USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 GLN : amide:sc= 0.536 K(o=1.5,f=-1.4) USER MOD Set 1.2: A 31 ASN : amide:sc= 1 K(o=1.5,f=-0.85) USER MOD Set 2.1: A 11 LYS NZ :NH3+ 147:sc= 2.37 (180deg=-0.294!) USER MOD Set 2.2: A 47 TYR OH : rot 171:sc= 1.38 USER MOD Single : A 7 SER OG : rot 29:sc= 0.0959 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.13 X(o=0.13,f=0) USER MOD Single : A 21 SER OG : rot -94:sc= 0.753 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0723 F(o=-0.66,f=-0.072) USER MOD Single : A 36 ASN : amide:sc= 0.726 K(o=0.73,f=-4.6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -2.39! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.3!) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc=-0.00427 (180deg=-0.103) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 70 GLN : amide:sc=-0.00744 X(o=-0.0074,f=-0.0074) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 4.950 4.583 -0.822 1.00 0.00 N ATOM 106 CA SER A 7 5.746 4.340 0.370 1.00 0.00 C ATOM 107 C SER A 7 6.476 3.008 0.250 1.00 0.00 C ATOM 108 O SER A 7 6.005 2.099 -0.436 1.00 0.00 O ATOM 109 CB SER A 7 4.854 4.341 1.614 1.00 0.00 C ATOM 110 OG SER A 7 4.149 5.563 1.732 1.00 0.00 O ATOM 0 HA SER A 7 6.482 5.138 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.147 3.513 1.560 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.464 4.182 2.503 1.00 0.00 H new ATOM 0 HG SER A 7 4.002 5.943 0.841 1.00 0.00 H new ATOM 116 N GLU A 8 7.619 2.894 0.916 1.00 0.00 N ATOM 117 CA GLU A 8 8.418 1.675 0.861 1.00 0.00 C ATOM 118 C GLU A 8 7.699 0.520 1.552 1.00 0.00 C ATOM 119 O GLU A 8 7.802 -0.629 1.125 1.00 0.00 O ATOM 120 CB GLU A 8 9.788 1.905 1.501 1.00 0.00 C ATOM 121 CG GLU A 8 10.551 3.073 0.897 1.00 0.00 C ATOM 122 CD GLU A 8 10.705 2.963 -0.608 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.606 2.242 -1.070 1.00 0.00 O ATOM 124 OE2 GLU A 8 9.919 3.605 -1.338 1.00 0.00 O ATOM 0 H GLU A 8 8.014 3.631 1.501 1.00 0.00 H new ATOM 0 HA GLU A 8 8.560 1.411 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.657 2.080 2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.385 0.999 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.033 4.002 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.538 3.131 1.355 1.00 0.00 H new ATOM 131 N GLU A 9 6.952 0.834 2.608 1.00 0.00 N ATOM 132 CA GLU A 9 6.190 -0.162 3.336 1.00 0.00 C ATOM 133 C GLU A 9 5.114 -0.782 2.453 1.00 0.00 C ATOM 134 O GLU A 9 4.769 -1.951 2.609 1.00 0.00 O ATOM 135 CB GLU A 9 5.560 0.480 4.567 1.00 0.00 C ATOM 136 CG GLU A 9 6.575 0.908 5.608 1.00 0.00 C ATOM 137 CD GLU A 9 7.509 -0.219 5.982 1.00 0.00 C ATOM 138 OE1 GLU A 9 7.117 -1.069 6.810 1.00 0.00 O ATOM 139 OE2 GLU A 9 8.625 -0.270 5.432 1.00 0.00 O ATOM 0 H GLU A 9 6.862 1.781 2.976 1.00 0.00 H new ATOM 0 HA GLU A 9 6.865 -0.959 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.979 1.349 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.862 -0.225 5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.155 1.748 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.055 1.259 6.499 1.00 0.00 H new ATOM 146 N PHE A 10 4.601 0.010 1.518 1.00 0.00 N ATOM 147 CA PHE A 10 3.605 -0.464 0.567 1.00 0.00 C ATOM 148 C PHE A 10 4.222 -1.532 -0.327 1.00 0.00 C ATOM 149 O PHE A 10 3.603 -2.556 -0.614 1.00 0.00 O ATOM 150 CB PHE A 10 3.090 0.710 -0.272 1.00 0.00 C ATOM 151 CG PHE A 10 1.956 0.368 -1.196 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.654 0.328 -0.727 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.194 0.095 -2.534 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.393 0.029 -1.576 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.152 -0.206 -3.386 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.142 -0.243 -2.907 1.00 0.00 C ATOM 0 H PHE A 10 4.861 0.989 1.399 1.00 0.00 H new ATOM 0 HA PHE A 10 2.764 -0.901 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.767 1.505 0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.916 1.107 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.455 0.533 0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.205 0.118 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.405 0.008 -1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.348 -0.413 -4.428 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.958 -0.484 -3.572 1.00 0.00 H new ATOM 166 N LYS A 11 5.460 -1.287 -0.738 1.00 0.00 N ATOM 167 CA LYS A 11 6.215 -2.236 -1.543 1.00 0.00 C ATOM 168 C LYS A 11 6.508 -3.492 -0.729 1.00 0.00 C ATOM 169 O LYS A 11 6.377 -4.615 -1.214 1.00 0.00 O ATOM 170 CB LYS A 11 7.535 -1.605 -1.985 1.00 0.00 C ATOM 171 CG LYS A 11 7.380 -0.271 -2.696 1.00 0.00 C ATOM 172 CD LYS A 11 8.727 0.403 -2.876 1.00 0.00 C ATOM 173 CE LYS A 11 8.627 1.688 -3.679 1.00 0.00 C ATOM 174 NZ LYS A 11 9.930 2.402 -3.721 1.00 0.00 N ATOM 0 H LYS A 11 5.966 -0.428 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 11 5.624 -2.501 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.169 -1.466 -1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.053 -2.299 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.912 -0.424 -3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.718 0.377 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.155 0.621 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.410 -0.283 -3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.302 1.460 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.869 2.336 -3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.027 2.895 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.971 3.095 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.705 1.717 -3.614 1.00 0.00 H new ATOM 188 N ARG A 12 6.893 -3.274 0.525 1.00 0.00 N ATOM 189 CA ARG A 12 7.236 -4.345 1.439 1.00 0.00 C ATOM 190 C ARG A 12 6.044 -5.272 1.664 1.00 0.00 C ATOM 191 O ARG A 12 6.189 -6.496 1.684 1.00 0.00 O ATOM 192 CB ARG A 12 7.729 -3.721 2.757 1.00 0.00 C ATOM 193 CG ARG A 12 7.934 -4.702 3.899 1.00 0.00 C ATOM 194 CD ARG A 12 6.664 -4.888 4.714 1.00 0.00 C ATOM 195 NE ARG A 12 6.294 -3.683 5.459 1.00 0.00 N ATOM 196 CZ ARG A 12 5.081 -3.465 5.964 1.00 0.00 C ATOM 197 NH1 ARG A 12 4.089 -4.316 5.729 1.00 0.00 N ATOM 198 NH2 ARG A 12 4.856 -2.381 6.691 1.00 0.00 N ATOM 0 H ARG A 12 6.974 -2.342 0.932 1.00 0.00 H new ATOM 0 HA ARG A 12 8.031 -4.958 1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.671 -3.207 2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.011 -2.964 3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.254 -5.664 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.734 -4.344 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.846 -5.165 4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.801 -5.714 5.411 1.00 0.00 H new ATOM 0 HE ARG A 12 7.008 -2.968 5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.253 -5.145 5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.163 -4.141 6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.610 -1.716 6.863 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.928 -2.211 7.079 1.00 0.00 H new ATOM 212 N ASP A 13 4.865 -4.689 1.818 1.00 0.00 N ATOM 213 CA ASP A 13 3.664 -5.470 2.078 1.00 0.00 C ATOM 214 C ASP A 13 3.224 -6.207 0.817 1.00 0.00 C ATOM 215 O ASP A 13 2.722 -7.327 0.887 1.00 0.00 O ATOM 216 CB ASP A 13 2.541 -4.567 2.588 1.00 0.00 C ATOM 217 CG ASP A 13 1.429 -5.351 3.255 1.00 0.00 C ATOM 218 OD1 ASP A 13 1.602 -5.748 4.429 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.372 -5.558 2.626 1.00 0.00 O ATOM 0 H ASP A 13 4.714 -3.682 1.768 1.00 0.00 H new ATOM 0 HA ASP A 13 3.891 -6.208 2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.950 -3.847 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.131 -3.996 1.755 1.00 0.00 H new ATOM 224 N ALA A 14 3.441 -5.577 -0.337 1.00 0.00 N ATOM 225 CA ALA A 14 3.098 -6.173 -1.627 1.00 0.00 C ATOM 226 C ALA A 14 3.842 -7.489 -1.848 1.00 0.00 C ATOM 227 O ALA A 14 3.249 -8.482 -2.269 1.00 0.00 O ATOM 228 CB ALA A 14 3.403 -5.193 -2.754 1.00 0.00 C ATOM 0 H ALA A 14 3.856 -4.648 -0.404 1.00 0.00 H new ATOM 0 HA ALA A 14 2.030 -6.392 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.144 -5.647 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.819 -4.284 -2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.465 -4.947 -2.745 1.00 0.00 H new ATOM 234 N VAL A 15 5.138 -7.491 -1.551 1.00 0.00 N ATOM 235 CA VAL A 15 5.958 -8.687 -1.715 1.00 0.00 C ATOM 236 C VAL A 15 5.492 -9.794 -0.769 1.00 0.00 C ATOM 237 O VAL A 15 5.403 -10.961 -1.154 1.00 0.00 O ATOM 238 CB VAL A 15 7.453 -8.387 -1.470 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.305 -9.618 -1.741 1.00 0.00 C ATOM 240 CG2 VAL A 15 7.911 -7.221 -2.331 1.00 0.00 C ATOM 0 H VAL A 15 5.643 -6.679 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 15 5.841 -9.023 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 15 7.577 -8.113 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.354 -9.381 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.997 -10.427 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.176 -9.929 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.967 -7.024 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.768 -7.467 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.327 -6.334 -2.083 1.00 0.00 H new ATOM 250 N ALA A 16 5.162 -9.414 0.462 1.00 0.00 N ATOM 251 CA ALA A 16 4.685 -10.368 1.457 1.00 0.00 C ATOM 252 C ALA A 16 3.325 -10.931 1.054 1.00 0.00 C ATOM 253 O ALA A 16 3.036 -12.108 1.269 1.00 0.00 O ATOM 254 CB ALA A 16 4.605 -9.708 2.826 1.00 0.00 C ATOM 0 H ALA A 16 5.216 -8.451 0.794 1.00 0.00 H new ATOM 0 HA ALA A 16 5.394 -11.194 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.248 -10.432 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.594 -9.355 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.916 -8.864 2.784 1.00 0.00 H new ATOM 260 N LEU A 17 2.503 -10.083 0.450 1.00 0.00 N ATOM 261 CA LEU A 17 1.181 -10.482 -0.013 1.00 0.00 C ATOM 262 C LEU A 17 1.296 -11.516 -1.128 1.00 0.00 C ATOM 263 O LEU A 17 0.476 -12.427 -1.229 1.00 0.00 O ATOM 264 CB LEU A 17 0.415 -9.258 -0.516 1.00 0.00 C ATOM 265 CG LEU A 17 -1.076 -9.476 -0.768 1.00 0.00 C ATOM 266 CD1 LEU A 17 -1.793 -9.802 0.533 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.681 -8.245 -1.422 1.00 0.00 C ATOM 0 H LEU A 17 2.732 -9.106 0.268 1.00 0.00 H new ATOM 0 HA LEU A 17 0.639 -10.928 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.530 -8.455 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.877 -8.917 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.198 -10.322 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.854 -9.954 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.370 -10.710 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.669 -8.976 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.744 -8.411 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.552 -7.384 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.182 -8.056 -2.372 1.00 0.00 H new ATOM 279 N TYR A 18 2.333 -11.373 -1.949 1.00 0.00 N ATOM 280 CA TYR A 18 2.579 -12.290 -3.063 1.00 0.00 C ATOM 281 C TYR A 18 2.916 -13.694 -2.557 1.00 0.00 C ATOM 282 O TYR A 18 2.691 -14.685 -3.248 1.00 0.00 O ATOM 283 CB TYR A 18 3.711 -11.751 -3.943 1.00 0.00 C ATOM 284 CG TYR A 18 4.074 -12.653 -5.096 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.174 -12.894 -6.127 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.315 -13.270 -5.149 1.00 0.00 C ATOM 287 CE1 TYR A 18 3.504 -13.724 -7.178 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.653 -14.100 -6.196 1.00 0.00 C ATOM 289 CZ TYR A 18 4.746 -14.324 -7.207 1.00 0.00 C ATOM 290 OH TYR A 18 5.083 -15.160 -8.243 1.00 0.00 O ATOM 0 H TYR A 18 3.022 -10.626 -1.864 1.00 0.00 H new ATOM 0 HA TYR A 18 1.669 -12.360 -3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.420 -10.776 -4.335 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.595 -11.595 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.202 -12.424 -6.105 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.028 -13.097 -4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.795 -13.903 -7.973 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.624 -14.572 -6.223 1.00 0.00 H new ATOM 0 HH TYR A 18 5.994 -15.497 -8.109 1.00 0.00 H new ATOM 300 N GLU A 19 3.450 -13.770 -1.347 1.00 0.00 N ATOM 301 CA GLU A 19 3.731 -15.053 -0.707 1.00 0.00 C ATOM 302 C GLU A 19 2.438 -15.777 -0.338 1.00 0.00 C ATOM 303 O GLU A 19 2.442 -16.976 -0.057 1.00 0.00 O ATOM 304 CB GLU A 19 4.613 -14.864 0.527 1.00 0.00 C ATOM 305 CG GLU A 19 6.088 -14.733 0.190 1.00 0.00 C ATOM 306 CD GLU A 19 6.649 -16.001 -0.422 1.00 0.00 C ATOM 307 OE1 GLU A 19 6.848 -16.986 0.323 1.00 0.00 O ATOM 308 OE2 GLU A 19 6.879 -16.033 -1.650 1.00 0.00 O ATOM 0 H GLU A 19 3.699 -12.957 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 19 4.272 -15.671 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.289 -13.973 1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.474 -15.711 1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.229 -13.904 -0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.646 -14.490 1.095 1.00 0.00 H new ATOM 315 N ASN A 20 1.341 -15.034 -0.324 1.00 0.00 N ATOM 316 CA ASN A 20 0.025 -15.583 -0.027 1.00 0.00 C ATOM 317 C ASN A 20 -0.756 -15.813 -1.323 1.00 0.00 C ATOM 318 O ASN A 20 -1.988 -15.778 -1.338 1.00 0.00 O ATOM 319 CB ASN A 20 -0.742 -14.617 0.885 1.00 0.00 C ATOM 320 CG ASN A 20 -0.178 -14.560 2.295 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.617 -15.301 3.176 1.00 0.00 O ATOM 322 ND2 ASN A 20 0.789 -13.684 2.526 1.00 0.00 N ATOM 0 H ASN A 20 1.338 -14.033 -0.518 1.00 0.00 H new ATOM 0 HA ASN A 20 0.144 -16.539 0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.718 -13.618 0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.788 -14.921 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.195 -13.607 3.458 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.127 -13.087 1.771 1.00 0.00 H new ATOM 329 N SER A 21 -0.024 -16.090 -2.400 1.00 0.00 N ATOM 330 CA SER A 21 -0.598 -16.191 -3.740 1.00 0.00 C ATOM 331 C SER A 21 -1.450 -17.444 -3.931 1.00 0.00 C ATOM 332 O SER A 21 -2.338 -17.477 -4.786 1.00 0.00 O ATOM 333 CB SER A 21 0.516 -16.174 -4.778 1.00 0.00 C ATOM 334 OG SER A 21 1.602 -16.999 -4.371 1.00 0.00 O ATOM 0 H SER A 21 0.983 -16.251 -2.368 1.00 0.00 H new ATOM 0 HA SER A 21 -1.256 -15.331 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.130 -16.520 -5.737 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.866 -15.152 -4.925 1.00 0.00 H new ATOM 0 HG SER A 21 2.269 -16.455 -3.902 1.00 0.00 H new ATOM 340 N ASP A 22 -1.183 -18.476 -3.147 1.00 0.00 N ATOM 341 CA ASP A 22 -1.971 -19.706 -3.228 1.00 0.00 C ATOM 342 C ASP A 22 -3.418 -19.445 -2.824 1.00 0.00 C ATOM 343 O ASP A 22 -4.303 -20.261 -3.079 1.00 0.00 O ATOM 344 CB ASP A 22 -1.369 -20.820 -2.367 1.00 0.00 C ATOM 345 CG ASP A 22 -0.192 -21.501 -3.036 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.413 -22.424 -3.850 1.00 0.00 O ATOM 347 OD2 ASP A 22 0.963 -21.120 -2.753 1.00 0.00 O ATOM 0 H ASP A 22 -0.436 -18.492 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.951 -20.040 -4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.048 -20.403 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.138 -21.562 -2.149 1.00 0.00 H new ATOM 352 N GLY A 23 -3.647 -18.296 -2.197 1.00 0.00 N ATOM 353 CA GLY A 23 -4.990 -17.883 -1.869 1.00 0.00 C ATOM 354 C GLY A 23 -5.399 -16.622 -2.608 1.00 0.00 C ATOM 355 O GLY A 23 -6.494 -16.104 -2.392 1.00 0.00 O ATOM 0 H GLY A 23 -2.918 -17.643 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.685 -18.686 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.064 -17.713 -0.795 1.00 0.00 H new ATOM 359 N ALA A 24 -4.524 -16.126 -3.483 1.00 0.00 N ATOM 360 CA ALA A 24 -4.799 -14.907 -4.237 1.00 0.00 C ATOM 361 C ALA A 24 -3.903 -14.827 -5.466 1.00 0.00 C ATOM 362 O ALA A 24 -2.682 -14.769 -5.349 1.00 0.00 O ATOM 363 CB ALA A 24 -4.605 -13.679 -3.359 1.00 0.00 C ATOM 0 H ALA A 24 -3.619 -16.551 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.838 -14.935 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.815 -12.780 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.285 -13.729 -2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.576 -13.647 -3.000 1.00 0.00 H new ATOM 369 N SER A 25 -4.516 -14.813 -6.638 1.00 0.00 N ATOM 370 CA SER A 25 -3.779 -14.840 -7.893 1.00 0.00 C ATOM 371 C SER A 25 -2.886 -13.607 -8.040 1.00 0.00 C ATOM 372 O SER A 25 -3.175 -12.548 -7.477 1.00 0.00 O ATOM 373 CB SER A 25 -4.759 -14.925 -9.063 1.00 0.00 C ATOM 374 OG SER A 25 -4.108 -15.356 -10.245 1.00 0.00 O ATOM 0 H SER A 25 -5.530 -14.783 -6.748 1.00 0.00 H new ATOM 0 HA SER A 25 -3.135 -15.719 -7.894 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.565 -15.616 -8.816 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.215 -13.949 -9.231 1.00 0.00 H new ATOM 0 HG SER A 25 -4.757 -15.403 -10.977 1.00 0.00 H new ATOM 380 N LEU A 26 -1.809 -13.754 -8.813 1.00 0.00 N ATOM 381 CA LEU A 26 -0.826 -12.687 -9.001 1.00 0.00 C ATOM 382 C LEU A 26 -1.507 -11.399 -9.458 1.00 0.00 C ATOM 383 O LEU A 26 -1.226 -10.317 -8.936 1.00 0.00 O ATOM 384 CB LEU A 26 0.236 -13.135 -10.021 1.00 0.00 C ATOM 385 CG LEU A 26 1.523 -12.297 -10.087 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.625 -13.091 -10.771 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.295 -10.989 -10.835 1.00 0.00 C ATOM 0 H LEU A 26 -1.595 -14.611 -9.323 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.337 -12.485 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.511 -14.165 -9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.221 -13.136 -11.011 1.00 0.00 H new ATOM 0 HG LEU A 26 1.821 -12.059 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.533 -12.490 -10.814 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.820 -14.003 -10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.313 -13.349 -11.783 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.224 -10.420 -10.864 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.969 -11.204 -11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.528 -10.406 -10.324 1.00 0.00 H new ATOM 399 N GLN A 27 -2.415 -11.526 -10.421 1.00 0.00 N ATOM 400 CA GLN A 27 -3.159 -10.378 -10.926 1.00 0.00 C ATOM 401 C GLN A 27 -3.916 -9.690 -9.795 1.00 0.00 C ATOM 402 O GLN A 27 -3.900 -8.467 -9.682 1.00 0.00 O ATOM 403 CB GLN A 27 -4.155 -10.809 -12.007 1.00 0.00 C ATOM 404 CG GLN A 27 -4.809 -9.639 -12.730 1.00 0.00 C ATOM 405 CD GLN A 27 -4.163 -9.331 -14.074 1.00 0.00 C ATOM 406 OE1 GLN A 27 -2.894 -9.677 -14.233 1.00 0.00 O flip ATOM 407 NE2 GLN A 27 -4.814 -8.808 -14.976 1.00 0.00 N flip ATOM 0 H GLN A 27 -2.653 -12.412 -10.867 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.441 -9.681 -11.357 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.640 -11.435 -12.736 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.931 -11.424 -11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.865 -9.859 -12.883 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.757 -8.753 -12.097 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.789 -8.554 -14.820 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.379 -8.628 -15.881 1.00 0.00 H new ATOM 416 N GLN A 28 -4.553 -10.493 -8.947 1.00 0.00 N ATOM 417 CA GLN A 28 -5.374 -9.980 -7.856 1.00 0.00 C ATOM 418 C GLN A 28 -4.548 -9.194 -6.845 1.00 0.00 C ATOM 419 O GLN A 28 -5.033 -8.222 -6.275 1.00 0.00 O ATOM 420 CB GLN A 28 -6.114 -11.122 -7.155 1.00 0.00 C ATOM 421 CG GLN A 28 -7.421 -11.504 -7.828 1.00 0.00 C ATOM 422 CD GLN A 28 -8.426 -10.365 -7.815 1.00 0.00 C ATOM 423 OE1 GLN A 28 -8.470 -9.547 -8.736 1.00 0.00 O ATOM 424 NE2 GLN A 28 -9.242 -10.302 -6.771 1.00 0.00 N ATOM 0 H GLN A 28 -4.515 -11.511 -8.996 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.103 -9.298 -8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.464 -11.997 -7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.317 -10.833 -6.124 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.224 -11.801 -8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.849 -12.370 -7.323 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.175 -10.998 -6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.937 -9.558 -6.711 1.00 0.00 H new ATOM 433 N ILE A 29 -3.308 -9.610 -6.630 1.00 0.00 N ATOM 434 CA ILE A 29 -2.426 -8.914 -5.699 1.00 0.00 C ATOM 435 C ILE A 29 -2.236 -7.458 -6.128 1.00 0.00 C ATOM 436 O ILE A 29 -2.478 -6.530 -5.354 1.00 0.00 O ATOM 437 CB ILE A 29 -1.041 -9.604 -5.611 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.196 -11.079 -5.218 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.137 -8.875 -4.621 1.00 0.00 C ATOM 440 CD1 ILE A 29 -1.847 -11.287 -3.867 1.00 0.00 C ATOM 0 H ILE A 29 -2.890 -10.422 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.897 -8.948 -4.717 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.574 -9.559 -6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.789 -11.587 -5.978 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.213 -11.549 -5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.830 -9.376 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.003 -7.844 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.598 -8.883 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.922 -12.354 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.244 -10.809 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.845 -10.848 -3.872 1.00 0.00 H new ATOM 452 N ALA A 30 -1.815 -7.269 -7.373 1.00 0.00 N ATOM 453 CA ALA A 30 -1.598 -5.934 -7.919 1.00 0.00 C ATOM 454 C ALA A 30 -2.925 -5.215 -8.162 1.00 0.00 C ATOM 455 O ALA A 30 -3.011 -3.990 -8.045 1.00 0.00 O ATOM 456 CB ALA A 30 -0.791 -6.016 -9.209 1.00 0.00 C ATOM 0 H ALA A 30 -1.616 -8.027 -8.026 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.033 -5.356 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.636 -5.013 -9.606 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.175 -6.479 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.333 -6.616 -9.940 1.00 0.00 H new ATOM 462 N ASN A 31 -3.951 -5.987 -8.497 1.00 0.00 N ATOM 463 CA ASN A 31 -5.273 -5.442 -8.804 1.00 0.00 C ATOM 464 C ASN A 31 -5.920 -4.841 -7.561 1.00 0.00 C ATOM 465 O ASN A 31 -6.524 -3.767 -7.624 1.00 0.00 O ATOM 466 CB ASN A 31 -6.171 -6.542 -9.385 1.00 0.00 C ATOM 467 CG ASN A 31 -7.524 -6.037 -9.851 1.00 0.00 C ATOM 468 OD1 ASN A 31 -7.675 -4.886 -10.258 1.00 0.00 O ATOM 469 ND2 ASN A 31 -8.518 -6.908 -9.811 1.00 0.00 N ATOM 0 H ASN A 31 -3.894 -7.003 -8.564 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.152 -4.649 -9.542 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.659 -7.012 -10.225 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.321 -7.314 -8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.449 -6.634 -10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.354 -7.854 -9.467 1.00 0.00 H new ATOM 476 N ASP A 32 -5.784 -5.538 -6.439 1.00 0.00 N ATOM 477 CA ASP A 32 -6.346 -5.084 -5.173 1.00 0.00 C ATOM 478 C ASP A 32 -5.678 -3.800 -4.711 1.00 0.00 C ATOM 479 O ASP A 32 -6.349 -2.848 -4.311 1.00 0.00 O ATOM 480 CB ASP A 32 -6.176 -6.157 -4.099 1.00 0.00 C ATOM 481 CG ASP A 32 -6.743 -5.730 -2.757 1.00 0.00 C ATOM 482 OD1 ASP A 32 -7.980 -5.719 -2.608 1.00 0.00 O ATOM 483 OD2 ASP A 32 -5.951 -5.413 -1.846 1.00 0.00 O ATOM 0 H ASP A 32 -5.286 -6.426 -6.381 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.408 -4.893 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.670 -7.073 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.117 -6.389 -3.985 1.00 0.00 H new ATOM 488 N LEU A 33 -4.354 -3.773 -4.785 1.00 0.00 N ATOM 489 CA LEU A 33 -3.586 -2.628 -4.331 1.00 0.00 C ATOM 490 C LEU A 33 -3.777 -1.432 -5.258 1.00 0.00 C ATOM 491 O LEU A 33 -3.888 -0.295 -4.803 1.00 0.00 O ATOM 492 CB LEU A 33 -2.107 -2.996 -4.235 1.00 0.00 C ATOM 493 CG LEU A 33 -1.773 -4.080 -3.208 1.00 0.00 C ATOM 494 CD1 LEU A 33 -0.284 -4.384 -3.219 1.00 0.00 C ATOM 495 CD2 LEU A 33 -2.217 -3.649 -1.816 1.00 0.00 C ATOM 0 H LEU A 33 -3.790 -4.537 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.948 -2.345 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.767 -3.329 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.540 -2.098 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.312 -4.988 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.065 -5.157 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.009 -4.733 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.274 -3.480 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.972 -4.431 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.703 -2.728 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.294 -3.479 -1.814 1.00 0.00 H new ATOM 507 N GLY A 34 -3.835 -1.702 -6.552 1.00 0.00 N ATOM 508 CA GLY A 34 -3.983 -0.638 -7.524 1.00 0.00 C ATOM 509 C GLY A 34 -2.664 -0.275 -8.171 1.00 0.00 C ATOM 510 O GLY A 34 -2.390 0.896 -8.436 1.00 0.00 O ATOM 0 H GLY A 34 -3.782 -2.640 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.692 -0.945 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.403 0.242 -7.037 1.00 0.00 H new ATOM 514 N ILE A 35 -1.840 -1.283 -8.414 1.00 0.00 N ATOM 515 CA ILE A 35 -0.543 -1.079 -9.035 1.00 0.00 C ATOM 516 C ILE A 35 -0.405 -1.938 -10.284 1.00 0.00 C ATOM 517 O ILE A 35 -1.109 -2.941 -10.436 1.00 0.00 O ATOM 518 CB ILE A 35 0.609 -1.408 -8.061 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.439 -2.816 -7.475 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.674 -0.367 -6.953 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.574 -3.241 -6.574 1.00 0.00 C ATOM 0 H ILE A 35 -2.050 -2.255 -8.188 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.478 -0.026 -9.308 1.00 0.00 H new ATOM 0 HB ILE A 35 1.548 -1.385 -8.614 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.494 -2.855 -6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.349 -3.531 -8.292 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.490 -0.610 -6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.845 0.617 -7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.267 -0.362 -6.403 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.383 -4.246 -6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.507 -3.235 -7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.652 -2.549 -5.736 1.00 0.00 H new ATOM 533 N ASN A 36 0.486 -1.534 -11.182 1.00 0.00 N ATOM 534 CA ASN A 36 0.739 -2.290 -12.394 1.00 0.00 C ATOM 535 C ASN A 36 1.289 -3.666 -12.049 1.00 0.00 C ATOM 536 O ASN A 36 2.048 -3.817 -11.088 1.00 0.00 O ATOM 537 CB ASN A 36 1.721 -1.547 -13.292 1.00 0.00 C ATOM 538 CG ASN A 36 1.836 -2.178 -14.661 1.00 0.00 C ATOM 539 OD1 ASN A 36 2.648 -3.075 -14.880 1.00 0.00 O ATOM 540 ND2 ASN A 36 1.014 -1.724 -15.586 1.00 0.00 N ATOM 0 H ASN A 36 1.044 -0.685 -11.090 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.203 -2.408 -12.930 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.401 -0.511 -13.398 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.702 -1.531 -12.818 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.036 -2.119 -16.526 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.356 -0.978 -15.361 1.00 0.00 H new ATOM 547 N ARG A 37 0.914 -4.660 -12.839 1.00 0.00 N ATOM 548 CA ARG A 37 1.293 -6.035 -12.575 1.00 0.00 C ATOM 549 C ARG A 37 2.811 -6.189 -12.638 1.00 0.00 C ATOM 550 O ARG A 37 3.406 -6.958 -11.883 1.00 0.00 O ATOM 551 CB ARG A 37 0.631 -6.962 -13.596 1.00 0.00 C ATOM 552 CG ARG A 37 -0.760 -6.519 -14.043 1.00 0.00 C ATOM 553 CD ARG A 37 -1.724 -6.335 -12.877 1.00 0.00 C ATOM 554 NE ARG A 37 -3.030 -5.859 -13.337 1.00 0.00 N ATOM 555 CZ ARG A 37 -3.795 -4.979 -12.685 1.00 0.00 C ATOM 556 NH1 ARG A 37 -3.383 -4.429 -11.550 1.00 0.00 N ATOM 557 NH2 ARG A 37 -4.971 -4.623 -13.188 1.00 0.00 N ATOM 0 H ARG A 37 0.343 -4.536 -13.675 1.00 0.00 H new ATOM 0 HA ARG A 37 0.956 -6.306 -11.574 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.275 -7.035 -14.473 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.560 -7.962 -13.168 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.679 -5.581 -14.593 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.168 -7.258 -14.732 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.845 -7.281 -12.349 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.305 -5.624 -12.165 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.382 -6.227 -14.221 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.472 -4.677 -11.165 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.978 -3.759 -11.063 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.290 -5.021 -14.071 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.556 -3.951 -12.691 1.00 0.00 H new ATOM 571 N VAL A 38 3.429 -5.427 -13.533 1.00 0.00 N ATOM 572 CA VAL A 38 4.875 -5.461 -13.702 1.00 0.00 C ATOM 573 C VAL A 38 5.558 -4.720 -12.558 1.00 0.00 C ATOM 574 O VAL A 38 6.602 -5.145 -12.070 1.00 0.00 O ATOM 575 CB VAL A 38 5.308 -4.845 -15.053 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.818 -4.930 -15.228 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.598 -5.539 -16.206 1.00 0.00 C ATOM 0 H VAL A 38 2.948 -4.776 -14.154 1.00 0.00 H new ATOM 0 HA VAL A 38 5.180 -6.507 -13.694 1.00 0.00 H new ATOM 0 HB VAL A 38 5.024 -3.793 -15.054 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.099 -4.491 -16.185 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.309 -4.386 -14.421 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.129 -5.974 -15.203 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.914 -5.093 -17.149 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.850 -6.599 -16.203 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.520 -5.422 -16.093 1.00 0.00 H new ATOM 587 N THR A 39 4.949 -3.619 -12.119 1.00 0.00 N ATOM 588 CA THR A 39 5.476 -2.849 -10.999 1.00 0.00 C ATOM 589 C THR A 39 5.526 -3.708 -9.733 1.00 0.00 C ATOM 590 O THR A 39 6.471 -3.619 -8.949 1.00 0.00 O ATOM 591 CB THR A 39 4.621 -1.595 -10.747 1.00 0.00 C ATOM 592 OG1 THR A 39 4.439 -0.887 -11.980 1.00 0.00 O ATOM 593 CG2 THR A 39 5.280 -0.673 -9.733 1.00 0.00 C ATOM 0 H THR A 39 4.091 -3.243 -12.523 1.00 0.00 H new ATOM 0 HA THR A 39 6.488 -2.535 -11.254 1.00 0.00 H new ATOM 0 HB THR A 39 3.658 -1.914 -10.348 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.893 -0.089 -11.821 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.652 0.204 -9.576 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.407 -1.202 -8.788 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.255 -0.359 -10.106 1.00 0.00 H new ATOM 601 N LEU A 40 4.509 -4.546 -9.556 1.00 0.00 N ATOM 602 CA LEU A 40 4.476 -5.498 -8.451 1.00 0.00 C ATOM 603 C LEU A 40 5.674 -6.442 -8.530 1.00 0.00 C ATOM 604 O LEU A 40 6.456 -6.552 -7.587 1.00 0.00 O ATOM 605 CB LEU A 40 3.175 -6.303 -8.487 1.00 0.00 C ATOM 606 CG LEU A 40 3.053 -7.400 -7.425 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.978 -6.798 -6.029 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.839 -8.275 -7.700 1.00 0.00 C ATOM 0 H LEU A 40 3.693 -4.585 -10.167 1.00 0.00 H new ATOM 0 HA LEU A 40 4.525 -4.944 -7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.338 -5.614 -8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.078 -6.761 -9.471 1.00 0.00 H new ATOM 0 HG LEU A 40 3.945 -8.024 -7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.892 -7.597 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.881 -6.220 -5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.107 -6.146 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.768 -9.049 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.937 -7.663 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.941 -8.741 -8.680 1.00 0.00 H new ATOM 620 N LYS A 41 5.806 -7.102 -9.677 1.00 0.00 N ATOM 621 CA LYS A 41 6.901 -8.037 -9.928 1.00 0.00 C ATOM 622 C LYS A 41 8.249 -7.368 -9.684 1.00 0.00 C ATOM 623 O LYS A 41 9.155 -7.952 -9.085 1.00 0.00 O ATOM 624 CB LYS A 41 6.823 -8.511 -11.376 1.00 0.00 C ATOM 625 CG LYS A 41 7.786 -9.635 -11.719 1.00 0.00 C ATOM 626 CD LYS A 41 7.784 -9.905 -13.214 1.00 0.00 C ATOM 627 CE LYS A 41 8.642 -11.105 -13.583 1.00 0.00 C ATOM 628 NZ LYS A 41 8.630 -11.351 -15.048 1.00 0.00 N ATOM 0 H LYS A 41 5.158 -7.005 -10.459 1.00 0.00 H new ATOM 0 HA LYS A 41 6.809 -8.883 -9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.806 -8.844 -11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.021 -7.665 -12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.792 -9.371 -11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.504 -10.540 -11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.761 -10.075 -13.549 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.149 -9.024 -13.741 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.666 -10.938 -13.249 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.277 -11.989 -13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.225 -12.176 -15.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.655 -11.534 -15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.002 -10.516 -15.543 1.00 0.00 H new ATOM 642 N ASN A 42 8.351 -6.138 -10.161 1.00 0.00 N ATOM 643 CA ASN A 42 9.555 -5.323 -10.019 1.00 0.00 C ATOM 644 C ASN A 42 9.969 -5.228 -8.562 1.00 0.00 C ATOM 645 O ASN A 42 11.098 -5.567 -8.192 1.00 0.00 O ATOM 646 CB ASN A 42 9.263 -3.923 -10.547 1.00 0.00 C ATOM 647 CG ASN A 42 10.512 -3.149 -10.915 1.00 0.00 C ATOM 648 OD1 ASN A 42 11.546 -3.726 -11.248 1.00 0.00 O ATOM 649 ND2 ASN A 42 10.417 -1.829 -10.878 1.00 0.00 N ATOM 0 H ASN A 42 7.596 -5.670 -10.662 1.00 0.00 H new ATOM 0 HA ASN A 42 10.366 -5.785 -10.583 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.620 -4.000 -11.424 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.708 -3.366 -9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.220 -1.253 -11.131 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.541 -1.388 -10.596 1.00 0.00 H new ATOM 656 N TRP A 43 9.039 -4.764 -7.743 1.00 0.00 N ATOM 657 CA TRP A 43 9.269 -4.634 -6.307 1.00 0.00 C ATOM 658 C TRP A 43 9.616 -5.981 -5.677 1.00 0.00 C ATOM 659 O TRP A 43 10.493 -6.058 -4.821 1.00 0.00 O ATOM 660 CB TRP A 43 8.047 -4.036 -5.606 1.00 0.00 C ATOM 661 CG TRP A 43 7.778 -2.604 -5.967 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.657 -1.705 -6.506 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.545 -1.899 -5.793 1.00 0.00 C ATOM 664 NE1 TRP A 43 8.040 -0.491 -6.686 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.745 -0.585 -6.256 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.291 -2.257 -5.294 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.737 0.372 -6.235 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.290 -1.306 -5.270 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.517 -0.003 -5.738 1.00 0.00 C ATOM 0 H TRP A 43 8.111 -4.469 -8.047 1.00 0.00 H new ATOM 0 HA TRP A 43 10.115 -3.960 -6.176 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.170 -4.634 -5.854 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.188 -4.108 -4.528 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.686 -1.919 -6.754 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.476 0.344 -7.077 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.107 -3.258 -4.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.910 1.375 -6.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.316 -1.570 -4.885 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.714 0.719 -5.706 1.00 0.00 H new ATOM 680 N ILE A 44 8.933 -7.036 -6.106 1.00 0.00 N ATOM 681 CA ILE A 44 9.177 -8.378 -5.574 1.00 0.00 C ATOM 682 C ILE A 44 10.628 -8.806 -5.797 1.00 0.00 C ATOM 683 O ILE A 44 11.284 -9.306 -4.880 1.00 0.00 O ATOM 684 CB ILE A 44 8.232 -9.425 -6.213 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.771 -9.078 -5.918 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.552 -10.831 -5.715 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.773 -9.959 -6.645 1.00 0.00 C ATOM 0 H ILE A 44 8.206 -6.992 -6.820 1.00 0.00 H new ATOM 0 HA ILE A 44 8.977 -8.332 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 44 8.388 -9.403 -7.292 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.598 -9.158 -4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.592 -8.039 -6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.873 -11.545 -6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.580 -11.084 -5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.433 -10.869 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.760 -9.652 -6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.917 -9.861 -7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.924 -10.998 -6.352 1.00 0.00 H new ATOM 699 N ILE A 45 11.127 -8.596 -7.008 1.00 0.00 N ATOM 700 CA ILE A 45 12.489 -8.982 -7.352 1.00 0.00 C ATOM 701 C ILE A 45 13.509 -8.107 -6.623 1.00 0.00 C ATOM 702 O ILE A 45 14.468 -8.610 -6.034 1.00 0.00 O ATOM 703 CB ILE A 45 12.726 -8.897 -8.875 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.746 -9.812 -9.621 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.166 -9.263 -9.213 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.843 -9.711 -11.130 1.00 0.00 C ATOM 0 H ILE A 45 10.608 -8.160 -7.770 1.00 0.00 H new ATOM 0 HA ILE A 45 12.621 -10.016 -7.035 1.00 0.00 H new ATOM 0 HB ILE A 45 12.550 -7.870 -9.196 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.929 -10.844 -9.323 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.729 -9.567 -9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.315 -9.198 -10.291 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.844 -8.573 -8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.371 -10.280 -8.880 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.120 -10.387 -11.587 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.630 -8.688 -11.441 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.848 -9.986 -11.449 1.00 0.00 H new ATOM 718 N LYS A 46 13.280 -6.800 -6.643 1.00 0.00 N ATOM 719 CA LYS A 46 14.219 -5.848 -6.057 1.00 0.00 C ATOM 720 C LYS A 46 14.210 -5.911 -4.530 1.00 0.00 C ATOM 721 O LYS A 46 15.252 -6.083 -3.901 1.00 0.00 O ATOM 722 CB LYS A 46 13.891 -4.425 -6.523 1.00 0.00 C ATOM 723 CG LYS A 46 14.746 -3.352 -5.866 1.00 0.00 C ATOM 724 CD LYS A 46 14.419 -1.972 -6.409 1.00 0.00 C ATOM 725 CE LYS A 46 15.156 -0.881 -5.649 1.00 0.00 C ATOM 726 NZ LYS A 46 16.627 -1.094 -5.635 1.00 0.00 N ATOM 0 H LYS A 46 12.452 -6.373 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 46 15.218 -6.120 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.020 -4.368 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.841 -4.218 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.586 -3.367 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.800 -3.571 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.685 -1.924 -7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.345 -1.800 -6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.936 0.086 -6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.787 -0.844 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.097 -0.247 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.854 -1.913 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.961 -1.272 -6.604 1.00 0.00 H new ATOM 740 N TYR A 47 13.038 -5.787 -3.935 1.00 0.00 N ATOM 741 CA TYR A 47 12.940 -5.694 -2.486 1.00 0.00 C ATOM 742 C TYR A 47 13.031 -7.064 -1.831 1.00 0.00 C ATOM 743 O TYR A 47 13.471 -7.176 -0.688 1.00 0.00 O ATOM 744 CB TYR A 47 11.661 -4.961 -2.080 1.00 0.00 C ATOM 745 CG TYR A 47 11.701 -3.498 -2.457 1.00 0.00 C ATOM 746 CD1 TYR A 47 11.347 -3.079 -3.731 1.00 0.00 C ATOM 747 CD2 TYR A 47 12.119 -2.540 -1.543 1.00 0.00 C ATOM 748 CE1 TYR A 47 11.413 -1.748 -4.088 1.00 0.00 C ATOM 749 CE2 TYR A 47 12.181 -1.205 -1.891 1.00 0.00 C ATOM 750 CZ TYR A 47 11.828 -0.815 -3.166 1.00 0.00 C ATOM 751 OH TYR A 47 11.896 0.513 -3.518 1.00 0.00 O ATOM 0 H TYR A 47 12.145 -5.748 -4.427 1.00 0.00 H new ATOM 0 HA TYR A 47 13.790 -5.113 -2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.804 -5.435 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.516 -5.054 -1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.014 -3.807 -4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.400 -2.843 -0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.140 -1.440 -5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.504 -0.470 -1.169 1.00 0.00 H new ATOM 0 HH TYR A 47 12.066 1.055 -2.719 1.00 0.00 H new ATOM 761 N GLY A 48 12.654 -8.103 -2.570 1.00 0.00 N ATOM 762 CA GLY A 48 12.833 -9.464 -2.093 1.00 0.00 C ATOM 763 C GLY A 48 14.295 -9.869 -2.078 1.00 0.00 C ATOM 764 O GLY A 48 14.658 -10.910 -1.526 1.00 0.00 O ATOM 0 H GLY A 48 12.227 -8.027 -3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.421 -9.554 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.273 -10.149 -2.730 1.00 0.00 H new ATOM 928 N ALA A 61 2.410 4.736 9.738 1.00 0.00 N ATOM 929 CA ALA A 61 1.649 4.387 8.544 1.00 0.00 C ATOM 930 C ALA A 61 0.459 3.491 8.876 1.00 0.00 C ATOM 931 O ALA A 61 -0.372 3.197 8.017 1.00 0.00 O ATOM 932 CB ALA A 61 2.553 3.712 7.524 1.00 0.00 C ATOM 0 HA ALA A 61 1.257 5.310 8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.973 3.456 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.360 4.391 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.975 2.804 7.956 1.00 0.00 H new ATOM 938 N VAL A 62 0.371 3.082 10.129 1.00 0.00 N ATOM 939 CA VAL A 62 -0.742 2.265 10.591 1.00 0.00 C ATOM 940 C VAL A 62 -1.961 3.146 10.864 1.00 0.00 C ATOM 941 O VAL A 62 -3.105 2.727 10.679 1.00 0.00 O ATOM 942 CB VAL A 62 -0.370 1.466 11.864 1.00 0.00 C ATOM 943 CG1 VAL A 62 -1.541 0.615 12.333 1.00 0.00 C ATOM 944 CG2 VAL A 62 0.849 0.591 11.604 1.00 0.00 C ATOM 0 H VAL A 62 1.059 3.302 10.849 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.981 1.549 9.804 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.129 2.178 12.653 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.254 0.064 13.228 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.391 1.259 12.560 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.818 -0.088 11.547 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.098 0.036 12.508 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.629 -0.109 10.798 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.694 1.219 11.320 1.00 0.00 H new ATOM 954 N SER A 63 -1.704 4.381 11.271 1.00 0.00 N ATOM 955 CA SER A 63 -2.773 5.326 11.564 1.00 0.00 C ATOM 956 C SER A 63 -3.428 5.806 10.271 1.00 0.00 C ATOM 957 O SER A 63 -4.655 5.867 10.163 1.00 0.00 O ATOM 958 CB SER A 63 -2.219 6.528 12.334 1.00 0.00 C ATOM 959 OG SER A 63 -1.406 6.116 13.423 1.00 0.00 O ATOM 0 H SER A 63 -0.764 4.753 11.406 1.00 0.00 H new ATOM 0 HA SER A 63 -3.521 4.821 12.175 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.636 7.156 11.660 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.044 7.137 12.704 1.00 0.00 H new ATOM 0 HG SER A 63 -1.066 6.905 13.894 1.00 0.00 H new ATOM 965 N GLU A 64 -2.592 6.107 9.284 1.00 0.00 N ATOM 966 CA GLU A 64 -3.043 6.712 8.039 1.00 0.00 C ATOM 967 C GLU A 64 -3.845 5.723 7.198 1.00 0.00 C ATOM 968 O GLU A 64 -4.633 6.123 6.339 1.00 0.00 O ATOM 969 CB GLU A 64 -1.836 7.218 7.247 1.00 0.00 C ATOM 970 CG GLU A 64 -1.995 8.639 6.739 1.00 0.00 C ATOM 971 CD GLU A 64 -2.119 9.641 7.869 1.00 0.00 C ATOM 972 OE1 GLU A 64 -1.077 10.147 8.341 1.00 0.00 O ATOM 973 OE2 GLU A 64 -3.255 9.917 8.302 1.00 0.00 O ATOM 0 H GLU A 64 -1.587 5.939 9.325 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.697 7.549 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.949 7.164 7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.665 6.555 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.138 8.899 6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.879 8.699 6.104 1.00 0.00 H new ATOM 980 N ALA A 65 -3.656 4.436 7.467 1.00 0.00 N ATOM 981 CA ALA A 65 -4.328 3.376 6.721 1.00 0.00 C ATOM 982 C ALA A 65 -5.846 3.509 6.805 1.00 0.00 C ATOM 983 O ALA A 65 -6.565 3.086 5.899 1.00 0.00 O ATOM 984 CB ALA A 65 -3.887 2.013 7.231 1.00 0.00 C ATOM 0 H ALA A 65 -3.037 4.098 8.204 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.044 3.473 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.395 1.231 6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.809 1.909 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.140 1.920 8.287 1.00 0.00 H new ATOM 990 N GLU A 66 -6.318 4.113 7.889 1.00 0.00 N ATOM 991 CA GLU A 66 -7.743 4.337 8.097 1.00 0.00 C ATOM 992 C GLU A 66 -8.309 5.217 6.984 1.00 0.00 C ATOM 993 O GLU A 66 -9.348 4.915 6.396 1.00 0.00 O ATOM 994 CB GLU A 66 -7.957 5.006 9.456 1.00 0.00 C ATOM 995 CG GLU A 66 -9.408 5.046 9.906 1.00 0.00 C ATOM 996 CD GLU A 66 -9.558 5.570 11.318 1.00 0.00 C ATOM 997 OE1 GLU A 66 -9.032 4.927 12.249 1.00 0.00 O ATOM 998 OE2 GLU A 66 -10.210 6.615 11.508 1.00 0.00 O ATOM 0 H GLU A 66 -5.727 4.460 8.645 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.264 3.380 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.370 4.477 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.573 6.025 9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.980 5.676 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.832 4.044 9.846 1.00 0.00 H new ATOM 1005 N GLN A 67 -7.592 6.289 6.691 1.00 0.00 N ATOM 1006 CA GLN A 67 -8.000 7.234 5.665 1.00 0.00 C ATOM 1007 C GLN A 67 -7.708 6.670 4.281 1.00 0.00 C ATOM 1008 O GLN A 67 -8.473 6.878 3.342 1.00 0.00 O ATOM 1009 CB GLN A 67 -7.270 8.562 5.865 1.00 0.00 C ATOM 1010 CG GLN A 67 -7.557 9.210 7.210 1.00 0.00 C ATOM 1011 CD GLN A 67 -6.650 10.386 7.503 1.00 0.00 C ATOM 1012 OE1 GLN A 67 -6.195 11.083 6.596 1.00 0.00 O ATOM 1013 NE2 GLN A 67 -6.384 10.616 8.779 1.00 0.00 N ATOM 0 H GLN A 67 -6.715 6.528 7.155 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.073 7.406 5.746 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.197 8.396 5.771 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.557 9.250 5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.595 9.543 7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.444 8.465 7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.782 10.014 9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.781 11.396 9.042 1.00 0.00 H new ATOM 1022 N ILE A 68 -6.603 5.939 4.174 1.00 0.00 N ATOM 1023 CA ILE A 68 -6.201 5.321 2.916 1.00 0.00 C ATOM 1024 C ILE A 68 -7.273 4.352 2.408 1.00 0.00 C ATOM 1025 O ILE A 68 -7.631 4.371 1.228 1.00 0.00 O ATOM 1026 CB ILE A 68 -4.857 4.572 3.069 1.00 0.00 C ATOM 1027 CG1 ILE A 68 -3.728 5.563 3.369 1.00 0.00 C ATOM 1028 CG2 ILE A 68 -4.538 3.751 1.822 1.00 0.00 C ATOM 1029 CD1 ILE A 68 -2.384 4.905 3.620 1.00 0.00 C ATOM 0 H ILE A 68 -5.966 5.759 4.950 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.078 6.122 2.188 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.946 3.881 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.632 6.254 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.000 6.156 4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.587 3.236 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.328 3.018 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.471 4.412 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.636 5.671 3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.461 4.235 4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.088 4.335 2.739 1.00 0.00 H new ATOM 1041 N ARG A 69 -7.792 3.520 3.305 1.00 0.00 N ATOM 1042 CA ARG A 69 -8.799 2.528 2.939 1.00 0.00 C ATOM 1043 C ARG A 69 -10.092 3.206 2.489 1.00 0.00 C ATOM 1044 O ARG A 69 -10.761 2.742 1.564 1.00 0.00 O ATOM 1045 CB ARG A 69 -9.074 1.592 4.121 1.00 0.00 C ATOM 1046 CG ARG A 69 -9.891 0.363 3.755 1.00 0.00 C ATOM 1047 CD ARG A 69 -10.090 -0.543 4.959 1.00 0.00 C ATOM 1048 NE ARG A 69 -10.711 -1.813 4.597 1.00 0.00 N ATOM 1049 CZ ARG A 69 -11.564 -2.477 5.376 1.00 0.00 C ATOM 1050 NH1 ARG A 69 -11.952 -1.965 6.537 1.00 0.00 N ATOM 1051 NH2 ARG A 69 -12.038 -3.653 4.982 1.00 0.00 N ATOM 0 H ARG A 69 -7.532 3.512 4.291 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.414 1.941 2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -8.123 1.271 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.599 2.148 4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.861 0.671 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.388 -0.188 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.126 -0.733 5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.711 -0.034 5.696 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.477 -2.218 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.597 -1.057 6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.605 -2.479 7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.749 -4.045 4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.691 -4.164 5.576 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.427 4.309 3.141 1.00 0.00 N ATOM 1066 CA GLN A 70 -11.609 5.079 2.798 1.00 0.00 C ATOM 1067 C GLN A 70 -11.410 5.778 1.454 1.00 0.00 C ATOM 1068 O GLN A 70 -12.332 5.881 0.650 1.00 0.00 O ATOM 1069 CB GLN A 70 -11.868 6.117 3.889 1.00 0.00 C ATOM 1070 CG GLN A 70 -13.337 6.318 4.238 1.00 0.00 C ATOM 1071 CD GLN A 70 -14.182 6.809 3.074 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -14.769 6.019 2.336 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -14.257 8.122 2.904 1.00 0.00 N ATOM 0 H GLN A 70 -9.889 4.693 3.918 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.465 4.409 2.720 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.332 5.819 4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.450 7.072 3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.747 5.375 4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.412 7.034 5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.757 8.747 3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.815 8.506 2.142 1.00 0.00 H new ATOM 1082 N LEU A 71 -10.188 6.251 1.222 1.00 0.00 N ATOM 1083 CA LEU A 71 -9.859 6.989 0.009 1.00 0.00 C ATOM 1084 C LEU A 71 -9.922 6.092 -1.223 1.00 0.00 C ATOM 1085 O LEU A 71 -10.494 6.473 -2.246 1.00 0.00 O ATOM 1086 CB LEU A 71 -8.465 7.612 0.132 1.00 0.00 C ATOM 1087 CG LEU A 71 -8.038 8.494 -1.044 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -8.961 9.699 -1.162 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -6.595 8.940 -0.873 1.00 0.00 C ATOM 0 H LEU A 71 -9.405 6.134 1.865 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.599 7.780 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.431 8.208 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.735 6.810 0.248 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.111 7.912 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.646 10.318 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.984 9.359 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.915 10.284 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.305 9.566 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.497 9.509 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.946 8.065 -0.831 1.00 0.00 H new ATOM 1101 N LYS A 72 -9.336 4.902 -1.127 1.00 0.00 N ATOM 1102 CA LYS A 72 -9.335 3.974 -2.253 1.00 0.00 C ATOM 1103 C LYS A 72 -10.686 3.282 -2.389 1.00 0.00 C ATOM 1104 O LYS A 72 -11.011 2.747 -3.452 1.00 0.00 O ATOM 1105 CB LYS A 72 -8.223 2.926 -2.115 1.00 0.00 C ATOM 1106 CG LYS A 72 -8.389 1.986 -0.928 1.00 0.00 C ATOM 1107 CD LYS A 72 -7.390 0.842 -0.986 1.00 0.00 C ATOM 1108 CE LYS A 72 -7.603 -0.012 -2.226 1.00 0.00 C ATOM 1109 NZ LYS A 72 -6.552 -1.048 -2.379 1.00 0.00 N ATOM 0 H LYS A 72 -8.861 4.560 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.146 4.558 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.183 2.334 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.266 3.439 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.255 2.542 0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.403 1.586 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.376 1.241 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.489 0.224 -0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.580 -0.493 -2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.612 0.628 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.876 -1.776 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.682 -0.609 -2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.360 -1.487 -1.456 1.00 0.00 H new