USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 36 LYS NZ :NH3+ 166:sc= 1.51 (180deg=-0.424!) USER MOD Set 1.2: A 39 ASN : amide:sc= 0.848 K(o=2.4,f=-3.8) USER MOD Set 2.1: A 18 THR OG1 : rot -24:sc= 0.853 USER MOD Set 2.2: A 21 THR OG1 : rot 129:sc= 1.26 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 152:sc= -4.14! USER MOD Single : A 17 THR OG1 : rot -77:sc= 1.84 USER MOD Single : A 20 GLN : amide:sc= 0.343 K(o=0.34,f=-1.3) USER MOD Single : A 27 SER OG : rot -13:sc= 0.489 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.02 F(o=-1.1,f=-0.02) USER MOD Single : A 35 SER OG : rot 37:sc= 0.271 USER MOD Single : A 53 THR OG1 : rot 167:sc= 0.284 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0.406 (180deg=-0.242) USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= -0.637! (180deg=-1.09!) USER MOD Single : A 60 MET CE :methyl 164:sc= -0.69 (180deg=-1.13) USER MOD Single : A 67 MET CE :methyl 165:sc= -0.441 (180deg=-1.23) USER MOD Single : A 68 ASN : amide:sc= -0.394 K(o=-0.39,f=-5.5!) USER MOD Single : A 70 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.25) USER MOD Single : A 76 ASN : amide:sc= 2 K(o=2,f=-0.0026) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.178 K(o=-0.18,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 68 N GLU A 5 10.893 9.377 0.289 1.00 0.00 N ATOM 69 CA GLU A 5 9.799 8.507 0.723 1.00 0.00 C ATOM 70 C GLU A 5 9.071 7.888 -0.473 1.00 0.00 C ATOM 71 O GLU A 5 8.510 8.600 -1.338 1.00 0.00 O ATOM 72 CB GLU A 5 8.806 9.305 1.571 1.00 0.00 C ATOM 73 CG GLU A 5 9.447 10.321 2.520 1.00 0.00 C ATOM 74 CD GLU A 5 10.423 9.748 3.543 1.00 0.00 C ATOM 75 OE1 GLU A 5 11.502 9.249 3.161 1.00 0.00 O ATOM 76 OE2 GLU A 5 10.164 9.831 4.766 1.00 0.00 O1- ATOM 0 HA GLU A 5 10.227 7.700 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.122 9.831 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.207 8.608 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.972 11.067 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.653 10.842 3.055 1.00 0.00 H new ATOM 83 N TYR A 6 9.073 6.592 -0.510 1.00 0.00 N ATOM 84 CA TYR A 6 8.540 5.872 -1.627 1.00 0.00 C ATOM 85 C TYR A 6 7.114 5.431 -1.407 1.00 0.00 C ATOM 86 O TYR A 6 6.812 4.586 -0.565 1.00 0.00 O ATOM 87 CB TYR A 6 9.448 4.711 -2.064 1.00 0.00 C ATOM 88 CG TYR A 6 10.750 5.165 -2.711 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.731 6.072 -3.769 1.00 0.00 C ATOM 90 CD2 TYR A 6 11.991 4.707 -2.267 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.901 6.501 -4.366 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.160 5.134 -2.865 1.00 0.00 C ATOM 93 CZ TYR A 6 13.111 6.026 -3.909 1.00 0.00 C ATOM 94 OH TYR A 6 14.280 6.434 -4.500 1.00 0.00 O ATOM 0 H TYR A 6 9.445 6.001 0.234 1.00 0.00 H new ATOM 0 HA TYR A 6 8.517 6.577 -2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.679 4.095 -1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.904 4.080 -2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.784 6.447 -4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.038 4.009 -1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.867 7.204 -5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.113 4.767 -2.512 1.00 0.00 H new ATOM 0 HH TYR A 6 15.039 6.004 -4.054 1.00 0.00 H new ATOM 104 N ARG A 7 6.252 6.014 -2.183 1.00 0.00 N ATOM 105 CA ARG A 7 4.840 5.767 -2.143 1.00 0.00 C ATOM 106 C ARG A 7 4.527 4.542 -3.028 1.00 0.00 C ATOM 107 O ARG A 7 5.076 4.394 -4.114 1.00 0.00 O ATOM 108 CB ARG A 7 4.136 7.034 -2.680 1.00 0.00 C ATOM 109 CG ARG A 7 2.616 6.997 -2.752 1.00 0.00 C ATOM 110 CD ARG A 7 1.949 7.048 -1.388 1.00 0.00 C ATOM 111 NE ARG A 7 2.245 8.272 -0.620 1.00 0.00 N ATOM 112 CZ ARG A 7 1.929 8.404 0.689 1.00 0.00 C ATOM 113 NH1 ARG A 7 1.077 7.546 1.255 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 2.425 9.405 1.418 1.00 0.00 N ATOM 0 H ARG A 7 6.521 6.700 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 7 4.492 5.556 -1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.426 7.876 -2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.519 7.237 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.267 7.838 -3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.305 6.088 -3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.870 6.966 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.266 6.182 -0.807 1.00 0.00 H new ATOM 0 HE ARG A 7 2.706 9.049 -1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.667 6.794 0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.836 7.642 2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.053 10.085 0.990 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.177 9.490 2.404 1.00 0.00 H new ATOM 128 N CYS A 8 3.716 3.662 -2.535 1.00 0.00 N ATOM 129 CA CYS A 8 3.287 2.488 -3.267 1.00 0.00 C ATOM 130 C CYS A 8 1.809 2.614 -3.563 1.00 0.00 C ATOM 131 O CYS A 8 1.066 3.187 -2.757 1.00 0.00 O ATOM 132 CB CYS A 8 3.523 1.243 -2.425 1.00 0.00 C ATOM 133 SG CYS A 8 5.206 1.081 -1.828 1.00 0.00 S ATOM 0 H CYS A 8 3.320 3.729 -1.597 1.00 0.00 H new ATOM 0 HA CYS A 8 3.853 2.407 -4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.845 1.259 -1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.271 0.363 -3.016 1.00 0.00 H new ATOM 0 HG CYS A 8 5.208 0.415 -0.712 1.00 0.00 H new ATOM 139 N PHE A 9 1.389 2.097 -4.685 1.00 0.00 N ATOM 140 CA PHE A 9 0.007 2.158 -5.095 1.00 0.00 C ATOM 141 C PHE A 9 -0.594 0.767 -5.009 1.00 0.00 C ATOM 142 O PHE A 9 -0.080 -0.179 -5.623 1.00 0.00 O ATOM 143 CB PHE A 9 -0.080 2.746 -6.523 1.00 0.00 C ATOM 144 CG PHE A 9 -1.462 2.766 -7.150 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.553 3.310 -6.490 1.00 0.00 C ATOM 146 CD2 PHE A 9 -1.651 2.257 -8.422 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.800 3.335 -7.088 1.00 0.00 C ATOM 148 CE2 PHE A 9 -2.893 2.277 -9.022 1.00 0.00 C ATOM 149 CZ PHE A 9 -3.969 2.815 -8.354 1.00 0.00 C ATOM 0 H PHE A 9 1.998 1.617 -5.348 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.565 2.812 -4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.301 3.767 -6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.583 2.174 -7.171 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.428 3.719 -5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.811 1.836 -8.955 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.642 3.762 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.021 1.871 -10.015 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.943 2.830 -8.820 1.00 0.00 H new ATOM 159 N VAL A 10 -1.632 0.624 -4.205 1.00 0.00 N ATOM 160 CA VAL A 10 -2.272 -0.654 -4.022 1.00 0.00 C ATOM 161 C VAL A 10 -3.765 -0.527 -4.300 1.00 0.00 C ATOM 162 O VAL A 10 -4.482 0.161 -3.581 1.00 0.00 O ATOM 163 CB VAL A 10 -2.079 -1.198 -2.572 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.644 -2.605 -2.437 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.615 -1.169 -2.152 1.00 0.00 C ATOM 0 H VAL A 10 -2.047 1.385 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.809 -1.353 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.631 -0.538 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.496 -2.960 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.710 -2.593 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.131 -3.271 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.520 -1.555 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.029 -1.788 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.247 -0.144 -2.186 1.00 0.00 H new ATOM 175 N GLY A 11 -4.209 -1.176 -5.331 1.00 0.00 N ATOM 176 CA GLY A 11 -5.601 -1.195 -5.678 1.00 0.00 C ATOM 177 C GLY A 11 -6.144 -2.597 -5.603 1.00 0.00 C ATOM 178 O GLY A 11 -5.376 -3.554 -5.664 1.00 0.00 O ATOM 0 H GLY A 11 -3.613 -1.712 -5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.159 -0.546 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.736 -0.800 -6.685 1.00 0.00 H new ATOM 182 N GLY A 12 -7.438 -2.727 -5.452 1.00 0.00 N ATOM 183 CA GLY A 12 -8.046 -4.040 -5.367 1.00 0.00 C ATOM 184 C GLY A 12 -8.318 -4.412 -3.932 1.00 0.00 C ATOM 185 O GLY A 12 -8.542 -5.572 -3.608 1.00 0.00 O ATOM 0 H GLY A 12 -8.092 -1.947 -5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.977 -4.052 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.388 -4.781 -5.821 1.00 0.00 H new ATOM 189 N LEU A 13 -8.319 -3.411 -3.080 1.00 0.00 N ATOM 190 CA LEU A 13 -8.526 -3.603 -1.665 1.00 0.00 C ATOM 191 C LEU A 13 -10.000 -3.810 -1.377 1.00 0.00 C ATOM 192 O LEU A 13 -10.864 -3.471 -2.196 1.00 0.00 O ATOM 193 CB LEU A 13 -7.973 -2.414 -0.869 1.00 0.00 C ATOM 194 CG LEU A 13 -6.463 -2.159 -0.999 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.056 -0.951 -0.202 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.670 -3.363 -0.538 1.00 0.00 C ATOM 0 H LEU A 13 -8.176 -2.438 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.985 -4.495 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.502 -1.514 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.206 -2.568 0.185 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.248 -1.978 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.983 -0.789 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.593 -0.076 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.296 -1.111 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.604 -3.158 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.901 -3.573 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.933 -4.227 -1.148 1.00 0.00 H new ATOM 208 N ALA A 14 -10.294 -4.330 -0.225 1.00 0.00 N ATOM 209 CA ALA A 14 -11.634 -4.666 0.115 1.00 0.00 C ATOM 210 C ALA A 14 -12.329 -3.527 0.836 1.00 0.00 C ATOM 211 O ALA A 14 -11.699 -2.589 1.304 1.00 0.00 O ATOM 212 CB ALA A 14 -11.653 -5.926 0.957 1.00 0.00 C ATOM 0 H ALA A 14 -9.609 -4.532 0.503 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.183 -4.848 -0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.682 -6.177 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.209 -6.747 0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.081 -5.762 1.870 1.00 0.00 H new ATOM 218 N TRP A 15 -13.633 -3.669 0.965 1.00 0.00 N ATOM 219 CA TRP A 15 -14.527 -2.704 1.614 1.00 0.00 C ATOM 220 C TRP A 15 -14.312 -2.714 3.148 1.00 0.00 C ATOM 221 O TRP A 15 -14.915 -1.934 3.894 1.00 0.00 O ATOM 222 CB TRP A 15 -15.973 -3.089 1.230 1.00 0.00 C ATOM 223 CG TRP A 15 -17.068 -2.147 1.650 1.00 0.00 C ATOM 224 CD1 TRP A 15 -18.065 -2.407 2.545 1.00 0.00 C ATOM 225 CD2 TRP A 15 -17.290 -0.810 1.178 1.00 0.00 C ATOM 226 NE1 TRP A 15 -18.904 -1.321 2.647 1.00 0.00 N ATOM 227 CE2 TRP A 15 -18.445 -0.327 1.818 1.00 0.00 C ATOM 228 CE3 TRP A 15 -16.628 0.023 0.273 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -18.951 0.952 1.580 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -17.127 1.289 0.041 1.00 0.00 C ATOM 231 CH2 TRP A 15 -18.279 1.741 0.691 1.00 0.00 C ATOM 0 H TRP A 15 -14.127 -4.488 0.610 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.318 -1.687 1.281 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -16.018 -3.198 0.146 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -16.187 -4.069 1.658 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -18.179 -3.330 3.093 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -19.731 -1.264 3.241 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.739 -0.318 -0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -19.841 1.304 2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -16.619 1.941 -0.654 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -18.646 2.736 0.486 1.00 0.00 H new ATOM 242 N ALA A 16 -13.481 -3.641 3.600 1.00 0.00 N ATOM 243 CA ALA A 16 -13.162 -3.785 5.000 1.00 0.00 C ATOM 244 C ALA A 16 -11.660 -3.609 5.242 1.00 0.00 C ATOM 245 O ALA A 16 -11.206 -3.704 6.373 1.00 0.00 O ATOM 246 CB ALA A 16 -13.627 -5.143 5.508 1.00 0.00 C ATOM 0 H ALA A 16 -13.010 -4.315 2.997 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.686 -3.004 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.381 -5.240 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.706 -5.231 5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.128 -5.932 4.946 1.00 0.00 H new ATOM 252 N THR A 17 -10.902 -3.327 4.178 1.00 0.00 N ATOM 253 CA THR A 17 -9.468 -3.165 4.304 1.00 0.00 C ATOM 254 C THR A 17 -9.146 -1.892 5.072 1.00 0.00 C ATOM 255 O THR A 17 -9.496 -0.782 4.647 1.00 0.00 O ATOM 256 CB THR A 17 -8.766 -3.150 2.923 1.00 0.00 C ATOM 257 OG1 THR A 17 -9.010 -4.396 2.259 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.258 -2.966 3.079 1.00 0.00 C ATOM 0 H THR A 17 -11.263 -3.209 3.231 1.00 0.00 H new ATOM 0 HA THR A 17 -9.088 -4.024 4.857 1.00 0.00 H new ATOM 0 HB THR A 17 -9.165 -2.318 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.434 -5.090 2.643 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.789 -2.959 2.095 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.057 -2.021 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.850 -3.787 3.670 1.00 0.00 H new ATOM 266 N THR A 18 -8.496 -2.060 6.178 1.00 0.00 N ATOM 267 CA THR A 18 -8.156 -0.976 7.039 1.00 0.00 C ATOM 268 C THR A 18 -6.749 -0.608 6.851 1.00 0.00 C ATOM 269 O THR A 18 -5.949 -1.364 6.287 1.00 0.00 O ATOM 270 CB THR A 18 -8.407 -1.333 8.521 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.634 -2.496 8.889 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.885 -1.595 8.781 1.00 0.00 C ATOM 0 H THR A 18 -8.181 -2.970 6.513 1.00 0.00 H new ATOM 0 HA THR A 18 -8.793 -0.131 6.780 1.00 0.00 H new ATOM 0 HB THR A 18 -8.097 -0.483 9.129 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.434 -3.023 8.087 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.031 -1.844 9.832 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.461 -0.703 8.536 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.222 -2.426 8.161 1.00 0.00 H new ATOM 280 N ASP A 19 -6.451 0.555 7.315 1.00 0.00 N ATOM 281 CA ASP A 19 -5.138 1.089 7.272 1.00 0.00 C ATOM 282 C ASP A 19 -4.221 0.210 8.109 1.00 0.00 C ATOM 283 O ASP A 19 -3.045 0.043 7.808 1.00 0.00 O ATOM 284 CB ASP A 19 -5.152 2.489 7.833 1.00 0.00 C ATOM 285 CG ASP A 19 -6.183 3.403 7.209 1.00 0.00 C ATOM 286 OD1 ASP A 19 -6.007 3.841 6.068 1.00 0.00 O1- ATOM 287 OD2 ASP A 19 -7.184 3.713 7.855 1.00 0.00 O ATOM 0 H ASP A 19 -7.134 1.177 7.747 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.779 1.117 6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.334 2.435 8.906 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.165 2.931 7.699 1.00 0.00 H new ATOM 292 N GLN A 20 -4.814 -0.389 9.138 1.00 0.00 N ATOM 293 CA GLN A 20 -4.132 -1.293 10.032 1.00 0.00 C ATOM 294 C GLN A 20 -3.758 -2.566 9.235 1.00 0.00 C ATOM 295 O GLN A 20 -2.584 -2.883 9.101 1.00 0.00 O ATOM 296 CB GLN A 20 -5.076 -1.636 11.216 1.00 0.00 C ATOM 297 CG GLN A 20 -4.419 -2.209 12.494 1.00 0.00 C ATOM 298 CD GLN A 20 -3.534 -3.407 12.246 1.00 0.00 C ATOM 299 OE1 GLN A 20 -2.338 -3.264 12.057 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.123 -4.564 12.204 1.00 0.00 N ATOM 0 H GLN A 20 -5.798 -0.251 9.370 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.225 -0.842 10.434 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.618 -0.731 11.490 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.815 -2.356 10.863 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.828 -1.426 12.969 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.202 -2.489 13.199 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.127 -4.631 12.369 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.581 -5.405 12.006 1.00 0.00 H new ATOM 309 N THR A 21 -4.766 -3.238 8.648 1.00 0.00 N ATOM 310 CA THR A 21 -4.532 -4.486 7.913 1.00 0.00 C ATOM 311 C THR A 21 -3.612 -4.282 6.689 1.00 0.00 C ATOM 312 O THR A 21 -2.892 -5.191 6.267 1.00 0.00 O ATOM 313 CB THR A 21 -5.860 -5.227 7.537 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.805 -4.343 6.870 1.00 0.00 O ATOM 315 CG2 THR A 21 -6.513 -5.818 8.778 1.00 0.00 C ATOM 0 H THR A 21 -5.741 -2.938 8.670 1.00 0.00 H new ATOM 0 HA THR A 21 -4.000 -5.145 8.600 1.00 0.00 H new ATOM 0 HB THR A 21 -5.593 -6.027 6.846 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.120 -4.765 6.043 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.434 -6.329 8.496 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.831 -6.530 9.244 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.742 -5.020 9.484 1.00 0.00 H new ATOM 323 N LEU A 22 -3.633 -3.079 6.137 1.00 0.00 N ATOM 324 CA LEU A 22 -2.733 -2.717 5.059 1.00 0.00 C ATOM 325 C LEU A 22 -1.306 -2.617 5.614 1.00 0.00 C ATOM 326 O LEU A 22 -0.356 -3.180 5.051 1.00 0.00 O ATOM 327 CB LEU A 22 -3.141 -1.363 4.470 1.00 0.00 C ATOM 328 CG LEU A 22 -2.348 -0.886 3.250 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.666 -1.735 2.028 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.607 0.588 2.975 1.00 0.00 C ATOM 0 H LEU A 22 -4.269 -2.334 6.422 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.780 -3.475 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.194 -1.413 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.052 -0.609 5.252 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.287 -1.003 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.090 -1.376 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.406 -2.774 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.730 -1.664 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.032 0.902 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.669 0.741 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.306 1.178 3.840 1.00 0.00 H new ATOM 342 N GLY A 23 -1.185 -1.917 6.731 1.00 0.00 N ATOM 343 CA GLY A 23 0.088 -1.686 7.368 1.00 0.00 C ATOM 344 C GLY A 23 0.788 -2.959 7.784 1.00 0.00 C ATOM 345 O GLY A 23 1.944 -3.171 7.401 1.00 0.00 O ATOM 0 H GLY A 23 -1.975 -1.494 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.732 -1.131 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.062 -1.058 8.246 1.00 0.00 H new ATOM 349 N GLU A 24 0.083 -3.826 8.517 1.00 0.00 N ATOM 350 CA GLU A 24 0.661 -5.074 9.031 1.00 0.00 C ATOM 351 C GLU A 24 1.241 -5.937 7.899 1.00 0.00 C ATOM 352 O GLU A 24 2.379 -6.431 7.992 1.00 0.00 O ATOM 353 CB GLU A 24 -0.363 -5.873 9.870 1.00 0.00 C ATOM 354 CG GLU A 24 -1.605 -6.303 9.118 1.00 0.00 C ATOM 355 CD GLU A 24 -2.532 -7.160 9.951 1.00 0.00 C ATOM 356 OE1 GLU A 24 -3.249 -6.611 10.810 1.00 0.00 O ATOM 357 OE2 GLU A 24 -2.559 -8.379 9.738 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.895 -3.686 8.770 1.00 0.00 H new ATOM 0 HA GLU A 24 1.484 -4.797 9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.129 -6.761 10.268 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.664 -5.266 10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.143 -5.418 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.310 -6.857 8.227 1.00 0.00 H new ATOM 364 N ALA A 25 0.497 -6.030 6.808 1.00 0.00 N ATOM 365 CA ALA A 25 0.878 -6.821 5.657 1.00 0.00 C ATOM 366 C ALA A 25 2.197 -6.345 5.055 1.00 0.00 C ATOM 367 O ALA A 25 3.054 -7.151 4.680 1.00 0.00 O ATOM 368 CB ALA A 25 -0.222 -6.761 4.616 1.00 0.00 C ATOM 0 H ALA A 25 -0.397 -5.552 6.699 1.00 0.00 H new ATOM 0 HA ALA A 25 1.021 -7.851 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.065 -7.356 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.145 -7.157 5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.377 -5.726 4.310 1.00 0.00 H new ATOM 374 N PHE A 26 2.377 -5.045 4.994 1.00 0.00 N ATOM 375 CA PHE A 26 3.569 -4.483 4.395 1.00 0.00 C ATOM 376 C PHE A 26 4.711 -4.326 5.385 1.00 0.00 C ATOM 377 O PHE A 26 5.879 -4.295 4.987 1.00 0.00 O ATOM 378 CB PHE A 26 3.278 -3.176 3.664 1.00 0.00 C ATOM 379 CG PHE A 26 2.464 -3.356 2.403 1.00 0.00 C ATOM 380 CD1 PHE A 26 1.087 -3.475 2.443 1.00 0.00 C ATOM 381 CD2 PHE A 26 3.093 -3.429 1.181 1.00 0.00 C ATOM 382 CE1 PHE A 26 0.358 -3.657 1.286 1.00 0.00 C ATOM 383 CE2 PHE A 26 2.375 -3.616 0.018 1.00 0.00 C ATOM 384 CZ PHE A 26 1.003 -3.728 0.073 1.00 0.00 C ATOM 0 H PHE A 26 1.715 -4.356 5.351 1.00 0.00 H new ATOM 0 HA PHE A 26 3.902 -5.208 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.746 -2.504 4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.222 -2.693 3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.575 -3.425 3.393 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.168 -3.338 1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.718 -3.744 1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.886 -3.674 -0.932 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.435 -3.871 -0.834 1.00 0.00 H new ATOM 394 N SER A 27 4.392 -4.269 6.676 1.00 0.00 N ATOM 395 CA SER A 27 5.428 -4.145 7.711 1.00 0.00 C ATOM 396 C SER A 27 6.278 -5.414 7.803 1.00 0.00 C ATOM 397 O SER A 27 7.339 -5.430 8.409 1.00 0.00 O ATOM 398 CB SER A 27 4.830 -3.749 9.073 1.00 0.00 C ATOM 399 OG SER A 27 3.816 -4.646 9.506 1.00 0.00 O ATOM 0 H SER A 27 3.437 -4.306 7.033 1.00 0.00 H new ATOM 0 HA SER A 27 6.093 -3.334 7.414 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.624 -3.717 9.819 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.415 -2.743 9.005 1.00 0.00 H new ATOM 0 HG SER A 27 3.551 -5.224 8.761 1.00 0.00 H new ATOM 405 N GLN A 28 5.784 -6.470 7.173 1.00 0.00 N ATOM 406 CA GLN A 28 6.486 -7.733 7.075 1.00 0.00 C ATOM 407 C GLN A 28 7.659 -7.617 6.099 1.00 0.00 C ATOM 408 O GLN A 28 8.533 -8.474 6.068 1.00 0.00 O ATOM 409 CB GLN A 28 5.532 -8.810 6.570 1.00 0.00 C ATOM 410 CG GLN A 28 4.372 -9.124 7.501 1.00 0.00 C ATOM 411 CD GLN A 28 3.381 -10.110 6.895 1.00 0.00 C ATOM 412 OE1 GLN A 28 3.173 -10.035 5.598 1.00 0.00 O flip ATOM 413 NE2 GLN A 28 2.774 -10.898 7.594 1.00 0.00 N flip ATOM 0 H GLN A 28 4.874 -6.470 6.712 1.00 0.00 H new ATOM 0 HA GLN A 28 6.863 -7.998 8.063 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.131 -8.497 5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.099 -9.725 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.761 -9.533 8.434 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.852 -8.199 7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.955 -10.935 8.597 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.083 -11.522 7.177 1.00 0.00 H new ATOM 422 N PHE A 29 7.656 -6.563 5.296 1.00 0.00 N ATOM 423 CA PHE A 29 8.685 -6.379 4.296 1.00 0.00 C ATOM 424 C PHE A 29 9.593 -5.218 4.646 1.00 0.00 C ATOM 425 O PHE A 29 10.811 -5.335 4.542 1.00 0.00 O ATOM 426 CB PHE A 29 8.071 -6.156 2.912 1.00 0.00 C ATOM 427 CG PHE A 29 7.192 -7.280 2.438 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.739 -8.422 1.882 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.820 -7.189 2.545 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.930 -9.452 1.442 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.005 -8.207 2.109 1.00 0.00 C ATOM 432 CZ PHE A 29 5.558 -9.344 1.556 1.00 0.00 C ATOM 0 H PHE A 29 6.951 -5.826 5.321 1.00 0.00 H new ATOM 0 HA PHE A 29 9.281 -7.291 4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.487 -5.236 2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.874 -6.009 2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.812 -8.510 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.379 -6.304 2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.369 -10.339 1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.933 -8.117 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.921 -10.146 1.214 1.00 0.00 H new ATOM 442 N GLY A 30 9.017 -4.100 5.071 1.00 0.00 N ATOM 443 CA GLY A 30 9.854 -2.969 5.384 1.00 0.00 C ATOM 444 C GLY A 30 9.194 -1.972 6.283 1.00 0.00 C ATOM 445 O GLY A 30 8.099 -2.224 6.817 1.00 0.00 O ATOM 0 H GLY A 30 8.015 -3.961 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.769 -3.324 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.145 -2.475 4.457 1.00 0.00 H new ATOM 449 N GLU A 31 9.847 -0.849 6.439 1.00 0.00 N ATOM 450 CA GLU A 31 9.405 0.220 7.277 1.00 0.00 C ATOM 451 C GLU A 31 8.228 0.957 6.654 1.00 0.00 C ATOM 452 O GLU A 31 8.270 1.387 5.505 1.00 0.00 O ATOM 453 CB GLU A 31 10.579 1.190 7.597 1.00 0.00 C ATOM 454 CG GLU A 31 11.152 2.022 6.417 1.00 0.00 C ATOM 455 CD GLU A 31 11.609 1.189 5.230 1.00 0.00 C ATOM 456 OE1 GLU A 31 12.210 0.130 5.451 1.00 0.00 O ATOM 457 OE2 GLU A 31 11.354 1.602 4.075 1.00 0.00 O1- ATOM 0 H GLU A 31 10.730 -0.654 5.967 1.00 0.00 H new ATOM 0 HA GLU A 31 9.059 -0.208 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.244 1.883 8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.393 0.606 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.391 2.726 6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.994 2.612 6.778 1.00 0.00 H new ATOM 464 N ILE A 32 7.182 1.083 7.402 1.00 0.00 N ATOM 465 CA ILE A 32 6.021 1.766 6.931 1.00 0.00 C ATOM 466 C ILE A 32 6.034 3.161 7.491 1.00 0.00 C ATOM 467 O ILE A 32 5.982 3.345 8.706 1.00 0.00 O ATOM 468 CB ILE A 32 4.715 1.050 7.361 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.745 -0.433 6.957 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.501 1.741 6.757 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.942 -0.669 5.474 1.00 0.00 C ATOM 0 H ILE A 32 7.107 0.718 8.352 1.00 0.00 H new ATOM 0 HA ILE A 32 6.043 1.780 5.841 1.00 0.00 H new ATOM 0 HB ILE A 32 4.641 1.106 8.447 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.547 -0.930 7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.811 -0.901 7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.594 1.224 7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.464 2.776 7.098 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.574 1.719 5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.951 -1.740 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.127 -0.204 4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.890 -0.233 5.159 1.00 0.00 H new ATOM 483 N LEU A 33 6.160 4.127 6.627 1.00 0.00 N ATOM 484 CA LEU A 33 6.150 5.509 7.045 1.00 0.00 C ATOM 485 C LEU A 33 4.716 5.961 7.217 1.00 0.00 C ATOM 486 O LEU A 33 4.390 6.706 8.136 1.00 0.00 O ATOM 487 CB LEU A 33 6.875 6.382 6.031 1.00 0.00 C ATOM 488 CG LEU A 33 8.308 5.964 5.679 1.00 0.00 C ATOM 489 CD1 LEU A 33 8.902 6.945 4.714 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.183 5.854 6.923 1.00 0.00 C ATOM 0 H LEU A 33 6.272 3.987 5.623 1.00 0.00 H new ATOM 0 HA LEU A 33 6.674 5.605 7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.288 6.400 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.900 7.402 6.413 1.00 0.00 H new ATOM 0 HG LEU A 33 8.267 4.978 5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.920 6.643 4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.301 6.970 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.918 7.937 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.191 5.556 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.221 6.819 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.764 5.108 7.598 1.00 0.00 H new ATOM 502 N ASP A 34 3.864 5.471 6.336 1.00 0.00 N ATOM 503 CA ASP A 34 2.441 5.725 6.399 1.00 0.00 C ATOM 504 C ASP A 34 1.741 4.699 5.559 1.00 0.00 C ATOM 505 O ASP A 34 2.341 4.130 4.639 1.00 0.00 O ATOM 506 CB ASP A 34 2.018 7.174 5.971 1.00 0.00 C ATOM 507 CG ASP A 34 1.906 7.460 4.472 1.00 0.00 C ATOM 508 OD1 ASP A 34 0.877 7.110 3.853 1.00 0.00 O ATOM 509 OD2 ASP A 34 2.800 8.105 3.902 1.00 0.00 O1- ATOM 0 H ASP A 34 4.144 4.882 5.552 1.00 0.00 H new ATOM 0 HA ASP A 34 2.146 5.649 7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.053 7.392 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.738 7.874 6.395 1.00 0.00 H new ATOM 514 N SER A 35 0.537 4.402 5.911 1.00 0.00 N ATOM 515 CA SER A 35 -0.267 3.471 5.192 1.00 0.00 C ATOM 516 C SER A 35 -1.705 3.907 5.293 1.00 0.00 C ATOM 517 O SER A 35 -2.342 3.751 6.339 1.00 0.00 O ATOM 518 CB SER A 35 -0.054 2.048 5.738 1.00 0.00 C ATOM 519 OG SER A 35 -0.203 2.013 7.151 1.00 0.00 O ATOM 0 H SER A 35 0.073 4.808 6.724 1.00 0.00 H new ATOM 0 HA SER A 35 0.019 3.450 4.140 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.770 1.368 5.277 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.941 1.696 5.466 1.00 0.00 H new ATOM 0 HG SER A 35 -0.921 2.623 7.419 1.00 0.00 H new ATOM 525 N LYS A 36 -2.190 4.507 4.249 1.00 0.00 N ATOM 526 CA LYS A 36 -3.520 5.020 4.240 1.00 0.00 C ATOM 527 C LYS A 36 -4.346 4.491 3.115 1.00 0.00 C ATOM 528 O LYS A 36 -3.963 4.555 1.939 1.00 0.00 O ATOM 529 CB LYS A 36 -3.563 6.560 4.254 1.00 0.00 C ATOM 530 CG LYS A 36 -3.612 7.196 5.652 1.00 0.00 C ATOM 531 CD LYS A 36 -4.833 6.705 6.459 1.00 0.00 C ATOM 532 CE LYS A 36 -6.166 6.959 5.731 1.00 0.00 C ATOM 533 NZ LYS A 36 -7.291 6.205 6.345 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.673 4.653 3.382 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.963 4.661 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.685 6.938 3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.436 6.889 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.697 6.956 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.651 8.281 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.728 5.638 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.850 7.207 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.392 8.025 5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.067 6.673 4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.194 6.577 5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.210 5.198 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.257 6.312 7.379 1.00 0.00 H new ATOM 547 N ILE A 37 -5.466 3.965 3.483 1.00 0.00 N ATOM 548 CA ILE A 37 -6.466 3.540 2.565 1.00 0.00 C ATOM 549 C ILE A 37 -7.151 4.789 2.079 1.00 0.00 C ATOM 550 O ILE A 37 -7.348 5.737 2.864 1.00 0.00 O ATOM 551 CB ILE A 37 -7.534 2.658 3.278 1.00 0.00 C ATOM 552 CG1 ILE A 37 -6.893 1.453 3.959 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.618 2.206 2.308 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.236 0.490 3.015 1.00 0.00 C ATOM 0 H ILE A 37 -5.717 3.815 4.460 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.015 2.960 1.760 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.001 3.275 4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.151 1.807 4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.657 0.923 4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.347 1.593 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.116 3.079 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.168 1.622 1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.806 -0.337 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.977 0.104 2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.447 1.002 2.463 1.00 0.00 H new ATOM 566 N ILE A 38 -7.491 4.834 0.828 1.00 0.00 N ATOM 567 CA ILE A 38 -8.231 5.941 0.336 1.00 0.00 C ATOM 568 C ILE A 38 -9.675 5.694 0.680 1.00 0.00 C ATOM 569 O ILE A 38 -10.410 4.981 -0.025 1.00 0.00 O ATOM 570 CB ILE A 38 -8.019 6.181 -1.180 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.527 6.469 -1.456 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.898 7.334 -1.681 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.991 7.729 -0.787 1.00 0.00 C ATOM 0 H ILE A 38 -7.267 4.118 0.137 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.880 6.860 0.806 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.313 5.283 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.937 5.616 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.380 6.554 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.731 7.482 -2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.947 7.093 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.642 8.247 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.937 7.852 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.551 8.595 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.101 7.642 0.294 1.00 0.00 H new ATOM 585 N ASN A 39 -10.023 6.162 1.837 1.00 0.00 N ATOM 586 CA ASN A 39 -11.332 5.996 2.356 1.00 0.00 C ATOM 587 C ASN A 39 -12.225 7.103 1.899 1.00 0.00 C ATOM 588 O ASN A 39 -11.784 8.221 1.636 1.00 0.00 O ATOM 589 CB ASN A 39 -11.350 5.878 3.902 1.00 0.00 C ATOM 590 CG ASN A 39 -10.799 7.098 4.637 1.00 0.00 C ATOM 591 OD1 ASN A 39 -9.600 7.165 4.955 1.00 0.00 O ATOM 592 ND2 ASN A 39 -11.647 8.062 4.917 1.00 0.00 N ATOM 0 H ASN A 39 -9.392 6.677 2.452 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.711 5.052 1.964 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.376 5.705 4.229 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.771 5.002 4.194 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.327 8.896 5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.625 7.976 4.642 1.00 0.00 H new ATOM 706 N ARG A 47 -12.291 2.878 -0.581 1.00 0.00 N ATOM 707 CA ARG A 47 -12.807 3.036 -1.944 1.00 0.00 C ATOM 708 C ARG A 47 -12.117 2.102 -2.940 1.00 0.00 C ATOM 709 O ARG A 47 -12.020 2.405 -4.126 1.00 0.00 O ATOM 710 CB ARG A 47 -12.721 4.498 -2.408 1.00 0.00 C ATOM 711 CG ARG A 47 -13.587 5.429 -1.580 1.00 0.00 C ATOM 712 CD ARG A 47 -13.646 6.844 -2.146 1.00 0.00 C ATOM 713 NE ARG A 47 -14.196 6.873 -3.516 1.00 0.00 N ATOM 714 CZ ARG A 47 -15.315 7.537 -3.904 1.00 0.00 C ATOM 715 NH1 ARG A 47 -16.129 8.114 -3.008 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -15.640 7.574 -5.204 1.00 0.00 N ATOM 0 HA ARG A 47 -13.859 2.750 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.684 4.831 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.024 4.561 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.597 5.023 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.201 5.466 -0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.260 7.468 -1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.645 7.275 -2.149 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.692 6.350 -4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.913 8.059 -2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.964 8.608 -3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.049 7.106 -5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.478 8.070 -5.506 1.00 0.00 H new ATOM 730 N GLY A 48 -11.669 0.964 -2.448 1.00 0.00 N ATOM 731 CA GLY A 48 -11.101 -0.052 -3.304 1.00 0.00 C ATOM 732 C GLY A 48 -9.601 0.022 -3.457 1.00 0.00 C ATOM 733 O GLY A 48 -9.004 -0.840 -4.110 1.00 0.00 O ATOM 0 H GLY A 48 -11.689 0.722 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.365 -1.032 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.558 0.026 -4.291 1.00 0.00 H new ATOM 737 N PHE A 49 -8.966 1.017 -2.869 1.00 0.00 N ATOM 738 CA PHE A 49 -7.527 1.143 -3.009 1.00 0.00 C ATOM 739 C PHE A 49 -6.932 1.988 -1.887 1.00 0.00 C ATOM 740 O PHE A 49 -7.670 2.603 -1.097 1.00 0.00 O ATOM 741 CB PHE A 49 -7.155 1.713 -4.399 1.00 0.00 C ATOM 742 CG PHE A 49 -7.463 3.162 -4.609 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.769 3.626 -4.661 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.429 4.055 -4.753 1.00 0.00 C ATOM 745 CE1 PHE A 49 -9.034 4.964 -4.852 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.678 5.398 -4.948 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.985 5.856 -4.997 1.00 0.00 C ATOM 0 H PHE A 49 -9.412 1.737 -2.301 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.096 0.145 -2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.088 1.560 -4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.679 1.135 -5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.588 2.930 -4.550 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.409 3.702 -4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.055 5.316 -4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.857 6.090 -5.062 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.185 6.907 -5.148 1.00 0.00 H new ATOM 757 N GLY A 50 -5.620 2.002 -1.814 1.00 0.00 N ATOM 758 CA GLY A 50 -4.916 2.734 -0.804 1.00 0.00 C ATOM 759 C GLY A 50 -3.457 2.883 -1.160 1.00 0.00 C ATOM 760 O GLY A 50 -3.006 2.363 -2.191 1.00 0.00 O ATOM 0 H GLY A 50 -5.014 1.500 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.367 3.719 -0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.010 2.221 0.153 1.00 0.00 H new ATOM 764 N PHE A 51 -2.725 3.578 -0.335 1.00 0.00 N ATOM 765 CA PHE A 51 -1.314 3.799 -0.561 1.00 0.00 C ATOM 766 C PHE A 51 -0.494 3.423 0.664 1.00 0.00 C ATOM 767 O PHE A 51 -0.949 3.563 1.798 1.00 0.00 O ATOM 768 CB PHE A 51 -1.034 5.260 -0.916 1.00 0.00 C ATOM 769 CG PHE A 51 -1.600 5.727 -2.231 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.920 5.496 -3.413 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.796 6.416 -2.281 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.421 5.939 -4.618 1.00 0.00 C ATOM 773 CE2 PHE A 51 -3.307 6.860 -3.485 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.619 6.622 -4.655 1.00 0.00 C ATOM 0 H PHE A 51 -3.085 4.010 0.516 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.023 3.163 -1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.434 5.892 -0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.045 5.412 -0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.018 4.960 -3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.338 6.610 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.877 5.752 -5.532 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.246 7.394 -3.509 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.016 6.969 -5.597 1.00 0.00 H new ATOM 784 N VAL A 52 0.710 2.957 0.421 1.00 0.00 N ATOM 785 CA VAL A 52 1.651 2.587 1.478 1.00 0.00 C ATOM 786 C VAL A 52 2.936 3.367 1.230 1.00 0.00 C ATOM 787 O VAL A 52 3.278 3.605 0.079 1.00 0.00 O ATOM 788 CB VAL A 52 1.983 1.060 1.446 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.853 0.655 2.630 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.723 0.216 1.405 1.00 0.00 C ATOM 0 H VAL A 52 1.076 2.819 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 52 1.209 2.814 2.448 1.00 0.00 H new ATOM 0 HB VAL A 52 2.544 0.876 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.065 -0.413 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.789 1.213 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.328 0.875 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.993 -0.840 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.120 0.419 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.149 0.462 0.512 1.00 0.00 H new ATOM 800 N THR A 53 3.593 3.806 2.261 1.00 0.00 N ATOM 801 CA THR A 53 4.828 4.524 2.112 1.00 0.00 C ATOM 802 C THR A 53 6.000 3.805 2.778 1.00 0.00 C ATOM 803 O THR A 53 5.929 3.434 3.956 1.00 0.00 O ATOM 804 CB THR A 53 4.689 5.935 2.685 1.00 0.00 C ATOM 805 OG1 THR A 53 3.647 6.549 2.004 1.00 0.00 O ATOM 806 CG2 THR A 53 5.951 6.751 2.482 1.00 0.00 C ATOM 0 H THR A 53 3.292 3.679 3.227 1.00 0.00 H new ATOM 0 HA THR A 53 5.042 4.580 1.045 1.00 0.00 H new ATOM 0 HB THR A 53 4.504 5.873 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.390 7.371 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.812 7.747 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.786 6.260 2.981 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.163 6.834 1.416 1.00 0.00 H new ATOM 814 N PHE A 54 7.049 3.629 2.019 1.00 0.00 N ATOM 815 CA PHE A 54 8.293 3.051 2.473 1.00 0.00 C ATOM 816 C PHE A 54 9.372 4.110 2.415 1.00 0.00 C ATOM 817 O PHE A 54 9.163 5.185 1.844 1.00 0.00 O ATOM 818 CB PHE A 54 8.708 1.886 1.576 1.00 0.00 C ATOM 819 CG PHE A 54 7.954 0.609 1.802 1.00 0.00 C ATOM 820 CD1 PHE A 54 6.780 0.341 1.122 1.00 0.00 C ATOM 821 CD2 PHE A 54 8.432 -0.329 2.695 1.00 0.00 C ATOM 822 CE1 PHE A 54 6.100 -0.839 1.331 1.00 0.00 C ATOM 823 CE2 PHE A 54 7.755 -1.509 2.908 1.00 0.00 C ATOM 824 CZ PHE A 54 6.590 -1.765 2.228 1.00 0.00 C ATOM 0 H PHE A 54 7.065 3.892 1.034 1.00 0.00 H new ATOM 0 HA PHE A 54 8.159 2.685 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.581 2.186 0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.771 1.694 1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.392 1.064 0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.348 -0.135 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.185 -1.038 0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.141 -2.233 3.610 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.058 -2.690 2.395 1.00 0.00 H new ATOM 834 N LYS A 55 10.500 3.832 2.986 1.00 0.00 N ATOM 835 CA LYS A 55 11.615 4.740 2.928 1.00 0.00 C ATOM 836 C LYS A 55 12.707 4.156 2.039 1.00 0.00 C ATOM 837 O LYS A 55 13.463 4.891 1.401 1.00 0.00 O ATOM 838 CB LYS A 55 12.147 5.066 4.334 1.00 0.00 C ATOM 839 CG LYS A 55 13.276 6.094 4.345 1.00 0.00 C ATOM 840 CD LYS A 55 13.628 6.562 5.751 1.00 0.00 C ATOM 841 CE LYS A 55 12.545 7.474 6.319 1.00 0.00 C ATOM 842 NZ LYS A 55 12.406 8.725 5.537 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.680 2.973 3.506 1.00 0.00 H new ATOM 0 HA LYS A 55 11.278 5.681 2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.325 5.437 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.501 4.147 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.161 5.662 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.985 6.954 3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.757 5.698 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.580 7.092 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.593 6.944 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.783 7.718 7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.520 9.202 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.210 9.352 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.390 8.500 4.522 1.00 0.00 H new ATOM 856 N ASP A 56 12.770 2.843 1.978 1.00 0.00 N ATOM 857 CA ASP A 56 13.742 2.171 1.130 1.00 0.00 C ATOM 858 C ASP A 56 13.086 1.625 -0.126 1.00 0.00 C ATOM 859 O ASP A 56 11.933 1.169 -0.108 1.00 0.00 O ATOM 860 CB ASP A 56 14.485 1.054 1.883 1.00 0.00 C ATOM 861 CG ASP A 56 15.305 0.182 0.946 1.00 0.00 C ATOM 862 OD1 ASP A 56 16.156 0.713 0.209 1.00 0.00 O ATOM 863 OD2 ASP A 56 15.056 -1.030 0.894 1.00 0.00 O1- ATOM 0 H ASP A 56 12.161 2.216 2.504 1.00 0.00 H new ATOM 0 HA ASP A 56 14.481 2.917 0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.141 1.497 2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.764 0.435 2.416 1.00 0.00 H new ATOM 868 N GLU A 57 13.821 1.676 -1.222 1.00 0.00 N ATOM 869 CA GLU A 57 13.322 1.251 -2.504 1.00 0.00 C ATOM 870 C GLU A 57 13.325 -0.256 -2.629 1.00 0.00 C ATOM 871 O GLU A 57 12.459 -0.827 -3.303 1.00 0.00 O ATOM 872 CB GLU A 57 14.107 1.868 -3.651 1.00 0.00 C ATOM 873 CG GLU A 57 15.595 1.611 -3.604 1.00 0.00 C ATOM 874 CD GLU A 57 16.298 2.049 -4.866 1.00 0.00 C ATOM 875 OE1 GLU A 57 15.969 1.510 -5.952 1.00 0.00 O ATOM 876 OE2 GLU A 57 17.198 2.899 -4.794 1.00 0.00 O1- ATOM 0 H GLU A 57 14.783 2.015 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 57 12.292 1.603 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.714 1.482 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.937 2.945 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.024 2.137 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.772 0.547 -3.444 1.00 0.00 H new ATOM 883 N LYS A 58 14.279 -0.909 -1.988 1.00 0.00 N ATOM 884 CA LYS A 58 14.341 -2.347 -2.046 1.00 0.00 C ATOM 885 C LYS A 58 13.171 -2.921 -1.284 1.00 0.00 C ATOM 886 O LYS A 58 12.391 -3.671 -1.844 1.00 0.00 O ATOM 887 CB LYS A 58 15.655 -2.919 -1.492 1.00 0.00 C ATOM 888 CG LYS A 58 15.668 -4.440 -1.529 1.00 0.00 C ATOM 889 CD LYS A 58 16.831 -5.054 -0.780 1.00 0.00 C ATOM 890 CE LYS A 58 16.684 -6.575 -0.736 1.00 0.00 C ATOM 891 NZ LYS A 58 15.432 -6.991 -0.056 1.00 0.00 N1+ ATOM 0 H LYS A 58 15.010 -0.467 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 58 14.298 -2.632 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.493 -2.534 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.796 -2.579 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.736 -4.813 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.701 -4.770 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.769 -4.786 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.872 -4.655 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.694 -6.970 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.540 -7.008 -0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.130 -7.917 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.600 -7.060 0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.688 -6.288 -0.238 1.00 0.00 H new ATOM 905 N ALA A 59 13.031 -2.494 -0.032 1.00 0.00 N ATOM 906 CA ALA A 59 11.957 -2.943 0.866 1.00 0.00 C ATOM 907 C ALA A 59 10.595 -2.746 0.221 1.00 0.00 C ATOM 908 O ALA A 59 9.701 -3.592 0.342 1.00 0.00 O ATOM 909 CB ALA A 59 12.029 -2.197 2.186 1.00 0.00 C ATOM 0 H ALA A 59 13.664 -1.819 0.398 1.00 0.00 H new ATOM 0 HA ALA A 59 12.093 -4.008 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.228 -2.539 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.992 -2.388 2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.919 -1.128 2.006 1.00 0.00 H new ATOM 915 N MET A 60 10.459 -1.633 -0.485 1.00 0.00 N ATOM 916 CA MET A 60 9.263 -1.329 -1.246 1.00 0.00 C ATOM 917 C MET A 60 8.984 -2.427 -2.279 1.00 0.00 C ATOM 918 O MET A 60 7.872 -2.891 -2.407 1.00 0.00 O ATOM 919 CB MET A 60 9.431 0.004 -1.975 1.00 0.00 C ATOM 920 CG MET A 60 8.258 0.365 -2.870 1.00 0.00 C ATOM 921 SD MET A 60 8.533 1.854 -3.849 1.00 0.00 S ATOM 922 CE MET A 60 9.952 1.346 -4.816 1.00 0.00 C ATOM 0 H MET A 60 11.180 -0.914 -0.544 1.00 0.00 H new ATOM 0 HA MET A 60 8.426 -1.269 -0.550 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.571 0.795 -1.238 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.338 -0.034 -2.578 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.053 -0.469 -3.541 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.370 0.504 -2.254 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.078 2.023 -5.661 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.846 1.374 -4.193 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.797 0.332 -5.184 1.00 0.00 H new ATOM 932 N ARG A 61 10.016 -2.855 -2.967 1.00 0.00 N ATOM 933 CA ARG A 61 9.887 -3.832 -4.037 1.00 0.00 C ATOM 934 C ARG A 61 9.708 -5.239 -3.530 1.00 0.00 C ATOM 935 O ARG A 61 8.936 -5.995 -4.095 1.00 0.00 O ATOM 936 CB ARG A 61 11.011 -3.702 -5.012 1.00 0.00 C ATOM 937 CG ARG A 61 10.933 -2.379 -5.710 1.00 0.00 C ATOM 938 CD ARG A 61 12.027 -2.193 -6.685 1.00 0.00 C ATOM 939 NE ARG A 61 11.996 -0.835 -7.227 1.00 0.00 N ATOM 940 CZ ARG A 61 12.968 0.066 -7.134 1.00 0.00 C ATOM 941 NH1 ARG A 61 14.118 -0.231 -6.529 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 12.767 1.270 -7.632 1.00 0.00 N ATOM 0 H ARG A 61 10.972 -2.539 -2.805 1.00 0.00 H new ATOM 0 HA ARG A 61 8.964 -3.608 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.965 -3.793 -4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.966 -4.511 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.975 -2.298 -6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.968 -1.578 -4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.988 -2.379 -6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.930 -2.917 -7.494 1.00 0.00 H new ATOM 0 HE ARG A 61 11.150 -0.554 -7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.260 -1.159 -6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.856 0.470 -6.464 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.878 1.495 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.500 1.976 -7.571 1.00 0.00 H new ATOM 956 N ASP A 62 10.368 -5.581 -2.413 1.00 0.00 N ATOM 957 CA ASP A 62 10.134 -6.893 -1.755 1.00 0.00 C ATOM 958 C ASP A 62 8.659 -6.992 -1.403 1.00 0.00 C ATOM 959 O ASP A 62 8.052 -8.065 -1.436 1.00 0.00 O ATOM 960 CB ASP A 62 10.954 -7.066 -0.446 1.00 0.00 C ATOM 961 CG ASP A 62 12.458 -7.166 -0.630 1.00 0.00 C ATOM 962 OD1 ASP A 62 13.118 -6.133 -0.793 1.00 0.00 O ATOM 963 OD2 ASP A 62 13.037 -8.275 -0.538 1.00 0.00 O1- ATOM 0 H ASP A 62 11.055 -4.988 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 62 10.449 -7.671 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.740 -6.223 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.607 -7.964 0.065 1.00 0.00 H new ATOM 968 N ALA A 63 8.080 -5.837 -1.116 1.00 0.00 N ATOM 969 CA ALA A 63 6.699 -5.728 -0.772 1.00 0.00 C ATOM 970 C ALA A 63 5.826 -5.833 -2.005 1.00 0.00 C ATOM 971 O ALA A 63 4.785 -6.451 -1.969 1.00 0.00 O ATOM 972 CB ALA A 63 6.443 -4.419 -0.071 1.00 0.00 C ATOM 0 H ALA A 63 8.576 -4.945 -1.120 1.00 0.00 H new ATOM 0 HA ALA A 63 6.448 -6.550 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.387 -4.345 0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.043 -4.369 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.714 -3.594 -0.730 1.00 0.00 H new ATOM 978 N ILE A 64 6.257 -5.238 -3.093 1.00 0.00 N ATOM 979 CA ILE A 64 5.486 -5.262 -4.323 1.00 0.00 C ATOM 980 C ILE A 64 5.484 -6.664 -4.907 1.00 0.00 C ATOM 981 O ILE A 64 4.430 -7.277 -5.020 1.00 0.00 O ATOM 982 CB ILE A 64 6.031 -4.254 -5.367 1.00 0.00 C ATOM 983 CG1 ILE A 64 6.006 -2.840 -4.794 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.195 -4.312 -6.651 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.768 -1.839 -5.617 1.00 0.00 C ATOM 0 H ILE A 64 7.139 -4.729 -3.155 1.00 0.00 H new ATOM 0 HA ILE A 64 4.466 -4.965 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 64 7.060 -4.523 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.970 -2.512 -4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.421 -2.859 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.590 -3.599 -7.375 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.241 -5.317 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.159 -4.061 -6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.705 -0.858 -5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.813 -2.143 -5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.340 -1.790 -6.618 1.00 0.00 H new ATOM 997 N GLU A 65 6.661 -7.200 -5.157 1.00 0.00 N ATOM 998 CA GLU A 65 6.810 -8.507 -5.748 1.00 0.00 C ATOM 999 C GLU A 65 6.307 -9.634 -4.826 1.00 0.00 C ATOM 1000 O GLU A 65 6.054 -10.748 -5.279 1.00 0.00 O ATOM 1001 CB GLU A 65 8.273 -8.764 -6.171 1.00 0.00 C ATOM 1002 CG GLU A 65 8.763 -8.013 -7.433 1.00 0.00 C ATOM 1003 CD GLU A 65 8.908 -6.503 -7.277 1.00 0.00 C ATOM 1004 OE1 GLU A 65 7.911 -5.784 -7.452 1.00 0.00 O ATOM 1005 OE2 GLU A 65 10.029 -6.035 -7.005 1.00 0.00 O1- ATOM 0 H GLU A 65 7.545 -6.735 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 65 6.182 -8.517 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.923 -8.494 -5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.398 -9.834 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.727 -8.425 -7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.067 -8.212 -8.248 1.00 0.00 H new ATOM 1012 N GLY A 66 6.170 -9.341 -3.542 1.00 0.00 N ATOM 1013 CA GLY A 66 5.700 -10.343 -2.610 1.00 0.00 C ATOM 1014 C GLY A 66 4.217 -10.227 -2.265 1.00 0.00 C ATOM 1015 O GLY A 66 3.613 -11.193 -1.833 1.00 0.00 O ATOM 0 H GLY A 66 6.375 -8.431 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.888 -11.331 -3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.282 -10.271 -1.691 1.00 0.00 H new ATOM 1019 N MET A 67 3.633 -9.055 -2.450 1.00 0.00 N ATOM 1020 CA MET A 67 2.224 -8.836 -2.066 1.00 0.00 C ATOM 1021 C MET A 67 1.319 -8.701 -3.297 1.00 0.00 C ATOM 1022 O MET A 67 0.112 -8.950 -3.232 1.00 0.00 O ATOM 1023 CB MET A 67 2.125 -7.576 -1.183 1.00 0.00 C ATOM 1024 CG MET A 67 0.749 -7.254 -0.606 1.00 0.00 C ATOM 1025 SD MET A 67 0.099 -8.505 0.522 1.00 0.00 S ATOM 1026 CE MET A 67 1.409 -8.614 1.733 1.00 0.00 C ATOM 0 H MET A 67 4.095 -8.242 -2.857 1.00 0.00 H new ATOM 0 HA MET A 67 1.880 -9.704 -1.504 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.825 -7.684 -0.355 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.457 -6.720 -1.771 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.804 -6.301 -0.079 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.046 -7.124 -1.428 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.044 -9.135 2.618 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.251 -9.163 1.310 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.732 -7.611 2.010 1.00 0.00 H new ATOM 1036 N ASN A 68 1.891 -8.291 -4.411 1.00 0.00 N ATOM 1037 CA ASN A 68 1.122 -8.120 -5.646 1.00 0.00 C ATOM 1038 C ASN A 68 0.661 -9.466 -6.169 1.00 0.00 C ATOM 1039 O ASN A 68 1.480 -10.311 -6.520 1.00 0.00 O ATOM 1040 CB ASN A 68 1.975 -7.442 -6.728 1.00 0.00 C ATOM 1041 CG ASN A 68 1.211 -7.157 -8.005 1.00 0.00 C ATOM 1042 OD1 ASN A 68 0.016 -6.881 -7.981 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.896 -7.210 -9.123 1.00 0.00 N ATOM 0 H ASN A 68 2.883 -8.068 -4.496 1.00 0.00 H new ATOM 0 HA ASN A 68 0.259 -7.494 -5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.372 -6.506 -6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.829 -8.078 -6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.436 -7.018 -10.013 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.889 -7.443 -9.102 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.634 -9.664 -6.214 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.151 -10.891 -6.743 1.00 0.00 C ATOM 1052 C GLY A 69 -1.752 -11.784 -5.689 1.00 0.00 C ATOM 1053 O GLY A 69 -2.339 -12.817 -6.018 1.00 0.00 O ATOM 0 H GLY A 69 -1.337 -8.998 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.908 -10.665 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.349 -11.427 -7.250 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.606 -11.424 -4.427 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.217 -12.225 -3.389 1.00 0.00 C ATOM 1059 C GLN A 70 -3.469 -11.552 -2.872 1.00 0.00 C ATOM 1060 O GLN A 70 -3.815 -10.441 -3.291 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.275 -12.549 -2.216 1.00 0.00 C ATOM 1062 CG GLN A 70 -0.840 -11.364 -1.386 1.00 0.00 C ATOM 1063 CD GLN A 70 -0.293 -11.795 -0.041 1.00 0.00 C ATOM 1064 OE1 GLN A 70 0.887 -12.046 0.122 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -1.166 -11.891 0.940 1.00 0.00 N ATOM 0 H GLN A 70 -1.086 -10.608 -4.105 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.467 -13.178 -3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.771 -13.266 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.386 -13.040 -2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.078 -10.801 -1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.686 -10.693 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.148 -11.674 0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.860 -12.183 1.868 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.130 -12.212 -1.966 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.346 -11.712 -1.392 1.00 0.00 C ATOM 1076 C ASP A 71 -5.119 -11.095 -0.033 1.00 0.00 C ATOM 1077 O ASP A 71 -4.286 -11.568 0.762 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.423 -12.808 -1.316 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.034 -13.138 -2.669 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -6.308 -13.654 -3.556 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.240 -12.890 -2.843 1.00 0.00 O1- ATOM 0 H ASP A 71 -3.839 -13.119 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.705 -10.925 -2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.984 -13.711 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.212 -12.487 -0.636 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.829 -10.027 0.209 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.851 -9.321 1.466 1.00 0.00 C ATOM 1088 C LEU A 72 -7.295 -8.945 1.732 1.00 0.00 C ATOM 1089 O LEU A 72 -7.982 -8.470 0.825 1.00 0.00 O ATOM 1090 CB LEU A 72 -4.975 -8.059 1.407 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.900 -7.212 2.692 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -4.274 -7.998 3.835 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -4.128 -5.924 2.443 1.00 0.00 C ATOM 0 H LEU A 72 -6.435 -9.605 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.452 -9.949 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.963 -8.359 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.345 -7.425 0.602 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.919 -6.954 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.235 -7.374 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.874 -8.885 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.264 -8.299 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.087 -5.341 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.115 -6.164 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.629 -5.344 1.668 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.774 -9.234 2.945 1.00 0.00 N ATOM 1106 CA ASP A 73 -9.183 -8.982 3.364 1.00 0.00 C ATOM 1107 C ASP A 73 -10.175 -9.692 2.430 1.00 0.00 C ATOM 1108 O ASP A 73 -11.346 -9.272 2.263 1.00 0.00 O ATOM 1109 CB ASP A 73 -9.502 -7.476 3.447 1.00 0.00 C ATOM 1110 CG ASP A 73 -8.698 -6.740 4.502 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -8.954 -6.929 5.683 1.00 0.00 O ATOM 1112 OD2 ASP A 73 -7.821 -5.933 4.128 1.00 0.00 O1- ATOM 0 H ASP A 73 -7.203 -9.653 3.679 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.294 -9.397 4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.314 -7.020 2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.564 -7.350 3.658 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.707 -10.786 1.845 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.518 -11.604 0.972 1.00 0.00 C ATOM 1119 C GLY A 74 -10.656 -11.025 -0.417 1.00 0.00 C ATOM 1120 O GLY A 74 -11.642 -11.284 -1.098 1.00 0.00 O ATOM 0 H GLY A 74 -8.753 -11.126 1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.079 -12.599 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.509 -11.723 1.411 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.712 -10.195 -0.812 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.714 -9.603 -2.131 1.00 0.00 C ATOM 1126 C ARG A 75 -8.337 -9.675 -2.696 1.00 0.00 C ATOM 1127 O ARG A 75 -7.367 -9.535 -1.957 1.00 0.00 O ATOM 1128 CB ARG A 75 -10.131 -8.151 -2.062 1.00 0.00 C ATOM 1129 CG ARG A 75 -11.310 -7.791 -2.946 1.00 0.00 C ATOM 1130 CD ARG A 75 -12.582 -8.541 -2.529 1.00 0.00 C ATOM 1131 NE ARG A 75 -12.795 -8.529 -1.057 1.00 0.00 N ATOM 1132 CZ ARG A 75 -13.854 -9.055 -0.418 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -14.951 -9.405 -1.105 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -13.810 -9.227 0.913 1.00 0.00 N ATOM 0 H ARG A 75 -8.924 -9.913 -0.228 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.419 -10.148 -2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.380 -7.907 -1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.281 -7.529 -2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.488 -6.717 -2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.072 -8.026 -3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.444 -8.090 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.521 -9.573 -2.875 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.077 -8.084 -0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.984 -9.272 -2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.753 -9.804 -0.617 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.975 -8.959 1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.611 -9.626 1.402 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.245 -9.835 -3.974 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.954 -9.980 -4.620 1.00 0.00 C ATOM 1150 C ASN A 76 -6.465 -8.618 -4.984 1.00 0.00 C ATOM 1151 O ASN A 76 -7.129 -7.870 -5.714 1.00 0.00 O ATOM 1152 CB ASN A 76 -7.033 -10.906 -5.830 1.00 0.00 C ATOM 1153 CG ASN A 76 -5.663 -11.330 -6.318 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -5.061 -10.690 -7.183 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -5.156 -12.408 -5.760 1.00 0.00 N ATOM 0 H ASN A 76 -9.044 -9.871 -4.607 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.245 -10.448 -3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.614 -11.791 -5.571 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.564 -10.401 -6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.234 -12.741 -6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.685 -12.910 -5.047 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.335 -8.287 -4.457 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.836 -6.953 -4.513 1.00 0.00 C ATOM 1164 C ILE A 77 -3.669 -6.784 -5.486 1.00 0.00 C ATOM 1165 O ILE A 77 -2.798 -7.661 -5.628 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.431 -6.480 -3.100 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.413 -7.448 -2.499 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.674 -6.426 -2.206 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.735 -6.944 -1.258 1.00 0.00 C ATOM 0 H ILE A 77 -4.724 -8.942 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.646 -6.331 -4.894 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.984 -5.488 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.916 -8.387 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.654 -7.669 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.390 -6.092 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.397 -5.729 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.121 -7.418 -2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.030 -7.693 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.200 -6.021 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.482 -6.751 -0.488 1.00 0.00 H new ATOM 1181 N THR A 78 -3.658 -5.654 -6.138 1.00 0.00 N ATOM 1182 CA THR A 78 -2.636 -5.302 -7.073 1.00 0.00 C ATOM 1183 C THR A 78 -1.736 -4.228 -6.452 1.00 0.00 C ATOM 1184 O THR A 78 -2.187 -3.111 -6.156 1.00 0.00 O ATOM 1185 CB THR A 78 -3.270 -4.761 -8.368 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.240 -5.702 -8.843 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.212 -4.544 -9.447 1.00 0.00 C ATOM 0 H THR A 78 -4.377 -4.939 -6.028 1.00 0.00 H new ATOM 0 HA THR A 78 -2.044 -6.186 -7.313 1.00 0.00 H new ATOM 0 HB THR A 78 -3.743 -3.803 -8.150 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.649 -5.363 -9.667 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.687 -4.162 -10.351 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.474 -3.825 -9.093 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.719 -5.491 -9.669 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.492 -4.571 -6.249 1.00 0.00 N ATOM 1196 CA VAL A 79 0.481 -3.675 -5.654 1.00 0.00 C ATOM 1197 C VAL A 79 1.470 -3.270 -6.731 1.00 0.00 C ATOM 1198 O VAL A 79 1.943 -4.117 -7.473 1.00 0.00 O ATOM 1199 CB VAL A 79 1.255 -4.370 -4.488 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.251 -3.421 -3.836 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.299 -4.934 -3.448 1.00 0.00 C ATOM 0 H VAL A 79 -0.116 -5.487 -6.492 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.038 -2.808 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 79 1.813 -5.199 -4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.771 -3.938 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.975 -3.086 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.721 -2.559 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.869 -5.411 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.303 -4.126 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.355 -5.670 -3.916 1.00 0.00 H new ATOM 1211 N ASN A 80 1.743 -2.000 -6.851 1.00 0.00 N ATOM 1212 CA ASN A 80 2.692 -1.529 -7.842 1.00 0.00 C ATOM 1213 C ASN A 80 3.475 -0.338 -7.331 1.00 0.00 C ATOM 1214 O ASN A 80 3.073 0.320 -6.347 1.00 0.00 O ATOM 1215 CB ASN A 80 2.005 -1.215 -9.192 1.00 0.00 C ATOM 1216 CG ASN A 80 0.903 -0.178 -9.090 1.00 0.00 C ATOM 1217 OD1 ASN A 80 1.133 1.016 -9.242 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.306 -0.633 -8.841 1.00 0.00 N ATOM 0 H ASN A 80 1.326 -1.266 -6.278 1.00 0.00 H new ATOM 0 HA ASN A 80 3.399 -2.338 -8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.757 -0.865 -9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.588 -2.136 -9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.090 0.015 -8.769 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.459 -1.634 -8.720 1.00 0.00 H new ATOM 1225 N GLU A 81 4.593 -0.083 -7.976 1.00 0.00 N ATOM 1226 CA GLU A 81 5.489 0.974 -7.619 1.00 0.00 C ATOM 1227 C GLU A 81 4.917 2.302 -8.061 1.00 0.00 C ATOM 1228 O GLU A 81 4.628 2.515 -9.243 1.00 0.00 O ATOM 1229 CB GLU A 81 6.857 0.739 -8.276 1.00 0.00 C ATOM 1230 CG GLU A 81 7.912 1.757 -7.902 1.00 0.00 C ATOM 1231 CD GLU A 81 9.211 1.570 -8.662 1.00 0.00 C ATOM 1232 OE1 GLU A 81 9.364 2.170 -9.733 1.00 0.00 O ATOM 1233 OE2 GLU A 81 10.101 0.846 -8.171 1.00 0.00 O1- ATOM 0 H GLU A 81 4.904 -0.624 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 81 5.616 0.989 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.213 -0.254 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.732 0.744 -9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.527 2.759 -8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.110 1.690 -6.832 1.00 0.00 H new ATOM 1240 N ALA A 82 4.717 3.173 -7.122 1.00 0.00 N ATOM 1241 CA ALA A 82 4.224 4.470 -7.431 1.00 0.00 C ATOM 1242 C ALA A 82 5.358 5.476 -7.389 1.00 0.00 C ATOM 1243 O ALA A 82 5.257 6.555 -7.980 1.00 0.00 O ATOM 1244 CB ALA A 82 3.112 4.862 -6.467 1.00 0.00 C ATOM 0 H ALA A 82 4.890 3.004 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 82 3.806 4.460 -8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.747 5.858 -6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.294 4.145 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.498 4.864 -5.448 1.00 0.00 H new