USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 962 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: B 94 SER OG : rot 150:sc=0.000409 USER MOD Set 1.2: B 100 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.013) USER MOD Set 2.1: B 62 SER OG : rot -89:sc= 2.19 USER MOD Set 2.2: B 64 LYS NZ :NH3+ -155:sc= 1.07 (180deg=-0.0441) USER MOD Set 3.1: B 53 HIS : no HE2:sc= 0.204 K(o=-1.4,f=-3.4) USER MOD Set 3.2: B 56 GLN : amide:sc= -1.59! X(o=-1.4!,f=-1.1) USER MOD Set 4.1: B 24 ASN : amide:sc= 0.354 X(o=-0.016,f=-0.17) USER MOD Set 4.2: B 30 GLN : amide:sc= -0.37 X(o=-0.016,f=-0.17) USER MOD Single : B 10 SER OG : rot -90:sc= -0.393 USER MOD Single : B 16 HIS : no HE2:sc= 0.0349 K(o=0.035,f=-6!) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 25 LYS NZ :NH3+ -159:sc= -0.118 (180deg=-0.558) USER MOD Single : B 39 HIS :FLIP no HE2:sc= 0.0706 F(o=-1.2,f=0.071) USER MOD Single : B 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 42 THR OG1 : rot -160:sc= 0.934 USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -3.35 K(o=-3.4,f=-7.4!) USER MOD Single : B 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 57 MET CE :methyl 137:sc= -0.183 (180deg=-0.781) USER MOD Single : B 77 THR OG1 : rot -110:sc= -0.697 USER MOD Single : B 80 GLN : amide:sc= 1 K(o=1,f=-6.8!) USER MOD Single : B 85 GLN :FLIP amide:sc= -0.104 F(o=-2.9!,f=-0.1) USER MOD Single : B 102 MET CE :methyl -167:sc= -1.17 (180deg=-1.6) USER MOD Single : B 103 LYS NZ :NH3+ -165:sc= -0.0248 (180deg=-0.287) USER MOD Single : B 104 ASN : amide:sc= -0.189 K(o=-0.19,f=-1) USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 SER OG : rot 178:sc= -0.304 USER MOD Single : B 117 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.19) USER MOD Single : B 131 TYR OH : rot 180:sc= -0.779 USER MOD ----------------------------------------------------------------- ATOM 126 N TRP B 9 -21.061 8.650 5.694 1.00 0.00 N ATOM 127 CA TRP B 9 -21.176 7.377 6.390 1.00 0.00 C ATOM 128 C TRP B 9 -21.269 7.591 7.895 1.00 0.00 C ATOM 129 O TRP B 9 -20.378 8.188 8.502 1.00 0.00 O ATOM 130 CB TRP B 9 -19.979 6.481 6.071 1.00 0.00 C ATOM 131 CG TRP B 9 -19.892 6.067 4.632 1.00 0.00 C ATOM 132 CD1 TRP B 9 -19.444 6.821 3.586 1.00 0.00 C ATOM 133 CD2 TRP B 9 -20.252 4.795 4.083 1.00 0.00 C ATOM 134 NE1 TRP B 9 -19.503 6.095 2.420 1.00 0.00 N ATOM 135 CE2 TRP B 9 -20.000 4.849 2.699 1.00 0.00 C ATOM 136 CE3 TRP B 9 -20.768 3.616 4.627 1.00 0.00 C ATOM 137 CZ2 TRP B 9 -20.239 3.771 1.856 1.00 0.00 C ATOM 138 CZ3 TRP B 9 -21.006 2.544 3.787 1.00 0.00 C ATOM 139 CH2 TRP B 9 -20.742 2.630 2.414 1.00 0.00 C ATOM 0 HA TRP B 9 -22.088 6.888 6.047 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -19.063 7.005 6.343 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -20.031 5.587 6.693 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -19.094 7.840 3.663 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -19.223 6.429 1.498 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -20.977 3.543 5.684 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -20.034 3.833 0.797 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -21.402 1.626 4.196 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -20.940 1.776 1.783 1.00 0.00 H new ATOM 150 N SER B 10 -22.358 7.127 8.484 1.00 0.00 N ATOM 151 CA SER B 10 -22.531 7.191 9.922 1.00 0.00 C ATOM 152 C SER B 10 -21.744 6.060 10.579 1.00 0.00 C ATOM 153 O SER B 10 -21.418 5.074 9.917 1.00 0.00 O ATOM 154 CB SER B 10 -24.022 7.086 10.268 1.00 0.00 C ATOM 155 OG SER B 10 -24.603 5.940 9.672 1.00 0.00 O ATOM 0 H SER B 10 -23.138 6.700 7.984 1.00 0.00 H new ATOM 0 HA SER B 10 -22.155 8.143 10.297 1.00 0.00 H new ATOM 0 HB2 SER B 10 -24.145 7.039 11.350 1.00 0.00 H new ATOM 0 HB3 SER B 10 -24.542 7.981 9.926 1.00 0.00 H new ATOM 0 HG SER B 10 -24.948 6.172 8.785 1.00 0.00 H new ATOM 161 N PRO B 11 -21.409 6.186 11.875 1.00 0.00 N ATOM 162 CA PRO B 11 -20.701 5.135 12.618 1.00 0.00 C ATOM 163 C PRO B 11 -21.377 3.774 12.474 1.00 0.00 C ATOM 164 O PRO B 11 -20.720 2.735 12.424 1.00 0.00 O ATOM 165 CB PRO B 11 -20.766 5.608 14.078 1.00 0.00 C ATOM 166 CG PRO B 11 -21.715 6.763 14.091 1.00 0.00 C ATOM 167 CD PRO B 11 -21.659 7.361 12.718 1.00 0.00 C ATOM 0 HA PRO B 11 -19.684 4.996 12.250 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -21.114 4.809 14.733 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -19.781 5.907 14.436 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -22.726 6.434 14.332 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -21.429 7.494 14.847 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -22.591 7.860 12.454 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -20.864 8.102 12.629 1.00 0.00 H new ATOM 175 N GLU B 12 -22.699 3.801 12.389 1.00 0.00 N ATOM 176 CA GLU B 12 -23.492 2.591 12.251 1.00 0.00 C ATOM 177 C GLU B 12 -23.384 2.036 10.831 1.00 0.00 C ATOM 178 O GLU B 12 -23.441 0.824 10.617 1.00 0.00 O ATOM 179 CB GLU B 12 -24.948 2.899 12.593 1.00 0.00 C ATOM 180 CG GLU B 12 -25.119 3.496 13.981 1.00 0.00 C ATOM 181 CD GLU B 12 -26.537 3.946 14.253 1.00 0.00 C ATOM 182 OE1 GLU B 12 -27.413 3.080 14.441 1.00 0.00 O ATOM 183 OE2 GLU B 12 -26.779 5.168 14.294 1.00 0.00 O ATOM 0 H GLU B 12 -23.249 4.659 12.414 1.00 0.00 H new ATOM 0 HA GLU B 12 -23.112 1.835 12.938 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -25.350 3.591 11.854 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -25.534 1.982 12.523 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -24.827 2.758 14.728 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -24.445 4.345 14.092 1.00 0.00 H new ATOM 190 N GLU B 13 -23.212 2.930 9.867 1.00 0.00 N ATOM 191 CA GLU B 13 -23.108 2.534 8.471 1.00 0.00 C ATOM 192 C GLU B 13 -21.711 2.003 8.173 1.00 0.00 C ATOM 193 O GLU B 13 -21.546 1.069 7.394 1.00 0.00 O ATOM 194 CB GLU B 13 -23.429 3.713 7.555 1.00 0.00 C ATOM 195 CG GLU B 13 -23.866 3.288 6.165 1.00 0.00 C ATOM 196 CD GLU B 13 -25.113 2.431 6.202 1.00 0.00 C ATOM 197 OE1 GLU B 13 -24.999 1.194 6.094 1.00 0.00 O ATOM 198 OE2 GLU B 13 -26.220 2.991 6.357 1.00 0.00 O ATOM 0 H GLU B 13 -23.142 3.935 10.027 1.00 0.00 H new ATOM 0 HA GLU B 13 -23.832 1.741 8.284 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -24.217 4.313 8.009 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -22.549 4.351 7.473 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -24.052 4.173 5.557 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -23.059 2.734 5.684 1.00 0.00 H new ATOM 205 N GLU B 14 -20.704 2.597 8.805 1.00 0.00 N ATOM 206 CA GLU B 14 -19.327 2.142 8.644 1.00 0.00 C ATOM 207 C GLU B 14 -19.163 0.731 9.202 1.00 0.00 C ATOM 208 O GLU B 14 -18.446 -0.096 8.634 1.00 0.00 O ATOM 209 CB GLU B 14 -18.357 3.101 9.335 1.00 0.00 C ATOM 210 CG GLU B 14 -18.444 4.528 8.815 1.00 0.00 C ATOM 211 CD GLU B 14 -17.441 5.458 9.465 1.00 0.00 C ATOM 212 OE1 GLU B 14 -16.306 5.561 8.955 1.00 0.00 O ATOM 213 OE2 GLU B 14 -17.780 6.099 10.480 1.00 0.00 O ATOM 0 H GLU B 14 -20.815 3.393 9.433 1.00 0.00 H new ATOM 0 HA GLU B 14 -19.095 2.125 7.579 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -18.558 3.100 10.406 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -17.339 2.735 9.201 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -18.284 4.526 7.737 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -19.450 4.911 8.987 1.00 0.00 H new ATOM 220 N ALA B 15 -19.844 0.455 10.307 1.00 0.00 N ATOM 221 CA ALA B 15 -19.844 -0.881 10.888 1.00 0.00 C ATOM 222 C ALA B 15 -20.574 -1.862 9.973 1.00 0.00 C ATOM 223 O ALA B 15 -20.234 -3.034 9.905 1.00 0.00 O ATOM 224 CB ALA B 15 -20.480 -0.856 12.265 1.00 0.00 C ATOM 0 H ALA B 15 -20.403 1.138 10.818 1.00 0.00 H new ATOM 0 HA ALA B 15 -18.812 -1.216 10.992 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -20.473 -1.861 12.687 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -19.916 -0.186 12.914 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -21.508 -0.503 12.185 1.00 0.00 H new ATOM 230 N HIS B 16 -21.572 -1.354 9.269 1.00 0.00 N ATOM 231 CA HIS B 16 -22.324 -2.123 8.288 1.00 0.00 C ATOM 232 C HIS B 16 -21.495 -2.322 7.020 1.00 0.00 C ATOM 233 O HIS B 16 -21.677 -3.297 6.289 1.00 0.00 O ATOM 234 CB HIS B 16 -23.640 -1.405 7.963 1.00 0.00 C ATOM 235 CG HIS B 16 -24.486 -2.089 6.930 1.00 0.00 C ATOM 236 ND1 HIS B 16 -25.155 -1.401 5.948 1.00 0.00 N ATOM 237 CD2 HIS B 16 -24.785 -3.398 6.739 1.00 0.00 C ATOM 238 CE1 HIS B 16 -25.829 -2.250 5.196 1.00 0.00 C ATOM 239 NE2 HIS B 16 -25.625 -3.473 5.655 1.00 0.00 N ATOM 0 H HIS B 16 -21.887 -0.388 9.362 1.00 0.00 H new ATOM 0 HA HIS B 16 -22.552 -3.104 8.705 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -24.220 -1.305 8.880 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -23.413 -0.396 7.618 1.00 0.00 H new ATOM 0 HD1 HIS B 16 -25.134 -0.389 5.820 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -24.428 -4.228 7.330 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -26.444 -1.990 4.348 1.00 0.00 H new ATOM 248 N LEU B 17 -20.581 -1.396 6.773 1.00 0.00 N ATOM 249 CA LEU B 17 -19.692 -1.490 5.631 1.00 0.00 C ATOM 250 C LEU B 17 -18.742 -2.663 5.825 1.00 0.00 C ATOM 251 O LEU B 17 -18.569 -3.491 4.930 1.00 0.00 O ATOM 252 CB LEU B 17 -18.919 -0.180 5.457 1.00 0.00 C ATOM 253 CG LEU B 17 -18.051 -0.082 4.201 1.00 0.00 C ATOM 254 CD1 LEU B 17 -18.880 -0.325 2.954 1.00 0.00 C ATOM 255 CD2 LEU B 17 -17.388 1.278 4.131 1.00 0.00 C ATOM 0 H LEU B 17 -20.437 -0.569 7.352 1.00 0.00 H new ATOM 0 HA LEU B 17 -20.275 -1.659 4.726 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -19.633 0.643 5.447 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -18.281 -0.038 6.329 1.00 0.00 H new ATOM 0 HG LEU B 17 -17.280 -0.850 4.255 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -18.242 -0.250 2.073 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -19.322 -1.320 2.999 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -19.672 0.421 2.893 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -16.773 1.337 3.233 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -18.153 2.054 4.099 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -16.761 1.423 5.011 1.00 0.00 H new ATOM 267 N ARG B 18 -18.152 -2.752 7.012 1.00 0.00 N ATOM 268 CA ARG B 18 -17.316 -3.888 7.345 1.00 0.00 C ATOM 269 C ARG B 18 -18.191 -5.107 7.583 1.00 0.00 C ATOM 270 O ARG B 18 -17.782 -6.223 7.303 1.00 0.00 O ATOM 271 CB ARG B 18 -16.435 -3.601 8.566 1.00 0.00 C ATOM 272 CG ARG B 18 -17.200 -3.381 9.860 1.00 0.00 C ATOM 273 CD ARG B 18 -16.260 -3.075 11.015 1.00 0.00 C ATOM 274 NE ARG B 18 -16.975 -2.841 12.269 1.00 0.00 N ATOM 275 CZ ARG B 18 -16.471 -2.142 13.288 1.00 0.00 C ATOM 276 NH1 ARG B 18 -15.246 -1.636 13.210 1.00 0.00 N ATOM 277 NH2 ARG B 18 -17.188 -1.959 14.391 1.00 0.00 N ATOM 0 H ARG B 18 -18.239 -2.055 7.751 1.00 0.00 H new ATOM 0 HA ARG B 18 -16.647 -4.083 6.507 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -15.746 -4.434 8.704 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -15.831 -2.717 8.362 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -17.903 -2.558 9.733 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.788 -4.269 10.093 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -15.566 -3.906 11.145 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -15.663 -2.196 10.771 1.00 0.00 H new ATOM 0 HE ARG B 18 -17.911 -3.234 12.370 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -14.687 -1.781 12.369 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -14.864 -1.102 13.991 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -18.126 -2.353 14.461 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -16.800 -1.424 15.168 1.00 0.00 H new ATOM 291 N GLU B 19 -19.411 -4.870 8.070 1.00 0.00 N ATOM 292 CA GLU B 19 -20.384 -5.935 8.294 1.00 0.00 C ATOM 293 C GLU B 19 -20.488 -6.831 7.064 1.00 0.00 C ATOM 294 O GLU B 19 -20.354 -8.053 7.141 1.00 0.00 O ATOM 295 CB GLU B 19 -21.759 -5.342 8.607 1.00 0.00 C ATOM 296 CG GLU B 19 -22.883 -6.363 8.707 1.00 0.00 C ATOM 297 CD GLU B 19 -22.652 -7.387 9.798 1.00 0.00 C ATOM 298 OE1 GLU B 19 -22.161 -8.492 9.492 1.00 0.00 O ATOM 299 OE2 GLU B 19 -22.961 -7.092 10.970 1.00 0.00 O ATOM 0 H GLU B 19 -19.748 -3.940 8.318 1.00 0.00 H new ATOM 0 HA GLU B 19 -20.046 -6.530 9.142 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -21.698 -4.795 9.548 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -22.012 -4.618 7.833 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -23.823 -5.844 8.895 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -22.988 -6.875 7.751 1.00 0.00 H new ATOM 306 N LEU B 20 -20.701 -6.196 5.925 1.00 0.00 N ATOM 307 CA LEU B 20 -20.887 -6.903 4.675 1.00 0.00 C ATOM 308 C LEU B 20 -19.567 -7.476 4.162 1.00 0.00 C ATOM 309 O LEU B 20 -19.553 -8.504 3.480 1.00 0.00 O ATOM 310 CB LEU B 20 -21.503 -5.956 3.651 1.00 0.00 C ATOM 311 CG LEU B 20 -22.843 -6.406 3.076 1.00 0.00 C ATOM 312 CD1 LEU B 20 -23.557 -5.236 2.418 1.00 0.00 C ATOM 313 CD2 LEU B 20 -22.632 -7.542 2.089 1.00 0.00 C ATOM 0 H LEU B 20 -20.749 -5.180 5.843 1.00 0.00 H new ATOM 0 HA LEU B 20 -21.561 -7.744 4.840 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -21.635 -4.979 4.116 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -20.798 -5.826 2.830 1.00 0.00 H new ATOM 0 HG LEU B 20 -23.473 -6.771 3.888 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -24.511 -5.573 2.013 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -23.733 -4.455 3.157 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -22.940 -4.840 1.611 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -23.594 -7.856 1.684 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -21.990 -7.203 1.276 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -22.161 -8.383 2.598 1.00 0.00 H new ATOM 325 N TYR B 21 -18.461 -6.827 4.507 1.00 0.00 N ATOM 326 CA TYR B 21 -17.148 -7.313 4.106 1.00 0.00 C ATOM 327 C TYR B 21 -16.816 -8.577 4.870 1.00 0.00 C ATOM 328 O TYR B 21 -16.449 -9.587 4.287 1.00 0.00 O ATOM 329 CB TYR B 21 -16.060 -6.262 4.353 1.00 0.00 C ATOM 330 CG TYR B 21 -14.666 -6.740 3.987 1.00 0.00 C ATOM 331 CD1 TYR B 21 -13.803 -7.232 4.958 1.00 0.00 C ATOM 332 CD2 TYR B 21 -14.220 -6.715 2.671 1.00 0.00 C ATOM 333 CE1 TYR B 21 -12.538 -7.685 4.630 1.00 0.00 C ATOM 334 CE2 TYR B 21 -12.955 -7.164 2.335 1.00 0.00 C ATOM 335 CZ TYR B 21 -12.119 -7.649 3.317 1.00 0.00 C ATOM 336 OH TYR B 21 -10.863 -8.108 2.987 1.00 0.00 O ATOM 0 H TYR B 21 -18.447 -5.970 5.059 1.00 0.00 H new ATOM 0 HA TYR B 21 -17.179 -7.523 3.037 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -16.292 -5.367 3.776 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -16.074 -5.976 5.405 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -14.126 -7.261 5.988 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -14.872 -6.338 1.897 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -11.882 -8.065 5.399 1.00 0.00 H new ATOM 0 HE2 TYR B 21 -12.624 -7.134 1.307 1.00 0.00 H new ATOM 0 HH TYR B 21 -10.724 -8.014 2.022 1.00 0.00 H new ATOM 346 N LEU B 22 -16.986 -8.514 6.180 1.00 0.00 N ATOM 347 CA LEU B 22 -16.668 -9.626 7.062 1.00 0.00 C ATOM 348 C LEU B 22 -17.549 -10.829 6.748 1.00 0.00 C ATOM 349 O LEU B 22 -17.216 -11.963 7.085 1.00 0.00 O ATOM 350 CB LEU B 22 -16.852 -9.202 8.520 1.00 0.00 C ATOM 351 CG LEU B 22 -16.163 -7.887 8.906 1.00 0.00 C ATOM 352 CD1 LEU B 22 -16.491 -7.506 10.336 1.00 0.00 C ATOM 353 CD2 LEU B 22 -14.660 -7.972 8.718 1.00 0.00 C ATOM 0 H LEU B 22 -17.348 -7.691 6.662 1.00 0.00 H new ATOM 0 HA LEU B 22 -15.628 -9.912 6.902 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -17.919 -9.109 8.723 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -16.473 -9.996 9.164 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.544 -7.112 8.241 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -15.991 -6.570 10.587 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.569 -7.381 10.441 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -16.149 -8.292 11.009 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -14.204 -7.023 9.001 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -14.259 -8.769 9.345 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -14.436 -8.185 7.673 1.00 0.00 H new ATOM 365 N ALA B 23 -18.671 -10.569 6.089 1.00 0.00 N ATOM 366 CA ALA B 23 -19.599 -11.620 5.707 1.00 0.00 C ATOM 367 C ALA B 23 -19.136 -12.359 4.446 1.00 0.00 C ATOM 368 O ALA B 23 -19.199 -13.585 4.387 1.00 0.00 O ATOM 369 CB ALA B 23 -20.993 -11.039 5.501 1.00 0.00 C ATOM 0 H ALA B 23 -18.960 -9.632 5.807 1.00 0.00 H new ATOM 0 HA ALA B 23 -19.629 -12.347 6.519 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -21.680 -11.835 5.215 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -21.336 -10.579 6.428 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -20.961 -10.287 4.713 1.00 0.00 H new ATOM 375 N ASN B 24 -18.663 -11.623 3.441 1.00 0.00 N ATOM 376 CA ASN B 24 -18.337 -12.232 2.153 1.00 0.00 C ATOM 377 C ASN B 24 -16.833 -12.287 1.890 1.00 0.00 C ATOM 378 O ASN B 24 -16.409 -12.726 0.822 1.00 0.00 O ATOM 379 CB ASN B 24 -19.027 -11.471 1.018 1.00 0.00 C ATOM 380 CG ASN B 24 -20.528 -11.700 0.982 1.00 0.00 C ATOM 381 OD1 ASN B 24 -21.010 -12.627 0.329 1.00 0.00 O ATOM 382 ND2 ASN B 24 -21.277 -10.854 1.675 1.00 0.00 N ATOM 0 H ASN B 24 -18.499 -10.618 3.492 1.00 0.00 H new ATOM 0 HA ASN B 24 -18.700 -13.259 2.191 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -18.829 -10.405 1.129 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -18.594 -11.778 0.066 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -22.292 -10.958 1.680 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -20.839 -10.099 2.203 1.00 0.00 H new ATOM 389 N LYS B 25 -16.029 -11.853 2.855 1.00 0.00 N ATOM 390 CA LYS B 25 -14.575 -11.813 2.683 1.00 0.00 C ATOM 391 C LYS B 25 -13.996 -13.205 2.463 1.00 0.00 C ATOM 392 O LYS B 25 -13.052 -13.377 1.698 1.00 0.00 O ATOM 393 CB LYS B 25 -13.899 -11.162 3.894 1.00 0.00 C ATOM 394 CG LYS B 25 -14.273 -11.805 5.221 1.00 0.00 C ATOM 395 CD LYS B 25 -13.484 -11.217 6.381 1.00 0.00 C ATOM 396 CE LYS B 25 -12.044 -11.706 6.394 1.00 0.00 C ATOM 397 NZ LYS B 25 -11.955 -13.188 6.515 1.00 0.00 N ATOM 0 H LYS B 25 -16.355 -11.524 3.764 1.00 0.00 H new ATOM 0 HA LYS B 25 -14.376 -11.213 1.795 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -12.818 -11.214 3.767 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -14.166 -10.106 3.924 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -15.339 -11.669 5.402 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -14.093 -12.879 5.167 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -13.497 -10.129 6.314 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -13.967 -11.485 7.321 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -11.545 -11.387 5.479 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -11.512 -11.243 7.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -11.014 -13.451 6.872 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -12.683 -13.527 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -12.106 -13.622 5.582 1.00 0.00 H new ATOM 411 N ASP B 26 -14.569 -14.192 3.130 1.00 0.00 N ATOM 412 CA ASP B 26 -14.059 -15.552 3.060 1.00 0.00 C ATOM 413 C ASP B 26 -14.791 -16.360 1.997 1.00 0.00 C ATOM 414 O ASP B 26 -14.631 -17.578 1.908 1.00 0.00 O ATOM 415 CB ASP B 26 -14.157 -16.234 4.429 1.00 0.00 C ATOM 416 CG ASP B 26 -15.559 -16.222 5.003 1.00 0.00 C ATOM 417 OD1 ASP B 26 -16.037 -15.134 5.383 1.00 0.00 O ATOM 418 OD2 ASP B 26 -16.176 -17.304 5.105 1.00 0.00 O ATOM 0 H ASP B 26 -15.388 -14.078 3.727 1.00 0.00 H new ATOM 0 HA ASP B 26 -13.008 -15.505 2.774 1.00 0.00 H new ATOM 0 HB2 ASP B 26 -13.817 -17.266 4.339 1.00 0.00 H new ATOM 0 HB3 ASP B 26 -13.482 -15.736 5.125 1.00 0.00 H new ATOM 423 N VAL B 27 -15.583 -15.680 1.179 1.00 0.00 N ATOM 424 CA VAL B 27 -16.217 -16.323 0.043 1.00 0.00 C ATOM 425 C VAL B 27 -15.288 -16.221 -1.160 1.00 0.00 C ATOM 426 O VAL B 27 -15.118 -15.150 -1.742 1.00 0.00 O ATOM 427 CB VAL B 27 -17.582 -15.688 -0.299 1.00 0.00 C ATOM 428 CG1 VAL B 27 -18.246 -16.425 -1.455 1.00 0.00 C ATOM 429 CG2 VAL B 27 -18.489 -15.678 0.922 1.00 0.00 C ATOM 0 H VAL B 27 -15.799 -14.689 1.282 1.00 0.00 H new ATOM 0 HA VAL B 27 -16.401 -17.366 0.302 1.00 0.00 H new ATOM 0 HB VAL B 27 -17.410 -14.657 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -19.206 -15.961 -1.679 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -17.605 -16.375 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -18.403 -17.468 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -19.446 -15.227 0.661 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -18.651 -16.700 1.263 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -18.021 -15.100 1.718 1.00 0.00 H new ATOM 439 N GLU B 28 -14.683 -17.337 -1.521 1.00 0.00 N ATOM 440 CA GLU B 28 -13.676 -17.352 -2.566 1.00 0.00 C ATOM 441 C GLU B 28 -14.320 -17.415 -3.942 1.00 0.00 C ATOM 442 O GLU B 28 -15.294 -18.134 -4.152 1.00 0.00 O ATOM 443 CB GLU B 28 -12.735 -18.540 -2.360 1.00 0.00 C ATOM 444 CG GLU B 28 -12.028 -18.521 -1.014 1.00 0.00 C ATOM 445 CD GLU B 28 -11.003 -17.409 -0.898 1.00 0.00 C ATOM 446 OE1 GLU B 28 -9.794 -17.715 -0.809 1.00 0.00 O ATOM 447 OE2 GLU B 28 -11.392 -16.225 -0.899 1.00 0.00 O ATOM 0 H GLU B 28 -14.872 -18.249 -1.104 1.00 0.00 H new ATOM 0 HA GLU B 28 -13.101 -16.428 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -13.304 -19.465 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -11.989 -18.546 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -12.769 -18.409 -0.222 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -11.535 -19.480 -0.855 1.00 0.00 H new ATOM 454 N GLY B 29 -13.778 -16.646 -4.873 1.00 0.00 N ATOM 455 CA GLY B 29 -14.278 -16.657 -6.232 1.00 0.00 C ATOM 456 C GLY B 29 -15.316 -15.583 -6.491 1.00 0.00 C ATOM 457 O GLY B 29 -15.574 -15.236 -7.643 1.00 0.00 O ATOM 0 H GLY B 29 -12.996 -16.011 -4.711 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -13.444 -16.522 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -14.713 -17.634 -6.445 1.00 0.00 H new ATOM 461 N GLN B 30 -15.908 -15.053 -5.431 1.00 0.00 N ATOM 462 CA GLN B 30 -16.921 -14.015 -5.571 1.00 0.00 C ATOM 463 C GLN B 30 -16.310 -12.634 -5.383 1.00 0.00 C ATOM 464 O GLN B 30 -15.360 -12.464 -4.619 1.00 0.00 O ATOM 465 CB GLN B 30 -18.050 -14.206 -4.551 1.00 0.00 C ATOM 466 CG GLN B 30 -19.074 -13.077 -4.582 1.00 0.00 C ATOM 467 CD GLN B 30 -20.042 -13.105 -3.430 1.00 0.00 C ATOM 468 OE1 GLN B 30 -21.091 -13.743 -3.487 1.00 0.00 O ATOM 469 NE2 GLN B 30 -19.706 -12.374 -2.396 1.00 0.00 N ATOM 0 H GLN B 30 -15.706 -15.322 -4.468 1.00 0.00 H new ATOM 0 HA GLN B 30 -17.331 -14.095 -6.578 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -18.554 -15.152 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -17.622 -14.274 -3.551 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -18.549 -12.122 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -19.633 -13.131 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -18.823 -11.863 -2.398 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -20.327 -12.316 -1.589 1.00 0.00 H new ATOM 478 N ASP B 31 -16.858 -11.656 -6.096 1.00 0.00 N ATOM 479 CA ASP B 31 -16.549 -10.257 -5.845 1.00 0.00 C ATOM 480 C ASP B 31 -17.012 -9.880 -4.451 1.00 0.00 C ATOM 481 O ASP B 31 -18.203 -9.649 -4.231 1.00 0.00 O ATOM 482 CB ASP B 31 -17.255 -9.347 -6.849 1.00 0.00 C ATOM 483 CG ASP B 31 -16.592 -9.330 -8.211 1.00 0.00 C ATOM 484 OD1 ASP B 31 -16.911 -10.204 -9.050 1.00 0.00 O ATOM 485 OD2 ASP B 31 -15.748 -8.436 -8.450 1.00 0.00 O ATOM 0 H ASP B 31 -17.521 -11.810 -6.855 1.00 0.00 H new ATOM 0 HA ASP B 31 -15.471 -10.128 -5.944 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -18.289 -9.673 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -17.282 -8.332 -6.453 1.00 0.00 H new ATOM 490 N VAL B 32 -16.087 -9.843 -3.503 1.00 0.00 N ATOM 491 CA VAL B 32 -16.428 -9.470 -2.142 1.00 0.00 C ATOM 492 C VAL B 32 -17.008 -8.064 -2.112 1.00 0.00 C ATOM 493 O VAL B 32 -17.947 -7.785 -1.372 1.00 0.00 O ATOM 494 CB VAL B 32 -15.213 -9.535 -1.187 1.00 0.00 C ATOM 495 CG1 VAL B 32 -14.185 -8.466 -1.530 1.00 0.00 C ATOM 496 CG2 VAL B 32 -15.670 -9.396 0.259 1.00 0.00 C ATOM 0 H VAL B 32 -15.103 -10.065 -3.651 1.00 0.00 H new ATOM 0 HA VAL B 32 -17.167 -10.193 -1.795 1.00 0.00 H new ATOM 0 HB VAL B 32 -14.736 -10.507 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -13.343 -8.537 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -13.833 -8.614 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -14.642 -7.480 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -14.805 -9.444 0.920 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -16.175 -8.439 0.391 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -16.358 -10.206 0.503 1.00 0.00 H new ATOM 506 N VAL B 33 -16.473 -7.191 -2.956 1.00 0.00 N ATOM 507 CA VAL B 33 -16.858 -5.802 -2.928 1.00 0.00 C ATOM 508 C VAL B 33 -18.250 -5.606 -3.504 1.00 0.00 C ATOM 509 O VAL B 33 -19.026 -4.821 -2.976 1.00 0.00 O ATOM 510 CB VAL B 33 -15.842 -4.907 -3.660 1.00 0.00 C ATOM 511 CG1 VAL B 33 -15.925 -5.055 -5.172 1.00 0.00 C ATOM 512 CG2 VAL B 33 -16.026 -3.461 -3.234 1.00 0.00 C ATOM 0 H VAL B 33 -15.775 -7.427 -3.662 1.00 0.00 H new ATOM 0 HA VAL B 33 -16.871 -5.499 -1.881 1.00 0.00 H new ATOM 0 HB VAL B 33 -14.842 -5.234 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -15.189 -4.403 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -15.723 -6.090 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -16.923 -4.778 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -15.304 -2.833 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -17.036 -3.135 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -15.870 -3.376 -2.159 1.00 0.00 H new ATOM 522 N GLU B 34 -18.585 -6.341 -4.561 1.00 0.00 N ATOM 523 CA GLU B 34 -19.904 -6.223 -5.161 1.00 0.00 C ATOM 524 C GLU B 34 -20.960 -6.788 -4.234 1.00 0.00 C ATOM 525 O GLU B 34 -22.120 -6.400 -4.293 1.00 0.00 O ATOM 526 CB GLU B 34 -19.972 -6.889 -6.531 1.00 0.00 C ATOM 527 CG GLU B 34 -19.356 -6.042 -7.631 1.00 0.00 C ATOM 528 CD GLU B 34 -19.786 -6.482 -9.011 1.00 0.00 C ATOM 529 OE1 GLU B 34 -21.000 -6.447 -9.295 1.00 0.00 O ATOM 530 OE2 GLU B 34 -18.915 -6.848 -9.825 1.00 0.00 O ATOM 0 H GLU B 34 -17.968 -7.016 -5.013 1.00 0.00 H new ATOM 0 HA GLU B 34 -20.101 -5.162 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.459 -7.850 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -21.013 -7.095 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -19.636 -4.999 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -18.270 -6.093 -7.559 1.00 0.00 H new ATOM 537 N ALA B 35 -20.553 -7.694 -3.366 1.00 0.00 N ATOM 538 CA ALA B 35 -21.426 -8.145 -2.306 1.00 0.00 C ATOM 539 C ALA B 35 -21.732 -6.975 -1.383 1.00 0.00 C ATOM 540 O ALA B 35 -22.876 -6.722 -1.024 1.00 0.00 O ATOM 541 CB ALA B 35 -20.778 -9.283 -1.536 1.00 0.00 C ATOM 0 H ALA B 35 -19.630 -8.128 -3.375 1.00 0.00 H new ATOM 0 HA ALA B 35 -22.357 -8.518 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -21.447 -9.612 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -20.582 -10.115 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -19.839 -8.940 -1.101 1.00 0.00 H new ATOM 547 N ILE B 36 -20.695 -6.229 -1.049 1.00 0.00 N ATOM 548 CA ILE B 36 -20.822 -5.113 -0.128 1.00 0.00 C ATOM 549 C ILE B 36 -21.549 -3.937 -0.769 1.00 0.00 C ATOM 550 O ILE B 36 -22.660 -3.594 -0.368 1.00 0.00 O ATOM 551 CB ILE B 36 -19.438 -4.646 0.354 1.00 0.00 C ATOM 552 CG1 ILE B 36 -18.649 -5.843 0.873 1.00 0.00 C ATOM 553 CG2 ILE B 36 -19.576 -3.580 1.433 1.00 0.00 C ATOM 554 CD1 ILE B 36 -17.192 -5.547 1.105 1.00 0.00 C ATOM 0 H ILE B 36 -19.750 -6.377 -1.404 1.00 0.00 H new ATOM 0 HA ILE B 36 -21.407 -5.465 0.722 1.00 0.00 H new ATOM 0 HB ILE B 36 -18.899 -4.203 -0.484 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -19.095 -6.185 1.807 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -18.736 -6.662 0.159 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -18.586 -3.263 1.760 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -20.117 -2.723 1.031 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -20.125 -3.990 2.281 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -16.693 -6.443 1.474 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -16.731 -5.234 0.168 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -17.096 -4.749 1.841 1.00 0.00 H new ATOM 566 N LEU B 37 -20.937 -3.360 -1.798 1.00 0.00 N ATOM 567 CA LEU B 37 -21.416 -2.100 -2.365 1.00 0.00 C ATOM 568 C LEU B 37 -22.790 -2.220 -3.021 1.00 0.00 C ATOM 569 O LEU B 37 -23.480 -1.218 -3.212 1.00 0.00 O ATOM 570 CB LEU B 37 -20.383 -1.514 -3.343 1.00 0.00 C ATOM 571 CG LEU B 37 -19.783 -2.467 -4.386 1.00 0.00 C ATOM 572 CD1 LEU B 37 -20.793 -2.833 -5.463 1.00 0.00 C ATOM 573 CD2 LEU B 37 -18.541 -1.846 -5.002 1.00 0.00 C ATOM 0 H LEU B 37 -20.110 -3.742 -2.257 1.00 0.00 H new ATOM 0 HA LEU B 37 -21.538 -1.410 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -20.852 -0.685 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -19.564 -1.095 -2.758 1.00 0.00 H new ATOM 0 HG LEU B 37 -19.505 -3.391 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -20.330 -3.509 -6.182 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -21.652 -3.324 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -21.123 -1.929 -5.975 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -18.121 -2.528 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -18.806 -0.906 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -17.803 -1.658 -4.222 1.00 0.00 H new ATOM 585 N ALA B 38 -23.189 -3.430 -3.369 1.00 0.00 N ATOM 586 CA ALA B 38 -24.484 -3.629 -4.001 1.00 0.00 C ATOM 587 C ALA B 38 -25.588 -3.877 -2.977 1.00 0.00 C ATOM 588 O ALA B 38 -26.742 -3.518 -3.205 1.00 0.00 O ATOM 589 CB ALA B 38 -24.431 -4.768 -4.999 1.00 0.00 C ATOM 0 H ALA B 38 -22.644 -4.281 -3.228 1.00 0.00 H new ATOM 0 HA ALA B 38 -24.723 -2.707 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -25.412 -4.896 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -23.696 -4.541 -5.771 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -24.147 -5.687 -4.487 1.00 0.00 H new ATOM 595 N HIS B 39 -25.243 -4.494 -1.850 1.00 0.00 N ATOM 596 CA HIS B 39 -26.256 -4.866 -0.866 1.00 0.00 C ATOM 597 C HIS B 39 -26.655 -3.689 0.013 1.00 0.00 C ATOM 598 O HIS B 39 -27.794 -3.618 0.475 1.00 0.00 O ATOM 599 CB HIS B 39 -25.788 -6.031 0.007 1.00 0.00 C ATOM 600 CG HIS B 39 -25.989 -7.376 -0.617 1.00 0.00 C ATOM 601 ND1 HIS B 39 -25.312 -8.004 -1.602 1.00 0.00 N flip ATOM 602 CD2 HIS B 39 -26.990 -8.239 -0.234 1.00 0.00 C flip ATOM 603 CE1 HIS B 39 -25.910 -9.219 -1.799 1.00 0.00 C flip ATOM 604 NE2 HIS B 39 -26.921 -9.337 -0.963 1.00 0.00 N flip ATOM 0 H HIS B 39 -24.287 -4.744 -1.598 1.00 0.00 H new ATOM 0 HA HIS B 39 -27.133 -5.182 -1.430 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -24.730 -5.901 0.233 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -26.323 -5.998 0.956 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -24.504 -7.640 -2.106 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -27.717 -8.048 0.541 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -25.603 -9.960 -2.522 1.00 0.00 H new ATOM 613 N LEU B 40 -25.738 -2.759 0.245 1.00 0.00 N ATOM 614 CA LEU B 40 -26.068 -1.593 1.048 1.00 0.00 C ATOM 615 C LEU B 40 -26.610 -0.456 0.184 1.00 0.00 C ATOM 616 O LEU B 40 -25.879 0.431 -0.250 1.00 0.00 O ATOM 617 CB LEU B 40 -24.886 -1.135 1.931 1.00 0.00 C ATOM 618 CG LEU B 40 -23.466 -1.357 1.385 1.00 0.00 C ATOM 619 CD1 LEU B 40 -23.132 -0.382 0.270 1.00 0.00 C ATOM 620 CD2 LEU B 40 -22.449 -1.238 2.508 1.00 0.00 C ATOM 0 H LEU B 40 -24.780 -2.788 -0.104 1.00 0.00 H new ATOM 0 HA LEU B 40 -26.864 -1.891 1.730 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -25.007 -0.070 2.130 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -24.962 -1.649 2.889 1.00 0.00 H new ATOM 0 HG LEU B 40 -23.426 -2.363 0.967 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -22.120 -0.572 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -23.838 -0.512 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -23.198 0.639 0.647 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -21.447 -1.397 2.110 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -22.510 -0.244 2.950 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -22.660 -1.988 3.271 1.00 0.00 H new ATOM 632 N ASN B 41 -27.916 -0.481 -0.056 1.00 0.00 N ATOM 633 CA ASN B 41 -28.564 0.550 -0.862 1.00 0.00 C ATOM 634 C ASN B 41 -28.895 1.758 -0.001 1.00 0.00 C ATOM 635 O ASN B 41 -29.921 2.411 -0.174 1.00 0.00 O ATOM 636 CB ASN B 41 -29.839 0.007 -1.513 1.00 0.00 C ATOM 637 CG ASN B 41 -29.544 -0.983 -2.621 1.00 0.00 C ATOM 638 OD1 ASN B 41 -29.464 -2.189 -2.387 1.00 0.00 O ATOM 639 ND2 ASN B 41 -29.384 -0.479 -3.835 1.00 0.00 N ATOM 0 H ASN B 41 -28.547 -1.202 0.295 1.00 0.00 H new ATOM 0 HA ASN B 41 -27.874 0.852 -1.650 1.00 0.00 H new ATOM 0 HB2 ASN B 41 -30.455 -0.475 -0.754 1.00 0.00 H new ATOM 0 HB3 ASN B 41 -30.420 0.837 -1.916 1.00 0.00 H new ATOM 0 HD21 ASN B 41 -29.186 -1.097 -4.622 1.00 0.00 H new ATOM 0 HD22 ASN B 41 -29.459 0.527 -3.983 1.00 0.00 H new ATOM 646 N THR B 42 -27.984 2.065 0.898 1.00 0.00 N ATOM 647 CA THR B 42 -28.120 3.189 1.796 1.00 0.00 C ATOM 648 C THR B 42 -27.204 4.318 1.336 1.00 0.00 C ATOM 649 O THR B 42 -27.332 5.466 1.764 1.00 0.00 O ATOM 650 CB THR B 42 -27.793 2.760 3.247 1.00 0.00 C ATOM 651 OG1 THR B 42 -27.713 3.896 4.119 1.00 0.00 O ATOM 652 CG2 THR B 42 -26.492 1.967 3.301 1.00 0.00 C ATOM 0 H THR B 42 -27.121 1.536 1.026 1.00 0.00 H new ATOM 0 HA THR B 42 -29.150 3.546 1.780 1.00 0.00 H new ATOM 0 HB THR B 42 -28.606 2.120 3.590 1.00 0.00 H new ATOM 0 HG1 THR B 42 -27.207 3.656 4.923 1.00 0.00 H new ATOM 0 HG21 THR B 42 -26.285 1.678 4.331 1.00 0.00 H new ATOM 0 HG22 THR B 42 -26.585 1.073 2.685 1.00 0.00 H new ATOM 0 HG23 THR B 42 -25.675 2.583 2.926 1.00 0.00 H new ATOM 660 N VAL B 43 -26.298 3.984 0.423 1.00 0.00 N ATOM 661 CA VAL B 43 -25.345 4.946 -0.103 1.00 0.00 C ATOM 662 C VAL B 43 -25.258 4.881 -1.625 1.00 0.00 C ATOM 663 O VAL B 43 -24.623 3.985 -2.180 1.00 0.00 O ATOM 664 CB VAL B 43 -23.929 4.737 0.485 1.00 0.00 C ATOM 665 CG1 VAL B 43 -23.817 5.353 1.866 1.00 0.00 C ATOM 666 CG2 VAL B 43 -23.582 3.255 0.541 1.00 0.00 C ATOM 0 H VAL B 43 -26.206 3.047 0.032 1.00 0.00 H new ATOM 0 HA VAL B 43 -25.714 5.927 0.195 1.00 0.00 H new ATOM 0 HB VAL B 43 -23.218 5.237 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -22.812 5.192 2.256 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -24.015 6.423 1.804 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -24.544 4.888 2.532 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -22.582 3.131 0.958 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -24.305 2.736 1.171 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -23.610 2.836 -0.465 1.00 0.00 H new ATOM 676 N PRO B 44 -25.924 5.807 -2.329 1.00 0.00 N ATOM 677 CA PRO B 44 -25.728 5.975 -3.764 1.00 0.00 C ATOM 678 C PRO B 44 -24.381 6.633 -4.038 1.00 0.00 C ATOM 679 O PRO B 44 -24.267 7.861 -4.085 1.00 0.00 O ATOM 680 CB PRO B 44 -26.882 6.890 -4.203 1.00 0.00 C ATOM 681 CG PRO B 44 -27.784 7.004 -3.013 1.00 0.00 C ATOM 682 CD PRO B 44 -26.930 6.736 -1.807 1.00 0.00 C ATOM 0 HA PRO B 44 -25.726 5.028 -4.303 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -26.511 7.868 -4.508 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -27.412 6.469 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -28.232 7.996 -2.959 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -28.603 6.287 -3.076 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -26.477 7.649 -1.420 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -27.505 6.295 -0.993 1.00 0.00 H new ATOM 690 N ARG B 45 -23.356 5.810 -4.171 1.00 0.00 N ATOM 691 CA ARG B 45 -21.997 6.293 -4.350 1.00 0.00 C ATOM 692 C ARG B 45 -21.283 5.468 -5.401 1.00 0.00 C ATOM 693 O ARG B 45 -21.791 4.436 -5.843 1.00 0.00 O ATOM 694 CB ARG B 45 -21.224 6.218 -3.029 1.00 0.00 C ATOM 695 CG ARG B 45 -21.821 7.071 -1.924 1.00 0.00 C ATOM 696 CD ARG B 45 -20.996 7.002 -0.651 1.00 0.00 C ATOM 697 NE ARG B 45 -19.671 7.592 -0.837 1.00 0.00 N ATOM 698 CZ ARG B 45 -19.145 8.539 -0.056 1.00 0.00 C ATOM 699 NH1 ARG B 45 -19.812 8.991 1.003 1.00 0.00 N ATOM 700 NH2 ARG B 45 -17.949 9.042 -0.340 1.00 0.00 N ATOM 0 H ARG B 45 -23.440 4.794 -4.158 1.00 0.00 H new ATOM 0 HA ARG B 45 -22.043 7.332 -4.677 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -21.190 5.180 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -20.195 6.532 -3.202 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -21.887 8.106 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -22.838 6.738 -1.717 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -21.518 7.524 0.151 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -20.892 5.963 -0.340 1.00 0.00 H new ATOM 0 HE ARG B 45 -19.109 7.256 -1.619 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -20.734 8.614 1.224 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -19.402 9.715 1.593 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -17.434 8.705 -1.153 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -17.546 9.765 0.255 1.00 0.00 H new ATOM 714 N THR B 46 -20.104 5.916 -5.795 1.00 0.00 N ATOM 715 CA THR B 46 -19.303 5.171 -6.741 1.00 0.00 C ATOM 716 C THR B 46 -18.683 3.959 -6.041 1.00 0.00 C ATOM 717 O THR B 46 -18.507 3.962 -4.817 1.00 0.00 O ATOM 718 CB THR B 46 -18.212 6.062 -7.381 1.00 0.00 C ATOM 719 OG1 THR B 46 -17.688 5.439 -8.561 1.00 0.00 O ATOM 720 CG2 THR B 46 -17.076 6.347 -6.407 1.00 0.00 C ATOM 0 H THR B 46 -19.684 6.789 -5.474 1.00 0.00 H new ATOM 0 HA THR B 46 -19.947 4.824 -7.549 1.00 0.00 H new ATOM 0 HB THR B 46 -18.680 7.010 -7.646 1.00 0.00 H new ATOM 0 HG1 THR B 46 -17.000 6.014 -8.957 1.00 0.00 H new ATOM 0 HG21 THR B 46 -16.329 6.975 -6.893 1.00 0.00 H new ATOM 0 HG22 THR B 46 -17.469 6.862 -5.530 1.00 0.00 H new ATOM 0 HG23 THR B 46 -16.616 5.408 -6.100 1.00 0.00 H new ATOM 728 N ARG B 47 -18.353 2.937 -6.818 1.00 0.00 N ATOM 729 CA ARG B 47 -17.907 1.658 -6.269 1.00 0.00 C ATOM 730 C ARG B 47 -16.601 1.815 -5.489 1.00 0.00 C ATOM 731 O ARG B 47 -16.361 1.113 -4.503 1.00 0.00 O ATOM 732 CB ARG B 47 -17.725 0.639 -7.396 1.00 0.00 C ATOM 733 CG ARG B 47 -18.938 0.496 -8.311 1.00 0.00 C ATOM 734 CD ARG B 47 -20.212 0.218 -7.527 1.00 0.00 C ATOM 735 NE ARG B 47 -21.300 -0.254 -8.379 1.00 0.00 N ATOM 736 CZ ARG B 47 -22.564 -0.392 -7.970 1.00 0.00 C ATOM 737 NH1 ARG B 47 -22.916 -0.030 -6.740 1.00 0.00 N ATOM 738 NH2 ARG B 47 -23.479 -0.888 -8.793 1.00 0.00 N ATOM 0 H ARG B 47 -18.385 2.967 -7.837 1.00 0.00 H new ATOM 0 HA ARG B 47 -18.672 1.301 -5.579 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -16.863 0.928 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -17.497 -0.333 -6.959 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -19.062 1.409 -8.894 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -18.764 -0.314 -9.020 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -20.007 -0.527 -6.759 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -20.525 1.127 -7.014 1.00 0.00 H new ATOM 0 HE ARG B 47 -21.081 -0.493 -9.346 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -22.219 0.356 -6.103 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -23.883 -0.138 -6.434 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -23.217 -1.164 -9.739 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -24.444 -0.993 -8.479 1.00 0.00 H new ATOM 752 N LYS B 48 -15.781 2.756 -5.938 1.00 0.00 N ATOM 753 CA LYS B 48 -14.486 3.043 -5.326 1.00 0.00 C ATOM 754 C LYS B 48 -14.612 3.381 -3.837 1.00 0.00 C ATOM 755 O LYS B 48 -13.719 3.079 -3.045 1.00 0.00 O ATOM 756 CB LYS B 48 -13.833 4.216 -6.066 1.00 0.00 C ATOM 757 CG LYS B 48 -12.502 4.657 -5.480 1.00 0.00 C ATOM 758 CD LYS B 48 -11.979 5.921 -6.151 1.00 0.00 C ATOM 759 CE LYS B 48 -12.954 7.083 -6.004 1.00 0.00 C ATOM 760 NZ LYS B 48 -12.359 8.366 -6.462 1.00 0.00 N ATOM 0 H LYS B 48 -15.995 3.346 -6.742 1.00 0.00 H new ATOM 0 HA LYS B 48 -13.870 2.147 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.683 3.936 -7.109 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -14.519 5.063 -6.059 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -12.617 4.834 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -11.771 3.856 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -11.019 6.194 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -11.803 5.725 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -13.856 6.875 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.255 7.174 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.053 9.132 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.512 8.578 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -12.095 8.288 -7.465 1.00 0.00 H new ATOM 774 N GLN B 49 -15.726 3.995 -3.460 1.00 0.00 N ATOM 775 CA GLN B 49 -15.896 4.504 -2.104 1.00 0.00 C ATOM 776 C GLN B 49 -15.997 3.378 -1.083 1.00 0.00 C ATOM 777 O GLN B 49 -15.440 3.476 0.014 1.00 0.00 O ATOM 778 CB GLN B 49 -17.127 5.403 -2.029 1.00 0.00 C ATOM 779 CG GLN B 49 -17.039 6.608 -2.952 1.00 0.00 C ATOM 780 CD GLN B 49 -15.980 7.611 -2.530 1.00 0.00 C ATOM 781 OE1 GLN B 49 -14.986 7.262 -1.902 1.00 0.00 O ATOM 782 NE2 GLN B 49 -16.186 8.869 -2.885 1.00 0.00 N ATOM 0 H GLN B 49 -16.526 4.153 -4.073 1.00 0.00 H new ATOM 0 HA GLN B 49 -15.010 5.089 -1.857 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -18.012 4.820 -2.285 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -17.257 5.747 -1.003 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -16.823 6.267 -3.964 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -18.009 7.105 -2.983 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -17.025 9.121 -3.407 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -15.505 9.587 -2.637 1.00 0.00 H new ATOM 791 N ILE B 50 -16.702 2.314 -1.438 1.00 0.00 N ATOM 792 CA ILE B 50 -16.821 1.160 -0.556 1.00 0.00 C ATOM 793 C ILE B 50 -15.462 0.484 -0.391 1.00 0.00 C ATOM 794 O ILE B 50 -15.030 0.207 0.732 1.00 0.00 O ATOM 795 CB ILE B 50 -17.870 0.141 -1.071 1.00 0.00 C ATOM 796 CG1 ILE B 50 -19.292 0.606 -0.728 1.00 0.00 C ATOM 797 CG2 ILE B 50 -17.618 -1.247 -0.499 1.00 0.00 C ATOM 798 CD1 ILE B 50 -19.857 1.643 -1.676 1.00 0.00 C ATOM 0 H ILE B 50 -17.198 2.225 -2.325 1.00 0.00 H new ATOM 0 HA ILE B 50 -17.166 1.520 0.413 1.00 0.00 H new ATOM 0 HB ILE B 50 -17.772 0.085 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -19.953 -0.261 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -19.293 1.016 0.282 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -18.370 -1.939 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -16.627 -1.589 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -17.677 -1.208 0.589 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -20.864 1.915 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -19.222 2.529 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -19.892 1.233 -2.685 1.00 0.00 H new ATOM 810 N ILE B 51 -14.785 0.259 -1.515 1.00 0.00 N ATOM 811 CA ILE B 51 -13.445 -0.323 -1.517 1.00 0.00 C ATOM 812 C ILE B 51 -12.525 0.455 -0.590 1.00 0.00 C ATOM 813 O ILE B 51 -11.849 -0.108 0.275 1.00 0.00 O ATOM 814 CB ILE B 51 -12.821 -0.287 -2.929 1.00 0.00 C ATOM 815 CG1 ILE B 51 -13.640 -1.121 -3.912 1.00 0.00 C ATOM 816 CG2 ILE B 51 -11.378 -0.771 -2.883 1.00 0.00 C ATOM 817 CD1 ILE B 51 -13.146 -1.036 -5.341 1.00 0.00 C ATOM 0 H ILE B 51 -15.147 0.473 -2.444 1.00 0.00 H new ATOM 0 HA ILE B 51 -13.547 -1.355 -1.182 1.00 0.00 H new ATOM 0 HB ILE B 51 -12.830 0.745 -3.279 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -13.624 -2.163 -3.593 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -14.679 -0.793 -3.876 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -10.952 -0.740 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -10.799 -0.126 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -11.349 -1.794 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.776 -1.654 -5.981 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -13.189 -0.001 -5.680 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -12.117 -1.392 -5.392 1.00 0.00 H new ATOM 829 N HIS B 52 -12.527 1.762 -0.784 1.00 0.00 N ATOM 830 CA HIS B 52 -11.606 2.645 -0.101 1.00 0.00 C ATOM 831 C HIS B 52 -11.750 2.592 1.414 1.00 0.00 C ATOM 832 O HIS B 52 -10.770 2.355 2.112 1.00 0.00 O ATOM 833 CB HIS B 52 -11.784 4.068 -0.612 1.00 0.00 C ATOM 834 CG HIS B 52 -10.754 4.443 -1.624 1.00 0.00 C ATOM 835 ND1 HIS B 52 -10.013 5.599 -1.540 1.00 0.00 N ATOM 836 CD2 HIS B 52 -10.320 3.797 -2.737 1.00 0.00 C ATOM 837 CE1 HIS B 52 -9.165 5.648 -2.545 1.00 0.00 C ATOM 838 NE2 HIS B 52 -9.331 4.569 -3.286 1.00 0.00 N ATOM 0 H HIS B 52 -13.167 2.238 -1.419 1.00 0.00 H new ATOM 0 HA HIS B 52 -10.596 2.300 -0.324 1.00 0.00 H new ATOM 0 HB2 HIS B 52 -12.776 4.172 -1.052 1.00 0.00 H new ATOM 0 HB3 HIS B 52 -11.734 4.761 0.228 1.00 0.00 H new ATOM 0 HD2 HIS B 52 -10.685 2.854 -3.117 1.00 0.00 H new ATOM 0 HE1 HIS B 52 -8.453 6.438 -2.732 1.00 0.00 H new ATOM 0 HE2 HIS B 52 -8.807 4.346 -4.132 1.00 0.00 H new ATOM 847 N HIS B 53 -12.960 2.793 1.924 1.00 0.00 N ATOM 848 CA HIS B 53 -13.162 2.863 3.373 1.00 0.00 C ATOM 849 C HIS B 53 -12.734 1.574 4.067 1.00 0.00 C ATOM 850 O HIS B 53 -12.263 1.596 5.201 1.00 0.00 O ATOM 851 CB HIS B 53 -14.615 3.152 3.717 1.00 0.00 C ATOM 852 CG HIS B 53 -15.099 4.489 3.264 1.00 0.00 C ATOM 853 ND1 HIS B 53 -14.348 5.641 3.364 1.00 0.00 N ATOM 854 CD2 HIS B 53 -16.277 4.852 2.712 1.00 0.00 C ATOM 855 CE1 HIS B 53 -15.045 6.656 2.893 1.00 0.00 C ATOM 856 NE2 HIS B 53 -16.223 6.211 2.490 1.00 0.00 N ATOM 0 H HIS B 53 -13.807 2.909 1.368 1.00 0.00 H new ATOM 0 HA HIS B 53 -12.537 3.681 3.732 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -15.242 2.381 3.270 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -14.742 3.079 4.797 1.00 0.00 H new ATOM 0 HD1 HIS B 53 -13.403 5.699 3.743 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -17.107 4.199 2.487 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -14.709 7.681 2.844 1.00 0.00 H new ATOM 865 N LEU B 54 -12.891 0.457 3.379 1.00 0.00 N ATOM 866 CA LEU B 54 -12.560 -0.841 3.948 1.00 0.00 C ATOM 867 C LEU B 54 -11.058 -0.991 4.140 1.00 0.00 C ATOM 868 O LEU B 54 -10.597 -1.425 5.199 1.00 0.00 O ATOM 869 CB LEU B 54 -13.093 -1.958 3.057 1.00 0.00 C ATOM 870 CG LEU B 54 -14.612 -2.101 3.053 1.00 0.00 C ATOM 871 CD1 LEU B 54 -15.043 -3.026 1.935 1.00 0.00 C ATOM 872 CD2 LEU B 54 -15.106 -2.625 4.397 1.00 0.00 C ATOM 0 H LEU B 54 -13.246 0.421 2.424 1.00 0.00 H new ATOM 0 HA LEU B 54 -13.033 -0.911 4.927 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.756 -1.782 2.036 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -12.654 -2.902 3.379 1.00 0.00 H new ATOM 0 HG LEU B 54 -15.054 -1.118 2.887 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -16.129 -3.122 1.940 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -14.720 -2.616 0.978 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -14.591 -4.007 2.080 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -16.192 -2.720 4.374 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -14.661 -3.600 4.593 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -14.819 -1.930 5.186 1.00 0.00 H new ATOM 884 N VAL B 55 -10.293 -0.617 3.128 1.00 0.00 N ATOM 885 CA VAL B 55 -8.843 -0.697 3.218 1.00 0.00 C ATOM 886 C VAL B 55 -8.316 0.441 4.081 1.00 0.00 C ATOM 887 O VAL B 55 -7.214 0.372 4.626 1.00 0.00 O ATOM 888 CB VAL B 55 -8.175 -0.680 1.824 1.00 0.00 C ATOM 889 CG1 VAL B 55 -8.842 -1.698 0.917 1.00 0.00 C ATOM 890 CG2 VAL B 55 -8.209 0.703 1.193 1.00 0.00 C ATOM 0 H VAL B 55 -10.647 -0.258 2.241 1.00 0.00 H new ATOM 0 HA VAL B 55 -8.587 -1.649 3.682 1.00 0.00 H new ATOM 0 HB VAL B 55 -7.126 -0.947 1.954 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -8.365 -1.680 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -8.741 -2.693 1.351 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -9.899 -1.454 0.811 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -7.729 0.669 0.215 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -9.244 1.025 1.078 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -7.678 1.408 1.833 1.00 0.00 H new ATOM 900 N GLN B 56 -9.135 1.475 4.217 1.00 0.00 N ATOM 901 CA GLN B 56 -8.827 2.604 5.079 1.00 0.00 C ATOM 902 C GLN B 56 -8.956 2.219 6.545 1.00 0.00 C ATOM 903 O GLN B 56 -8.187 2.680 7.385 1.00 0.00 O ATOM 904 CB GLN B 56 -9.748 3.784 4.758 1.00 0.00 C ATOM 905 CG GLN B 56 -9.297 4.602 3.558 1.00 0.00 C ATOM 906 CD GLN B 56 -10.384 5.508 3.016 1.00 0.00 C ATOM 907 OE1 GLN B 56 -11.264 5.963 3.746 1.00 0.00 O ATOM 908 NE2 GLN B 56 -10.344 5.757 1.716 1.00 0.00 N ATOM 0 H GLN B 56 -10.030 1.553 3.733 1.00 0.00 H new ATOM 0 HA GLN B 56 -7.795 2.902 4.894 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -10.754 3.408 4.573 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -9.806 4.436 5.630 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -8.435 5.207 3.841 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -8.967 3.927 2.768 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -9.598 5.361 1.144 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -11.059 6.344 1.287 1.00 0.00 H new ATOM 917 N MET B 57 -9.920 1.356 6.848 1.00 0.00 N ATOM 918 CA MET B 57 -10.129 0.911 8.222 1.00 0.00 C ATOM 919 C MET B 57 -9.178 -0.221 8.592 1.00 0.00 C ATOM 920 O MET B 57 -9.283 -0.803 9.670 1.00 0.00 O ATOM 921 CB MET B 57 -11.589 0.499 8.449 1.00 0.00 C ATOM 922 CG MET B 57 -12.523 1.685 8.652 1.00 0.00 C ATOM 923 SD MET B 57 -14.234 1.205 8.982 1.00 0.00 S ATOM 924 CE MET B 57 -14.764 0.660 7.360 1.00 0.00 C ATOM 0 H MET B 57 -10.564 0.953 6.167 1.00 0.00 H new ATOM 0 HA MET B 57 -9.909 1.753 8.878 1.00 0.00 H new ATOM 0 HB2 MET B 57 -11.932 -0.083 7.594 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.644 -0.152 9.321 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.156 2.288 9.482 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.496 2.316 7.763 1.00 0.00 H new ATOM 0 HE1 MET B 57 -15.341 -0.260 7.456 1.00 0.00 H new ATOM 0 HE2 MET B 57 -15.383 1.431 6.901 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.890 0.477 6.734 1.00 0.00 H new ATOM 934 N GLY B 58 -8.250 -0.529 7.691 1.00 0.00 N ATOM 935 CA GLY B 58 -7.225 -1.522 7.973 1.00 0.00 C ATOM 936 C GLY B 58 -7.772 -2.934 8.051 1.00 0.00 C ATOM 937 O GLY B 58 -7.038 -3.877 8.351 1.00 0.00 O ATOM 0 H GLY B 58 -8.189 -0.106 6.765 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -6.460 -1.477 7.197 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -6.737 -1.275 8.916 1.00 0.00 H new ATOM 941 N LEU B 59 -9.059 -3.083 7.773 1.00 0.00 N ATOM 942 CA LEU B 59 -9.699 -4.390 7.823 1.00 0.00 C ATOM 943 C LEU B 59 -9.443 -5.134 6.521 1.00 0.00 C ATOM 944 O LEU B 59 -9.603 -6.353 6.437 1.00 0.00 O ATOM 945 CB LEU B 59 -11.202 -4.248 8.115 1.00 0.00 C ATOM 946 CG LEU B 59 -11.995 -3.388 7.133 1.00 0.00 C ATOM 947 CD1 LEU B 59 -12.418 -4.202 5.925 1.00 0.00 C ATOM 948 CD2 LEU B 59 -13.203 -2.778 7.820 1.00 0.00 C ATOM 0 H LEU B 59 -9.680 -2.317 7.511 1.00 0.00 H new ATOM 0 HA LEU B 59 -9.269 -4.973 8.638 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -11.644 -5.244 8.134 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -11.320 -3.827 9.114 1.00 0.00 H new ATOM 0 HG LEU B 59 -11.351 -2.580 6.786 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -12.981 -3.569 5.239 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -11.533 -4.588 5.419 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -13.044 -5.034 6.248 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -13.758 -2.168 7.107 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -13.847 -3.573 8.196 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -12.873 -2.155 8.651 1.00 0.00 H new ATOM 960 N ALA B 60 -9.050 -4.379 5.505 1.00 0.00 N ATOM 961 CA ALA B 60 -8.658 -4.953 4.226 1.00 0.00 C ATOM 962 C ALA B 60 -7.188 -4.679 3.951 1.00 0.00 C ATOM 963 O ALA B 60 -6.552 -3.905 4.669 1.00 0.00 O ATOM 964 CB ALA B 60 -9.510 -4.391 3.104 1.00 0.00 C ATOM 0 H ALA B 60 -8.994 -3.361 5.543 1.00 0.00 H new ATOM 0 HA ALA B 60 -8.813 -6.031 4.274 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -9.201 -4.833 2.156 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -10.558 -4.627 3.290 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -9.384 -3.309 3.058 1.00 0.00 H new ATOM 970 N ASP B 61 -6.646 -5.313 2.920 1.00 0.00 N ATOM 971 CA ASP B 61 -5.248 -5.109 2.554 1.00 0.00 C ATOM 972 C ASP B 61 -5.072 -3.772 1.856 1.00 0.00 C ATOM 973 O ASP B 61 -4.466 -2.845 2.395 1.00 0.00 O ATOM 974 CB ASP B 61 -4.769 -6.223 1.618 1.00 0.00 C ATOM 975 CG ASP B 61 -3.301 -6.085 1.242 1.00 0.00 C ATOM 976 OD1 ASP B 61 -2.456 -6.753 1.875 1.00 0.00 O ATOM 977 OD2 ASP B 61 -2.983 -5.313 0.310 1.00 0.00 O ATOM 0 H ASP B 61 -7.149 -5.970 2.324 1.00 0.00 H new ATOM 0 HA ASP B 61 -4.657 -5.124 3.470 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -4.927 -7.188 2.099 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -5.374 -6.215 0.711 1.00 0.00 H new ATOM 982 N SER B 62 -5.630 -3.683 0.659 1.00 0.00 N ATOM 983 CA SER B 62 -5.534 -2.488 -0.148 1.00 0.00 C ATOM 984 C SER B 62 -6.549 -2.543 -1.277 1.00 0.00 C ATOM 985 O SER B 62 -7.245 -3.549 -1.442 1.00 0.00 O ATOM 986 CB SER B 62 -4.123 -2.340 -0.711 1.00 0.00 C ATOM 987 OG SER B 62 -3.749 -3.469 -1.485 1.00 0.00 O ATOM 0 H SER B 62 -6.160 -4.438 0.225 1.00 0.00 H new ATOM 0 HA SER B 62 -5.749 -1.622 0.478 1.00 0.00 H new ATOM 0 HB2 SER B 62 -4.068 -1.442 -1.326 1.00 0.00 H new ATOM 0 HB3 SER B 62 -3.416 -2.209 0.108 1.00 0.00 H new ATOM 0 HG SER B 62 -3.335 -4.141 -0.904 1.00 0.00 H new ATOM 993 N VAL B 63 -6.627 -1.473 -2.057 1.00 0.00 N ATOM 994 CA VAL B 63 -7.540 -1.415 -3.190 1.00 0.00 C ATOM 995 C VAL B 63 -7.171 -2.478 -4.216 1.00 0.00 C ATOM 996 O VAL B 63 -8.023 -2.990 -4.938 1.00 0.00 O ATOM 997 CB VAL B 63 -7.510 -0.017 -3.851 1.00 0.00 C ATOM 998 CG1 VAL B 63 -8.327 0.012 -5.136 1.00 0.00 C ATOM 999 CG2 VAL B 63 -8.013 1.037 -2.878 1.00 0.00 C ATOM 0 H VAL B 63 -6.067 -0.631 -1.925 1.00 0.00 H new ATOM 0 HA VAL B 63 -8.549 -1.603 -2.823 1.00 0.00 H new ATOM 0 HB VAL B 63 -6.476 0.206 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -8.283 1.010 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -7.920 -0.712 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -9.364 -0.241 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -7.986 2.016 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -9.037 0.803 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -7.377 1.048 -1.993 1.00 0.00 H new ATOM 1009 N LYS B 64 -5.895 -2.836 -4.235 1.00 0.00 N ATOM 1010 CA LYS B 64 -5.372 -3.776 -5.212 1.00 0.00 C ATOM 1011 C LYS B 64 -5.912 -5.185 -4.977 1.00 0.00 C ATOM 1012 O LYS B 64 -5.963 -5.996 -5.900 1.00 0.00 O ATOM 1013 CB LYS B 64 -3.848 -3.792 -5.157 1.00 0.00 C ATOM 1014 CG LYS B 64 -3.222 -2.404 -5.161 1.00 0.00 C ATOM 1015 CD LYS B 64 -1.703 -2.457 -5.285 1.00 0.00 C ATOM 1016 CE LYS B 64 -1.052 -3.258 -4.161 1.00 0.00 C ATOM 1017 NZ LYS B 64 -1.360 -2.709 -2.812 1.00 0.00 N ATOM 0 H LYS B 64 -5.198 -2.485 -3.578 1.00 0.00 H new ATOM 0 HA LYS B 64 -5.699 -3.448 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -3.531 -4.322 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -3.468 -4.355 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -3.632 -1.825 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -3.492 -1.883 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -1.435 -2.900 -6.244 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -1.306 -1.442 -5.281 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -1.391 -4.293 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS B 64 0.028 -3.269 -4.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -0.609 -2.981 -2.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -1.417 -1.672 -2.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -2.270 -3.090 -2.482 1.00 0.00 H new ATOM 1031 N ASP B 65 -6.310 -5.472 -3.743 1.00 0.00 N ATOM 1032 CA ASP B 65 -6.862 -6.783 -3.408 1.00 0.00 C ATOM 1033 C ASP B 65 -8.280 -6.904 -3.950 1.00 0.00 C ATOM 1034 O ASP B 65 -8.721 -7.980 -4.352 1.00 0.00 O ATOM 1035 CB ASP B 65 -6.847 -7.000 -1.895 1.00 0.00 C ATOM 1036 CG ASP B 65 -7.319 -8.387 -1.503 1.00 0.00 C ATOM 1037 OD1 ASP B 65 -6.588 -9.366 -1.765 1.00 0.00 O ATOM 1038 OD2 ASP B 65 -8.404 -8.501 -0.901 1.00 0.00 O ATOM 0 H ASP B 65 -6.262 -4.820 -2.960 1.00 0.00 H new ATOM 0 HA ASP B 65 -6.243 -7.553 -3.869 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -5.836 -6.844 -1.519 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -7.483 -6.255 -1.418 1.00 0.00 H new ATOM 1043 N PHE B 66 -8.972 -5.773 -3.989 1.00 0.00 N ATOM 1044 CA PHE B 66 -10.310 -5.710 -4.558 1.00 0.00 C ATOM 1045 C PHE B 66 -10.213 -5.637 -6.066 1.00 0.00 C ATOM 1046 O PHE B 66 -10.894 -6.359 -6.794 1.00 0.00 O ATOM 1047 CB PHE B 66 -11.047 -4.454 -4.084 1.00 0.00 C ATOM 1048 CG PHE B 66 -11.390 -4.421 -2.630 1.00 0.00 C ATOM 1049 CD1 PHE B 66 -10.409 -4.538 -1.663 1.00 0.00 C ATOM 1050 CD2 PHE B 66 -12.700 -4.246 -2.232 1.00 0.00 C ATOM 1051 CE1 PHE B 66 -10.731 -4.485 -0.327 1.00 0.00 C ATOM 1052 CE2 PHE B 66 -13.032 -4.195 -0.897 1.00 0.00 C ATOM 1053 CZ PHE B 66 -12.045 -4.314 0.060 1.00 0.00 C ATOM 0 H PHE B 66 -8.626 -4.883 -3.631 1.00 0.00 H new ATOM 0 HA PHE B 66 -10.852 -6.600 -4.238 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -10.432 -3.584 -4.314 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -11.968 -4.355 -4.659 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -9.379 -4.672 -1.960 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -13.475 -4.148 -2.978 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -9.956 -4.577 0.419 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -14.062 -4.062 -0.600 1.00 0.00 H new ATOM 0 HZ PHE B 66 -12.300 -4.273 1.109 1.00 0.00 H new ATOM 1184 N VAL B 74 4.373 7.167 -8.773 1.00 0.00 N ATOM 1185 CA VAL B 74 5.278 8.298 -8.785 1.00 0.00 C ATOM 1186 C VAL B 74 5.437 8.766 -10.211 1.00 0.00 C ATOM 1187 O VAL B 74 5.301 7.972 -11.132 1.00 0.00 O ATOM 1188 CB VAL B 74 6.662 7.913 -8.181 1.00 0.00 C ATOM 1189 CG1 VAL B 74 6.535 6.667 -7.323 1.00 0.00 C ATOM 1190 CG2 VAL B 74 7.717 7.698 -9.260 1.00 0.00 C ATOM 0 HA VAL B 74 4.866 9.100 -8.172 1.00 0.00 H new ATOM 0 HB VAL B 74 6.989 8.748 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL B 74 7.510 6.410 -6.908 1.00 0.00 H new ATOM 0 HG12 VAL B 74 5.833 6.855 -6.511 1.00 0.00 H new ATOM 0 HG13 VAL B 74 6.171 5.840 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL B 74 8.665 7.432 -8.794 1.00 0.00 H new ATOM 0 HG22 VAL B 74 7.400 6.893 -9.923 1.00 0.00 H new ATOM 0 HG23 VAL B 74 7.841 8.615 -9.836 1.00 0.00 H new ATOM 1200 N LEU B 75 5.679 10.041 -10.403 1.00 0.00 N ATOM 1201 CA LEU B 75 5.800 10.570 -11.742 1.00 0.00 C ATOM 1202 C LEU B 75 6.905 9.858 -12.515 1.00 0.00 C ATOM 1203 O LEU B 75 8.093 10.120 -12.320 1.00 0.00 O ATOM 1204 CB LEU B 75 6.073 12.060 -11.718 1.00 0.00 C ATOM 1205 CG LEU B 75 5.958 12.707 -13.087 1.00 0.00 C ATOM 1206 CD1 LEU B 75 4.498 12.766 -13.509 1.00 0.00 C ATOM 1207 CD2 LEU B 75 6.585 14.085 -13.089 1.00 0.00 C ATOM 0 H LEU B 75 5.795 10.727 -9.657 1.00 0.00 H new ATOM 0 HA LEU B 75 4.850 10.396 -12.246 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.373 12.541 -11.035 1.00 0.00 H new ATOM 0 HB3 LEU B 75 7.074 12.234 -11.323 1.00 0.00 H new ATOM 0 HG LEU B 75 6.504 12.100 -13.810 1.00 0.00 H new ATOM 0 HD11 LEU B 75 4.422 13.231 -14.492 1.00 0.00 H new ATOM 0 HD12 LEU B 75 4.091 11.756 -13.553 1.00 0.00 H new ATOM 0 HD13 LEU B 75 3.933 13.353 -12.785 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.489 14.527 -14.081 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.078 14.717 -12.360 1.00 0.00 H new ATOM 0 HD23 LEU B 75 7.640 14.005 -12.828 1.00 0.00 H new ATOM 1219 N TRP B 76 6.501 8.934 -13.366 1.00 0.00 N ATOM 1220 CA TRP B 76 7.435 8.197 -14.194 1.00 0.00 C ATOM 1221 C TRP B 76 7.456 8.764 -15.602 1.00 0.00 C ATOM 1222 O TRP B 76 6.480 8.645 -16.343 1.00 0.00 O ATOM 1223 CB TRP B 76 7.056 6.715 -14.260 1.00 0.00 C ATOM 1224 CG TRP B 76 7.335 5.931 -13.019 1.00 0.00 C ATOM 1225 CD1 TRP B 76 6.413 5.493 -12.132 1.00 0.00 C ATOM 1226 CD2 TRP B 76 8.600 5.465 -12.544 1.00 0.00 C ATOM 1227 NE1 TRP B 76 7.015 4.783 -11.127 1.00 0.00 N ATOM 1228 CE2 TRP B 76 8.357 4.751 -11.355 1.00 0.00 C ATOM 1229 CE3 TRP B 76 9.910 5.579 -13.001 1.00 0.00 C ATOM 1230 CZ2 TRP B 76 9.368 4.152 -10.625 1.00 0.00 C ATOM 1231 CZ3 TRP B 76 10.920 4.985 -12.269 1.00 0.00 C ATOM 1232 CH2 TRP B 76 10.642 4.278 -11.093 1.00 0.00 C ATOM 0 H TRP B 76 5.524 8.675 -13.502 1.00 0.00 H new ATOM 0 HA TRP B 76 8.423 8.294 -13.744 1.00 0.00 H new ATOM 0 HB2 TRP B 76 5.993 6.638 -14.488 1.00 0.00 H new ATOM 0 HB3 TRP B 76 7.594 6.256 -15.089 1.00 0.00 H new ATOM 0 HD1 TRP B 76 5.351 5.677 -12.206 1.00 0.00 H new ATOM 0 HE1 TRP B 76 6.536 4.349 -10.337 1.00 0.00 H new ATOM 0 HE3 TRP B 76 10.132 6.120 -13.909 1.00 0.00 H new ATOM 0 HZ2 TRP B 76 9.156 3.605 -9.718 1.00 0.00 H new ATOM 0 HZ3 TRP B 76 11.941 5.067 -12.610 1.00 0.00 H new ATOM 0 HH2 TRP B 76 11.454 3.823 -10.545 1.00 0.00 H new ATOM 1243 N THR B 77 8.551 9.403 -15.957 1.00 0.00 N ATOM 1244 CA THR B 77 8.754 9.862 -17.315 1.00 0.00 C ATOM 1245 C THR B 77 9.737 8.932 -18.010 1.00 0.00 C ATOM 1246 O THR B 77 10.223 7.985 -17.389 1.00 0.00 O ATOM 1247 CB THR B 77 9.281 11.309 -17.335 1.00 0.00 C ATOM 1248 OG1 THR B 77 10.513 11.400 -16.606 1.00 0.00 O ATOM 1249 CG2 THR B 77 8.257 12.253 -16.724 1.00 0.00 C ATOM 0 H THR B 77 9.318 9.617 -15.320 1.00 0.00 H new ATOM 0 HA THR B 77 7.800 9.849 -17.842 1.00 0.00 H new ATOM 0 HB THR B 77 9.457 11.596 -18.372 1.00 0.00 H new ATOM 0 HG1 THR B 77 10.367 11.903 -15.778 1.00 0.00 H new ATOM 0 HG21 THR B 77 8.643 13.272 -16.745 1.00 0.00 H new ATOM 0 HG22 THR B 77 7.330 12.204 -17.296 1.00 0.00 H new ATOM 0 HG23 THR B 77 8.062 11.960 -15.692 1.00 0.00 H new ATOM 1257 N GLY B 78 10.027 9.188 -19.280 1.00 0.00 N ATOM 1258 CA GLY B 78 10.963 8.348 -20.007 1.00 0.00 C ATOM 1259 C GLY B 78 12.311 8.265 -19.318 1.00 0.00 C ATOM 1260 O GLY B 78 12.868 7.179 -19.142 1.00 0.00 O ATOM 0 H GLY B 78 9.633 9.959 -19.819 1.00 0.00 H new ATOM 0 HA2 GLY B 78 10.546 7.346 -20.109 1.00 0.00 H new ATOM 0 HA3 GLY B 78 11.095 8.742 -21.015 1.00 0.00 H new ATOM 1264 N ASP B 79 12.816 9.417 -18.898 1.00 0.00 N ATOM 1265 CA ASP B 79 14.109 9.495 -18.228 1.00 0.00 C ATOM 1266 C ASP B 79 14.017 8.915 -16.820 1.00 0.00 C ATOM 1267 O ASP B 79 14.914 8.203 -16.371 1.00 0.00 O ATOM 1268 CB ASP B 79 14.590 10.948 -18.150 1.00 0.00 C ATOM 1269 CG ASP B 79 14.657 11.619 -19.506 1.00 0.00 C ATOM 1270 OD1 ASP B 79 13.644 12.227 -19.920 1.00 0.00 O ATOM 1271 OD2 ASP B 79 15.719 11.554 -20.157 1.00 0.00 O ATOM 0 H ASP B 79 12.347 10.316 -19.010 1.00 0.00 H new ATOM 0 HA ASP B 79 14.825 8.914 -18.809 1.00 0.00 H new ATOM 0 HB2 ASP B 79 13.919 11.513 -17.503 1.00 0.00 H new ATOM 0 HB3 ASP B 79 15.577 10.975 -17.688 1.00 0.00 H new ATOM 1276 N GLN B 80 12.915 9.215 -16.134 1.00 0.00 N ATOM 1277 CA GLN B 80 12.718 8.769 -14.755 1.00 0.00 C ATOM 1278 C GLN B 80 12.600 7.241 -14.703 1.00 0.00 C ATOM 1279 O GLN B 80 13.116 6.601 -13.789 1.00 0.00 O ATOM 1280 CB GLN B 80 11.461 9.439 -14.168 1.00 0.00 C ATOM 1281 CG GLN B 80 11.535 9.773 -12.686 1.00 0.00 C ATOM 1282 CD GLN B 80 11.329 8.578 -11.793 1.00 0.00 C ATOM 1283 OE1 GLN B 80 12.275 7.906 -11.406 1.00 0.00 O ATOM 1284 NE2 GLN B 80 10.080 8.304 -11.454 1.00 0.00 N ATOM 0 H GLN B 80 12.144 9.766 -16.511 1.00 0.00 H new ATOM 0 HA GLN B 80 13.580 9.061 -14.155 1.00 0.00 H new ATOM 0 HB2 GLN B 80 11.267 10.358 -14.721 1.00 0.00 H new ATOM 0 HB3 GLN B 80 10.608 8.781 -14.333 1.00 0.00 H new ATOM 0 HG2 GLN B 80 12.507 10.216 -12.469 1.00 0.00 H new ATOM 0 HG3 GLN B 80 10.782 10.526 -12.453 1.00 0.00 H new ATOM 0 HE21 GLN B 80 9.318 8.889 -11.798 1.00 0.00 H new ATOM 0 HE22 GLN B 80 9.879 7.508 -10.849 1.00 0.00 H new ATOM 1293 N GLU B 81 11.951 6.653 -15.703 1.00 0.00 N ATOM 1294 CA GLU B 81 11.786 5.205 -15.747 1.00 0.00 C ATOM 1295 C GLU B 81 13.114 4.528 -16.074 1.00 0.00 C ATOM 1296 O GLU B 81 13.424 3.454 -15.554 1.00 0.00 O ATOM 1297 CB GLU B 81 10.717 4.810 -16.765 1.00 0.00 C ATOM 1298 CG GLU B 81 10.347 3.338 -16.699 1.00 0.00 C ATOM 1299 CD GLU B 81 9.220 2.975 -17.641 1.00 0.00 C ATOM 1300 OE1 GLU B 81 9.504 2.567 -18.781 1.00 0.00 O ATOM 1301 OE2 GLU B 81 8.043 3.087 -17.240 1.00 0.00 O ATOM 0 H GLU B 81 11.534 7.153 -16.488 1.00 0.00 H new ATOM 0 HA GLU B 81 11.458 4.868 -14.764 1.00 0.00 H new ATOM 0 HB2 GLU B 81 9.823 5.411 -16.597 1.00 0.00 H new ATOM 0 HB3 GLU B 81 11.074 5.044 -17.768 1.00 0.00 H new ATOM 0 HG2 GLU B 81 11.224 2.736 -16.939 1.00 0.00 H new ATOM 0 HG3 GLU B 81 10.057 3.086 -15.679 1.00 0.00 H new ATOM 1308 N LEU B 82 13.906 5.173 -16.923 1.00 0.00 N ATOM 1309 CA LEU B 82 15.238 4.680 -17.240 1.00 0.00 C ATOM 1310 C LEU B 82 16.095 4.646 -15.984 1.00 0.00 C ATOM 1311 O LEU B 82 16.915 3.744 -15.800 1.00 0.00 O ATOM 1312 CB LEU B 82 15.915 5.565 -18.283 1.00 0.00 C ATOM 1313 CG LEU B 82 17.333 5.136 -18.654 1.00 0.00 C ATOM 1314 CD1 LEU B 82 17.305 3.895 -19.535 1.00 0.00 C ATOM 1315 CD2 LEU B 82 18.077 6.271 -19.328 1.00 0.00 C ATOM 0 H LEU B 82 13.648 6.036 -17.402 1.00 0.00 H new ATOM 0 HA LEU B 82 15.135 3.673 -17.645 1.00 0.00 H new ATOM 0 HB2 LEU B 82 15.304 5.574 -19.185 1.00 0.00 H new ATOM 0 HB3 LEU B 82 15.945 6.588 -17.909 1.00 0.00 H new ATOM 0 HG LEU B 82 17.868 4.884 -17.738 1.00 0.00 H new ATOM 0 HD11 LEU B 82 18.325 3.606 -19.788 1.00 0.00 H new ATOM 0 HD12 LEU B 82 16.819 3.080 -19.000 1.00 0.00 H new ATOM 0 HD13 LEU B 82 16.751 4.110 -20.449 1.00 0.00 H new ATOM 0 HD21 LEU B 82 19.085 5.944 -19.584 1.00 0.00 H new ATOM 0 HD22 LEU B 82 17.549 6.564 -20.236 1.00 0.00 H new ATOM 0 HD23 LEU B 82 18.133 7.123 -18.650 1.00 0.00 H new ATOM 1327 N GLU B 83 15.898 5.647 -15.134 1.00 0.00 N ATOM 1328 CA GLU B 83 16.592 5.734 -13.860 1.00 0.00 C ATOM 1329 C GLU B 83 16.414 4.447 -13.061 1.00 0.00 C ATOM 1330 O GLU B 83 17.388 3.862 -12.585 1.00 0.00 O ATOM 1331 CB GLU B 83 16.062 6.929 -13.068 1.00 0.00 C ATOM 1332 CG GLU B 83 16.674 7.081 -11.689 1.00 0.00 C ATOM 1333 CD GLU B 83 16.043 8.211 -10.908 1.00 0.00 C ATOM 1334 OE1 GLU B 83 14.915 8.034 -10.407 1.00 0.00 O ATOM 1335 OE2 GLU B 83 16.675 9.281 -10.788 1.00 0.00 O ATOM 0 H GLU B 83 15.254 6.418 -15.310 1.00 0.00 H new ATOM 0 HA GLU B 83 17.657 5.872 -14.047 1.00 0.00 H new ATOM 0 HB2 GLU B 83 16.247 7.839 -13.638 1.00 0.00 H new ATOM 0 HB3 GLU B 83 14.981 6.832 -12.965 1.00 0.00 H new ATOM 0 HG2 GLU B 83 16.557 6.149 -11.136 1.00 0.00 H new ATOM 0 HG3 GLU B 83 17.745 7.261 -11.786 1.00 0.00 H new ATOM 1342 N LEU B 84 15.167 3.999 -12.942 1.00 0.00 N ATOM 1343 CA LEU B 84 14.866 2.759 -12.241 1.00 0.00 C ATOM 1344 C LEU B 84 15.566 1.587 -12.909 1.00 0.00 C ATOM 1345 O LEU B 84 16.218 0.788 -12.243 1.00 0.00 O ATOM 1346 CB LEU B 84 13.363 2.497 -12.215 1.00 0.00 C ATOM 1347 CG LEU B 84 12.941 1.197 -11.517 1.00 0.00 C ATOM 1348 CD1 LEU B 84 13.221 1.267 -10.023 1.00 0.00 C ATOM 1349 CD2 LEU B 84 11.471 0.904 -11.765 1.00 0.00 C ATOM 0 H LEU B 84 14.351 4.478 -13.323 1.00 0.00 H new ATOM 0 HA LEU B 84 15.226 2.862 -11.217 1.00 0.00 H new ATOM 0 HB2 LEU B 84 12.873 3.334 -11.718 1.00 0.00 H new ATOM 0 HB3 LEU B 84 12.996 2.476 -13.241 1.00 0.00 H new ATOM 0 HG LEU B 84 13.531 0.384 -11.939 1.00 0.00 H new ATOM 0 HD11 LEU B 84 12.913 0.334 -9.551 1.00 0.00 H new ATOM 0 HD12 LEU B 84 14.288 1.422 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU B 84 12.663 2.096 -9.587 1.00 0.00 H new ATOM 0 HD21 LEU B 84 11.194 -0.022 -11.261 1.00 0.00 H new ATOM 0 HD22 LEU B 84 10.866 1.723 -11.377 1.00 0.00 H new ATOM 0 HD23 LEU B 84 11.296 0.800 -12.836 1.00 0.00 H new ATOM 1361 N GLN B 85 15.431 1.506 -14.230 1.00 0.00 N ATOM 1362 CA GLN B 85 16.015 0.416 -15.001 1.00 0.00 C ATOM 1363 C GLN B 85 17.513 0.301 -14.736 1.00 0.00 C ATOM 1364 O GLN B 85 18.020 -0.784 -14.466 1.00 0.00 O ATOM 1365 CB GLN B 85 15.755 0.631 -16.498 1.00 0.00 C ATOM 1366 CG GLN B 85 16.229 -0.516 -17.382 1.00 0.00 C ATOM 1367 CD GLN B 85 17.398 -0.148 -18.277 1.00 0.00 C ATOM 1368 OE1 GLN B 85 18.260 0.739 -17.811 1.00 0.00 O flip ATOM 1369 NE2 GLN B 85 17.532 -0.670 -19.382 1.00 0.00 N flip ATOM 0 H GLN B 85 14.919 2.187 -14.790 1.00 0.00 H new ATOM 0 HA GLN B 85 15.543 -0.515 -14.688 1.00 0.00 H new ATOM 0 HB2 GLN B 85 14.686 0.777 -16.653 1.00 0.00 H new ATOM 0 HB3 GLN B 85 16.251 1.548 -16.814 1.00 0.00 H new ATOM 0 HG2 GLN B 85 16.516 -1.356 -16.750 1.00 0.00 H new ATOM 0 HG3 GLN B 85 15.399 -0.853 -18.003 1.00 0.00 H new ATOM 0 HE21 GLN B 85 16.848 -1.351 -19.711 1.00 0.00 H new ATOM 0 HE22 GLN B 85 18.328 -0.422 -19.970 1.00 0.00 H new ATOM 1378 N ARG B 86 18.214 1.428 -14.802 1.00 0.00 N ATOM 1379 CA ARG B 86 19.656 1.431 -14.594 1.00 0.00 C ATOM 1380 C ARG B 86 20.005 1.071 -13.154 1.00 0.00 C ATOM 1381 O ARG B 86 20.839 0.199 -12.913 1.00 0.00 O ATOM 1382 CB ARG B 86 20.250 2.793 -14.949 1.00 0.00 C ATOM 1383 CG ARG B 86 20.041 3.192 -16.401 1.00 0.00 C ATOM 1384 CD ARG B 86 20.740 4.506 -16.722 1.00 0.00 C ATOM 1385 NE ARG B 86 22.185 4.429 -16.501 1.00 0.00 N ATOM 1386 CZ ARG B 86 22.860 5.214 -15.659 1.00 0.00 C ATOM 1387 NH1 ARG B 86 22.228 6.134 -14.939 1.00 0.00 N ATOM 1388 NH2 ARG B 86 24.173 5.076 -15.536 1.00 0.00 N ATOM 0 H ARG B 86 17.810 2.344 -14.996 1.00 0.00 H new ATOM 0 HA ARG B 86 20.086 0.676 -15.252 1.00 0.00 H new ATOM 0 HB2 ARG B 86 19.805 3.552 -14.305 1.00 0.00 H new ATOM 0 HB3 ARG B 86 21.319 2.780 -14.735 1.00 0.00 H new ATOM 0 HG2 ARG B 86 20.422 2.407 -17.054 1.00 0.00 H new ATOM 0 HG3 ARG B 86 18.974 3.286 -16.604 1.00 0.00 H new ATOM 0 HD2 ARG B 86 20.546 4.775 -17.760 1.00 0.00 H new ATOM 0 HD3 ARG B 86 20.321 5.300 -16.104 1.00 0.00 H new ATOM 0 HE ARG B 86 22.711 3.729 -17.025 1.00 0.00 H new ATOM 0 HH11 ARG B 86 21.218 6.245 -15.027 1.00 0.00 H new ATOM 0 HH12 ARG B 86 22.753 6.729 -14.298 1.00 0.00 H new ATOM 0 HH21 ARG B 86 24.665 4.371 -16.084 1.00 0.00 H new ATOM 0 HH22 ARG B 86 24.691 5.675 -14.893 1.00 0.00 H new ATOM 1402 N LEU B 87 19.353 1.735 -12.206 1.00 0.00 N ATOM 1403 CA LEU B 87 19.664 1.560 -10.790 1.00 0.00 C ATOM 1404 C LEU B 87 19.370 0.128 -10.334 1.00 0.00 C ATOM 1405 O LEU B 87 20.136 -0.456 -9.567 1.00 0.00 O ATOM 1406 CB LEU B 87 18.869 2.566 -9.952 1.00 0.00 C ATOM 1407 CG LEU B 87 19.469 2.887 -8.580 1.00 0.00 C ATOM 1408 CD1 LEU B 87 20.789 3.624 -8.734 1.00 0.00 C ATOM 1409 CD2 LEU B 87 18.499 3.709 -7.746 1.00 0.00 C ATOM 0 H LEU B 87 18.604 2.401 -12.392 1.00 0.00 H new ATOM 0 HA LEU B 87 20.729 1.743 -10.646 1.00 0.00 H new ATOM 0 HB2 LEU B 87 18.777 3.494 -10.517 1.00 0.00 H new ATOM 0 HB3 LEU B 87 17.860 2.179 -9.809 1.00 0.00 H new ATOM 0 HG LEU B 87 19.655 1.946 -8.062 1.00 0.00 H new ATOM 0 HD11 LEU B 87 21.200 3.844 -7.749 1.00 0.00 H new ATOM 0 HD12 LEU B 87 21.491 3.002 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU B 87 20.624 4.556 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU B 87 18.946 3.925 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU B 87 18.279 4.644 -8.261 1.00 0.00 H new ATOM 0 HD23 LEU B 87 17.576 3.147 -7.603 1.00 0.00 H new ATOM 1421 N PHE B 88 18.259 -0.428 -10.812 1.00 0.00 N ATOM 1422 CA PHE B 88 17.900 -1.822 -10.555 1.00 0.00 C ATOM 1423 C PHE B 88 19.053 -2.777 -10.886 1.00 0.00 C ATOM 1424 O PHE B 88 19.415 -3.628 -10.075 1.00 0.00 O ATOM 1425 CB PHE B 88 16.656 -2.173 -11.379 1.00 0.00 C ATOM 1426 CG PHE B 88 16.333 -3.639 -11.453 1.00 0.00 C ATOM 1427 CD1 PHE B 88 16.567 -4.344 -12.621 1.00 0.00 C ATOM 1428 CD2 PHE B 88 15.785 -4.309 -10.371 1.00 0.00 C ATOM 1429 CE1 PHE B 88 16.262 -5.685 -12.714 1.00 0.00 C ATOM 1430 CE2 PHE B 88 15.479 -5.655 -10.457 1.00 0.00 C ATOM 1431 CZ PHE B 88 15.718 -6.341 -11.632 1.00 0.00 C ATOM 0 H PHE B 88 17.583 0.074 -11.388 1.00 0.00 H new ATOM 0 HA PHE B 88 17.687 -1.938 -9.492 1.00 0.00 H new ATOM 0 HB2 PHE B 88 15.799 -1.649 -10.956 1.00 0.00 H new ATOM 0 HB3 PHE B 88 16.792 -1.795 -12.392 1.00 0.00 H new ATOM 0 HD1 PHE B 88 16.995 -3.836 -13.472 1.00 0.00 H new ATOM 0 HD2 PHE B 88 15.595 -3.775 -9.452 1.00 0.00 H new ATOM 0 HE1 PHE B 88 16.449 -6.220 -13.633 1.00 0.00 H new ATOM 0 HE2 PHE B 88 15.054 -6.169 -9.607 1.00 0.00 H new ATOM 0 HZ PHE B 88 15.478 -7.392 -11.702 1.00 0.00 H new ATOM 1441 N GLU B 89 19.641 -2.610 -12.062 1.00 0.00 N ATOM 1442 CA GLU B 89 20.727 -3.476 -12.524 1.00 0.00 C ATOM 1443 C GLU B 89 21.989 -3.261 -11.705 1.00 0.00 C ATOM 1444 O GLU B 89 22.842 -4.145 -11.596 1.00 0.00 O ATOM 1445 CB GLU B 89 21.008 -3.176 -13.987 1.00 0.00 C ATOM 1446 CG GLU B 89 19.789 -3.367 -14.853 1.00 0.00 C ATOM 1447 CD GLU B 89 19.594 -4.810 -15.269 1.00 0.00 C ATOM 1448 OE1 GLU B 89 20.039 -5.171 -16.377 1.00 0.00 O ATOM 1449 OE2 GLU B 89 19.000 -5.589 -14.497 1.00 0.00 O ATOM 0 H GLU B 89 19.384 -1.876 -12.722 1.00 0.00 H new ATOM 0 HA GLU B 89 20.422 -4.515 -12.403 1.00 0.00 H new ATOM 0 HB2 GLU B 89 21.363 -2.150 -14.084 1.00 0.00 H new ATOM 0 HB3 GLU B 89 21.809 -3.825 -14.342 1.00 0.00 H new ATOM 0 HG2 GLU B 89 18.906 -3.025 -14.313 1.00 0.00 H new ATOM 0 HG3 GLU B 89 19.878 -2.744 -15.743 1.00 0.00 H new ATOM 1456 N GLU B 90 22.081 -2.086 -11.123 1.00 0.00 N ATOM 1457 CA GLU B 90 23.248 -1.675 -10.370 1.00 0.00 C ATOM 1458 C GLU B 90 23.287 -2.316 -8.982 1.00 0.00 C ATOM 1459 O GLU B 90 24.353 -2.696 -8.498 1.00 0.00 O ATOM 1460 CB GLU B 90 23.236 -0.155 -10.261 1.00 0.00 C ATOM 1461 CG GLU B 90 23.653 0.550 -11.541 1.00 0.00 C ATOM 1462 CD GLU B 90 25.091 0.279 -11.941 1.00 0.00 C ATOM 1463 OE1 GLU B 90 25.391 -0.846 -12.394 1.00 0.00 O ATOM 1464 OE2 GLU B 90 25.924 1.204 -11.843 1.00 0.00 O ATOM 0 H GLU B 90 21.343 -1.383 -11.158 1.00 0.00 H new ATOM 0 HA GLU B 90 24.144 -2.010 -10.892 1.00 0.00 H new ATOM 0 HB2 GLU B 90 22.234 0.173 -9.985 1.00 0.00 H new ATOM 0 HB3 GLU B 90 23.904 0.148 -9.455 1.00 0.00 H new ATOM 0 HG2 GLU B 90 22.994 0.236 -12.350 1.00 0.00 H new ATOM 0 HG3 GLU B 90 23.515 1.624 -11.416 1.00 0.00 H new ATOM 1471 N PHE B 91 22.126 -2.450 -8.349 1.00 0.00 N ATOM 1472 CA PHE B 91 22.066 -2.969 -6.983 1.00 0.00 C ATOM 1473 C PHE B 91 21.506 -4.385 -6.927 1.00 0.00 C ATOM 1474 O PHE B 91 21.328 -4.941 -5.842 1.00 0.00 O ATOM 1475 CB PHE B 91 21.216 -2.058 -6.094 1.00 0.00 C ATOM 1476 CG PHE B 91 21.803 -0.692 -5.884 1.00 0.00 C ATOM 1477 CD1 PHE B 91 21.037 0.443 -6.083 1.00 0.00 C ATOM 1478 CD2 PHE B 91 23.119 -0.546 -5.481 1.00 0.00 C ATOM 1479 CE1 PHE B 91 21.572 1.699 -5.882 1.00 0.00 C ATOM 1480 CE2 PHE B 91 23.661 0.707 -5.282 1.00 0.00 C ATOM 1481 CZ PHE B 91 22.887 1.832 -5.482 1.00 0.00 C ATOM 0 H PHE B 91 21.221 -2.210 -8.753 1.00 0.00 H new ATOM 0 HA PHE B 91 23.092 -2.993 -6.615 1.00 0.00 H new ATOM 0 HB2 PHE B 91 20.227 -1.953 -6.539 1.00 0.00 H new ATOM 0 HB3 PHE B 91 21.080 -2.537 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE B 91 20.009 0.345 -6.399 1.00 0.00 H new ATOM 0 HD2 PHE B 91 23.729 -1.423 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE B 91 20.963 2.577 -6.037 1.00 0.00 H new ATOM 0 HE2 PHE B 91 24.690 0.807 -4.970 1.00 0.00 H new ATOM 0 HZ PHE B 91 23.309 2.814 -5.326 1.00 0.00 H new ATOM 1491 N ARG B 92 21.242 -4.979 -8.081 1.00 0.00 N ATOM 1492 CA ARG B 92 20.631 -6.307 -8.121 1.00 0.00 C ATOM 1493 C ARG B 92 21.624 -7.395 -7.731 1.00 0.00 C ATOM 1494 O ARG B 92 21.240 -8.539 -7.515 1.00 0.00 O ATOM 1495 CB ARG B 92 20.010 -6.605 -9.488 1.00 0.00 C ATOM 1496 CG ARG B 92 20.998 -6.612 -10.637 1.00 0.00 C ATOM 1497 CD ARG B 92 20.314 -6.986 -11.940 1.00 0.00 C ATOM 1498 NE ARG B 92 19.835 -8.365 -11.929 1.00 0.00 N ATOM 1499 CZ ARG B 92 18.916 -8.844 -12.765 1.00 0.00 C ATOM 1500 NH1 ARG B 92 18.391 -8.068 -13.707 1.00 0.00 N ATOM 1501 NH2 ARG B 92 18.533 -10.110 -12.666 1.00 0.00 N ATOM 0 H ARG B 92 21.437 -4.571 -8.995 1.00 0.00 H new ATOM 0 HA ARG B 92 19.828 -6.306 -7.384 1.00 0.00 H new ATOM 0 HB2 ARG B 92 19.515 -7.575 -9.445 1.00 0.00 H new ATOM 0 HB3 ARG B 92 19.239 -5.862 -9.693 1.00 0.00 H new ATOM 0 HG2 ARG B 92 21.457 -5.628 -10.732 1.00 0.00 H new ATOM 0 HG3 ARG B 92 21.800 -7.319 -10.427 1.00 0.00 H new ATOM 0 HD2 ARG B 92 19.475 -6.312 -12.116 1.00 0.00 H new ATOM 0 HD3 ARG B 92 21.011 -6.851 -12.767 1.00 0.00 H new ATOM 0 HE ARG B 92 20.229 -9.002 -11.237 1.00 0.00 H new ATOM 0 HH11 ARG B 92 18.691 -7.097 -13.794 1.00 0.00 H new ATOM 0 HH12 ARG B 92 17.688 -8.443 -14.343 1.00 0.00 H new ATOM 0 HH21 ARG B 92 18.942 -10.712 -11.952 1.00 0.00 H new ATOM 0 HH22 ARG B 92 17.829 -10.481 -13.304 1.00 0.00 H new ATOM 1515 N ASP B 93 22.901 -7.038 -7.643 1.00 0.00 N ATOM 1516 CA ASP B 93 23.930 -7.980 -7.203 1.00 0.00 C ATOM 1517 C ASP B 93 23.849 -8.214 -5.697 1.00 0.00 C ATOM 1518 O ASP B 93 24.635 -8.979 -5.131 1.00 0.00 O ATOM 1519 CB ASP B 93 25.324 -7.474 -7.577 1.00 0.00 C ATOM 1520 CG ASP B 93 25.595 -7.565 -9.063 1.00 0.00 C ATOM 1521 OD1 ASP B 93 25.383 -6.564 -9.773 1.00 0.00 O ATOM 1522 OD2 ASP B 93 26.018 -8.645 -9.529 1.00 0.00 O ATOM 0 H ASP B 93 23.250 -6.107 -7.869 1.00 0.00 H new ATOM 0 HA ASP B 93 23.751 -8.927 -7.712 1.00 0.00 H new ATOM 0 HB2 ASP B 93 25.429 -6.438 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP B 93 26.074 -8.053 -7.038 1.00 0.00 H new ATOM 1527 N SER B 94 22.901 -7.547 -5.053 1.00 0.00 N ATOM 1528 CA SER B 94 22.669 -7.720 -3.630 1.00 0.00 C ATOM 1529 C SER B 94 21.400 -8.549 -3.412 1.00 0.00 C ATOM 1530 O SER B 94 20.700 -8.883 -4.372 1.00 0.00 O ATOM 1531 CB SER B 94 22.555 -6.349 -2.952 1.00 0.00 C ATOM 1532 OG SER B 94 22.620 -6.462 -1.540 1.00 0.00 O ATOM 0 H SER B 94 22.276 -6.876 -5.500 1.00 0.00 H new ATOM 0 HA SER B 94 23.508 -8.253 -3.183 1.00 0.00 H new ATOM 0 HB2 SER B 94 23.357 -5.700 -3.304 1.00 0.00 H new ATOM 0 HB3 SER B 94 21.615 -5.877 -3.238 1.00 0.00 H new ATOM 0 HG SER B 94 23.017 -5.649 -1.165 1.00 0.00 H new ATOM 1538 N ASP B 95 21.107 -8.881 -2.159 1.00 0.00 N ATOM 1539 CA ASP B 95 19.958 -9.726 -1.839 1.00 0.00 C ATOM 1540 C ASP B 95 18.654 -8.937 -1.919 1.00 0.00 C ATOM 1541 O ASP B 95 17.608 -9.478 -2.282 1.00 0.00 O ATOM 1542 CB ASP B 95 20.106 -10.347 -0.443 1.00 0.00 C ATOM 1543 CG ASP B 95 19.990 -9.331 0.681 1.00 0.00 C ATOM 1544 OD1 ASP B 95 18.878 -9.160 1.226 1.00 0.00 O ATOM 1545 OD2 ASP B 95 21.014 -8.706 1.034 1.00 0.00 O ATOM 0 H ASP B 95 21.647 -8.579 -1.348 1.00 0.00 H new ATOM 0 HA ASP B 95 19.925 -10.526 -2.578 1.00 0.00 H new ATOM 0 HB2 ASP B 95 19.342 -11.114 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP B 95 21.073 -10.845 -0.375 1.00 0.00 H new ATOM 1550 N ASP B 96 18.712 -7.662 -1.571 1.00 0.00 N ATOM 1551 CA ASP B 96 17.539 -6.805 -1.633 1.00 0.00 C ATOM 1552 C ASP B 96 17.844 -5.588 -2.486 1.00 0.00 C ATOM 1553 O ASP B 96 18.456 -4.626 -2.023 1.00 0.00 O ATOM 1554 CB ASP B 96 17.105 -6.373 -0.229 1.00 0.00 C ATOM 1555 CG ASP B 96 15.778 -5.638 -0.222 1.00 0.00 C ATOM 1556 OD1 ASP B 96 15.774 -4.401 -0.403 1.00 0.00 O ATOM 1557 OD2 ASP B 96 14.734 -6.292 -0.001 1.00 0.00 O ATOM 0 H ASP B 96 19.559 -7.197 -1.243 1.00 0.00 H new ATOM 0 HA ASP B 96 16.719 -7.365 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP B 96 17.031 -7.253 0.410 1.00 0.00 H new ATOM 0 HB3 ASP B 96 17.873 -5.730 0.202 1.00 0.00 H new ATOM 1562 N VAL B 97 17.447 -5.647 -3.743 1.00 0.00 N ATOM 1563 CA VAL B 97 17.748 -4.576 -4.679 1.00 0.00 C ATOM 1564 C VAL B 97 16.833 -3.377 -4.453 1.00 0.00 C ATOM 1565 O VAL B 97 17.271 -2.230 -4.533 1.00 0.00 O ATOM 1566 CB VAL B 97 17.648 -5.056 -6.151 1.00 0.00 C ATOM 1567 CG1 VAL B 97 16.257 -5.560 -6.489 1.00 0.00 C ATOM 1568 CG2 VAL B 97 18.052 -3.950 -7.113 1.00 0.00 C ATOM 0 H VAL B 97 16.917 -6.422 -4.141 1.00 0.00 H new ATOM 0 HA VAL B 97 18.777 -4.269 -4.494 1.00 0.00 H new ATOM 0 HB VAL B 97 18.342 -5.890 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL B 97 16.231 -5.886 -7.529 1.00 0.00 H new ATOM 0 HG12 VAL B 97 16.006 -6.398 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL B 97 15.534 -4.758 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL B 97 17.973 -4.312 -8.138 1.00 0.00 H new ATOM 0 HG22 VAL B 97 17.392 -3.093 -6.979 1.00 0.00 H new ATOM 0 HG23 VAL B 97 19.081 -3.651 -6.912 1.00 0.00 H new ATOM 1578 N LEU B 98 15.580 -3.654 -4.118 1.00 0.00 N ATOM 1579 CA LEU B 98 14.560 -2.616 -4.043 1.00 0.00 C ATOM 1580 C LEU B 98 14.836 -1.621 -2.924 1.00 0.00 C ATOM 1581 O LEU B 98 14.682 -0.415 -3.115 1.00 0.00 O ATOM 1582 CB LEU B 98 13.178 -3.236 -3.862 1.00 0.00 C ATOM 1583 CG LEU B 98 12.205 -2.962 -5.007 1.00 0.00 C ATOM 1584 CD1 LEU B 98 12.647 -3.658 -6.283 1.00 0.00 C ATOM 1585 CD2 LEU B 98 10.804 -3.392 -4.631 1.00 0.00 C ATOM 0 H LEU B 98 15.245 -4.591 -3.893 1.00 0.00 H new ATOM 0 HA LEU B 98 14.589 -2.069 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU B 98 13.290 -4.314 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU B 98 12.744 -2.860 -2.935 1.00 0.00 H new ATOM 0 HG LEU B 98 12.203 -1.888 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU B 98 11.934 -3.444 -7.080 1.00 0.00 H new ATOM 0 HD12 LEU B 98 13.634 -3.296 -6.572 1.00 0.00 H new ATOM 0 HD13 LEU B 98 12.690 -4.734 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU B 98 10.126 -3.188 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU B 98 10.798 -4.460 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU B 98 10.477 -2.838 -3.751 1.00 0.00 H new ATOM 1597 N GLY B 99 15.255 -2.117 -1.768 1.00 0.00 N ATOM 1598 CA GLY B 99 15.541 -1.239 -0.649 1.00 0.00 C ATOM 1599 C GLY B 99 16.688 -0.295 -0.943 1.00 0.00 C ATOM 1600 O GLY B 99 16.707 0.840 -0.469 1.00 0.00 O ATOM 0 H GLY B 99 15.402 -3.109 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY B 99 14.650 -0.661 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY B 99 15.782 -1.838 0.229 1.00 0.00 H new ATOM 1604 N HIS B 100 17.630 -0.759 -1.753 1.00 0.00 N ATOM 1605 CA HIS B 100 18.791 0.042 -2.119 1.00 0.00 C ATOM 1606 C HIS B 100 18.374 1.098 -3.133 1.00 0.00 C ATOM 1607 O HIS B 100 18.925 2.195 -3.170 1.00 0.00 O ATOM 1608 CB HIS B 100 19.909 -0.845 -2.690 1.00 0.00 C ATOM 1609 CG HIS B 100 20.483 -1.820 -1.701 1.00 0.00 C ATOM 1610 ND1 HIS B 100 21.780 -2.285 -1.763 1.00 0.00 N ATOM 1611 CD2 HIS B 100 19.920 -2.438 -0.636 1.00 0.00 C ATOM 1612 CE1 HIS B 100 21.981 -3.146 -0.783 1.00 0.00 C ATOM 1613 NE2 HIS B 100 20.870 -3.258 -0.085 1.00 0.00 N ATOM 0 H HIS B 100 17.613 -1.689 -2.171 1.00 0.00 H new ATOM 0 HA HIS B 100 19.180 0.533 -1.227 1.00 0.00 H new ATOM 0 HB2 HIS B 100 19.519 -1.398 -3.545 1.00 0.00 H new ATOM 0 HB3 HIS B 100 20.710 -0.207 -3.062 1.00 0.00 H new ATOM 0 HD2 HIS B 100 18.907 -2.308 -0.285 1.00 0.00 H new ATOM 0 HE1 HIS B 100 22.904 -3.672 -0.586 1.00 0.00 H new ATOM 0 HE2 HIS B 100 20.738 -3.856 0.731 1.00 0.00 H new ATOM 1622 N ILE B 101 17.382 0.748 -3.946 1.00 0.00 N ATOM 1623 CA ILE B 101 16.769 1.694 -4.868 1.00 0.00 C ATOM 1624 C ILE B 101 16.178 2.860 -4.091 1.00 0.00 C ATOM 1625 O ILE B 101 16.501 4.014 -4.342 1.00 0.00 O ATOM 1626 CB ILE B 101 15.635 1.033 -5.693 1.00 0.00 C ATOM 1627 CG1 ILE B 101 16.157 -0.173 -6.479 1.00 0.00 C ATOM 1628 CG2 ILE B 101 14.987 2.043 -6.634 1.00 0.00 C ATOM 1629 CD1 ILE B 101 17.268 0.157 -7.448 1.00 0.00 C ATOM 0 H ILE B 101 16.984 -0.191 -3.984 1.00 0.00 H new ATOM 0 HA ILE B 101 17.547 2.038 -5.549 1.00 0.00 H new ATOM 0 HB ILE B 101 14.877 0.681 -4.993 1.00 0.00 H new ATOM 0 HG12 ILE B 101 16.514 -0.925 -5.775 1.00 0.00 H new ATOM 0 HG13 ILE B 101 15.330 -0.620 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE B 101 14.195 1.555 -7.202 1.00 0.00 H new ATOM 0 HG22 ILE B 101 14.565 2.863 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE B 101 15.738 2.434 -7.321 1.00 0.00 H new ATOM 0 HD11 ILE B 101 17.582 -0.750 -7.965 1.00 0.00 H new ATOM 0 HD12 ILE B 101 16.911 0.885 -8.177 1.00 0.00 H new ATOM 0 HD13 ILE B 101 18.114 0.575 -6.903 1.00 0.00 H new ATOM 1641 N MET B 102 15.342 2.530 -3.114 1.00 0.00 N ATOM 1642 CA MET B 102 14.589 3.526 -2.355 1.00 0.00 C ATOM 1643 C MET B 102 15.515 4.384 -1.505 1.00 0.00 C ATOM 1644 O MET B 102 15.300 5.585 -1.343 1.00 0.00 O ATOM 1645 CB MET B 102 13.581 2.831 -1.440 1.00 0.00 C ATOM 1646 CG MET B 102 12.819 1.709 -2.118 1.00 0.00 C ATOM 1647 SD MET B 102 12.047 0.577 -0.949 1.00 0.00 S ATOM 1648 CE MET B 102 10.672 1.576 -0.398 1.00 0.00 C ATOM 0 H MET B 102 15.166 1.568 -2.825 1.00 0.00 H new ATOM 0 HA MET B 102 14.070 4.166 -3.068 1.00 0.00 H new ATOM 0 HB2 MET B 102 14.106 2.430 -0.573 1.00 0.00 H new ATOM 0 HB3 MET B 102 12.870 3.569 -1.069 1.00 0.00 H new ATOM 0 HG2 MET B 102 12.051 2.136 -2.763 1.00 0.00 H new ATOM 0 HG3 MET B 102 13.500 1.151 -2.760 1.00 0.00 H new ATOM 0 HE1 MET B 102 10.227 1.125 0.489 1.00 0.00 H new ATOM 0 HE2 MET B 102 11.025 2.579 -0.157 1.00 0.00 H new ATOM 0 HE3 MET B 102 9.925 1.635 -1.189 1.00 0.00 H new ATOM 1658 N LYS B 103 16.547 3.760 -0.966 1.00 0.00 N ATOM 1659 CA LYS B 103 17.424 4.422 -0.013 1.00 0.00 C ATOM 1660 C LYS B 103 18.442 5.318 -0.715 1.00 0.00 C ATOM 1661 O LYS B 103 19.046 6.189 -0.088 1.00 0.00 O ATOM 1662 CB LYS B 103 18.151 3.377 0.833 1.00 0.00 C ATOM 1663 CG LYS B 103 18.219 3.721 2.311 1.00 0.00 C ATOM 1664 CD LYS B 103 16.837 3.680 2.948 1.00 0.00 C ATOM 1665 CE LYS B 103 16.898 3.938 4.443 1.00 0.00 C ATOM 1666 NZ LYS B 103 17.684 2.894 5.152 1.00 0.00 N ATOM 0 H LYS B 103 16.800 2.793 -1.172 1.00 0.00 H new ATOM 0 HA LYS B 103 16.808 5.053 0.628 1.00 0.00 H new ATOM 0 HB2 LYS B 103 17.649 2.416 0.716 1.00 0.00 H new ATOM 0 HB3 LYS B 103 19.165 3.256 0.451 1.00 0.00 H new ATOM 0 HG2 LYS B 103 18.879 3.019 2.821 1.00 0.00 H new ATOM 0 HG3 LYS B 103 18.651 4.714 2.437 1.00 0.00 H new ATOM 0 HD2 LYS B 103 16.197 4.426 2.476 1.00 0.00 H new ATOM 0 HD3 LYS B 103 16.381 2.707 2.765 1.00 0.00 H new ATOM 0 HE2 LYS B 103 17.345 4.915 4.625 1.00 0.00 H new ATOM 0 HE3 LYS B 103 15.887 3.969 4.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 17.497 2.952 6.173 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 17.408 1.954 4.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 18.698 3.044 4.977 1.00 0.00 H new ATOM 1680 N ASN B 104 18.645 5.094 -2.006 1.00 0.00 N ATOM 1681 CA ASN B 104 19.640 5.855 -2.758 1.00 0.00 C ATOM 1682 C ASN B 104 18.997 6.669 -3.886 1.00 0.00 C ATOM 1683 O ASN B 104 19.692 7.230 -4.736 1.00 0.00 O ATOM 1684 CB ASN B 104 20.680 4.900 -3.346 1.00 0.00 C ATOM 1685 CG ASN B 104 21.924 5.618 -3.829 1.00 0.00 C ATOM 1686 OD1 ASN B 104 22.339 6.628 -3.252 1.00 0.00 O ATOM 1687 ND2 ASN B 104 22.524 5.111 -4.891 1.00 0.00 N ATOM 0 H ASN B 104 18.139 4.397 -2.553 1.00 0.00 H new ATOM 0 HA ASN B 104 20.118 6.552 -2.070 1.00 0.00 H new ATOM 0 HB2 ASN B 104 20.959 4.164 -2.592 1.00 0.00 H new ATOM 0 HB3 ASN B 104 20.236 4.352 -4.177 1.00 0.00 H new ATOM 0 HD21 ASN B 104 23.363 5.556 -5.264 1.00 0.00 H new ATOM 0 HD22 ASN B 104 22.148 4.275 -5.338 1.00 0.00 H new ATOM 1694 N ILE B 105 17.676 6.755 -3.886 1.00 0.00 N ATOM 1695 CA ILE B 105 16.970 7.364 -5.005 1.00 0.00 C ATOM 1696 C ILE B 105 16.597 8.818 -4.722 1.00 0.00 C ATOM 1697 O ILE B 105 16.555 9.262 -3.571 1.00 0.00 O ATOM 1698 CB ILE B 105 15.709 6.553 -5.379 1.00 0.00 C ATOM 1699 CG1 ILE B 105 15.183 6.947 -6.759 1.00 0.00 C ATOM 1700 CG2 ILE B 105 14.621 6.705 -4.328 1.00 0.00 C ATOM 1701 CD1 ILE B 105 16.120 6.566 -7.882 1.00 0.00 C ATOM 0 H ILE B 105 17.076 6.416 -3.134 1.00 0.00 H new ATOM 0 HA ILE B 105 17.655 7.353 -5.852 1.00 0.00 H new ATOM 0 HB ILE B 105 15.999 5.503 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE B 105 14.217 6.470 -6.923 1.00 0.00 H new ATOM 0 HG13 ILE B 105 15.015 8.024 -6.783 1.00 0.00 H new ATOM 0 HG21 ILE B 105 13.748 6.122 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE B 105 14.991 6.347 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE B 105 14.343 7.755 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE B 105 15.689 6.873 -8.835 1.00 0.00 H new ATOM 0 HD12 ILE B 105 17.079 7.064 -7.740 1.00 0.00 H new ATOM 0 HD13 ILE B 105 16.268 5.486 -7.882 1.00 0.00 H new ATOM 1713 N THR B 106 16.349 9.548 -5.798 1.00 0.00 N ATOM 1714 CA THR B 106 15.993 10.954 -5.736 1.00 0.00 C ATOM 1715 C THR B 106 14.513 11.144 -5.377 1.00 0.00 C ATOM 1716 O THR B 106 14.120 12.176 -4.827 1.00 0.00 O ATOM 1717 CB THR B 106 16.301 11.617 -7.099 1.00 0.00 C ATOM 1718 OG1 THR B 106 16.404 13.040 -6.963 1.00 0.00 O ATOM 1719 CG2 THR B 106 15.239 11.279 -8.148 1.00 0.00 C ATOM 0 H THR B 106 16.390 9.176 -6.747 1.00 0.00 H new ATOM 0 HA THR B 106 16.584 11.427 -4.952 1.00 0.00 H new ATOM 0 HB THR B 106 17.257 11.217 -7.437 1.00 0.00 H new ATOM 0 HG1 THR B 106 16.601 13.439 -7.836 1.00 0.00 H new ATOM 0 HG21 THR B 106 15.492 11.764 -9.091 1.00 0.00 H new ATOM 0 HG22 THR B 106 15.202 10.199 -8.293 1.00 0.00 H new ATOM 0 HG23 THR B 106 14.266 11.633 -7.808 1.00 0.00 H new ATOM 1727 N ALA B 107 13.706 10.129 -5.663 1.00 0.00 N ATOM 1728 CA ALA B 107 12.261 10.224 -5.494 1.00 0.00 C ATOM 1729 C ALA B 107 11.806 9.515 -4.227 1.00 0.00 C ATOM 1730 O ALA B 107 12.580 8.808 -3.588 1.00 0.00 O ATOM 1731 CB ALA B 107 11.557 9.618 -6.699 1.00 0.00 C ATOM 0 H ALA B 107 14.029 9.228 -6.014 1.00 0.00 H new ATOM 0 HA ALA B 107 12.001 11.279 -5.409 1.00 0.00 H new ATOM 0 HB1 ALA B 107 10.478 9.693 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA B 107 11.849 10.157 -7.600 1.00 0.00 H new ATOM 0 HB3 ALA B 107 11.839 8.570 -6.796 1.00 0.00 H new ATOM 1737 N LYS B 108 10.549 9.709 -3.863 1.00 0.00 N ATOM 1738 CA LYS B 108 9.958 8.946 -2.779 1.00 0.00 C ATOM 1739 C LYS B 108 9.281 7.721 -3.357 1.00 0.00 C ATOM 1740 O LYS B 108 8.204 7.806 -3.949 1.00 0.00 O ATOM 1741 CB LYS B 108 8.954 9.786 -1.988 1.00 0.00 C ATOM 1742 CG LYS B 108 9.523 11.085 -1.430 1.00 0.00 C ATOM 1743 CD LYS B 108 10.276 10.902 -0.112 1.00 0.00 C ATOM 1744 CE LYS B 108 11.591 10.149 -0.278 1.00 0.00 C ATOM 1745 NZ LYS B 108 12.500 10.362 0.877 1.00 0.00 N ATOM 0 H LYS B 108 9.922 10.385 -4.300 1.00 0.00 H new ATOM 0 HA LYS B 108 10.745 8.645 -2.088 1.00 0.00 H new ATOM 0 HB2 LYS B 108 8.108 10.022 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS B 108 8.569 9.188 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS B 108 10.196 11.524 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS B 108 8.709 11.794 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS B 108 10.476 11.880 0.325 1.00 0.00 H new ATOM 0 HD3 LYS B 108 9.641 10.363 0.591 1.00 0.00 H new ATOM 0 HE2 LYS B 108 11.388 9.084 -0.389 1.00 0.00 H new ATOM 0 HE3 LYS B 108 12.084 10.476 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS B 108 13.383 9.834 0.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 108 12.714 11.376 0.968 1.00 0.00 H new ATOM 0 HZ3 LYS B 108 12.040 10.026 1.747 1.00 0.00 H new ATOM 1759 N ARG B 109 9.936 6.587 -3.217 1.00 0.00 N ATOM 1760 CA ARG B 109 9.458 5.360 -3.812 1.00 0.00 C ATOM 1761 C ARG B 109 9.079 4.361 -2.741 1.00 0.00 C ATOM 1762 O ARG B 109 9.897 4.023 -1.892 1.00 0.00 O ATOM 1763 CB ARG B 109 10.537 4.745 -4.706 1.00 0.00 C ATOM 1764 CG ARG B 109 11.031 5.665 -5.807 1.00 0.00 C ATOM 1765 CD ARG B 109 10.774 5.078 -7.186 1.00 0.00 C ATOM 1766 NE ARG B 109 11.989 5.041 -8.002 1.00 0.00 N ATOM 1767 CZ ARG B 109 12.370 6.028 -8.816 1.00 0.00 C ATOM 1768 NH1 ARG B 109 11.670 7.149 -8.876 1.00 0.00 N ATOM 1769 NH2 ARG B 109 13.464 5.902 -9.557 1.00 0.00 N ATOM 0 H ARG B 109 10.806 6.491 -2.693 1.00 0.00 H new ATOM 0 HA ARG B 109 8.579 5.598 -4.411 1.00 0.00 H new ATOM 0 HB2 ARG B 109 11.384 4.452 -4.085 1.00 0.00 H new ATOM 0 HB3 ARG B 109 10.143 3.835 -5.158 1.00 0.00 H new ATOM 0 HG2 ARG B 109 10.534 6.632 -5.724 1.00 0.00 H new ATOM 0 HG3 ARG B 109 12.099 5.844 -5.680 1.00 0.00 H new ATOM 0 HD2 ARG B 109 10.377 4.068 -7.082 1.00 0.00 H new ATOM 0 HD3 ARG B 109 10.013 5.669 -7.696 1.00 0.00 H new ATOM 0 HE ARG B 109 12.580 4.211 -7.945 1.00 0.00 H new ATOM 0 HH11 ARG B 109 10.836 7.261 -8.299 1.00 0.00 H new ATOM 0 HH12 ARG B 109 11.964 7.901 -9.499 1.00 0.00 H new ATOM 0 HH21 ARG B 109 14.019 5.047 -9.506 1.00 0.00 H new ATOM 0 HH22 ARG B 109 13.750 6.660 -10.177 1.00 0.00 H new ATOM 1783 N SER B 110 7.840 3.911 -2.766 1.00 0.00 N ATOM 1784 CA SER B 110 7.449 2.768 -1.965 1.00 0.00 C ATOM 1785 C SER B 110 7.490 1.526 -2.849 1.00 0.00 C ATOM 1786 O SER B 110 7.297 1.626 -4.066 1.00 0.00 O ATOM 1787 CB SER B 110 6.068 2.977 -1.336 1.00 0.00 C ATOM 1788 OG SER B 110 5.083 3.246 -2.318 1.00 0.00 O ATOM 0 H SER B 110 7.091 4.316 -3.328 1.00 0.00 H new ATOM 0 HA SER B 110 8.144 2.641 -1.135 1.00 0.00 H new ATOM 0 HB2 SER B 110 5.786 2.088 -0.771 1.00 0.00 H new ATOM 0 HB3 SER B 110 6.112 3.804 -0.627 1.00 0.00 H new ATOM 0 HG SER B 110 4.208 3.341 -1.886 1.00 0.00 H new ATOM 1794 N ARG B 111 7.749 0.371 -2.251 1.00 0.00 N ATOM 1795 CA ARG B 111 7.996 -0.852 -3.011 1.00 0.00 C ATOM 1796 C ARG B 111 6.815 -1.232 -3.889 1.00 0.00 C ATOM 1797 O ARG B 111 7.002 -1.759 -4.985 1.00 0.00 O ATOM 1798 CB ARG B 111 8.349 -2.006 -2.078 1.00 0.00 C ATOM 1799 CG ARG B 111 9.695 -1.825 -1.404 1.00 0.00 C ATOM 1800 CD ARG B 111 10.073 -3.030 -0.567 1.00 0.00 C ATOM 1801 NE ARG B 111 11.464 -2.966 -0.123 1.00 0.00 N ATOM 1802 CZ ARG B 111 11.954 -3.686 0.887 1.00 0.00 C ATOM 1803 NH1 ARG B 111 11.150 -4.461 1.605 1.00 0.00 N ATOM 1804 NH2 ARG B 111 13.243 -3.626 1.187 1.00 0.00 N ATOM 0 H ARG B 111 7.794 0.253 -1.239 1.00 0.00 H new ATOM 0 HA ARG B 111 8.843 -0.651 -3.668 1.00 0.00 H new ATOM 0 HB2 ARG B 111 7.576 -2.101 -1.316 1.00 0.00 H new ATOM 0 HB3 ARG B 111 8.354 -2.937 -2.645 1.00 0.00 H new ATOM 0 HG2 ARG B 111 10.460 -1.654 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG B 111 9.668 -0.937 -0.772 1.00 0.00 H new ATOM 0 HD2 ARG B 111 9.417 -3.090 0.301 1.00 0.00 H new ATOM 0 HD3 ARG B 111 9.918 -3.939 -1.148 1.00 0.00 H new ATOM 0 HE ARG B 111 12.097 -2.334 -0.614 1.00 0.00 H new ATOM 0 HH11 ARG B 111 10.155 -4.507 1.385 1.00 0.00 H new ATOM 0 HH12 ARG B 111 11.527 -5.011 2.377 1.00 0.00 H new ATOM 0 HH21 ARG B 111 13.866 -3.027 0.645 1.00 0.00 H new ATOM 0 HH22 ARG B 111 13.613 -4.179 1.960 1.00 0.00 H new ATOM 1818 N ALA B 112 5.609 -0.949 -3.412 1.00 0.00 N ATOM 1819 CA ALA B 112 4.395 -1.222 -4.173 1.00 0.00 C ATOM 1820 C ALA B 112 4.452 -0.577 -5.555 1.00 0.00 C ATOM 1821 O ALA B 112 4.023 -1.165 -6.546 1.00 0.00 O ATOM 1822 CB ALA B 112 3.176 -0.718 -3.417 1.00 0.00 C ATOM 0 H ALA B 112 5.445 -0.529 -2.497 1.00 0.00 H new ATOM 0 HA ALA B 112 4.317 -2.301 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA B 112 2.277 -0.928 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA B 112 3.112 -1.221 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA B 112 3.264 0.357 -3.260 1.00 0.00 H new ATOM 1828 N ARG B 113 5.017 0.624 -5.618 1.00 0.00 N ATOM 1829 CA ARG B 113 5.057 1.373 -6.865 1.00 0.00 C ATOM 1830 C ARG B 113 6.249 0.936 -7.703 1.00 0.00 C ATOM 1831 O ARG B 113 6.223 1.005 -8.929 1.00 0.00 O ATOM 1832 CB ARG B 113 5.166 2.873 -6.602 1.00 0.00 C ATOM 1833 CG ARG B 113 4.473 3.348 -5.340 1.00 0.00 C ATOM 1834 CD ARG B 113 4.556 4.858 -5.238 1.00 0.00 C ATOM 1835 NE ARG B 113 4.427 5.355 -3.866 1.00 0.00 N ATOM 1836 CZ ARG B 113 4.184 6.634 -3.555 1.00 0.00 C ATOM 1837 NH1 ARG B 113 4.019 7.537 -4.518 1.00 0.00 N ATOM 1838 NH2 ARG B 113 4.099 7.012 -2.285 1.00 0.00 N ATOM 0 H ARG B 113 5.451 1.096 -4.824 1.00 0.00 H new ATOM 0 HA ARG B 113 4.130 1.171 -7.401 1.00 0.00 H new ATOM 0 HB2 ARG B 113 6.221 3.142 -6.544 1.00 0.00 H new ATOM 0 HB3 ARG B 113 4.747 3.409 -7.454 1.00 0.00 H new ATOM 0 HG2 ARG B 113 3.430 3.033 -5.348 1.00 0.00 H new ATOM 0 HG3 ARG B 113 4.937 2.890 -4.466 1.00 0.00 H new ATOM 0 HD2 ARG B 113 5.509 5.191 -5.649 1.00 0.00 H new ATOM 0 HD3 ARG B 113 3.772 5.300 -5.852 1.00 0.00 H new ATOM 0 HE ARG B 113 4.528 4.687 -3.102 1.00 0.00 H new ATOM 0 HH11 ARG B 113 4.078 7.255 -5.497 1.00 0.00 H new ATOM 0 HH12 ARG B 113 3.834 8.511 -4.278 1.00 0.00 H new ATOM 0 HH21 ARG B 113 4.219 6.326 -1.540 1.00 0.00 H new ATOM 0 HH22 ARG B 113 3.914 7.988 -2.055 1.00 0.00 H new ATOM 1852 N ILE B 114 7.301 0.499 -7.024 1.00 0.00 N ATOM 1853 CA ILE B 114 8.520 0.085 -7.698 1.00 0.00 C ATOM 1854 C ILE B 114 8.308 -1.227 -8.427 1.00 0.00 C ATOM 1855 O ILE B 114 8.666 -1.366 -9.597 1.00 0.00 O ATOM 1856 CB ILE B 114 9.689 -0.085 -6.709 1.00 0.00 C ATOM 1857 CG1 ILE B 114 9.982 1.236 -6.013 1.00 0.00 C ATOM 1858 CG2 ILE B 114 10.934 -0.603 -7.427 1.00 0.00 C ATOM 1859 CD1 ILE B 114 11.028 1.121 -4.927 1.00 0.00 C ATOM 0 H ILE B 114 7.333 0.423 -6.007 1.00 0.00 H new ATOM 0 HA ILE B 114 8.770 0.872 -8.410 1.00 0.00 H new ATOM 0 HB ILE B 114 9.403 -0.820 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE B 114 10.316 1.963 -6.754 1.00 0.00 H new ATOM 0 HG13 ILE B 114 9.060 1.623 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE B 114 11.747 -0.716 -6.710 1.00 0.00 H new ATOM 0 HG22 ILE B 114 10.716 -1.569 -7.883 1.00 0.00 H new ATOM 0 HG23 ILE B 114 11.229 0.105 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE B 114 11.189 2.098 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE B 114 10.687 0.418 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE B 114 11.963 0.763 -5.359 1.00 0.00 H new ATOM 1871 N VAL B 115 7.715 -2.189 -7.732 1.00 0.00 N ATOM 1872 CA VAL B 115 7.499 -3.500 -8.308 1.00 0.00 C ATOM 1873 C VAL B 115 6.520 -3.412 -9.472 1.00 0.00 C ATOM 1874 O VAL B 115 6.685 -4.091 -10.480 1.00 0.00 O ATOM 1875 CB VAL B 115 7.009 -4.531 -7.265 1.00 0.00 C ATOM 1876 CG1 VAL B 115 7.974 -4.602 -6.095 1.00 0.00 C ATOM 1877 CG2 VAL B 115 5.602 -4.222 -6.769 1.00 0.00 C ATOM 0 H VAL B 115 7.379 -2.083 -6.775 1.00 0.00 H new ATOM 0 HA VAL B 115 8.463 -3.852 -8.675 1.00 0.00 H new ATOM 0 HB VAL B 115 6.975 -5.501 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL B 115 7.614 -5.332 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL B 115 8.959 -4.901 -6.453 1.00 0.00 H new ATOM 0 HG13 VAL B 115 8.043 -3.623 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL B 115 5.301 -4.973 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL B 115 5.589 -3.237 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL B 115 4.909 -4.235 -7.610 1.00 0.00 H new ATOM 1887 N ASP B 116 5.522 -2.546 -9.339 1.00 0.00 N ATOM 1888 CA ASP B 116 4.575 -2.300 -10.418 1.00 0.00 C ATOM 1889 C ASP B 116 5.311 -1.882 -11.683 1.00 0.00 C ATOM 1890 O ASP B 116 5.056 -2.408 -12.765 1.00 0.00 O ATOM 1891 CB ASP B 116 3.572 -1.227 -10.000 1.00 0.00 C ATOM 1892 CG ASP B 116 2.703 -0.734 -11.148 1.00 0.00 C ATOM 1893 OD1 ASP B 116 3.075 0.270 -11.792 1.00 0.00 O ATOM 1894 OD2 ASP B 116 1.639 -1.337 -11.408 1.00 0.00 O ATOM 0 H ASP B 116 5.348 -2.002 -8.494 1.00 0.00 H new ATOM 0 HA ASP B 116 4.031 -3.221 -10.627 1.00 0.00 H new ATOM 0 HB2 ASP B 116 2.931 -1.626 -9.214 1.00 0.00 H new ATOM 0 HB3 ASP B 116 4.112 -0.382 -9.573 1.00 0.00 H new ATOM 1899 N LYS B 117 6.262 -0.972 -11.532 1.00 0.00 N ATOM 1900 CA LYS B 117 7.028 -0.500 -12.665 1.00 0.00 C ATOM 1901 C LYS B 117 8.030 -1.547 -13.143 1.00 0.00 C ATOM 1902 O LYS B 117 8.229 -1.714 -14.342 1.00 0.00 O ATOM 1903 CB LYS B 117 7.715 0.823 -12.337 1.00 0.00 C ATOM 1904 CG LYS B 117 6.886 2.024 -12.747 1.00 0.00 C ATOM 1905 CD LYS B 117 6.732 2.107 -14.259 1.00 0.00 C ATOM 1906 CE LYS B 117 5.841 3.266 -14.669 1.00 0.00 C ATOM 1907 NZ LYS B 117 5.673 3.343 -16.141 1.00 0.00 N ATOM 0 H LYS B 117 6.517 -0.550 -10.639 1.00 0.00 H new ATOM 0 HA LYS B 117 6.335 -0.325 -13.488 1.00 0.00 H new ATOM 0 HB2 LYS B 117 7.913 0.870 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS B 117 8.680 0.862 -12.842 1.00 0.00 H new ATOM 0 HG2 LYS B 117 5.902 1.963 -12.283 1.00 0.00 H new ATOM 0 HG3 LYS B 117 7.357 2.935 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.713 2.222 -14.719 1.00 0.00 H new ATOM 0 HD3 LYS B 117 6.311 1.174 -14.634 1.00 0.00 H new ATOM 0 HE2 LYS B 117 4.864 3.157 -14.198 1.00 0.00 H new ATOM 0 HE3 LYS B 117 6.269 4.199 -14.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 4.979 4.082 -16.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 6.586 3.574 -16.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 5.336 2.427 -16.500 1.00 0.00 H new ATOM 1921 N LEU B 118 8.628 -2.282 -12.216 1.00 0.00 N ATOM 1922 CA LEU B 118 9.617 -3.298 -12.570 1.00 0.00 C ATOM 1923 C LEU B 118 8.992 -4.385 -13.435 1.00 0.00 C ATOM 1924 O LEU B 118 9.559 -4.795 -14.449 1.00 0.00 O ATOM 1925 CB LEU B 118 10.200 -3.949 -11.323 1.00 0.00 C ATOM 1926 CG LEU B 118 11.712 -4.150 -11.346 1.00 0.00 C ATOM 1927 CD1 LEU B 118 12.433 -2.818 -11.202 1.00 0.00 C ATOM 1928 CD2 LEU B 118 12.135 -5.114 -10.255 1.00 0.00 C ATOM 0 H LEU B 118 8.448 -2.197 -11.216 1.00 0.00 H new ATOM 0 HA LEU B 118 10.410 -2.796 -13.125 1.00 0.00 H new ATOM 0 HB2 LEU B 118 9.943 -3.337 -10.458 1.00 0.00 H new ATOM 0 HB3 LEU B 118 9.722 -4.918 -11.181 1.00 0.00 H new ATOM 0 HG LEU B 118 11.988 -4.581 -12.308 1.00 0.00 H new ATOM 0 HD11 LEU B 118 13.510 -2.983 -11.221 1.00 0.00 H new ATOM 0 HD12 LEU B 118 12.152 -2.161 -12.026 1.00 0.00 H new ATOM 0 HD13 LEU B 118 12.154 -2.353 -10.256 1.00 0.00 H new ATOM 0 HD21 LEU B 118 13.217 -5.246 -10.286 1.00 0.00 H new ATOM 0 HD22 LEU B 118 11.846 -4.714 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU B 118 11.647 -6.076 -10.411 1.00 0.00 H new ATOM 1940 N LEU B 119 7.822 -4.852 -13.019 1.00 0.00 N ATOM 1941 CA LEU B 119 7.102 -5.889 -13.747 1.00 0.00 C ATOM 1942 C LEU B 119 6.528 -5.336 -15.037 1.00 0.00 C ATOM 1943 O LEU B 119 6.195 -6.082 -15.957 1.00 0.00 O ATOM 1944 CB LEU B 119 5.971 -6.464 -12.896 1.00 0.00 C ATOM 1945 CG LEU B 119 6.391 -7.521 -11.861 1.00 0.00 C ATOM 1946 CD1 LEU B 119 7.214 -6.923 -10.727 1.00 0.00 C ATOM 1947 CD2 LEU B 119 5.173 -8.233 -11.304 1.00 0.00 C ATOM 0 H LEU B 119 7.349 -4.527 -12.176 1.00 0.00 H new ATOM 0 HA LEU B 119 7.811 -6.683 -13.981 1.00 0.00 H new ATOM 0 HB2 LEU B 119 5.481 -5.643 -12.372 1.00 0.00 H new ATOM 0 HB3 LEU B 119 5.229 -6.907 -13.561 1.00 0.00 H new ATOM 0 HG LEU B 119 7.024 -8.242 -12.379 1.00 0.00 H new ATOM 0 HD11 LEU B 119 7.487 -7.708 -10.022 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.118 -6.470 -11.133 1.00 0.00 H new ATOM 0 HD13 LEU B 119 6.627 -6.162 -10.213 1.00 0.00 H new ATOM 0 HD21 LEU B 119 5.489 -8.977 -10.573 1.00 0.00 H new ATOM 0 HD22 LEU B 119 4.516 -7.508 -10.823 1.00 0.00 H new ATOM 0 HD23 LEU B 119 4.637 -8.726 -12.115 1.00 0.00 H new ATOM 1959 N ALA B 120 6.422 -4.027 -15.101 1.00 0.00 N ATOM 1960 CA ALA B 120 5.874 -3.374 -16.268 1.00 0.00 C ATOM 1961 C ALA B 120 6.950 -3.202 -17.331 1.00 0.00 C ATOM 1962 O ALA B 120 6.678 -3.288 -18.529 1.00 0.00 O ATOM 1963 CB ALA B 120 5.259 -2.051 -15.870 1.00 0.00 C ATOM 0 H ALA B 120 6.709 -3.393 -14.356 1.00 0.00 H new ATOM 0 HA ALA B 120 5.088 -3.994 -16.699 1.00 0.00 H new ATOM 0 HB1 ALA B 120 4.847 -1.561 -16.752 1.00 0.00 H new ATOM 0 HB2 ALA B 120 4.463 -2.223 -15.145 1.00 0.00 H new ATOM 0 HB3 ALA B 120 6.023 -1.414 -15.425 1.00 0.00 H new ATOM 1969 N LEU B 121 8.176 -2.949 -16.877 1.00 0.00 N ATOM 1970 CA LEU B 121 9.351 -3.027 -17.739 1.00 0.00 C ATOM 1971 C LEU B 121 9.614 -4.479 -18.096 1.00 0.00 C ATOM 1972 O LEU B 121 10.234 -4.788 -19.111 1.00 0.00 O ATOM 1973 CB LEU B 121 10.587 -2.472 -17.026 1.00 0.00 C ATOM 1974 CG LEU B 121 10.779 -0.956 -17.069 1.00 0.00 C ATOM 1975 CD1 LEU B 121 9.578 -0.223 -16.500 1.00 0.00 C ATOM 1976 CD2 LEU B 121 12.037 -0.586 -16.307 1.00 0.00 C ATOM 0 H LEU B 121 8.381 -2.687 -15.913 1.00 0.00 H new ATOM 0 HA LEU B 121 9.160 -2.437 -18.635 1.00 0.00 H new ATOM 0 HB2 LEU B 121 10.545 -2.781 -15.981 1.00 0.00 H new ATOM 0 HB3 LEU B 121 11.470 -2.940 -17.461 1.00 0.00 H new ATOM 0 HG LEU B 121 10.880 -0.651 -18.111 1.00 0.00 H new ATOM 0 HD11 LEU B 121 9.752 0.852 -16.548 1.00 0.00 H new ATOM 0 HD12 LEU B 121 8.690 -0.473 -17.081 1.00 0.00 H new ATOM 0 HD13 LEU B 121 9.428 -0.521 -15.462 1.00 0.00 H new ATOM 0 HD21 LEU B 121 12.176 0.495 -16.337 1.00 0.00 H new ATOM 0 HD22 LEU B 121 11.944 -0.912 -15.271 1.00 0.00 H new ATOM 0 HD23 LEU B 121 12.897 -1.075 -16.765 1.00 0.00 H new ATOM 1988 N GLY B 122 9.137 -5.359 -17.228 1.00 0.00 N ATOM 1989 CA GLY B 122 9.334 -6.778 -17.406 1.00 0.00 C ATOM 1990 C GLY B 122 10.739 -7.199 -17.056 1.00 0.00 C ATOM 1991 O GLY B 122 11.283 -8.135 -17.644 1.00 0.00 O ATOM 0 H GLY B 122 8.609 -5.107 -16.392 1.00 0.00 H new ATOM 0 HA2 GLY B 122 8.626 -7.324 -16.783 1.00 0.00 H new ATOM 0 HA3 GLY B 122 9.122 -7.047 -18.441 1.00 0.00 H new ATOM 1995 N LEU B 123 11.323 -6.516 -16.080 1.00 0.00 N ATOM 1996 CA LEU B 123 12.655 -6.851 -15.603 1.00 0.00 C ATOM 1997 C LEU B 123 12.569 -8.113 -14.767 1.00 0.00 C ATOM 1998 O LEU B 123 13.532 -8.868 -14.626 1.00 0.00 O ATOM 1999 CB LEU B 123 13.225 -5.689 -14.784 1.00 0.00 C ATOM 2000 CG LEU B 123 13.544 -4.427 -15.594 1.00 0.00 C ATOM 2001 CD1 LEU B 123 14.005 -3.298 -14.686 1.00 0.00 C ATOM 2002 CD2 LEU B 123 14.606 -4.718 -16.644 1.00 0.00 C ATOM 0 H LEU B 123 10.892 -5.724 -15.603 1.00 0.00 H new ATOM 0 HA LEU B 123 13.323 -7.025 -16.446 1.00 0.00 H new ATOM 0 HB2 LEU B 123 12.512 -5.431 -14.001 1.00 0.00 H new ATOM 0 HB3 LEU B 123 14.135 -6.025 -14.288 1.00 0.00 H new ATOM 0 HG LEU B 123 12.629 -4.113 -16.096 1.00 0.00 H new ATOM 0 HD11 LEU B 123 14.225 -2.415 -15.286 1.00 0.00 H new ATOM 0 HD12 LEU B 123 13.218 -3.063 -13.969 1.00 0.00 H new ATOM 0 HD13 LEU B 123 14.903 -3.605 -14.151 1.00 0.00 H new ATOM 0 HD21 LEU B 123 14.818 -3.810 -17.208 1.00 0.00 H new ATOM 0 HD22 LEU B 123 15.517 -5.062 -16.154 1.00 0.00 H new ATOM 0 HD23 LEU B 123 14.245 -5.491 -17.323 1.00 0.00 H new ATOM 2014 N VAL B 124 11.381 -8.318 -14.225 1.00 0.00 N ATOM 2015 CA VAL B 124 11.045 -9.506 -13.459 1.00 0.00 C ATOM 2016 C VAL B 124 9.617 -9.921 -13.773 1.00 0.00 C ATOM 2017 O VAL B 124 8.847 -9.131 -14.326 1.00 0.00 O ATOM 2018 CB VAL B 124 11.166 -9.252 -11.948 1.00 0.00 C ATOM 2019 CG1 VAL B 124 12.616 -9.007 -11.552 1.00 0.00 C ATOM 2020 CG2 VAL B 124 10.284 -8.079 -11.551 1.00 0.00 C ATOM 0 H VAL B 124 10.611 -7.654 -14.306 1.00 0.00 H new ATOM 0 HA VAL B 124 11.745 -10.295 -13.736 1.00 0.00 H new ATOM 0 HB VAL B 124 10.827 -10.139 -11.414 1.00 0.00 H new ATOM 0 HG11 VAL B 124 12.675 -8.830 -10.478 1.00 0.00 H new ATOM 0 HG12 VAL B 124 13.216 -9.880 -11.809 1.00 0.00 H new ATOM 0 HG13 VAL B 124 12.996 -8.136 -12.085 1.00 0.00 H new ATOM 0 HG21 VAL B 124 10.373 -7.903 -10.479 1.00 0.00 H new ATOM 0 HG22 VAL B 124 10.599 -7.187 -12.093 1.00 0.00 H new ATOM 0 HG23 VAL B 124 9.246 -8.305 -11.796 1.00 0.00 H new ATOM 2030 N ALA B 125 9.262 -11.149 -13.439 1.00 0.00 N ATOM 2031 CA ALA B 125 7.900 -11.618 -13.641 1.00 0.00 C ATOM 2032 C ALA B 125 7.138 -11.623 -12.326 1.00 0.00 C ATOM 2033 O ALA B 125 5.910 -11.743 -12.301 1.00 0.00 O ATOM 2034 CB ALA B 125 7.897 -13.003 -14.264 1.00 0.00 C ATOM 0 H ALA B 125 9.893 -11.837 -13.029 1.00 0.00 H new ATOM 0 HA ALA B 125 7.400 -10.934 -14.327 1.00 0.00 H new ATOM 0 HB1 ALA B 125 6.869 -13.336 -14.407 1.00 0.00 H new ATOM 0 HB2 ALA B 125 8.405 -12.969 -15.228 1.00 0.00 H new ATOM 0 HB3 ALA B 125 8.415 -13.700 -13.605 1.00 0.00 H new ATOM 2040 N GLU B 126 7.871 -11.482 -11.233 1.00 0.00 N ATOM 2041 CA GLU B 126 7.280 -11.488 -9.910 1.00 0.00 C ATOM 2042 C GLU B 126 8.145 -10.694 -8.943 1.00 0.00 C ATOM 2043 O GLU B 126 9.250 -10.291 -9.287 1.00 0.00 O ATOM 2044 CB GLU B 126 7.124 -12.921 -9.416 1.00 0.00 C ATOM 2045 CG GLU B 126 8.441 -13.657 -9.264 1.00 0.00 C ATOM 2046 CD GLU B 126 8.227 -15.101 -8.857 1.00 0.00 C ATOM 2047 OE1 GLU B 126 7.787 -15.338 -7.715 1.00 0.00 O ATOM 2048 OE2 GLU B 126 8.476 -16.002 -9.680 1.00 0.00 O ATOM 0 H GLU B 126 8.884 -11.361 -11.240 1.00 0.00 H new ATOM 0 HA GLU B 126 6.296 -11.022 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU B 126 6.610 -12.911 -8.455 1.00 0.00 H new ATOM 0 HB3 GLU B 126 6.489 -13.469 -10.112 1.00 0.00 H new ATOM 0 HG2 GLU B 126 8.990 -13.621 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU B 126 9.056 -13.155 -8.517 1.00 0.00 H new ATOM 2055 N ARG B 127 7.638 -10.486 -7.737 1.00 0.00 N ATOM 2056 CA ARG B 127 8.337 -9.701 -6.725 1.00 0.00 C ATOM 2057 C ARG B 127 9.426 -10.530 -6.043 1.00 0.00 C ATOM 2058 O ARG B 127 10.370 -9.990 -5.473 1.00 0.00 O ATOM 2059 CB ARG B 127 7.352 -9.154 -5.682 1.00 0.00 C ATOM 2060 CG ARG B 127 6.469 -8.021 -6.195 1.00 0.00 C ATOM 2061 CD ARG B 127 5.454 -8.489 -7.231 1.00 0.00 C ATOM 2062 NE ARG B 127 4.512 -9.467 -6.688 1.00 0.00 N ATOM 2063 CZ ARG B 127 3.740 -10.264 -7.436 1.00 0.00 C ATOM 2064 NH1 ARG B 127 3.804 -10.210 -8.763 1.00 0.00 N ATOM 2065 NH2 ARG B 127 2.906 -11.114 -6.856 1.00 0.00 N ATOM 0 H ARG B 127 6.737 -10.853 -7.432 1.00 0.00 H new ATOM 0 HA ARG B 127 8.812 -8.859 -7.227 1.00 0.00 H new ATOM 0 HB2 ARG B 127 6.716 -9.969 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG B 127 7.914 -8.800 -4.818 1.00 0.00 H new ATOM 0 HG2 ARG B 127 5.942 -7.568 -5.355 1.00 0.00 H new ATOM 0 HG3 ARG B 127 7.098 -7.246 -6.633 1.00 0.00 H new ATOM 0 HD2 ARG B 127 4.902 -7.628 -7.609 1.00 0.00 H new ATOM 0 HD3 ARG B 127 5.980 -8.928 -8.079 1.00 0.00 H new ATOM 0 HE ARG B 127 4.439 -9.547 -5.674 1.00 0.00 H new ATOM 0 HH11 ARG B 127 4.444 -9.558 -9.217 1.00 0.00 H new ATOM 0 HH12 ARG B 127 3.213 -10.820 -9.327 1.00 0.00 H new ATOM 0 HH21 ARG B 127 2.852 -11.161 -5.839 1.00 0.00 H new ATOM 0 HH22 ARG B 127 2.318 -11.721 -7.427 1.00 0.00 H new ATOM 2079 N ARG B 128 9.282 -11.841 -6.113 1.00 0.00 N ATOM 2080 CA ARG B 128 10.198 -12.772 -5.460 1.00 0.00 C ATOM 2081 C ARG B 128 11.659 -12.565 -5.884 1.00 0.00 C ATOM 2082 O ARG B 128 12.564 -12.655 -5.055 1.00 0.00 O ATOM 2083 CB ARG B 128 9.737 -14.200 -5.756 1.00 0.00 C ATOM 2084 CG ARG B 128 10.779 -15.282 -5.534 1.00 0.00 C ATOM 2085 CD ARG B 128 10.170 -16.663 -5.721 1.00 0.00 C ATOM 2086 NE ARG B 128 9.102 -16.925 -4.755 1.00 0.00 N ATOM 2087 CZ ARG B 128 7.978 -17.588 -5.035 1.00 0.00 C ATOM 2088 NH1 ARG B 128 7.748 -18.045 -6.260 1.00 0.00 N ATOM 2089 NH2 ARG B 128 7.074 -17.781 -4.082 1.00 0.00 N ATOM 0 H ARG B 128 8.526 -12.296 -6.625 1.00 0.00 H new ATOM 0 HA ARG B 128 10.171 -12.583 -4.387 1.00 0.00 H new ATOM 0 HB2 ARG B 128 8.871 -14.420 -5.132 1.00 0.00 H new ATOM 0 HB3 ARG B 128 9.404 -14.248 -6.793 1.00 0.00 H new ATOM 0 HG2 ARG B 128 11.605 -15.146 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG B 128 11.192 -15.195 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG B 128 9.774 -16.751 -6.733 1.00 0.00 H new ATOM 0 HD3 ARG B 128 10.948 -17.420 -5.616 1.00 0.00 H new ATOM 0 HE ARG B 128 9.225 -16.578 -3.804 1.00 0.00 H new ATOM 0 HH11 ARG B 128 8.434 -17.891 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG B 128 6.885 -18.550 -6.462 1.00 0.00 H new ATOM 0 HH21 ARG B 128 7.240 -17.423 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG B 128 6.213 -18.287 -4.290 1.00 0.00 H new ATOM 2103 N GLU B 129 11.883 -12.260 -7.153 1.00 0.00 N ATOM 2104 CA GLU B 129 13.243 -12.174 -7.689 1.00 0.00 C ATOM 2105 C GLU B 129 13.977 -10.915 -7.232 1.00 0.00 C ATOM 2106 O GLU B 129 15.208 -10.840 -7.310 1.00 0.00 O ATOM 2107 CB GLU B 129 13.200 -12.231 -9.209 1.00 0.00 C ATOM 2108 CG GLU B 129 12.645 -13.539 -9.732 1.00 0.00 C ATOM 2109 CD GLU B 129 13.500 -14.739 -9.349 1.00 0.00 C ATOM 2110 OE1 GLU B 129 14.185 -15.292 -10.238 1.00 0.00 O ATOM 2111 OE2 GLU B 129 13.489 -15.141 -8.163 1.00 0.00 O ATOM 0 H GLU B 129 11.147 -12.068 -7.833 1.00 0.00 H new ATOM 0 HA GLU B 129 13.800 -13.026 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU B 129 12.590 -11.408 -9.582 1.00 0.00 H new ATOM 0 HB3 GLU B 129 14.206 -12.086 -9.602 1.00 0.00 H new ATOM 0 HG2 GLU B 129 11.636 -13.680 -9.346 1.00 0.00 H new ATOM 0 HG3 GLU B 129 12.566 -13.487 -10.818 1.00 0.00 H new ATOM 2118 N LEU B 130 13.233 -9.933 -6.748 1.00 0.00 N ATOM 2119 CA LEU B 130 13.829 -8.674 -6.312 1.00 0.00 C ATOM 2120 C LEU B 130 14.147 -8.719 -4.823 1.00 0.00 C ATOM 2121 O LEU B 130 14.808 -7.830 -4.286 1.00 0.00 O ATOM 2122 CB LEU B 130 12.921 -7.477 -6.625 1.00 0.00 C ATOM 2123 CG LEU B 130 11.473 -7.808 -6.987 1.00 0.00 C ATOM 2124 CD1 LEU B 130 10.608 -6.575 -6.866 1.00 0.00 C ATOM 2125 CD2 LEU B 130 11.374 -8.365 -8.396 1.00 0.00 C ATOM 0 H LEU B 130 12.219 -9.980 -6.646 1.00 0.00 H new ATOM 0 HA LEU B 130 14.757 -8.542 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU B 130 12.915 -6.815 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU B 130 13.362 -6.918 -7.451 1.00 0.00 H new ATOM 0 HG LEU B 130 11.120 -8.568 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU B 130 9.580 -6.825 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU B 130 10.643 -6.205 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU B 130 10.977 -5.804 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU B 130 10.333 -8.591 -8.626 1.00 0.00 H new ATOM 0 HD22 LEU B 130 11.750 -7.628 -9.106 1.00 0.00 H new ATOM 0 HD23 LEU B 130 11.968 -9.276 -8.470 1.00 0.00 H new ATOM 2137 N TYR B 131 13.675 -9.773 -4.171 1.00 0.00 N ATOM 2138 CA TYR B 131 14.002 -10.036 -2.775 1.00 0.00 C ATOM 2139 C TYR B 131 14.644 -11.411 -2.703 1.00 0.00 C ATOM 2140 O TYR B 131 14.306 -12.239 -1.857 1.00 0.00 O ATOM 2141 CB TYR B 131 12.742 -10.014 -1.903 1.00 0.00 C ATOM 2142 CG TYR B 131 11.849 -8.811 -2.115 1.00 0.00 C ATOM 2143 CD1 TYR B 131 12.279 -7.526 -1.809 1.00 0.00 C ATOM 2144 CD2 TYR B 131 10.559 -8.972 -2.601 1.00 0.00 C ATOM 2145 CE1 TYR B 131 11.445 -6.436 -1.986 1.00 0.00 C ATOM 2146 CE2 TYR B 131 9.724 -7.890 -2.785 1.00 0.00 C ATOM 2147 CZ TYR B 131 10.169 -6.625 -2.475 1.00 0.00 C ATOM 2148 OH TYR B 131 9.332 -5.547 -2.648 1.00 0.00 O ATOM 0 H TYR B 131 13.057 -10.467 -4.592 1.00 0.00 H new ATOM 0 HA TYR B 131 14.679 -9.266 -2.405 1.00 0.00 H new ATOM 0 HB2 TYR B 131 12.165 -10.917 -2.099 1.00 0.00 H new ATOM 0 HB3 TYR B 131 13.041 -10.048 -0.855 1.00 0.00 H new ATOM 0 HD1 TYR B 131 13.278 -7.376 -1.428 1.00 0.00 H new ATOM 0 HD2 TYR B 131 10.202 -9.963 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR B 131 11.791 -5.442 -1.743 1.00 0.00 H new ATOM 0 HE2 TYR B 131 8.726 -8.035 -3.171 1.00 0.00 H new ATOM 0 HH TYR B 131 8.471 -5.855 -3.001 1.00 0.00 H new