USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 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 Single : A 14 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 17 HIS : no HD1:sc=-0.00266 X(o=-0.0027,f=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -130:sc= 0 (180deg=-0.934) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00745) USER MOD Single : A 38 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.36) USER MOD Single : A 39 ASN : amide:sc= -0.0204 K(o=-0.02,f=-1.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 165:sc= -0.0081 USER MOD Single : A 72 SER OG : rot -34:sc= 0.835 USER MOD Single : A 73 HIS : no HE2:sc= 0.427 K(o=0.43,f=-1.9) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 17:sc= 0.43 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot -1:sc= 0.39 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -160:sc= -0.0765 (180deg=-0.511) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.782 6.041 -4.309 1.00 0.00 N ATOM 98 CA VAL A 10 -1.590 5.378 -3.292 1.00 0.00 C ATOM 99 C VAL A 10 -2.220 4.102 -3.837 1.00 0.00 C ATOM 100 O VAL A 10 -2.967 4.134 -4.816 1.00 0.00 O ATOM 101 CB VAL A 10 -2.704 6.305 -2.769 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.602 6.757 -3.910 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.513 5.606 -1.687 1.00 0.00 C ATOM 0 HA VAL A 10 -0.921 5.126 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.242 7.190 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.383 7.411 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.009 7.298 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.059 5.886 -4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.296 6.275 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.967 4.704 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.857 5.338 -0.859 1.00 0.00 H new ATOM 113 N LEU A 11 -1.915 2.978 -3.197 1.00 0.00 N ATOM 114 CA LEU A 11 -2.451 1.688 -3.617 1.00 0.00 C ATOM 115 C LEU A 11 -3.536 1.211 -2.657 1.00 0.00 C ATOM 116 O LEU A 11 -3.256 0.877 -1.505 1.00 0.00 O ATOM 117 CB LEU A 11 -1.332 0.649 -3.698 1.00 0.00 C ATOM 118 CG LEU A 11 -1.749 -0.805 -3.477 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.539 -1.320 -4.670 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.528 -1.678 -3.227 1.00 0.00 C ATOM 0 H LEU A 11 -1.299 2.934 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.894 1.811 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.862 0.726 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.572 0.904 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.389 -0.850 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.828 -2.356 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.434 -0.712 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.923 -1.261 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.844 -2.710 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.138 -1.628 -4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.002 -1.323 -2.341 1.00 0.00 H new ATOM 132 N ASP A 12 -4.773 1.181 -3.138 1.00 0.00 N ATOM 133 CA ASP A 12 -5.900 0.741 -2.323 1.00 0.00 C ATOM 134 C ASP A 12 -5.953 -0.782 -2.245 1.00 0.00 C ATOM 135 O ASP A 12 -6.210 -1.456 -3.244 1.00 0.00 O ATOM 136 CB ASP A 12 -7.212 1.281 -2.894 1.00 0.00 C ATOM 137 CG ASP A 12 -8.390 0.374 -2.597 1.00 0.00 C ATOM 138 OD1 ASP A 12 -8.501 -0.095 -1.445 1.00 0.00 O ATOM 139 OD2 ASP A 12 -9.200 0.132 -3.517 1.00 0.00 O ATOM 0 H ASP A 12 -5.022 1.456 -4.088 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.763 1.134 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.405 2.270 -2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.113 1.401 -3.973 1.00 0.00 H new ATOM 144 N LEU A 13 -5.709 -1.317 -1.055 1.00 0.00 N ATOM 145 CA LEU A 13 -5.727 -2.761 -0.847 1.00 0.00 C ATOM 146 C LEU A 13 -7.110 -3.229 -0.403 1.00 0.00 C ATOM 147 O LEU A 13 -7.482 -4.384 -0.612 1.00 0.00 O ATOM 148 CB LEU A 13 -4.682 -3.160 0.196 1.00 0.00 C ATOM 149 CG LEU A 13 -3.221 -3.019 -0.230 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.297 -3.182 0.967 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.881 -4.034 -1.312 1.00 0.00 C ATOM 0 H LEU A 13 -5.496 -0.773 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.487 -3.243 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.839 -2.555 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.858 -4.198 0.479 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.077 -2.019 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.261 -3.078 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.524 -2.416 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.443 -4.168 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.837 -3.919 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.042 -5.042 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.520 -3.869 -2.179 1.00 0.00 H new ATOM 163 N HIS A 14 -7.867 -2.324 0.210 1.00 0.00 N ATOM 164 CA HIS A 14 -9.210 -2.644 0.681 1.00 0.00 C ATOM 165 C HIS A 14 -10.045 -3.262 -0.436 1.00 0.00 C ATOM 166 O HIS A 14 -10.193 -2.680 -1.510 1.00 0.00 O ATOM 167 CB HIS A 14 -9.899 -1.387 1.212 1.00 0.00 C ATOM 168 CG HIS A 14 -11.305 -1.624 1.672 1.00 0.00 C ATOM 169 ND1 HIS A 14 -11.630 -1.910 2.981 1.00 0.00 N ATOM 170 CD2 HIS A 14 -12.473 -1.614 0.989 1.00 0.00 C ATOM 171 CE1 HIS A 14 -12.938 -2.068 3.083 1.00 0.00 C ATOM 172 NE2 HIS A 14 -13.473 -1.893 1.889 1.00 0.00 N ATOM 0 H HIS A 14 -7.574 -1.364 0.392 1.00 0.00 H new ATOM 0 HA HIS A 14 -9.122 -3.370 1.489 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.317 -0.986 2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.904 -0.628 0.430 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.596 -1.422 -0.067 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.478 -2.301 3.989 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.467 -1.955 1.670 1.00 0.00 H new ATOM 180 N GLY A 15 -10.588 -4.448 -0.176 1.00 0.00 N ATOM 181 CA GLY A 15 -11.400 -5.126 -1.169 1.00 0.00 C ATOM 182 C GLY A 15 -10.789 -6.437 -1.621 1.00 0.00 C ATOM 183 O GLY A 15 -11.504 -7.395 -1.917 1.00 0.00 O ATOM 0 H GLY A 15 -10.480 -4.951 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.391 -5.314 -0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.532 -4.474 -2.032 1.00 0.00 H new ATOM 187 N LEU A 16 -9.462 -6.481 -1.678 1.00 0.00 N ATOM 188 CA LEU A 16 -8.754 -7.685 -2.099 1.00 0.00 C ATOM 189 C LEU A 16 -8.534 -8.628 -0.921 1.00 0.00 C ATOM 190 O LEU A 16 -8.819 -8.282 0.226 1.00 0.00 O ATOM 191 CB LEU A 16 -7.409 -7.315 -2.728 1.00 0.00 C ATOM 192 CG LEU A 16 -7.453 -6.871 -4.191 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.276 -5.961 -4.507 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.458 -8.079 -5.116 1.00 0.00 C ATOM 0 H LEU A 16 -8.855 -5.697 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.368 -8.197 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.963 -6.514 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.745 -8.176 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.374 -6.311 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.323 -5.655 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.316 -5.079 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.344 -6.496 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.490 -7.743 -6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.555 -8.667 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.333 -8.694 -4.907 1.00 0.00 H new ATOM 206 N HIS A 17 -8.025 -9.821 -1.211 1.00 0.00 N ATOM 207 CA HIS A 17 -7.764 -10.813 -0.175 1.00 0.00 C ATOM 208 C HIS A 17 -6.347 -10.669 0.372 1.00 0.00 C ATOM 209 O HIS A 17 -5.418 -10.332 -0.362 1.00 0.00 O ATOM 210 CB HIS A 17 -7.968 -12.224 -0.727 1.00 0.00 C ATOM 211 CG HIS A 17 -8.146 -13.264 0.336 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.363 -14.396 0.420 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.023 -13.338 1.364 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.752 -15.122 1.453 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.757 -14.502 2.043 1.00 0.00 N ATOM 0 H HIS A 17 -7.785 -10.124 -2.155 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.468 -10.644 0.640 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.843 -12.228 -1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.111 -12.491 -1.345 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.789 -12.616 1.606 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.321 -16.063 1.762 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.255 -14.833 2.869 1.00 0.00 H new ATOM 223 N VAL A 18 -6.189 -10.924 1.667 1.00 0.00 N ATOM 224 CA VAL A 18 -4.885 -10.822 2.313 1.00 0.00 C ATOM 225 C VAL A 18 -3.770 -11.268 1.373 1.00 0.00 C ATOM 226 O VAL A 18 -2.942 -10.462 0.950 1.00 0.00 O ATOM 227 CB VAL A 18 -4.828 -11.669 3.598 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.388 -11.850 4.055 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.667 -11.031 4.694 1.00 0.00 C ATOM 0 H VAL A 18 -6.947 -11.203 2.290 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.740 -9.773 2.572 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.242 -12.654 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.368 -12.451 4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.819 -12.354 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.944 -10.875 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.615 -11.643 5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.285 -10.033 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.703 -10.959 4.364 1.00 0.00 H new ATOM 239 N ASP A 19 -3.756 -12.557 1.050 1.00 0.00 N ATOM 240 CA ASP A 19 -2.744 -13.111 0.159 1.00 0.00 C ATOM 241 C ASP A 19 -2.486 -12.175 -1.018 1.00 0.00 C ATOM 242 O ASP A 19 -1.339 -11.945 -1.400 1.00 0.00 O ATOM 243 CB ASP A 19 -3.181 -14.484 -0.352 1.00 0.00 C ATOM 244 CG ASP A 19 -3.095 -15.554 0.718 1.00 0.00 C ATOM 245 OD1 ASP A 19 -2.163 -15.490 1.547 1.00 0.00 O ATOM 246 OD2 ASP A 19 -3.959 -16.456 0.727 1.00 0.00 O ATOM 0 H ASP A 19 -4.434 -13.237 1.392 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.818 -13.220 0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.206 -14.423 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.556 -14.769 -1.198 1.00 0.00 H new ATOM 251 N GLU A 20 -3.560 -11.639 -1.589 1.00 0.00 N ATOM 252 CA GLU A 20 -3.449 -10.731 -2.724 1.00 0.00 C ATOM 253 C GLU A 20 -2.831 -9.402 -2.298 1.00 0.00 C ATOM 254 O GLU A 20 -1.715 -9.068 -2.696 1.00 0.00 O ATOM 255 CB GLU A 20 -4.824 -10.489 -3.349 1.00 0.00 C ATOM 256 CG GLU A 20 -5.237 -11.560 -4.344 1.00 0.00 C ATOM 257 CD GLU A 20 -5.540 -12.888 -3.679 1.00 0.00 C ATOM 258 OE1 GLU A 20 -4.583 -13.589 -3.289 1.00 0.00 O ATOM 259 OE2 GLU A 20 -6.735 -13.227 -3.549 1.00 0.00 O ATOM 0 H GLU A 20 -4.517 -11.818 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.798 -11.195 -3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.570 -10.435 -2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.821 -9.521 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.117 -11.223 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.441 -11.698 -5.076 1.00 0.00 H new ATOM 266 N ALA A 21 -3.565 -8.647 -1.487 1.00 0.00 N ATOM 267 CA ALA A 21 -3.090 -7.356 -1.006 1.00 0.00 C ATOM 268 C ALA A 21 -1.586 -7.384 -0.753 1.00 0.00 C ATOM 269 O ALA A 21 -0.886 -6.401 -1.000 1.00 0.00 O ATOM 270 CB ALA A 21 -3.832 -6.959 0.262 1.00 0.00 C ATOM 0 H ALA A 21 -4.491 -8.908 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.289 -6.613 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.467 -5.993 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.899 -6.889 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.662 -7.710 1.033 1.00 0.00 H new ATOM 276 N LEU A 22 -1.095 -8.516 -0.260 1.00 0.00 N ATOM 277 CA LEU A 22 0.327 -8.672 0.027 1.00 0.00 C ATOM 278 C LEU A 22 1.154 -8.581 -1.252 1.00 0.00 C ATOM 279 O LEU A 22 2.078 -7.775 -1.349 1.00 0.00 O ATOM 280 CB LEU A 22 0.584 -10.011 0.720 1.00 0.00 C ATOM 281 CG LEU A 22 0.516 -10.000 2.247 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.867 -11.370 2.807 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.445 -8.937 2.814 1.00 0.00 C ATOM 0 H LEU A 22 -1.660 -9.339 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 22 0.629 -7.862 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.142 -10.735 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.570 -10.368 0.423 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.505 -9.759 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.813 -11.343 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.162 -12.110 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.877 -11.640 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.384 -8.943 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.469 -9.148 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.148 -7.957 2.440 1.00 0.00 H new ATOM 295 N GLU A 23 0.812 -9.412 -2.232 1.00 0.00 N ATOM 296 CA GLU A 23 1.522 -9.424 -3.505 1.00 0.00 C ATOM 297 C GLU A 23 1.589 -8.022 -4.104 1.00 0.00 C ATOM 298 O GLU A 23 2.637 -7.591 -4.586 1.00 0.00 O ATOM 299 CB GLU A 23 0.838 -10.378 -4.487 1.00 0.00 C ATOM 300 CG GLU A 23 -0.195 -9.701 -5.373 1.00 0.00 C ATOM 301 CD GLU A 23 -0.804 -10.649 -6.387 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.650 -11.478 -5.991 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.436 -10.563 -7.577 1.00 0.00 O ATOM 0 H GLU A 23 0.048 -10.085 -2.168 1.00 0.00 H new ATOM 0 HA GLU A 23 2.539 -9.771 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.596 -10.843 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.355 -11.178 -3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.986 -9.285 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.271 -8.866 -5.896 1.00 0.00 H new ATOM 310 N HIS A 24 0.464 -7.316 -4.069 1.00 0.00 N ATOM 311 CA HIS A 24 0.394 -5.962 -4.608 1.00 0.00 C ATOM 312 C HIS A 24 1.375 -5.040 -3.890 1.00 0.00 C ATOM 313 O HIS A 24 2.128 -4.301 -4.526 1.00 0.00 O ATOM 314 CB HIS A 24 -1.027 -5.413 -4.481 1.00 0.00 C ATOM 315 CG HIS A 24 -1.918 -5.787 -5.625 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.943 -5.095 -6.818 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.819 -6.789 -5.755 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.821 -5.655 -7.631 1.00 0.00 C ATOM 319 NE2 HIS A 24 -3.367 -6.685 -7.009 1.00 0.00 N ATOM 0 H HIS A 24 -0.412 -7.658 -3.673 1.00 0.00 H new ATOM 0 HA HIS A 24 0.667 -6.002 -5.663 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.467 -5.779 -3.554 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.983 -4.326 -4.406 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.062 -7.532 -5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.053 -5.327 -8.633 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.080 -7.302 -7.398 1.00 0.00 H new ATOM 327 N LEU A 25 1.360 -5.088 -2.562 1.00 0.00 N ATOM 328 CA LEU A 25 2.248 -4.257 -1.757 1.00 0.00 C ATOM 329 C LEU A 25 3.698 -4.421 -2.200 1.00 0.00 C ATOM 330 O LEU A 25 4.352 -3.453 -2.588 1.00 0.00 O ATOM 331 CB LEU A 25 2.111 -4.616 -0.276 1.00 0.00 C ATOM 332 CG LEU A 25 2.932 -3.770 0.698 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.160 -2.524 1.104 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.312 -4.588 1.924 1.00 0.00 C ATOM 0 H LEU A 25 0.743 -5.693 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 25 1.960 -3.216 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.060 -4.536 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.396 -5.660 -0.148 1.00 0.00 H new ATOM 0 HG LEU A 25 3.848 -3.457 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.760 -1.934 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.939 -1.928 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.228 -2.815 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.896 -3.971 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.408 -4.930 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.905 -5.450 1.617 1.00 0.00 H new ATOM 346 N MET A 26 4.194 -5.652 -2.141 1.00 0.00 N ATOM 347 CA MET A 26 5.566 -5.943 -2.539 1.00 0.00 C ATOM 348 C MET A 26 5.797 -5.576 -4.002 1.00 0.00 C ATOM 349 O MET A 26 6.760 -4.885 -4.333 1.00 0.00 O ATOM 350 CB MET A 26 5.881 -7.424 -2.317 1.00 0.00 C ATOM 351 CG MET A 26 5.021 -8.360 -3.151 1.00 0.00 C ATOM 352 SD MET A 26 5.342 -10.098 -2.796 1.00 0.00 S ATOM 353 CE MET A 26 4.460 -10.297 -1.249 1.00 0.00 C ATOM 0 H MET A 26 3.666 -6.464 -1.821 1.00 0.00 H new ATOM 0 HA MET A 26 6.233 -5.341 -1.922 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.930 -7.603 -2.551 1.00 0.00 H new ATOM 0 HB3 MET A 26 5.745 -7.662 -1.262 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.969 -8.143 -2.965 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.203 -8.169 -4.209 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.113 -10.771 -0.516 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.148 -9.320 -0.880 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.581 -10.922 -1.409 1.00 0.00 H new ATOM 363 N ARG A 27 4.908 -6.043 -4.872 1.00 0.00 N ATOM 364 CA ARG A 27 5.016 -5.765 -6.299 1.00 0.00 C ATOM 365 C ARG A 27 5.198 -4.271 -6.549 1.00 0.00 C ATOM 366 O ARG A 27 6.080 -3.860 -7.303 1.00 0.00 O ATOM 367 CB ARG A 27 3.773 -6.269 -7.034 1.00 0.00 C ATOM 368 CG ARG A 27 3.876 -7.717 -7.483 1.00 0.00 C ATOM 369 CD ARG A 27 2.791 -8.067 -8.490 1.00 0.00 C ATOM 370 NE ARG A 27 2.971 -7.361 -9.756 1.00 0.00 N ATOM 371 CZ ARG A 27 1.994 -7.167 -10.634 1.00 0.00 C ATOM 372 NH1 ARG A 27 0.774 -7.623 -10.385 1.00 0.00 N ATOM 373 NH2 ARG A 27 2.236 -6.515 -11.764 1.00 0.00 N ATOM 0 H ARG A 27 4.105 -6.616 -4.614 1.00 0.00 H new ATOM 0 HA ARG A 27 5.892 -6.289 -6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.907 -6.161 -6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.596 -5.639 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.856 -7.893 -7.927 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.796 -8.374 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.797 -9.142 -8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.815 -7.819 -8.072 1.00 0.00 H new ATOM 0 HE ARG A 27 3.898 -6.997 -9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.584 -8.124 -9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.025 -7.472 -11.061 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.173 -6.162 -11.959 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.485 -6.366 -12.438 1.00 0.00 H new ATOM 387 N VAL A 28 4.356 -3.463 -5.912 1.00 0.00 N ATOM 388 CA VAL A 28 4.424 -2.014 -6.065 1.00 0.00 C ATOM 389 C VAL A 28 5.605 -1.435 -5.295 1.00 0.00 C ATOM 390 O VAL A 28 6.186 -0.425 -5.695 1.00 0.00 O ATOM 391 CB VAL A 28 3.127 -1.338 -5.581 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.911 -2.007 -6.202 1.00 0.00 C ATOM 393 CG2 VAL A 28 3.046 -1.370 -4.062 1.00 0.00 C ATOM 0 H VAL A 28 3.619 -3.787 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 28 4.555 -1.813 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 28 3.140 -0.296 -5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.005 -1.515 -5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.967 -1.927 -7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.889 -3.059 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.124 -0.888 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.056 -2.405 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.900 -0.840 -3.641 1.00 0.00 H new ATOM 403 N LEU A 29 5.957 -2.081 -4.189 1.00 0.00 N ATOM 404 CA LEU A 29 7.070 -1.630 -3.361 1.00 0.00 C ATOM 405 C LEU A 29 8.365 -1.586 -4.167 1.00 0.00 C ATOM 406 O LEU A 29 9.191 -0.694 -3.982 1.00 0.00 O ATOM 407 CB LEU A 29 7.240 -2.554 -2.153 1.00 0.00 C ATOM 408 CG LEU A 29 6.450 -2.173 -0.901 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.389 -3.343 0.068 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.067 -0.954 -0.231 1.00 0.00 C ATOM 0 H LEU A 29 5.488 -2.919 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 29 6.846 -0.622 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.950 -3.562 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.298 -2.589 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 29 5.432 -1.922 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.823 -3.053 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.900 -4.190 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.400 -3.626 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.491 -0.697 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.095 -1.177 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.057 -0.113 -0.925 1.00 0.00 H new ATOM 422 N GLU A 30 8.531 -2.553 -5.064 1.00 0.00 N ATOM 423 CA GLU A 30 9.724 -2.623 -5.899 1.00 0.00 C ATOM 424 C GLU A 30 9.478 -1.968 -7.255 1.00 0.00 C ATOM 425 O GLU A 30 10.365 -1.327 -7.818 1.00 0.00 O ATOM 426 CB GLU A 30 10.154 -4.078 -6.094 1.00 0.00 C ATOM 427 CG GLU A 30 10.821 -4.685 -4.870 1.00 0.00 C ATOM 428 CD GLU A 30 11.764 -5.819 -5.223 1.00 0.00 C ATOM 429 OE1 GLU A 30 12.957 -5.544 -5.468 1.00 0.00 O ATOM 430 OE2 GLU A 30 11.308 -6.981 -5.252 1.00 0.00 O ATOM 0 H GLU A 30 7.855 -3.298 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 30 10.522 -2.081 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.280 -4.675 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.842 -4.135 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.374 -3.909 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.055 -5.053 -4.188 1.00 0.00 H new ATOM 437 N LYS A 31 8.267 -2.135 -7.775 1.00 0.00 N ATOM 438 CA LYS A 31 7.901 -1.561 -9.064 1.00 0.00 C ATOM 439 C LYS A 31 7.809 -0.041 -8.977 1.00 0.00 C ATOM 440 O LYS A 31 8.011 0.662 -9.967 1.00 0.00 O ATOM 441 CB LYS A 31 6.565 -2.137 -9.541 1.00 0.00 C ATOM 442 CG LYS A 31 6.029 -1.470 -10.796 1.00 0.00 C ATOM 443 CD LYS A 31 4.978 -2.329 -11.479 1.00 0.00 C ATOM 444 CE LYS A 31 4.631 -1.793 -12.859 1.00 0.00 C ATOM 445 NZ LYS A 31 3.529 -0.793 -12.805 1.00 0.00 N ATOM 0 H LYS A 31 7.521 -2.664 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 31 8.679 -1.819 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.685 -3.204 -9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.829 -2.035 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.598 -0.502 -10.539 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.850 -1.280 -11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.343 -3.352 -11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.079 -2.363 -10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.515 -1.336 -13.304 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.340 -2.620 -13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.322 -0.452 -13.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.678 -1.236 -12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.816 0.008 -12.207 1.00 0.00 H new ATOM 459 N LYS A 32 7.504 0.461 -7.785 1.00 0.00 N ATOM 460 CA LYS A 32 7.387 1.898 -7.566 1.00 0.00 C ATOM 461 C LYS A 32 8.761 2.529 -7.360 1.00 0.00 C ATOM 462 O LYS A 32 9.197 3.364 -8.152 1.00 0.00 O ATOM 463 CB LYS A 32 6.497 2.180 -6.354 1.00 0.00 C ATOM 464 CG LYS A 32 5.052 1.754 -6.549 1.00 0.00 C ATOM 465 CD LYS A 32 4.250 2.820 -7.277 1.00 0.00 C ATOM 466 CE LYS A 32 2.755 2.619 -7.087 1.00 0.00 C ATOM 467 NZ LYS A 32 2.179 1.725 -8.130 1.00 0.00 N ATOM 0 H LYS A 32 7.333 -0.107 -6.955 1.00 0.00 H new ATOM 0 HA LYS A 32 6.932 2.340 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.905 1.663 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.526 3.247 -6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.019 0.823 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.597 1.554 -5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.535 3.806 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.489 2.794 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.568 2.194 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.252 3.585 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.158 1.613 -7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.335 2.142 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.641 0.795 -8.084 1.00 0.00 H new ATOM 481 N THR A 33 9.438 2.124 -6.290 1.00 0.00 N ATOM 482 CA THR A 33 10.762 2.650 -5.979 1.00 0.00 C ATOM 483 C THR A 33 11.622 2.749 -7.234 1.00 0.00 C ATOM 484 O THR A 33 12.530 3.576 -7.311 1.00 0.00 O ATOM 485 CB THR A 33 11.486 1.772 -4.941 1.00 0.00 C ATOM 486 OG1 THR A 33 12.681 2.424 -4.497 1.00 0.00 O ATOM 487 CG2 THR A 33 11.831 0.413 -5.529 1.00 0.00 C ATOM 0 H THR A 33 9.091 1.433 -5.624 1.00 0.00 H new ATOM 0 HA THR A 33 10.617 3.646 -5.562 1.00 0.00 H new ATOM 0 HB THR A 33 10.818 1.623 -4.093 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.135 1.860 -3.836 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.342 -0.189 -4.778 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.916 -0.092 -5.839 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.483 0.545 -6.393 1.00 0.00 H new ATOM 495 N GLU A 34 11.330 1.900 -8.214 1.00 0.00 N ATOM 496 CA GLU A 34 12.079 1.893 -9.466 1.00 0.00 C ATOM 497 C GLU A 34 11.967 3.239 -10.175 1.00 0.00 C ATOM 498 O GLU A 34 12.942 3.982 -10.275 1.00 0.00 O ATOM 499 CB GLU A 34 11.573 0.777 -10.382 1.00 0.00 C ATOM 500 CG GLU A 34 12.064 0.896 -11.815 1.00 0.00 C ATOM 501 CD GLU A 34 13.572 0.782 -11.926 1.00 0.00 C ATOM 502 OE1 GLU A 34 14.096 -0.338 -11.751 1.00 0.00 O ATOM 503 OE2 GLU A 34 14.228 1.812 -12.188 1.00 0.00 O ATOM 0 H GLU A 34 10.581 1.209 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 34 13.128 1.713 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.889 -0.185 -9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.483 0.782 -10.379 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.599 0.118 -12.420 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.744 1.853 -12.226 1.00 0.00 H new ATOM 510 N GLU A 35 10.770 3.545 -10.666 1.00 0.00 N ATOM 511 CA GLU A 35 10.530 4.800 -11.367 1.00 0.00 C ATOM 512 C GLU A 35 10.795 5.993 -10.453 1.00 0.00 C ATOM 513 O GLU A 35 10.943 7.124 -10.916 1.00 0.00 O ATOM 514 CB GLU A 35 9.093 4.853 -11.889 1.00 0.00 C ATOM 515 CG GLU A 35 8.800 3.829 -12.972 1.00 0.00 C ATOM 516 CD GLU A 35 9.611 4.064 -14.232 1.00 0.00 C ATOM 517 OE1 GLU A 35 10.822 3.758 -14.223 1.00 0.00 O ATOM 518 OE2 GLU A 35 9.035 4.555 -15.225 1.00 0.00 O ATOM 0 H GLU A 35 9.952 2.941 -10.591 1.00 0.00 H new ATOM 0 HA GLU A 35 11.217 4.851 -12.212 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.407 4.695 -11.057 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.894 5.851 -12.281 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.011 2.830 -12.589 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.738 3.858 -13.217 1.00 0.00 H new ATOM 525 N PHE A 36 10.853 5.732 -9.151 1.00 0.00 N ATOM 526 CA PHE A 36 11.099 6.783 -8.171 1.00 0.00 C ATOM 527 C PHE A 36 12.537 7.285 -8.260 1.00 0.00 C ATOM 528 O PHE A 36 12.804 8.474 -8.080 1.00 0.00 O ATOM 529 CB PHE A 36 10.813 6.269 -6.758 1.00 0.00 C ATOM 530 CG PHE A 36 11.687 6.890 -5.706 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.569 8.234 -5.393 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.628 6.129 -5.031 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.371 8.809 -4.425 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.433 6.697 -4.062 1.00 0.00 C ATOM 535 CZ PHE A 36 13.305 8.039 -3.759 1.00 0.00 C ATOM 0 H PHE A 36 10.733 4.802 -8.750 1.00 0.00 H new ATOM 0 HA PHE A 36 10.429 7.614 -8.391 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.769 6.464 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.948 5.188 -6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.841 8.840 -5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.733 5.080 -5.265 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.268 9.858 -4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.161 6.093 -3.542 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.934 8.485 -3.003 1.00 0.00 H new ATOM 545 N LYS A 37 13.460 6.371 -8.539 1.00 0.00 N ATOM 546 CA LYS A 37 14.871 6.719 -8.654 1.00 0.00 C ATOM 547 C LYS A 37 15.216 7.132 -10.081 1.00 0.00 C ATOM 548 O LYS A 37 16.010 8.047 -10.297 1.00 0.00 O ATOM 549 CB LYS A 37 15.745 5.537 -8.228 1.00 0.00 C ATOM 550 CG LYS A 37 15.543 5.121 -6.781 1.00 0.00 C ATOM 551 CD LYS A 37 15.793 3.635 -6.588 1.00 0.00 C ATOM 552 CE LYS A 37 15.660 3.232 -5.128 1.00 0.00 C ATOM 553 NZ LYS A 37 16.831 3.676 -4.321 1.00 0.00 N ATOM 0 H LYS A 37 13.256 5.383 -8.690 1.00 0.00 H new ATOM 0 HA LYS A 37 15.066 7.564 -7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.531 4.686 -8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.793 5.797 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.216 5.690 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.527 5.363 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.085 3.065 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.791 3.383 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.749 3.664 -4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.560 2.149 -5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.735 3.324 -3.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.705 3.299 -4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.872 4.715 -4.311 1.00 0.00 H new ATOM 567 N GLN A 38 14.613 6.452 -11.051 1.00 0.00 N ATOM 568 CA GLN A 38 14.856 6.749 -12.457 1.00 0.00 C ATOM 569 C GLN A 38 14.370 8.152 -12.809 1.00 0.00 C ATOM 570 O GLN A 38 15.137 8.981 -13.296 1.00 0.00 O ATOM 571 CB GLN A 38 14.160 5.717 -13.346 1.00 0.00 C ATOM 572 CG GLN A 38 14.792 4.336 -13.284 1.00 0.00 C ATOM 573 CD GLN A 38 16.218 4.322 -13.799 1.00 0.00 C ATOM 574 OE1 GLN A 38 17.166 4.523 -13.040 1.00 0.00 O ATOM 575 NE2 GLN A 38 16.377 4.085 -15.096 1.00 0.00 N ATOM 0 H GLN A 38 13.953 5.692 -10.888 1.00 0.00 H new ATOM 0 HA GLN A 38 15.931 6.702 -12.632 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.113 5.642 -13.051 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.176 6.069 -14.378 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.779 3.981 -12.254 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.192 3.639 -13.869 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.563 3.924 -15.689 1.00 0.00 H new ATOM 0 HE22 GLN A 38 17.314 4.064 -15.500 1.00 0.00 H new ATOM 584 N ASN A 39 13.091 8.409 -12.559 1.00 0.00 N ATOM 585 CA ASN A 39 12.502 9.711 -12.850 1.00 0.00 C ATOM 586 C ASN A 39 12.619 10.642 -11.647 1.00 0.00 C ATOM 587 O ASN A 39 13.313 11.657 -11.699 1.00 0.00 O ATOM 588 CB ASN A 39 11.032 9.553 -13.245 1.00 0.00 C ATOM 589 CG ASN A 39 10.487 10.782 -13.947 1.00 0.00 C ATOM 590 OD1 ASN A 39 11.242 11.665 -14.353 1.00 0.00 O ATOM 591 ND2 ASN A 39 9.168 10.843 -14.092 1.00 0.00 N ATOM 0 H ASN A 39 12.442 7.733 -12.156 1.00 0.00 H new ATOM 0 HA ASN A 39 13.050 10.151 -13.683 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.925 8.687 -13.899 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.438 9.354 -12.353 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.743 11.646 -14.556 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.581 10.087 -13.739 1.00 0.00 H new ATOM 598 N GLY A 40 11.934 10.289 -10.563 1.00 0.00 N ATOM 599 CA GLY A 40 11.975 11.103 -9.362 1.00 0.00 C ATOM 600 C GLY A 40 10.594 11.376 -8.800 1.00 0.00 C ATOM 601 O GLY A 40 9.785 12.059 -9.427 1.00 0.00 O ATOM 0 H GLY A 40 11.352 9.454 -10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.579 10.600 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.467 12.050 -9.585 1.00 0.00 H new ATOM 605 N GLY A 41 10.323 10.840 -7.614 1.00 0.00 N ATOM 606 CA GLY A 41 9.029 11.039 -6.988 1.00 0.00 C ATOM 607 C GLY A 41 9.123 11.130 -5.478 1.00 0.00 C ATOM 608 O GLY A 41 10.199 11.368 -4.928 1.00 0.00 O ATOM 0 H GLY A 41 10.977 10.271 -7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.578 11.952 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.368 10.216 -7.259 1.00 0.00 H new ATOM 612 N LYS A 42 7.994 10.943 -4.804 1.00 0.00 N ATOM 613 CA LYS A 42 7.952 11.006 -3.348 1.00 0.00 C ATOM 614 C LYS A 42 8.707 9.833 -2.731 1.00 0.00 C ATOM 615 O LYS A 42 8.589 8.688 -3.169 1.00 0.00 O ATOM 616 CB LYS A 42 6.502 11.006 -2.858 1.00 0.00 C ATOM 617 CG LYS A 42 5.689 12.184 -3.367 1.00 0.00 C ATOM 618 CD LYS A 42 4.196 11.916 -3.268 1.00 0.00 C ATOM 619 CE LYS A 42 3.383 13.091 -3.788 1.00 0.00 C ATOM 620 NZ LYS A 42 3.123 12.982 -5.250 1.00 0.00 N ATOM 0 H LYS A 42 7.095 10.746 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 42 8.435 11.932 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.021 10.080 -3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.495 11.014 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.939 13.075 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.955 12.390 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.948 11.020 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.929 11.718 -2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.435 13.141 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.915 14.020 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.566 13.802 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.028 12.960 -5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.593 12.108 -5.444 1.00 0.00 H new ATOM 634 N PRO A 43 9.501 10.121 -1.689 1.00 0.00 N ATOM 635 CA PRO A 43 10.289 9.103 -0.988 1.00 0.00 C ATOM 636 C PRO A 43 9.416 8.146 -0.184 1.00 0.00 C ATOM 637 O PRO A 43 9.918 7.223 0.458 1.00 0.00 O ATOM 638 CB PRO A 43 11.181 9.925 -0.055 1.00 0.00 C ATOM 639 CG PRO A 43 10.432 11.193 0.166 1.00 0.00 C ATOM 640 CD PRO A 43 9.689 11.464 -1.114 1.00 0.00 C ATOM 0 HA PRO A 43 10.843 8.469 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.359 9.402 0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.156 10.114 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.742 11.098 1.005 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.112 12.011 0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.736 11.959 -0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.259 12.111 -1.781 1.00 0.00 H new ATOM 648 N TYR A 44 8.107 8.372 -0.223 1.00 0.00 N ATOM 649 CA TYR A 44 7.165 7.530 0.504 1.00 0.00 C ATOM 650 C TYR A 44 6.046 7.046 -0.413 1.00 0.00 C ATOM 651 O TYR A 44 5.874 7.553 -1.523 1.00 0.00 O ATOM 652 CB TYR A 44 6.573 8.296 1.688 1.00 0.00 C ATOM 653 CG TYR A 44 5.889 9.586 1.294 1.00 0.00 C ATOM 654 CD1 TYR A 44 4.571 9.590 0.854 1.00 0.00 C ATOM 655 CD2 TYR A 44 6.561 10.800 1.360 1.00 0.00 C ATOM 656 CE1 TYR A 44 3.943 10.766 0.492 1.00 0.00 C ATOM 657 CE2 TYR A 44 5.941 11.981 1.002 1.00 0.00 C ATOM 658 CZ TYR A 44 4.631 11.959 0.568 1.00 0.00 C ATOM 659 OH TYR A 44 4.010 13.133 0.209 1.00 0.00 O ATOM 0 H TYR A 44 7.675 9.131 -0.750 1.00 0.00 H new ATOM 0 HA TYR A 44 7.707 6.660 0.876 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.855 7.656 2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.368 8.519 2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.028 8.658 0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.587 10.821 1.697 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.918 10.751 0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.478 12.916 1.061 1.00 0.00 H new ATOM 0 HH TYR A 44 4.633 13.881 0.322 1.00 0.00 H new ATOM 669 N LEU A 45 5.286 6.064 0.058 1.00 0.00 N ATOM 670 CA LEU A 45 4.182 5.510 -0.719 1.00 0.00 C ATOM 671 C LEU A 45 2.929 5.370 0.140 1.00 0.00 C ATOM 672 O LEU A 45 2.970 4.790 1.225 1.00 0.00 O ATOM 673 CB LEU A 45 4.572 4.150 -1.299 1.00 0.00 C ATOM 674 CG LEU A 45 3.569 3.519 -2.265 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.765 4.066 -3.670 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.701 2.003 -2.257 1.00 0.00 C ATOM 0 H LEU A 45 5.414 5.635 0.974 1.00 0.00 H new ATOM 0 HA LEU A 45 3.965 6.197 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.525 4.258 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.734 3.458 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 45 2.563 3.777 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.042 3.606 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.618 5.146 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.775 3.839 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.979 1.571 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.709 1.724 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.509 1.626 -1.252 1.00 0.00 H new ATOM 688 N SER A 46 1.817 5.902 -0.354 1.00 0.00 N ATOM 689 CA SER A 46 0.552 5.838 0.368 1.00 0.00 C ATOM 690 C SER A 46 -0.095 4.465 0.209 1.00 0.00 C ATOM 691 O SER A 46 -0.070 3.875 -0.871 1.00 0.00 O ATOM 692 CB SER A 46 -0.402 6.925 -0.132 1.00 0.00 C ATOM 693 OG SER A 46 0.219 8.198 -0.109 1.00 0.00 O ATOM 0 H SER A 46 1.766 6.383 -1.252 1.00 0.00 H new ATOM 0 HA SER A 46 0.757 6.004 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.724 6.692 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.297 6.942 0.490 1.00 0.00 H new ATOM 0 HG SER A 46 -0.410 8.875 -0.435 1.00 0.00 H new ATOM 699 N VAL A 47 -0.676 3.962 1.294 1.00 0.00 N ATOM 700 CA VAL A 47 -1.331 2.660 1.277 1.00 0.00 C ATOM 701 C VAL A 47 -2.634 2.689 2.067 1.00 0.00 C ATOM 702 O VAL A 47 -2.726 3.342 3.107 1.00 0.00 O ATOM 703 CB VAL A 47 -0.417 1.564 1.856 1.00 0.00 C ATOM 704 CG1 VAL A 47 -1.128 0.219 1.855 1.00 0.00 C ATOM 705 CG2 VAL A 47 0.886 1.488 1.074 1.00 0.00 C ATOM 0 H VAL A 47 -0.706 4.437 2.196 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.547 2.429 0.234 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.180 1.822 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.466 -0.543 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.030 0.284 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.398 -0.049 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.519 0.708 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.671 1.255 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.402 2.446 1.133 1.00 0.00 H new ATOM 715 N ILE A 48 -3.639 1.978 1.567 1.00 0.00 N ATOM 716 CA ILE A 48 -4.937 1.922 2.227 1.00 0.00 C ATOM 717 C ILE A 48 -5.430 0.484 2.348 1.00 0.00 C ATOM 718 O ILE A 48 -5.848 -0.127 1.364 1.00 0.00 O ATOM 719 CB ILE A 48 -5.991 2.752 1.469 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.553 4.216 1.384 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.346 2.637 2.151 1.00 0.00 C ATOM 722 CD1 ILE A 48 -6.432 5.057 0.485 1.00 0.00 C ATOM 0 H ILE A 48 -3.579 1.433 0.707 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.803 2.343 3.223 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.082 2.360 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.554 4.646 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.527 4.259 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.080 3.229 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.659 1.593 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.271 3.007 3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.063 6.083 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.412 4.651 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.455 5.044 0.861 1.00 0.00 H new ATOM 734 N THR A 49 -5.381 -0.052 3.564 1.00 0.00 N ATOM 735 CA THR A 49 -5.823 -1.418 3.815 1.00 0.00 C ATOM 736 C THR A 49 -7.333 -1.479 4.015 1.00 0.00 C ATOM 737 O THR A 49 -7.984 -2.442 3.612 1.00 0.00 O ATOM 738 CB THR A 49 -5.128 -2.014 5.054 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.537 -1.310 6.232 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.615 -1.941 4.913 1.00 0.00 C ATOM 0 H THR A 49 -5.040 0.439 4.390 1.00 0.00 H new ATOM 0 HA THR A 49 -5.551 -2.005 2.937 1.00 0.00 H new ATOM 0 HB THR A 49 -5.419 -3.061 5.138 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.092 -1.696 7.015 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.146 -2.368 5.800 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.304 -2.503 4.032 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.309 -0.900 4.806 1.00 0.00 H new ATOM 885 N ARG A 61 -7.772 -8.318 8.278 1.00 0.00 N ATOM 886 CA ARG A 61 -6.659 -9.260 8.263 1.00 0.00 C ATOM 887 C ARG A 61 -5.553 -8.780 7.327 1.00 0.00 C ATOM 888 O ARG A 61 -4.517 -9.430 7.189 1.00 0.00 O ATOM 889 CB ARG A 61 -7.142 -10.645 7.830 1.00 0.00 C ATOM 890 CG ARG A 61 -7.699 -11.480 8.972 1.00 0.00 C ATOM 891 CD ARG A 61 -8.692 -12.516 8.471 1.00 0.00 C ATOM 892 NE ARG A 61 -9.440 -13.132 9.565 1.00 0.00 N ATOM 893 CZ ARG A 61 -10.591 -13.774 9.399 1.00 0.00 C ATOM 894 NH1 ARG A 61 -11.123 -13.884 8.189 1.00 0.00 N ATOM 895 NH2 ARG A 61 -11.211 -14.307 10.443 1.00 0.00 N ATOM 0 HA ARG A 61 -6.255 -9.323 9.273 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.911 -10.530 7.066 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.313 -11.182 7.369 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.881 -11.980 9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.186 -10.828 9.697 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.388 -12.045 7.776 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.160 -13.288 7.915 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.057 -13.065 10.508 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.648 -13.475 7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.007 -14.377 8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.804 -14.224 11.375 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.095 -14.800 10.314 1.00 0.00 H new ATOM 909 N ILE A 62 -5.782 -7.638 6.686 1.00 0.00 N ATOM 910 CA ILE A 62 -4.805 -7.071 5.764 1.00 0.00 C ATOM 911 C ILE A 62 -3.730 -6.292 6.513 1.00 0.00 C ATOM 912 O ILE A 62 -2.558 -6.671 6.512 1.00 0.00 O ATOM 913 CB ILE A 62 -5.476 -6.141 4.736 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.436 -6.934 3.848 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.423 -5.438 3.892 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.274 -6.064 2.937 1.00 0.00 C ATOM 0 H ILE A 62 -6.635 -7.088 6.788 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.344 -7.907 5.239 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.049 -5.384 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.862 -7.635 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.097 -7.527 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.912 -4.784 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.775 -4.845 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.826 -6.180 3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.931 -6.693 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.875 -5.381 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.621 -5.490 2.280 1.00 0.00 H new ATOM 928 N LYS A 63 -4.136 -5.201 7.154 1.00 0.00 N ATOM 929 CA LYS A 63 -3.209 -4.369 7.911 1.00 0.00 C ATOM 930 C LYS A 63 -2.212 -5.228 8.683 1.00 0.00 C ATOM 931 O LYS A 63 -1.000 -5.020 8.622 1.00 0.00 O ATOM 932 CB LYS A 63 -3.976 -3.466 8.880 1.00 0.00 C ATOM 933 CG LYS A 63 -3.305 -2.125 9.123 1.00 0.00 C ATOM 934 CD LYS A 63 -2.477 -2.139 10.397 1.00 0.00 C ATOM 935 CE LYS A 63 -3.357 -2.065 11.635 1.00 0.00 C ATOM 936 NZ LYS A 63 -2.588 -2.336 12.880 1.00 0.00 N ATOM 0 H LYS A 63 -5.102 -4.873 7.164 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.658 -3.749 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.979 -3.295 8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.090 -3.984 9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.666 -1.878 8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.063 -1.344 9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.875 -3.047 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.784 -1.298 10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.813 -1.077 11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.170 -2.786 11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.224 -2.276 13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.174 -3.289 12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.828 -1.633 12.979 1.00 0.00 H new ATOM 950 N PRO A 64 -2.731 -6.217 9.425 1.00 0.00 N ATOM 951 CA PRO A 64 -1.903 -7.128 10.220 1.00 0.00 C ATOM 952 C PRO A 64 -0.729 -7.688 9.425 1.00 0.00 C ATOM 953 O PRO A 64 0.431 -7.458 9.767 1.00 0.00 O ATOM 954 CB PRO A 64 -2.874 -8.249 10.601 1.00 0.00 C ATOM 955 CG PRO A 64 -4.220 -7.610 10.572 1.00 0.00 C ATOM 956 CD PRO A 64 -4.167 -6.523 9.544 1.00 0.00 C ATOM 0 HA PRO A 64 -1.452 -6.626 11.076 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.815 -9.080 9.898 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.647 -8.650 11.589 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.988 -8.341 10.321 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.475 -7.203 11.551 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.585 -6.852 8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.737 -5.649 9.858 1.00 0.00 H new ATOM 964 N ALA A 65 -1.037 -8.424 8.362 1.00 0.00 N ATOM 965 CA ALA A 65 -0.007 -9.015 7.517 1.00 0.00 C ATOM 966 C ALA A 65 0.982 -7.958 7.037 1.00 0.00 C ATOM 967 O ALA A 65 2.180 -8.046 7.307 1.00 0.00 O ATOM 968 CB ALA A 65 -0.641 -9.724 6.330 1.00 0.00 C ATOM 0 H ALA A 65 -1.992 -8.625 8.066 1.00 0.00 H new ATOM 0 HA ALA A 65 0.541 -9.745 8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.140 -10.161 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.303 -10.513 6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.215 -9.008 5.742 1.00 0.00 H new ATOM 974 N VAL A 66 0.473 -6.958 6.324 1.00 0.00 N ATOM 975 CA VAL A 66 1.312 -5.884 5.806 1.00 0.00 C ATOM 976 C VAL A 66 2.372 -5.476 6.824 1.00 0.00 C ATOM 977 O VAL A 66 3.564 -5.450 6.517 1.00 0.00 O ATOM 978 CB VAL A 66 0.473 -4.648 5.431 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.374 -3.510 4.975 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.541 -5.000 4.354 1.00 0.00 C ATOM 0 H VAL A 66 -0.516 -6.869 6.092 1.00 0.00 H new ATOM 0 HA VAL A 66 1.801 -6.267 4.910 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.071 -4.317 6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.764 -2.645 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.058 -3.242 5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.947 -3.826 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.125 -4.115 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.019 -5.357 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.206 -5.781 4.722 1.00 0.00 H new ATOM 990 N ILE A 67 1.929 -5.158 8.036 1.00 0.00 N ATOM 991 CA ILE A 67 2.840 -4.753 9.099 1.00 0.00 C ATOM 992 C ILE A 67 3.910 -5.812 9.340 1.00 0.00 C ATOM 993 O ILE A 67 5.072 -5.491 9.590 1.00 0.00 O ATOM 994 CB ILE A 67 2.086 -4.492 10.416 1.00 0.00 C ATOM 995 CG1 ILE A 67 1.138 -3.301 10.260 1.00 0.00 C ATOM 996 CG2 ILE A 67 3.071 -4.246 11.550 1.00 0.00 C ATOM 997 CD1 ILE A 67 0.358 -2.980 11.515 1.00 0.00 C ATOM 0 H ILE A 67 0.945 -5.173 8.306 1.00 0.00 H new ATOM 0 HA ILE A 67 3.316 -3.828 8.772 1.00 0.00 H new ATOM 0 HB ILE A 67 1.494 -5.374 10.659 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.715 -2.424 9.967 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.438 -3.508 9.450 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.523 -4.063 12.474 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.709 -5.121 11.674 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.687 -3.378 11.315 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.293 -2.125 11.330 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.246 -3.842 11.798 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.050 -2.741 12.322 1.00 0.00 H new ATOM 1009 N LYS A 68 3.511 -7.077 9.261 1.00 0.00 N ATOM 1010 CA LYS A 68 4.435 -8.186 9.467 1.00 0.00 C ATOM 1011 C LYS A 68 5.434 -8.283 8.318 1.00 0.00 C ATOM 1012 O LYS A 68 6.616 -8.551 8.532 1.00 0.00 O ATOM 1013 CB LYS A 68 3.664 -9.501 9.599 1.00 0.00 C ATOM 1014 CG LYS A 68 4.406 -10.564 10.391 1.00 0.00 C ATOM 1015 CD LYS A 68 3.672 -11.894 10.364 1.00 0.00 C ATOM 1016 CE LYS A 68 4.607 -13.054 10.669 1.00 0.00 C ATOM 1017 NZ LYS A 68 5.079 -13.029 12.081 1.00 0.00 N ATOM 0 H LYS A 68 2.553 -7.360 9.056 1.00 0.00 H new ATOM 0 HA LYS A 68 4.986 -8.001 10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.706 -9.304 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.447 -9.887 8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.408 -10.692 9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.524 -10.234 11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.861 -11.878 11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.217 -12.040 9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.093 -13.995 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.465 -13.015 9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.714 -13.835 12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.591 -12.142 12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.262 -13.092 12.721 1.00 0.00 H new ATOM 1031 N TYR A 69 4.951 -8.061 7.101 1.00 0.00 N ATOM 1032 CA TYR A 69 5.801 -8.125 5.918 1.00 0.00 C ATOM 1033 C TYR A 69 6.789 -6.963 5.895 1.00 0.00 C ATOM 1034 O TYR A 69 7.930 -7.110 5.454 1.00 0.00 O ATOM 1035 CB TYR A 69 4.947 -8.109 4.649 1.00 0.00 C ATOM 1036 CG TYR A 69 5.730 -7.782 3.397 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.272 -6.518 3.203 1.00 0.00 C ATOM 1038 CD2 TYR A 69 5.928 -8.739 2.409 1.00 0.00 C ATOM 1039 CE1 TYR A 69 6.987 -6.215 2.060 1.00 0.00 C ATOM 1040 CE2 TYR A 69 6.643 -8.445 1.264 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.170 -7.182 1.094 1.00 0.00 C ATOM 1042 OH TYR A 69 7.882 -6.885 -0.045 1.00 0.00 O ATOM 0 H TYR A 69 3.975 -7.835 6.908 1.00 0.00 H new ATOM 0 HA TYR A 69 6.365 -9.057 5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.473 -9.083 4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.147 -7.378 4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.132 -5.759 3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.516 -9.729 2.538 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.400 -5.226 1.924 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.788 -9.200 0.506 1.00 0.00 H new ATOM 0 HH TYR A 69 8.126 -7.716 -0.504 1.00 0.00 H new ATOM 1052 N LEU A 70 6.343 -5.806 6.373 1.00 0.00 N ATOM 1053 CA LEU A 70 7.187 -4.617 6.409 1.00 0.00 C ATOM 1054 C LEU A 70 8.344 -4.799 7.387 1.00 0.00 C ATOM 1055 O LEU A 70 9.510 -4.778 6.994 1.00 0.00 O ATOM 1056 CB LEU A 70 6.359 -3.392 6.803 1.00 0.00 C ATOM 1057 CG LEU A 70 5.259 -2.982 5.823 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.277 -2.032 6.490 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.862 -2.344 4.580 1.00 0.00 C ATOM 0 H LEU A 70 5.402 -5.666 6.741 1.00 0.00 H new ATOM 0 HA LEU A 70 7.600 -4.464 5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.900 -3.585 7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.036 -2.547 6.933 1.00 0.00 H new ATOM 0 HG LEU A 70 4.717 -3.878 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.501 -1.751 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.820 -2.525 7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.805 -1.138 6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.064 -2.059 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.430 -1.458 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.524 -3.057 4.090 1.00 0.00 H new ATOM 1071 N ILE A 71 8.012 -4.979 8.661 1.00 0.00 N ATOM 1072 CA ILE A 71 9.022 -5.168 9.694 1.00 0.00 C ATOM 1073 C ILE A 71 10.020 -6.250 9.295 1.00 0.00 C ATOM 1074 O ILE A 71 11.231 -6.071 9.426 1.00 0.00 O ATOM 1075 CB ILE A 71 8.384 -5.547 11.043 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.416 -4.453 11.499 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.462 -5.778 12.092 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.465 -4.903 12.586 1.00 0.00 C ATOM 0 H ILE A 71 7.051 -4.998 9.002 1.00 0.00 H new ATOM 0 HA ILE A 71 9.544 -4.217 9.803 1.00 0.00 H new ATOM 0 HB ILE A 71 7.823 -6.473 10.916 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.989 -3.599 11.860 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.838 -4.110 10.641 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.996 -6.045 13.040 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.117 -6.587 11.769 1.00 0.00 H new ATOM 0 HG23 ILE A 71 10.047 -4.867 12.219 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.809 -4.077 12.860 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.866 -5.738 12.222 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.035 -5.219 13.460 1.00 0.00 H new ATOM 1090 N SER A 72 9.504 -7.373 8.805 1.00 0.00 N ATOM 1091 CA SER A 72 10.349 -8.485 8.388 1.00 0.00 C ATOM 1092 C SER A 72 11.415 -8.017 7.402 1.00 0.00 C ATOM 1093 O SER A 72 12.575 -8.423 7.486 1.00 0.00 O ATOM 1094 CB SER A 72 9.500 -9.588 7.753 1.00 0.00 C ATOM 1095 OG SER A 72 8.991 -9.180 6.495 1.00 0.00 O ATOM 0 H SER A 72 8.504 -7.536 8.687 1.00 0.00 H new ATOM 0 HA SER A 72 10.846 -8.883 9.273 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.101 -10.489 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.674 -9.844 8.417 1.00 0.00 H new ATOM 0 HG SER A 72 8.800 -8.219 6.515 1.00 0.00 H new ATOM 1101 N HIS A 73 11.014 -7.161 6.468 1.00 0.00 N ATOM 1102 CA HIS A 73 11.935 -6.636 5.466 1.00 0.00 C ATOM 1103 C HIS A 73 12.585 -5.343 5.949 1.00 0.00 C ATOM 1104 O HIS A 73 13.328 -4.698 5.210 1.00 0.00 O ATOM 1105 CB HIS A 73 11.200 -6.390 4.147 1.00 0.00 C ATOM 1106 CG HIS A 73 11.098 -7.609 3.282 1.00 0.00 C ATOM 1107 ND1 HIS A 73 9.952 -7.950 2.596 1.00 0.00 N ATOM 1108 CD2 HIS A 73 12.008 -8.567 2.992 1.00 0.00 C ATOM 1109 CE1 HIS A 73 10.161 -9.068 1.923 1.00 0.00 C ATOM 1110 NE2 HIS A 73 11.401 -9.463 2.146 1.00 0.00 N ATOM 0 H HIS A 73 10.058 -6.816 6.384 1.00 0.00 H new ATOM 0 HA HIS A 73 12.718 -7.377 5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.197 -6.023 4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.715 -5.604 3.594 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.079 -7.422 2.606 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.023 -8.618 3.358 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.440 -9.573 1.297 1.00 0.00 H new ATOM 1118 N SER A 74 12.298 -4.971 7.192 1.00 0.00 N ATOM 1119 CA SER A 74 12.851 -3.753 7.772 1.00 0.00 C ATOM 1120 C SER A 74 12.357 -2.520 7.020 1.00 0.00 C ATOM 1121 O SER A 74 13.132 -1.617 6.707 1.00 0.00 O ATOM 1122 CB SER A 74 14.380 -3.799 7.748 1.00 0.00 C ATOM 1123 OG SER A 74 14.932 -2.950 8.739 1.00 0.00 O ATOM 0 H SER A 74 11.686 -5.496 7.817 1.00 0.00 H new ATOM 0 HA SER A 74 12.513 -3.687 8.806 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.719 -4.822 7.912 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.741 -3.497 6.765 1.00 0.00 H new ATOM 0 HG SER A 74 15.910 -2.999 8.704 1.00 0.00 H new ATOM 1129 N PHE A 75 11.059 -2.491 6.733 1.00 0.00 N ATOM 1130 CA PHE A 75 10.460 -1.371 6.017 1.00 0.00 C ATOM 1131 C PHE A 75 9.888 -0.346 6.992 1.00 0.00 C ATOM 1132 O PHE A 75 9.080 -0.680 7.858 1.00 0.00 O ATOM 1133 CB PHE A 75 9.358 -1.869 5.079 1.00 0.00 C ATOM 1134 CG PHE A 75 9.877 -2.393 3.771 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.636 -1.586 2.938 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.606 -3.692 3.374 1.00 0.00 C ATOM 1137 CE1 PHE A 75 11.114 -2.066 1.733 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.082 -4.178 2.170 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.837 -3.364 1.349 1.00 0.00 C ATOM 0 H PHE A 75 10.403 -3.230 6.985 1.00 0.00 H new ATOM 0 HA PHE A 75 11.240 -0.890 5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.795 -2.657 5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.662 -1.053 4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.856 -0.571 3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.016 -4.333 4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.703 -1.427 1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.864 -5.193 1.872 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.210 -3.741 0.408 1.00 0.00 H new ATOM 1149 N ARG A 76 10.315 0.905 6.844 1.00 0.00 N ATOM 1150 CA ARG A 76 9.848 1.979 7.712 1.00 0.00 C ATOM 1151 C ARG A 76 8.498 2.511 7.240 1.00 0.00 C ATOM 1152 O ARG A 76 8.319 2.822 6.062 1.00 0.00 O ATOM 1153 CB ARG A 76 10.871 3.115 7.748 1.00 0.00 C ATOM 1154 CG ARG A 76 10.789 3.969 9.003 1.00 0.00 C ATOM 1155 CD ARG A 76 11.803 5.102 8.973 1.00 0.00 C ATOM 1156 NE ARG A 76 12.132 5.577 10.315 1.00 0.00 N ATOM 1157 CZ ARG A 76 12.864 6.660 10.552 1.00 0.00 C ATOM 1158 NH1 ARG A 76 13.341 7.376 9.543 1.00 0.00 N ATOM 1159 NH2 ARG A 76 13.121 7.028 11.800 1.00 0.00 N ATOM 0 H ARG A 76 10.983 1.199 6.131 1.00 0.00 H new ATOM 0 HA ARG A 76 9.729 1.574 8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.873 2.693 7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.725 3.752 6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.784 4.381 9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.964 3.346 9.880 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.712 4.762 8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.406 5.928 8.383 1.00 0.00 H new ATOM 0 HE ARG A 76 11.781 5.048 11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.146 7.096 8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.903 8.207 9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.757 6.479 12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.683 7.860 11.981 1.00 0.00 H new ATOM 1173 N PHE A 77 7.550 2.612 8.166 1.00 0.00 N ATOM 1174 CA PHE A 77 6.216 3.104 7.845 1.00 0.00 C ATOM 1175 C PHE A 77 5.654 3.939 8.992 1.00 0.00 C ATOM 1176 O PHE A 77 6.228 3.985 10.080 1.00 0.00 O ATOM 1177 CB PHE A 77 5.277 1.935 7.542 1.00 0.00 C ATOM 1178 CG PHE A 77 5.193 0.930 8.655 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.317 0.230 9.061 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.989 0.685 9.296 1.00 0.00 C ATOM 1181 CE1 PHE A 77 6.244 -0.695 10.085 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.909 -0.239 10.321 1.00 0.00 C ATOM 1183 CZ PHE A 77 5.037 -0.931 10.715 1.00 0.00 C ATOM 0 H PHE A 77 7.681 2.359 9.145 1.00 0.00 H new ATOM 0 HA PHE A 77 6.292 3.737 6.961 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.279 2.324 7.338 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.615 1.434 6.635 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.263 0.409 8.571 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.103 1.222 8.991 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.129 -1.233 10.392 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.965 -0.420 10.813 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.976 -1.655 11.514 1.00 0.00 H new ATOM 1193 N SER A 78 4.528 4.598 8.739 1.00 0.00 N ATOM 1194 CA SER A 78 3.889 5.435 9.748 1.00 0.00 C ATOM 1195 C SER A 78 2.386 5.530 9.504 1.00 0.00 C ATOM 1196 O SER A 78 1.910 5.274 8.399 1.00 0.00 O ATOM 1197 CB SER A 78 4.507 6.835 9.745 1.00 0.00 C ATOM 1198 OG SER A 78 5.733 6.853 10.456 1.00 0.00 O ATOM 0 H SER A 78 4.039 4.569 7.844 1.00 0.00 H new ATOM 0 HA SER A 78 4.052 4.975 10.722 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.674 7.160 8.718 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.812 7.544 10.195 1.00 0.00 H new ATOM 0 HG SER A 78 6.060 5.936 10.568 1.00 0.00 H new ATOM 1204 N GLU A 79 1.646 5.900 10.545 1.00 0.00 N ATOM 1205 CA GLU A 79 0.197 6.027 10.443 1.00 0.00 C ATOM 1206 C GLU A 79 -0.233 7.484 10.590 1.00 0.00 C ATOM 1207 O GLU A 79 -0.142 8.062 11.673 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.489 5.172 11.511 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.884 4.715 11.121 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.355 3.522 11.930 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -2.545 3.674 13.155 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -2.533 2.436 11.340 1.00 0.00 O ATOM 0 H GLU A 79 2.025 6.117 11.467 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.104 5.674 9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.127 4.296 11.715 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.549 5.742 12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.584 5.540 11.256 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.895 4.458 10.062 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.700 8.070 9.493 1.00 0.00 N ATOM 1220 CA ILE A 80 -1.144 9.459 9.500 1.00 0.00 C ATOM 1221 C ILE A 80 -2.653 9.552 9.694 1.00 0.00 C ATOM 1222 O ILE A 80 -3.155 10.497 10.304 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.760 10.178 8.193 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -1.125 9.316 6.984 1.00 0.00 C ATOM 1225 CG2 ILE A 80 0.725 10.508 8.187 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -1.053 10.058 5.668 1.00 0.00 C ATOM 0 H ILE A 80 -0.781 7.605 8.589 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.642 9.948 10.335 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.320 11.111 8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.455 8.457 6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.134 8.927 7.117 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.981 11.016 7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.957 11.158 9.031 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.303 9.587 8.269 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.325 9.384 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.744 10.901 5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.038 10.424 5.512 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.374 8.565 9.172 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.827 8.533 9.290 1.00 0.00 C ATOM 1240 C LYS A 81 -5.318 7.117 9.574 1.00 0.00 C ATOM 1241 O LYS A 81 -4.641 6.130 9.286 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.475 9.061 8.008 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.600 8.906 6.776 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.435 8.746 5.516 1.00 0.00 C ATOM 1245 CE LYS A 81 -5.974 10.083 5.032 1.00 0.00 C ATOM 1246 NZ LYS A 81 -6.440 10.015 3.619 1.00 0.00 N ATOM 0 H LYS A 81 -2.975 7.776 8.663 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.113 9.173 10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.416 8.536 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.717 10.115 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.953 9.777 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.951 8.039 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.829 8.291 4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.265 8.067 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.799 10.395 5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.197 10.842 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.800 10.946 3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.647 9.742 3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.199 9.309 3.538 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.525 7.013 10.151 1.00 0.00 N ATOM 1261 CA PRO A 82 -7.134 5.722 10.484 1.00 0.00 C ATOM 1262 C PRO A 82 -7.551 4.940 9.243 1.00 0.00 C ATOM 1263 O PRO A 82 -8.703 5.005 8.815 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.363 6.112 11.309 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.698 7.493 10.860 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.387 8.147 10.522 1.00 0.00 C ATOM 0 HA PRO A 82 -6.440 5.068 11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.192 5.426 11.133 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.148 6.084 12.377 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.359 7.472 9.993 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.218 8.043 11.644 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.492 8.857 9.702 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.982 8.698 11.371 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.607 4.201 8.669 1.00 0.00 N ATOM 1275 CA GLY A 83 -6.897 3.417 7.483 1.00 0.00 C ATOM 1276 C GLY A 83 -5.859 3.605 6.395 1.00 0.00 C ATOM 1277 O GLY A 83 -6.020 3.107 5.280 1.00 0.00 O ATOM 0 H GLY A 83 -5.646 4.131 9.004 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.949 2.362 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.878 3.696 7.097 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.791 4.327 6.717 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.723 4.583 5.758 1.00 0.00 C ATOM 1283 C CYS A 84 -2.368 4.187 6.335 1.00 0.00 C ATOM 1284 O CYS A 84 -2.160 4.234 7.548 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.709 6.059 5.359 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.221 6.356 3.644 1.00 0.00 S ATOM 0 H CYS A 84 -4.642 4.745 7.635 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.912 3.977 4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.703 6.477 5.520 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.026 6.596 6.018 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.942 5.223 3.070 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.449 3.796 5.459 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.113 3.390 5.881 1.00 0.00 C ATOM 1294 C LEU A 85 0.947 3.925 4.924 1.00 0.00 C ATOM 1295 O LEU A 85 1.054 3.473 3.783 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.023 1.865 5.960 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.593 1.223 7.225 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.480 -0.292 7.153 1.00 0.00 C ATOM 1299 CD2 LEU A 85 0.119 1.755 8.461 1.00 0.00 C ATOM 0 H LEU A 85 -1.605 3.752 4.452 1.00 0.00 H new ATOM 0 HA LEU A 85 0.072 3.810 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.542 1.445 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.025 1.578 5.872 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.649 1.485 7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.891 -0.731 8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.036 -0.658 6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.568 -0.574 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.300 1.287 9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.182 1.524 8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.015 2.835 8.521 1.00 0.00 H new ATOM 1311 N LYS A 86 1.731 4.888 5.395 1.00 0.00 N ATOM 1312 CA LYS A 86 2.786 5.483 4.583 1.00 0.00 C ATOM 1313 C LYS A 86 4.116 4.773 4.814 1.00 0.00 C ATOM 1314 O LYS A 86 4.575 4.647 5.949 1.00 0.00 O ATOM 1315 CB LYS A 86 2.928 6.972 4.906 1.00 0.00 C ATOM 1316 CG LYS A 86 4.066 7.650 4.163 1.00 0.00 C ATOM 1317 CD LYS A 86 4.495 8.935 4.851 1.00 0.00 C ATOM 1318 CE LYS A 86 3.715 10.133 4.331 1.00 0.00 C ATOM 1319 NZ LYS A 86 3.594 11.204 5.358 1.00 0.00 N ATOM 0 H LYS A 86 1.656 5.274 6.336 1.00 0.00 H new ATOM 0 HA LYS A 86 2.511 5.369 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.994 7.479 4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.085 7.089 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.915 6.970 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.755 7.870 3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.345 8.841 5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.561 9.096 4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.210 10.533 3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.720 9.812 4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.056 12.003 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.099 10.830 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.543 11.528 5.635 1.00 0.00 H new ATOM 1333 N VAL A 87 4.732 4.313 3.729 1.00 0.00 N ATOM 1334 CA VAL A 87 6.011 3.619 3.814 1.00 0.00 C ATOM 1335 C VAL A 87 7.119 4.424 3.145 1.00 0.00 C ATOM 1336 O VAL A 87 6.939 4.956 2.050 1.00 0.00 O ATOM 1337 CB VAL A 87 5.938 2.226 3.160 1.00 0.00 C ATOM 1338 CG1 VAL A 87 7.271 1.505 3.287 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.817 1.405 3.781 1.00 0.00 C ATOM 0 H VAL A 87 4.366 4.409 2.782 1.00 0.00 H new ATOM 0 HA VAL A 87 6.239 3.504 4.874 1.00 0.00 H new ATOM 0 HB VAL A 87 5.721 2.353 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.200 0.523 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.048 2.087 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.522 1.387 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.779 0.424 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.002 1.286 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.866 1.916 3.632 1.00 0.00 H new ATOM 1349 N MET A 88 8.266 4.509 3.810 1.00 0.00 N ATOM 1350 CA MET A 88 9.405 5.248 3.279 1.00 0.00 C ATOM 1351 C MET A 88 10.305 4.338 2.449 1.00 0.00 C ATOM 1352 O MET A 88 10.849 3.356 2.956 1.00 0.00 O ATOM 1353 CB MET A 88 10.209 5.878 4.418 1.00 0.00 C ATOM 1354 CG MET A 88 9.437 6.932 5.196 1.00 0.00 C ATOM 1355 SD MET A 88 9.193 8.450 4.254 1.00 0.00 S ATOM 1356 CE MET A 88 10.870 9.077 4.182 1.00 0.00 C ATOM 0 H MET A 88 8.431 4.075 4.718 1.00 0.00 H new ATOM 0 HA MET A 88 9.023 6.039 2.633 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.528 5.093 5.104 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.112 6.330 4.008 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.467 6.528 5.484 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.972 7.163 6.117 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.850 10.144 3.960 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.361 8.915 5.142 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.421 8.554 3.400 1.00 0.00 H new ATOM 1366 N LEU A 89 10.458 4.669 1.172 1.00 0.00 N ATOM 1367 CA LEU A 89 11.293 3.881 0.271 1.00 0.00 C ATOM 1368 C LEU A 89 12.772 4.089 0.578 1.00 0.00 C ATOM 1369 O LEU A 89 13.313 5.176 0.374 1.00 0.00 O ATOM 1370 CB LEU A 89 11.004 4.257 -1.183 1.00 0.00 C ATOM 1371 CG LEU A 89 9.539 4.193 -1.615 1.00 0.00 C ATOM 1372 CD1 LEU A 89 9.390 4.629 -3.064 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.986 2.789 -1.419 1.00 0.00 C ATOM 0 H LEU A 89 10.015 5.478 0.736 1.00 0.00 H new ATOM 0 HA LEU A 89 11.055 2.828 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.368 5.270 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.582 3.597 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 89 8.966 4.878 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.340 4.577 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.746 5.653 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.976 3.970 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.942 2.762 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.562 2.084 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.057 2.514 -0.367 1.00 0.00 H new