005 0.614 1.00 0.00 N ATOM 0 H ARG B 475 3.410 -1.432 -2.687 1.00 0.00 H new ATOM 0 HA ARG B 475 5.826 -0.599 -3.862 1.00 0.00 H new ATOM 0 HB2 ARG B 475 4.315 -3.234 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG B 475 5.967 -3.006 -4.570 1.00 0.00 H new ATOM 0 HG2 ARG B 475 4.970 -2.690 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG B 475 5.869 -4.056 -2.348 1.00 0.00 H new ATOM 0 HD2 ARG B 475 7.714 -2.361 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG B 475 6.842 -1.203 -1.990 1.00 0.00 H new ATOM 0 HE ARG B 475 7.185 -3.572 -0.441 1.00 0.00 H new ATOM 0 HH11 ARG B 475 8.993 -0.825 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG B 475 10.305 -1.001 -0.552 1.00 0.00 H new ATOM 0 HH21 ARG B 475 8.888 -3.807 1.031 1.00 0.00 H new ATOM 0 HH22 ARG B 475 10.247 -2.678 0.998 1.00 0.00 H new ATOM 1433 N TYR B 476 3.325 -1.118 -5.913 1.00 0.00 N ATOM 1434 CA TYR B 476 2.876 -0.949 -7.280 1.00 0.00 C ATOM 1435 C TYR B 476 2.843 0.528 -7.654 1.00 0.00 C ATOM 1436 O TYR B 476 3.368 0.928 -8.695 1.00 0.00 O ATOM 1437 CB TYR B 476 1.489 -1.580 -7.462 1.00 0.00 C ATOM 1438 CG TYR B 476 0.638 -0.872 -8.495 1.00 0.00 C ATOM 1439 CD1 TYR B 476 -0.287 0.083 -8.104 1.00 0.00 C ATOM 1440 CD2 TYR B 476 0.782 -1.133 -9.851 1.00 0.00 C ATOM 1441 CE1 TYR B 476 -1.045 0.766 -9.033 1.00 0.00 C ATOM 1442 CE2 TYR B 476 0.021 -0.458 -10.790 1.00 0.00 C ATOM 1443 CZ TYR B 476 -0.890 0.492 -10.375 1.00 0.00 C ATOM 1444 OH TYR B 476 -1.640 1.179 -11.303 1.00 0.00 O ATOM 0 H TYR B 476 2.583 -1.347 -5.251 1.00 0.00 H new ATOM 0 HA TYR B 476 3.579 -1.453 -7.942 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.608 -2.624 -7.753 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.967 -1.574 -6.505 1.00 0.00 H new ATOM 0 HD1 TYR B 476 -0.417 0.297 -7.053 1.00 0.00 H new ATOM 0 HD2 TYR B 476 1.498 -1.873 -10.178 1.00 0.00 H new ATOM 0 HE1 TYR B 476 -1.756 1.512 -8.710 1.00 0.00 H new ATOM 0 HE2 TYR B 476 0.140 -0.674 -11.842 1.00 0.00 H new ATOM 0 HH TYR B 476 -1.411 0.868 -12.204 1.00 0.00 H new ATOM 1454 N ILE B 477 2.225 1.332 -6.797 1.00 0.00 N ATOM 1455 CA ILE B 477 2.051 2.751 -7.066 1.00 0.00 C ATOM 1456 C ILE B 477 3.398 3.434 -7.219 1.00 0.00 C ATOM 1457 O ILE B 477 3.701 3.993 -8.267 1.00 0.00 O ATOM 1458 CB ILE B 477 1.248 3.442 -5.948 1.00 0.00 C ATOM 1459 CG1 ILE B 477 -0.150 2.833 -5.857 1.00 0.00 C ATOM 1460 CG2 ILE B 477 1.168 4.944 -6.199 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -0.944 3.311 -4.667 1.00 0.00 C ATOM 0 H ILE B 477 1.835 1.022 -5.907 1.00 0.00 H new ATOM 0 HA ILE B 477 1.492 2.839 -7.998 1.00 0.00 H new ATOM 0 HB ILE B 477 1.758 3.285 -4.998 1.00 0.00 H new ATOM 0 HG12 ILE B 477 -0.700 3.070 -6.768 1.00 0.00 H new ATOM 0 HG13 ILE B 477 -0.061 1.748 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE B 477 0.597 5.417 -5.400 1.00 0.00 H new ATOM 0 HG22 ILE B 477 2.174 5.363 -6.223 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.676 5.128 -7.154 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -1.925 2.836 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -0.417 3.050 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -1.065 4.393 -4.721 1.00 0.00 H new ATOM 1473 N ILE B 478 4.217 3.341 -6.183 1.00 0.00 N ATOM 1474 CA ILE B 478 5.533 3.962 -6.182 1.00 0.00 C ATOM 1475 C ILE B 478 6.380 3.487 -7.363 1.00 0.00 C ATOM 1476 O ILE B 478 7.279 4.197 -7.811 1.00 0.00 O ATOM 1477 CB ILE B 478 6.262 3.690 -4.846 1.00 0.00 C ATOM 1478 CG1 ILE B 478 5.518 4.390 -3.710 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.717 4.143 -4.890 1.00 0.00 C ATOM 1480 CD1 ILE B 478 6.187 4.240 -2.369 1.00 0.00 C ATOM 0 H ILE B 478 3.991 2.837 -5.325 1.00 0.00 H new ATOM 0 HA ILE B 478 5.390 5.037 -6.289 1.00 0.00 H new ATOM 0 HB ILE B 478 6.267 2.614 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE B 478 5.428 5.451 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE B 478 4.506 3.990 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE B 478 8.192 3.934 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE B 478 8.242 3.606 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE B 478 7.759 5.214 -5.090 1.00 0.00 H new ATOM 0 HD11 ILE B 478 5.603 4.762 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE B 478 6.253 3.183 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE B 478 7.189 4.666 -2.413 1.00 0.00 H new ATOM 1492 N LYS B 479 6.063 2.312 -7.896 1.00 0.00 N ATOM 1493 CA LYS B 479 6.823 1.758 -9.012 1.00 0.00 C ATOM 1494 C LYS B 479 6.698 2.619 -10.261 1.00 0.00 C ATOM 1495 O LYS B 479 7.699 2.961 -10.890 1.00 0.00 O ATOM 1496 CB LYS B 479 6.381 0.332 -9.332 1.00 0.00 C ATOM 1497 CG LYS B 479 7.164 -0.279 -10.482 1.00 0.00 C ATOM 1498 CD LYS B 479 6.589 -1.613 -10.913 1.00 0.00 C ATOM 1499 CE LYS B 479 6.723 -2.668 -9.829 1.00 0.00 C ATOM 1500 NZ LYS B 479 6.244 -3.996 -10.292 1.00 0.00 N ATOM 0 H LYS B 479 5.290 1.728 -7.576 1.00 0.00 H new ATOM 0 HA LYS B 479 7.868 1.745 -8.701 1.00 0.00 H new ATOM 0 HB2 LYS B 479 6.502 -0.289 -8.445 1.00 0.00 H new ATOM 0 HB3 LYS B 479 5.319 0.332 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS B 479 7.161 0.408 -11.328 1.00 0.00 H new ATOM 0 HG3 LYS B 479 8.204 -0.412 -10.183 1.00 0.00 H new ATOM 0 HD2 LYS B 479 5.537 -1.488 -11.169 1.00 0.00 H new ATOM 0 HD3 LYS B 479 7.099 -1.953 -11.815 1.00 0.00 H new ATOM 0 HE2 LYS B 479 7.766 -2.744 -9.522 1.00 0.00 H new ATOM 0 HE3 LYS B 479 6.154 -2.362 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 6.351 -4.690 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 5.242 -3.929 -10.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 6.804 -4.299 -11.114 1.00 0.00 H new ATOM 1514 N LYS B 480 5.479 2.982 -10.613 1.00 0.00 N ATOM 1515 CA LYS B 480 5.248 3.730 -11.836 1.00 0.00 C ATOM 1516 C LYS B 480 4.945 5.191 -11.540 1.00 0.00 C ATOM 1517 O LYS B 480 4.977 6.037 -12.434 1.00 0.00 O ATOM 1518 CB LYS B 480 4.140 3.068 -12.675 1.00 0.00 C ATOM 1519 CG LYS B 480 3.072 2.351 -11.857 1.00 0.00 C ATOM 1520 CD LYS B 480 2.116 3.321 -11.189 1.00 0.00 C ATOM 1521 CE LYS B 480 1.152 3.930 -12.193 1.00 0.00 C ATOM 1522 NZ LYS B 480 0.145 4.799 -11.537 1.00 0.00 N ATOM 0 H LYS B 480 4.638 2.773 -10.074 1.00 0.00 H new ATOM 0 HA LYS B 480 6.163 3.712 -12.428 1.00 0.00 H new ATOM 0 HB2 LYS B 480 3.660 3.832 -13.287 1.00 0.00 H new ATOM 0 HB3 LYS B 480 4.597 2.353 -13.359 1.00 0.00 H new ATOM 0 HG2 LYS B 480 2.511 1.678 -12.505 1.00 0.00 H new ATOM 0 HG3 LYS B 480 3.552 1.734 -11.097 1.00 0.00 H new ATOM 0 HD2 LYS B 480 1.555 2.803 -10.411 1.00 0.00 H new ATOM 0 HD3 LYS B 480 2.682 4.113 -10.699 1.00 0.00 H new ATOM 0 HE2 LYS B 480 1.711 4.512 -12.926 1.00 0.00 H new ATOM 0 HE3 LYS B 480 0.645 3.134 -12.738 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 -0.493 5.195 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 -0.406 4.239 -10.856 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 0.627 5.574 -11.038 1.00 0.00 H new