USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=14 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+ -169:sc= 2.37 (180deg=1.12) USER MOD Set 1.2: A 39 ASN : amide:sc= 1 K(o=3.4,f=-6.6!) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 21 THR OG1 : rot 9:sc= 0.516 USER MOD Single : A 6 TYR OH : rot -120:sc= 1.26 USER MOD Single : A 8 CYS SG : rot 16:sc= 0.861 USER MOD Single : A 17 THR OG1 : rot 1:sc= 0.825 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 27 SER OG : rot 172:sc= 0.0015 USER MOD Single : A 28 GLN : amide:sc= -0.566 K(o=-0.57,f=-4.7!) USER MOD Single : A 35 SER OG : rot 35:sc= 0.366 USER MOD Single : A 53 THR OG1 : rot 110:sc= -0.155 USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= -0.895! (180deg=-1.19!) USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= -0.53 (180deg=-1.79!) USER MOD Single : A 60 MET CE :methyl 160:sc= -0.135 (180deg=-0.775) USER MOD Single : A 67 MET CE :methyl 162:sc= -0.3 (180deg=-1.5) USER MOD Single : A 68 ASN : amide:sc= -0.907 K(o=-0.91,f=-5.9!) USER MOD Single : A 70 GLN : amide:sc= 1.25 K(o=1.2,f=-1.5) USER MOD Single : A 76 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.215 X(o=0.22,f=0.0055) USER MOD ----------------------------------------------------------------- ATOM 68 N GLU A 5 10.076 9.515 1.007 1.00 0.00 N ATOM 69 CA GLU A 5 8.946 8.644 1.111 1.00 0.00 C ATOM 70 C GLU A 5 8.819 7.798 -0.140 1.00 0.00 C ATOM 71 O GLU A 5 8.826 8.313 -1.268 1.00 0.00 O ATOM 72 CB GLU A 5 7.623 9.387 1.381 1.00 0.00 C ATOM 73 CG GLU A 5 7.175 10.364 0.300 1.00 0.00 C ATOM 74 CD GLU A 5 5.675 10.566 0.321 1.00 0.00 C ATOM 75 OE1 GLU A 5 5.165 11.259 1.213 1.00 0.00 O1- ATOM 76 OE2 GLU A 5 4.976 9.968 -0.525 1.00 0.00 O ATOM 0 HA GLU A 5 9.128 8.006 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.836 8.647 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.720 9.933 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.674 11.322 0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.479 9.991 -0.678 1.00 0.00 H new ATOM 83 N TYR A 6 8.769 6.521 0.040 1.00 0.00 N ATOM 84 CA TYR A 6 8.507 5.662 -1.033 1.00 0.00 C ATOM 85 C TYR A 6 7.105 5.195 -1.007 1.00 0.00 C ATOM 86 O TYR A 6 6.733 4.255 -0.304 1.00 0.00 O ATOM 87 CB TYR A 6 9.545 4.575 -1.208 1.00 0.00 C ATOM 88 CG TYR A 6 10.697 5.104 -2.004 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.515 5.369 -3.346 1.00 0.00 C ATOM 90 CD2 TYR A 6 11.936 5.381 -1.439 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.515 5.879 -4.114 1.00 0.00 C ATOM 92 CE2 TYR A 6 12.958 5.902 -2.213 1.00 0.00 C ATOM 93 CZ TYR A 6 12.734 6.145 -3.560 1.00 0.00 C ATOM 94 OH TYR A 6 13.726 6.659 -4.352 1.00 0.00 O ATOM 0 H TYR A 6 8.910 6.058 0.938 1.00 0.00 H new ATOM 0 HA TYR A 6 8.611 6.239 -1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.891 4.229 -0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.105 3.716 -1.714 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.555 5.166 -3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.102 5.188 -0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.345 6.074 -5.163 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.920 6.117 -1.773 1.00 0.00 H new ATOM 0 HH TYR A 6 14.492 6.047 -4.355 1.00 0.00 H new ATOM 104 N ARG A 7 6.326 5.916 -1.739 1.00 0.00 N ATOM 105 CA ARG A 7 4.926 5.735 -1.840 1.00 0.00 C ATOM 106 C ARG A 7 4.675 4.665 -2.900 1.00 0.00 C ATOM 107 O ARG A 7 5.198 4.755 -3.994 1.00 0.00 O ATOM 108 CB ARG A 7 4.329 7.079 -2.292 1.00 0.00 C ATOM 109 CG ARG A 7 2.818 7.200 -2.209 1.00 0.00 C ATOM 110 CD ARG A 7 2.327 7.288 -0.768 1.00 0.00 C ATOM 111 NE ARG A 7 2.816 8.482 -0.044 1.00 0.00 N ATOM 112 CZ ARG A 7 2.355 8.881 1.152 1.00 0.00 C ATOM 113 NH1 ARG A 7 1.321 8.246 1.709 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 2.921 9.902 1.785 1.00 0.00 N ATOM 0 H ARG A 7 6.671 6.687 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 7 4.476 5.425 -0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.770 7.871 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.632 7.259 -3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.495 8.086 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.359 6.340 -2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.237 7.293 -0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.643 6.394 -0.231 1.00 0.00 H new ATOM 0 HE ARG A 7 3.551 9.038 -0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.884 7.461 1.226 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.968 8.546 2.618 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.712 10.389 1.363 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.565 10.199 2.693 1.00 0.00 H new ATOM 128 N CYS A 8 3.927 3.661 -2.545 1.00 0.00 N ATOM 129 CA CYS A 8 3.590 2.564 -3.425 1.00 0.00 C ATOM 130 C CYS A 8 2.080 2.534 -3.598 1.00 0.00 C ATOM 131 O CYS A 8 1.340 2.900 -2.663 1.00 0.00 O ATOM 132 CB CYS A 8 4.088 1.249 -2.807 1.00 0.00 C ATOM 133 SG CYS A 8 3.728 -0.252 -3.752 1.00 0.00 S ATOM 0 H CYS A 8 3.521 3.574 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 8 4.063 2.691 -4.399 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.167 1.320 -2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.647 1.146 -1.815 1.00 0.00 H new ATOM 0 HG CYS A 8 3.395 0.069 -4.967 1.00 0.00 H new ATOM 139 N PHE A 9 1.624 2.130 -4.769 1.00 0.00 N ATOM 140 CA PHE A 9 0.210 2.106 -5.080 1.00 0.00 C ATOM 141 C PHE A 9 -0.361 0.717 -4.820 1.00 0.00 C ATOM 142 O PHE A 9 0.133 -0.284 -5.369 1.00 0.00 O ATOM 143 CB PHE A 9 -0.011 2.498 -6.558 1.00 0.00 C ATOM 144 CG PHE A 9 -1.470 2.617 -6.978 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.207 1.498 -7.336 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.088 3.853 -7.023 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.527 1.609 -7.723 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.409 3.972 -7.409 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.130 2.849 -7.759 1.00 0.00 C ATOM 0 H PHE A 9 2.224 1.810 -5.529 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.304 2.824 -4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.484 3.451 -6.744 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.475 1.757 -7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.740 0.524 -7.312 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.530 4.737 -6.753 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.087 0.727 -7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.878 4.945 -7.437 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.163 2.941 -8.060 1.00 0.00 H new ATOM 159 N VAL A 10 -1.385 0.652 -3.998 1.00 0.00 N ATOM 160 CA VAL A 10 -2.061 -0.590 -3.725 1.00 0.00 C ATOM 161 C VAL A 10 -3.536 -0.412 -4.058 1.00 0.00 C ATOM 162 O VAL A 10 -4.233 0.360 -3.421 1.00 0.00 O ATOM 163 CB VAL A 10 -1.928 -1.020 -2.236 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.551 -2.392 -2.019 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.473 -1.018 -1.784 1.00 0.00 C ATOM 0 H VAL A 10 -1.769 1.457 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.602 -1.369 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.466 -0.291 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.449 -2.677 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.608 -2.358 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.043 -3.125 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.416 -1.323 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.099 -1.714 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.060 -0.015 -1.892 1.00 0.00 H new ATOM 175 N GLY A 11 -3.997 -1.113 -5.040 1.00 0.00 N ATOM 176 CA GLY A 11 -5.358 -1.001 -5.455 1.00 0.00 C ATOM 177 C GLY A 11 -6.015 -2.338 -5.517 1.00 0.00 C ATOM 178 O GLY A 11 -5.337 -3.359 -5.596 1.00 0.00 O ATOM 0 H GLY A 11 -3.443 -1.779 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.901 -0.358 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.404 -0.524 -6.434 1.00 0.00 H new ATOM 182 N GLY A 12 -7.316 -2.347 -5.464 1.00 0.00 N ATOM 183 CA GLY A 12 -8.026 -3.585 -5.520 1.00 0.00 C ATOM 184 C GLY A 12 -8.055 -4.217 -4.169 1.00 0.00 C ATOM 185 O GLY A 12 -7.490 -5.283 -3.962 1.00 0.00 O ATOM 0 H GLY A 12 -7.901 -1.515 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.043 -3.415 -5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.549 -4.256 -6.234 1.00 0.00 H new ATOM 189 N LEU A 13 -8.667 -3.526 -3.254 1.00 0.00 N ATOM 190 CA LEU A 13 -8.807 -3.971 -1.889 1.00 0.00 C ATOM 191 C LEU A 13 -10.206 -4.538 -1.694 1.00 0.00 C ATOM 192 O LEU A 13 -11.030 -4.496 -2.621 1.00 0.00 O ATOM 193 CB LEU A 13 -8.580 -2.797 -0.946 1.00 0.00 C ATOM 194 CG LEU A 13 -7.247 -2.056 -1.099 1.00 0.00 C ATOM 195 CD1 LEU A 13 -7.197 -0.887 -0.158 1.00 0.00 C ATOM 196 CD2 LEU A 13 -6.070 -2.980 -0.846 1.00 0.00 C ATOM 0 H LEU A 13 -9.094 -2.617 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.071 -4.745 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.389 -2.081 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.654 -3.161 0.079 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.177 -1.696 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.246 -0.367 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.015 -0.203 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.294 -1.242 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.140 -2.424 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.131 -3.378 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.093 -3.803 -1.561 1.00 0.00 H new ATOM 208 N ALA A 14 -10.477 -5.068 -0.527 1.00 0.00 N ATOM 209 CA ALA A 14 -11.758 -5.653 -0.248 1.00 0.00 C ATOM 210 C ALA A 14 -12.663 -4.692 0.508 1.00 0.00 C ATOM 211 O ALA A 14 -12.414 -3.477 0.553 1.00 0.00 O ATOM 212 CB ALA A 14 -11.590 -6.966 0.473 1.00 0.00 C ATOM 0 H ALA A 14 -9.817 -5.104 0.250 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.255 -5.857 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.570 -7.397 0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.015 -7.652 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.063 -6.800 1.413 1.00 0.00 H new ATOM 218 N TRP A 15 -13.704 -5.229 1.097 1.00 0.00 N ATOM 219 CA TRP A 15 -14.744 -4.437 1.696 1.00 0.00 C ATOM 220 C TRP A 15 -14.320 -3.889 3.046 1.00 0.00 C ATOM 221 O TRP A 15 -14.685 -2.751 3.400 1.00 0.00 O ATOM 222 CB TRP A 15 -16.024 -5.283 1.822 1.00 0.00 C ATOM 223 CG TRP A 15 -17.295 -4.485 1.989 1.00 0.00 C ATOM 224 CD1 TRP A 15 -18.205 -4.194 1.016 1.00 0.00 C ATOM 225 CD2 TRP A 15 -17.787 -3.874 3.185 1.00 0.00 C ATOM 226 NE1 TRP A 15 -19.236 -3.450 1.539 1.00 0.00 N ATOM 227 CE2 TRP A 15 -19.002 -3.241 2.869 1.00 0.00 C ATOM 228 CE3 TRP A 15 -17.316 -3.811 4.482 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -19.749 -2.553 3.820 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -18.049 -3.128 5.432 1.00 0.00 C ATOM 231 CH2 TRP A 15 -19.258 -2.508 5.097 1.00 0.00 C ATOM 0 H TRP A 15 -13.852 -6.235 1.173 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.943 -3.580 1.053 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -16.118 -5.909 0.935 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.917 -5.953 2.675 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -18.127 -4.503 -0.016 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -20.044 -3.109 1.019 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -16.386 -4.290 4.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -20.681 -2.073 3.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.684 -3.071 6.447 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -19.814 -1.984 5.860 1.00 0.00 H new ATOM 242 N ALA A 16 -13.523 -4.640 3.765 1.00 0.00 N ATOM 243 CA ALA A 16 -13.184 -4.271 5.137 1.00 0.00 C ATOM 244 C ALA A 16 -11.711 -3.944 5.278 1.00 0.00 C ATOM 245 O ALA A 16 -11.205 -3.728 6.391 1.00 0.00 O ATOM 246 CB ALA A 16 -13.583 -5.387 6.094 1.00 0.00 C ATOM 0 H ALA A 16 -13.095 -5.505 3.436 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.743 -3.371 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.326 -5.101 7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.657 -5.558 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.052 -6.301 5.829 1.00 0.00 H new ATOM 252 N THR A 17 -11.040 -3.869 4.157 1.00 0.00 N ATOM 253 CA THR A 17 -9.642 -3.595 4.136 1.00 0.00 C ATOM 254 C THR A 17 -9.368 -2.162 4.613 1.00 0.00 C ATOM 255 O THR A 17 -9.848 -1.174 4.016 1.00 0.00 O ATOM 256 CB THR A 17 -9.086 -3.788 2.724 1.00 0.00 C ATOM 257 OG1 THR A 17 -9.562 -5.035 2.189 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.562 -3.815 2.753 1.00 0.00 C ATOM 0 H THR A 17 -11.457 -3.998 3.235 1.00 0.00 H new ATOM 0 HA THR A 17 -9.145 -4.291 4.812 1.00 0.00 H new ATOM 0 HB THR A 17 -9.420 -2.958 2.101 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.146 -5.470 2.844 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.181 -3.953 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.189 -2.873 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.225 -4.638 3.383 1.00 0.00 H new ATOM 266 N THR A 18 -8.631 -2.057 5.685 1.00 0.00 N ATOM 267 CA THR A 18 -8.287 -0.801 6.255 1.00 0.00 C ATOM 268 C THR A 18 -6.789 -0.607 6.164 1.00 0.00 C ATOM 269 O THR A 18 -6.057 -1.519 5.758 1.00 0.00 O ATOM 270 CB THR A 18 -8.722 -0.753 7.734 1.00 0.00 C ATOM 271 OG1 THR A 18 -8.209 -1.912 8.413 1.00 0.00 O ATOM 272 CG2 THR A 18 -10.240 -0.715 7.861 1.00 0.00 C ATOM 0 H THR A 18 -8.251 -2.859 6.188 1.00 0.00 H new ATOM 0 HA THR A 18 -8.798 -0.007 5.709 1.00 0.00 H new ATOM 0 HB THR A 18 -8.322 0.155 8.185 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.481 -1.887 9.354 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.516 -0.682 8.915 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.625 0.171 7.357 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.666 -1.607 7.402 1.00 0.00 H new ATOM 280 N ASP A 19 -6.332 0.561 6.527 1.00 0.00 N ATOM 281 CA ASP A 19 -4.910 0.859 6.550 1.00 0.00 C ATOM 282 C ASP A 19 -4.251 0.190 7.710 1.00 0.00 C ATOM 283 O ASP A 19 -3.060 -0.090 7.686 1.00 0.00 O ATOM 284 CB ASP A 19 -4.631 2.359 6.531 1.00 0.00 C ATOM 285 CG ASP A 19 -5.751 3.204 7.074 1.00 0.00 C ATOM 286 OD1 ASP A 19 -6.034 3.165 8.266 1.00 0.00 O1- ATOM 287 OD2 ASP A 19 -6.405 3.900 6.257 1.00 0.00 O ATOM 0 H ASP A 19 -6.927 1.337 6.816 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.477 0.456 5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.729 2.556 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.425 2.665 5.505 1.00 0.00 H new ATOM 292 N GLN A 20 -5.052 -0.113 8.698 1.00 0.00 N ATOM 293 CA GLN A 20 -4.614 -0.850 9.862 1.00 0.00 C ATOM 294 C GLN A 20 -4.156 -2.249 9.438 1.00 0.00 C ATOM 295 O GLN A 20 -3.076 -2.702 9.807 1.00 0.00 O ATOM 296 CB GLN A 20 -5.761 -0.958 10.863 1.00 0.00 C ATOM 297 CG GLN A 20 -6.326 0.386 11.293 1.00 0.00 C ATOM 298 CD GLN A 20 -7.481 0.255 12.262 1.00 0.00 C ATOM 299 OE1 GLN A 20 -8.225 -0.711 12.238 1.00 0.00 O ATOM 300 NE2 GLN A 20 -7.644 1.234 13.112 1.00 0.00 N ATOM 0 H GLN A 20 -6.038 0.146 8.720 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.781 -0.327 10.332 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.560 -1.554 10.423 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.412 -1.494 11.745 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.535 0.976 11.756 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.658 0.934 10.411 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.003 2.028 13.105 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.412 1.205 13.783 1.00 0.00 H new ATOM 309 N THR A 21 -4.968 -2.912 8.628 1.00 0.00 N ATOM 310 CA THR A 21 -4.638 -4.234 8.157 1.00 0.00 C ATOM 311 C THR A 21 -3.607 -4.181 7.022 1.00 0.00 C ATOM 312 O THR A 21 -2.823 -5.113 6.841 1.00 0.00 O ATOM 313 CB THR A 21 -5.907 -5.018 7.727 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.695 -4.239 6.804 1.00 0.00 O ATOM 315 CG2 THR A 21 -6.757 -5.375 8.939 1.00 0.00 C ATOM 0 H THR A 21 -5.859 -2.550 8.287 1.00 0.00 H new ATOM 0 HA THR A 21 -4.186 -4.773 8.990 1.00 0.00 H new ATOM 0 HB THR A 21 -5.582 -5.936 7.237 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.191 -3.442 6.535 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.641 -5.924 8.614 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.175 -5.995 9.622 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.064 -4.462 9.450 1.00 0.00 H new ATOM 323 N LEU A 22 -3.608 -3.081 6.274 1.00 0.00 N ATOM 324 CA LEU A 22 -2.671 -2.892 5.174 1.00 0.00 C ATOM 325 C LEU A 22 -1.256 -2.705 5.721 1.00 0.00 C ATOM 326 O LEU A 22 -0.290 -3.257 5.180 1.00 0.00 O ATOM 327 CB LEU A 22 -3.042 -1.649 4.364 1.00 0.00 C ATOM 328 CG LEU A 22 -2.318 -1.491 3.028 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.911 -2.422 1.984 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.321 -0.048 2.558 1.00 0.00 C ATOM 0 H LEU A 22 -4.253 -2.303 6.412 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.715 -3.774 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.115 -1.667 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.841 -0.767 4.972 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.276 -1.773 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.382 -2.294 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.812 -3.455 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.966 -2.186 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.797 0.025 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.349 0.292 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.819 0.576 3.297 1.00 0.00 H new ATOM 342 N GLY A 23 -1.157 -1.921 6.796 1.00 0.00 N ATOM 343 CA GLY A 23 0.112 -1.615 7.412 1.00 0.00 C ATOM 344 C GLY A 23 0.865 -2.846 7.830 1.00 0.00 C ATOM 345 O GLY A 23 1.946 -3.096 7.330 1.00 0.00 O ATOM 0 H GLY A 23 -1.958 -1.487 7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.721 -1.041 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.055 -0.983 8.284 1.00 0.00 H new ATOM 349 N GLU A 24 0.256 -3.659 8.667 1.00 0.00 N ATOM 350 CA GLU A 24 0.898 -4.876 9.166 1.00 0.00 C ATOM 351 C GLU A 24 1.220 -5.870 8.055 1.00 0.00 C ATOM 352 O GLU A 24 2.183 -6.630 8.148 1.00 0.00 O ATOM 353 CB GLU A 24 0.091 -5.507 10.291 1.00 0.00 C ATOM 354 CG GLU A 24 0.110 -4.672 11.560 1.00 0.00 C ATOM 355 CD GLU A 24 1.517 -4.537 12.134 1.00 0.00 C ATOM 356 OE1 GLU A 24 2.298 -3.682 11.642 1.00 0.00 O ATOM 357 OE2 GLU A 24 1.845 -5.286 13.066 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.688 -3.506 9.023 1.00 0.00 H new ATOM 0 HA GLU A 24 1.859 -4.578 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.940 -5.641 9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.488 -6.499 10.507 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.292 -3.681 11.348 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.543 -5.128 12.304 1.00 0.00 H new ATOM 364 N ALA A 25 0.437 -5.836 6.992 1.00 0.00 N ATOM 365 CA ALA A 25 0.676 -6.689 5.846 1.00 0.00 C ATOM 366 C ALA A 25 2.025 -6.342 5.193 1.00 0.00 C ATOM 367 O ALA A 25 2.813 -7.226 4.866 1.00 0.00 O ATOM 368 CB ALA A 25 -0.463 -6.555 4.842 1.00 0.00 C ATOM 0 H ALA A 25 -0.373 -5.223 6.900 1.00 0.00 H new ATOM 0 HA ALA A 25 0.717 -7.725 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.271 -7.201 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.401 -6.848 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.533 -5.520 4.507 1.00 0.00 H new ATOM 374 N PHE A 26 2.290 -5.057 5.035 1.00 0.00 N ATOM 375 CA PHE A 26 3.531 -4.598 4.428 1.00 0.00 C ATOM 376 C PHE A 26 4.659 -4.410 5.442 1.00 0.00 C ATOM 377 O PHE A 26 5.827 -4.307 5.066 1.00 0.00 O ATOM 378 CB PHE A 26 3.304 -3.323 3.630 1.00 0.00 C ATOM 379 CG PHE A 26 2.490 -3.533 2.391 1.00 0.00 C ATOM 380 CD1 PHE A 26 3.051 -4.146 1.296 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.181 -3.107 2.314 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.329 -4.339 0.140 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.449 -3.298 1.160 1.00 0.00 C ATOM 384 CZ PHE A 26 1.024 -3.915 0.072 1.00 0.00 C ATOM 0 H PHE A 26 1.659 -4.308 5.320 1.00 0.00 H new ATOM 0 HA PHE A 26 3.853 -5.387 3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.804 -2.591 4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.270 -2.899 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.076 -4.482 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.725 -2.620 3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.787 -4.822 -0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.577 -2.963 1.110 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.452 -4.065 -0.831 1.00 0.00 H new ATOM 394 N SER A 27 4.303 -4.382 6.712 1.00 0.00 N ATOM 395 CA SER A 27 5.244 -4.202 7.823 1.00 0.00 C ATOM 396 C SER A 27 6.264 -5.357 7.842 1.00 0.00 C ATOM 397 O SER A 27 7.430 -5.179 8.180 1.00 0.00 O ATOM 398 CB SER A 27 4.431 -4.133 9.137 1.00 0.00 C ATOM 399 OG SER A 27 5.197 -3.768 10.260 1.00 0.00 O ATOM 0 H SER A 27 3.335 -4.485 7.016 1.00 0.00 H new ATOM 0 HA SER A 27 5.809 -3.277 7.706 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.619 -3.416 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.973 -5.105 9.321 1.00 0.00 H new ATOM 0 HG SER A 27 4.604 -3.622 11.027 1.00 0.00 H new ATOM 405 N GLN A 28 5.813 -6.516 7.376 1.00 0.00 N ATOM 406 CA GLN A 28 6.631 -7.718 7.303 1.00 0.00 C ATOM 407 C GLN A 28 7.657 -7.618 6.141 1.00 0.00 C ATOM 408 O GLN A 28 8.572 -8.431 6.029 1.00 0.00 O ATOM 409 CB GLN A 28 5.693 -8.921 7.085 1.00 0.00 C ATOM 410 CG GLN A 28 6.361 -10.298 7.090 1.00 0.00 C ATOM 411 CD GLN A 28 6.913 -10.721 8.450 1.00 0.00 C ATOM 412 OE1 GLN A 28 7.309 -9.913 9.269 1.00 0.00 O ATOM 413 NE2 GLN A 28 6.941 -12.008 8.690 1.00 0.00 N ATOM 0 H GLN A 28 4.861 -6.648 7.036 1.00 0.00 H new ATOM 0 HA GLN A 28 7.194 -7.839 8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.928 -8.907 7.862 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.181 -8.790 6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.637 -11.042 6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.174 -10.298 6.364 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.603 -12.665 7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.301 -12.353 9.580 1.00 0.00 H new ATOM 422 N PHE A 29 7.491 -6.622 5.293 1.00 0.00 N ATOM 423 CA PHE A 29 8.351 -6.463 4.128 1.00 0.00 C ATOM 424 C PHE A 29 9.327 -5.309 4.272 1.00 0.00 C ATOM 425 O PHE A 29 10.495 -5.427 3.895 1.00 0.00 O ATOM 426 CB PHE A 29 7.526 -6.293 2.844 1.00 0.00 C ATOM 427 CG PHE A 29 6.761 -7.520 2.434 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.499 -7.773 2.934 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.312 -8.419 1.539 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.803 -8.896 2.552 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.619 -9.546 1.150 1.00 0.00 C ATOM 432 CZ PHE A 29 5.361 -9.787 1.658 1.00 0.00 C ATOM 0 H PHE A 29 6.769 -5.908 5.386 1.00 0.00 H new ATOM 0 HA PHE A 29 8.935 -7.381 4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.824 -5.471 2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.194 -6.007 2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.053 -7.081 3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.298 -8.236 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.817 -9.081 2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.061 -10.238 0.449 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.814 -10.669 1.358 1.00 0.00 H new ATOM 442 N GLY A 30 8.878 -4.197 4.814 1.00 0.00 N ATOM 443 CA GLY A 30 9.754 -3.073 4.892 1.00 0.00 C ATOM 444 C GLY A 30 9.336 -2.049 5.897 1.00 0.00 C ATOM 445 O GLY A 30 8.242 -2.115 6.449 1.00 0.00 O ATOM 0 H GLY A 30 7.941 -4.058 5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.757 -3.422 5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.813 -2.602 3.911 1.00 0.00 H new ATOM 449 N GLU A 31 10.219 -1.094 6.107 1.00 0.00 N ATOM 450 CA GLU A 31 10.026 -0.001 7.036 1.00 0.00 C ATOM 451 C GLU A 31 8.942 0.930 6.501 1.00 0.00 C ATOM 452 O GLU A 31 9.096 1.518 5.416 1.00 0.00 O ATOM 453 CB GLU A 31 11.336 0.762 7.157 1.00 0.00 C ATOM 454 CG GLU A 31 11.354 1.855 8.202 1.00 0.00 C ATOM 455 CD GLU A 31 12.577 2.709 8.060 1.00 0.00 C ATOM 456 OE1 GLU A 31 13.695 2.223 8.281 1.00 0.00 O1- ATOM 457 OE2 GLU A 31 12.450 3.854 7.614 1.00 0.00 O ATOM 0 H GLU A 31 11.116 -1.057 5.622 1.00 0.00 H new ATOM 0 HA GLU A 31 9.722 -0.382 8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.131 0.052 7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.571 1.204 6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.461 2.472 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.328 1.412 9.198 1.00 0.00 H new ATOM 464 N ILE A 32 7.871 1.045 7.235 1.00 0.00 N ATOM 465 CA ILE A 32 6.745 1.850 6.834 1.00 0.00 C ATOM 466 C ILE A 32 6.746 3.194 7.555 1.00 0.00 C ATOM 467 O ILE A 32 6.868 3.254 8.774 1.00 0.00 O ATOM 468 CB ILE A 32 5.409 1.100 7.100 1.00 0.00 C ATOM 469 CG1 ILE A 32 5.347 -0.181 6.262 1.00 0.00 C ATOM 470 CG2 ILE A 32 4.196 1.983 6.826 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.070 -0.957 6.433 1.00 0.00 C ATOM 0 H ILE A 32 7.751 0.581 8.135 1.00 0.00 H new ATOM 0 HA ILE A 32 6.835 2.035 5.764 1.00 0.00 H new ATOM 0 HB ILE A 32 5.382 0.835 8.157 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.466 0.078 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.188 -0.820 6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.284 1.420 7.024 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.230 2.859 7.474 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.206 2.302 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.100 -1.850 5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.958 -1.248 7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.224 -0.336 6.137 1.00 0.00 H new ATOM 483 N LEU A 33 6.626 4.257 6.783 1.00 0.00 N ATOM 484 CA LEU A 33 6.564 5.610 7.318 1.00 0.00 C ATOM 485 C LEU A 33 5.116 6.016 7.509 1.00 0.00 C ATOM 486 O LEU A 33 4.777 6.762 8.419 1.00 0.00 O ATOM 487 CB LEU A 33 7.210 6.612 6.350 1.00 0.00 C ATOM 488 CG LEU A 33 8.674 6.386 5.981 1.00 0.00 C ATOM 489 CD1 LEU A 33 9.149 7.489 5.044 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.548 6.326 7.232 1.00 0.00 C ATOM 0 H LEU A 33 6.568 4.210 5.766 1.00 0.00 H new ATOM 0 HA LEU A 33 7.100 5.620 8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.627 6.615 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.122 7.607 6.786 1.00 0.00 H new ATOM 0 HG LEU A 33 8.760 5.428 5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.194 7.321 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.545 7.481 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.048 8.455 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.586 6.164 6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.466 7.265 7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.217 5.505 7.868 1.00 0.00 H new ATOM 502 N ASP A 34 4.279 5.500 6.636 1.00 0.00 N ATOM 503 CA ASP A 34 2.864 5.838 6.573 1.00 0.00 C ATOM 504 C ASP A 34 2.145 4.774 5.776 1.00 0.00 C ATOM 505 O ASP A 34 2.752 4.126 4.929 1.00 0.00 O ATOM 506 CB ASP A 34 2.679 7.232 5.912 1.00 0.00 C ATOM 507 CG ASP A 34 1.253 7.522 5.472 1.00 0.00 C ATOM 508 OD1 ASP A 34 0.347 7.496 6.310 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 1.044 7.731 4.250 1.00 0.00 O ATOM 0 H ASP A 34 4.564 4.819 5.933 1.00 0.00 H new ATOM 0 HA ASP A 34 2.447 5.881 7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.995 8.002 6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.337 7.303 5.046 1.00 0.00 H new ATOM 514 N SER A 35 0.910 4.559 6.067 1.00 0.00 N ATOM 515 CA SER A 35 0.108 3.608 5.367 1.00 0.00 C ATOM 516 C SER A 35 -1.332 4.028 5.494 1.00 0.00 C ATOM 517 O SER A 35 -1.909 3.944 6.579 1.00 0.00 O ATOM 518 CB SER A 35 0.352 2.182 5.903 1.00 0.00 C ATOM 519 OG SER A 35 0.161 2.118 7.308 1.00 0.00 O ATOM 0 H SER A 35 0.415 5.048 6.813 1.00 0.00 H new ATOM 0 HA SER A 35 0.379 3.584 4.311 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.326 1.485 5.410 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.366 1.868 5.657 1.00 0.00 H new ATOM 0 HG SER A 35 -0.566 2.722 7.567 1.00 0.00 H new ATOM 525 N LYS A 36 -1.896 4.509 4.421 1.00 0.00 N ATOM 526 CA LYS A 36 -3.237 5.015 4.445 1.00 0.00 C ATOM 527 C LYS A 36 -4.047 4.570 3.266 1.00 0.00 C ATOM 528 O LYS A 36 -3.585 4.596 2.115 1.00 0.00 O ATOM 529 CB LYS A 36 -3.265 6.552 4.546 1.00 0.00 C ATOM 530 CG LYS A 36 -3.279 7.111 5.973 1.00 0.00 C ATOM 531 CD LYS A 36 -4.522 6.642 6.747 1.00 0.00 C ATOM 532 CE LYS A 36 -5.824 7.039 6.042 1.00 0.00 C ATOM 533 NZ LYS A 36 -7.004 6.394 6.656 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.440 4.561 3.510 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.694 4.593 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.394 6.950 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.147 6.919 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.379 6.792 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.259 8.200 5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.489 5.559 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.508 7.071 7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.942 8.122 6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.766 6.762 4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.834 6.535 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.825 5.376 6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.185 6.817 7.589 1.00 0.00 H new ATOM 547 N ILE A 37 -5.249 4.150 3.546 1.00 0.00 N ATOM 548 CA ILE A 37 -6.181 3.830 2.515 1.00 0.00 C ATOM 549 C ILE A 37 -6.831 5.123 2.106 1.00 0.00 C ATOM 550 O ILE A 37 -7.028 6.016 2.948 1.00 0.00 O ATOM 551 CB ILE A 37 -7.272 2.830 3.007 1.00 0.00 C ATOM 552 CG1 ILE A 37 -6.642 1.544 3.514 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.289 2.515 1.921 1.00 0.00 C ATOM 554 CD1 ILE A 37 -5.780 0.827 2.511 1.00 0.00 C ATOM 0 H ILE A 37 -5.604 4.022 4.494 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.663 3.350 1.685 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.798 3.317 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.039 1.773 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.435 0.870 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.030 1.815 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.786 3.434 1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.781 2.070 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.374 -0.078 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.379 0.561 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.962 1.478 2.203 1.00 0.00 H new ATOM 566 N ILE A 38 -7.114 5.265 0.848 1.00 0.00 N ATOM 567 CA ILE A 38 -7.775 6.434 0.387 1.00 0.00 C ATOM 568 C ILE A 38 -9.230 6.289 0.725 1.00 0.00 C ATOM 569 O ILE A 38 -9.937 5.433 0.168 1.00 0.00 O ATOM 570 CB ILE A 38 -7.548 6.669 -1.129 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.039 6.839 -1.415 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.338 7.881 -1.631 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.397 8.040 -0.731 1.00 0.00 C ATOM 0 H ILE A 38 -6.894 4.580 0.124 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.364 7.316 0.878 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.914 5.796 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.518 5.935 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.894 6.930 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.156 8.018 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.402 7.717 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.018 8.773 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.338 8.082 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.887 8.954 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.505 7.944 0.349 1.00 0.00 H new ATOM 585 N ASN A 39 -9.645 7.051 1.696 1.00 0.00 N ATOM 586 CA ASN A 39 -10.978 6.973 2.186 1.00 0.00 C ATOM 587 C ASN A 39 -11.940 7.730 1.325 1.00 0.00 C ATOM 588 O ASN A 39 -11.571 8.642 0.567 1.00 0.00 O ATOM 589 CB ASN A 39 -11.106 7.394 3.659 1.00 0.00 C ATOM 590 CG ASN A 39 -10.353 6.480 4.615 1.00 0.00 C ATOM 591 OD1 ASN A 39 -9.215 6.760 5.027 1.00 0.00 O ATOM 592 ND2 ASN A 39 -10.952 5.370 4.943 1.00 0.00 N ATOM 0 H ASN A 39 -9.062 7.743 2.167 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.245 5.917 2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.734 8.412 3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.160 7.408 3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.486 4.701 5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.887 5.171 4.587 1.00 0.00 H new ATOM 706 N ARG A 47 -12.001 3.704 -0.582 1.00 0.00 N ATOM 707 CA ARG A 47 -12.373 3.817 -2.007 1.00 0.00 C ATOM 708 C ARG A 47 -11.889 2.622 -2.828 1.00 0.00 C ATOM 709 O ARG A 47 -11.991 2.621 -4.046 1.00 0.00 O ATOM 710 CB ARG A 47 -11.880 5.124 -2.652 1.00 0.00 C ATOM 711 CG ARG A 47 -12.261 6.368 -1.886 1.00 0.00 C ATOM 712 CD ARG A 47 -12.208 7.623 -2.739 1.00 0.00 C ATOM 713 NE ARG A 47 -13.350 7.677 -3.673 1.00 0.00 N ATOM 714 CZ ARG A 47 -14.407 8.514 -3.534 1.00 0.00 C ATOM 715 NH1 ARG A 47 -14.379 9.479 -2.624 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -15.469 8.401 -4.324 1.00 0.00 N ATOM 0 HA ARG A 47 -13.463 3.828 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.795 5.085 -2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.284 5.194 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.268 6.249 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.591 6.484 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.217 8.504 -2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.274 7.647 -3.300 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.343 7.045 -4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.560 9.593 -2.026 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.176 10.107 -2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.495 7.679 -5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.259 9.036 -4.211 1.00 0.00 H new ATOM 730 N GLY A 48 -11.356 1.620 -2.158 1.00 0.00 N ATOM 731 CA GLY A 48 -10.948 0.411 -2.848 1.00 0.00 C ATOM 732 C GLY A 48 -9.470 0.360 -3.160 1.00 0.00 C ATOM 733 O GLY A 48 -8.985 -0.627 -3.733 1.00 0.00 O ATOM 0 H GLY A 48 -11.196 1.616 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.211 -0.452 -2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.510 0.327 -3.778 1.00 0.00 H new ATOM 737 N PHE A 49 -8.745 1.402 -2.798 1.00 0.00 N ATOM 738 CA PHE A 49 -7.316 1.431 -3.007 1.00 0.00 C ATOM 739 C PHE A 49 -6.672 2.304 -1.937 1.00 0.00 C ATOM 740 O PHE A 49 -7.378 3.048 -1.230 1.00 0.00 O ATOM 741 CB PHE A 49 -6.956 1.923 -4.434 1.00 0.00 C ATOM 742 CG PHE A 49 -7.085 3.396 -4.669 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.321 4.001 -4.822 1.00 0.00 C ATOM 744 CD2 PHE A 49 -5.946 4.172 -4.747 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.415 5.362 -5.044 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.028 5.530 -4.970 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.266 6.129 -5.118 1.00 0.00 C ATOM 0 H PHE A 49 -9.126 2.239 -2.357 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.926 0.417 -2.922 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.929 1.629 -4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.594 1.403 -5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.219 3.404 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.977 3.709 -4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.383 5.826 -5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.128 6.124 -5.029 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.335 7.193 -5.291 1.00 0.00 H new ATOM 757 N GLY A 50 -5.381 2.211 -1.806 1.00 0.00 N ATOM 758 CA GLY A 50 -4.667 2.960 -0.824 1.00 0.00 C ATOM 759 C GLY A 50 -3.205 3.052 -1.164 1.00 0.00 C ATOM 760 O GLY A 50 -2.765 2.540 -2.200 1.00 0.00 O ATOM 0 H GLY A 50 -4.794 1.609 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.089 3.962 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.787 2.491 0.153 1.00 0.00 H new ATOM 764 N PHE A 51 -2.455 3.690 -0.317 1.00 0.00 N ATOM 765 CA PHE A 51 -1.038 3.830 -0.518 1.00 0.00 C ATOM 766 C PHE A 51 -0.281 3.405 0.716 1.00 0.00 C ATOM 767 O PHE A 51 -0.750 3.587 1.845 1.00 0.00 O ATOM 768 CB PHE A 51 -0.653 5.275 -0.863 1.00 0.00 C ATOM 769 CG PHE A 51 -1.128 5.772 -2.202 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.377 5.542 -3.340 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.304 6.488 -2.317 1.00 0.00 C ATOM 772 CE1 PHE A 51 -0.788 6.014 -4.568 1.00 0.00 C ATOM 773 CE2 PHE A 51 -2.726 6.960 -3.542 1.00 0.00 C ATOM 774 CZ PHE A 51 -1.967 6.725 -4.671 1.00 0.00 C ATOM 0 H PHE A 51 -2.805 4.130 0.534 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.772 3.186 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.050 5.932 -0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.433 5.361 -0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.545 4.984 -3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.900 6.680 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.189 5.828 -5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.650 7.513 -3.618 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.294 7.096 -5.631 1.00 0.00 H new ATOM 784 N VAL A 52 0.869 2.842 0.507 1.00 0.00 N ATOM 785 CA VAL A 52 1.741 2.475 1.588 1.00 0.00 C ATOM 786 C VAL A 52 3.071 3.185 1.375 1.00 0.00 C ATOM 787 O VAL A 52 3.526 3.326 0.230 1.00 0.00 O ATOM 788 CB VAL A 52 1.897 0.919 1.748 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.464 0.259 0.508 1.00 0.00 C ATOM 790 CG2 VAL A 52 2.725 0.564 2.980 1.00 0.00 C ATOM 0 H VAL A 52 1.234 2.622 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 52 1.304 2.796 2.534 1.00 0.00 H new ATOM 0 HB VAL A 52 0.891 0.523 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.550 -0.815 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.801 0.443 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.449 0.673 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.813 -0.520 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.719 1.003 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.236 0.955 3.872 1.00 0.00 H new ATOM 800 N THR A 53 3.631 3.687 2.430 1.00 0.00 N ATOM 801 CA THR A 53 4.806 4.494 2.371 1.00 0.00 C ATOM 802 C THR A 53 5.974 3.839 3.065 1.00 0.00 C ATOM 803 O THR A 53 5.919 3.536 4.254 1.00 0.00 O ATOM 804 CB THR A 53 4.513 5.823 3.046 1.00 0.00 C ATOM 805 OG1 THR A 53 3.306 6.346 2.491 1.00 0.00 O ATOM 806 CG2 THR A 53 5.651 6.797 2.830 1.00 0.00 C ATOM 0 H THR A 53 3.276 3.544 3.375 1.00 0.00 H new ATOM 0 HA THR A 53 5.074 4.633 1.324 1.00 0.00 H new ATOM 0 HB THR A 53 4.404 5.674 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.593 6.306 3.162 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.420 7.742 3.322 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.568 6.384 3.250 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.786 6.968 1.762 1.00 0.00 H new ATOM 814 N PHE A 54 7.004 3.634 2.323 1.00 0.00 N ATOM 815 CA PHE A 54 8.230 3.096 2.814 1.00 0.00 C ATOM 816 C PHE A 54 9.270 4.187 2.853 1.00 0.00 C ATOM 817 O PHE A 54 9.010 5.300 2.419 1.00 0.00 O ATOM 818 CB PHE A 54 8.706 1.987 1.902 1.00 0.00 C ATOM 819 CG PHE A 54 7.816 0.781 1.896 1.00 0.00 C ATOM 820 CD1 PHE A 54 7.924 -0.180 2.885 1.00 0.00 C ATOM 821 CD2 PHE A 54 6.866 0.613 0.906 1.00 0.00 C ATOM 822 CE1 PHE A 54 7.101 -1.285 2.885 1.00 0.00 C ATOM 823 CE2 PHE A 54 6.044 -0.487 0.902 1.00 0.00 C ATOM 824 CZ PHE A 54 6.161 -1.437 1.892 1.00 0.00 C ATOM 0 H PHE A 54 7.020 3.842 1.325 1.00 0.00 H new ATOM 0 HA PHE A 54 8.073 2.696 3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.784 2.374 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.708 1.685 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.661 -0.063 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.769 1.355 0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.193 -2.029 3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.306 -0.607 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.514 -2.302 1.889 1.00 0.00 H new ATOM 834 N LYS A 55 10.422 3.889 3.384 1.00 0.00 N ATOM 835 CA LYS A 55 11.506 4.853 3.386 1.00 0.00 C ATOM 836 C LYS A 55 12.571 4.416 2.388 1.00 0.00 C ATOM 837 O LYS A 55 13.261 5.227 1.800 1.00 0.00 O ATOM 838 CB LYS A 55 12.057 5.006 4.812 1.00 0.00 C ATOM 839 CG LYS A 55 13.026 6.182 5.045 1.00 0.00 C ATOM 840 CD LYS A 55 14.495 5.858 4.746 1.00 0.00 C ATOM 841 CE LYS A 55 15.193 5.082 5.888 1.00 0.00 C ATOM 842 NZ LYS A 55 14.634 3.744 6.130 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.642 2.994 3.821 1.00 0.00 H new ATOM 0 HA LYS A 55 11.149 5.834 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.214 5.116 5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.568 4.082 5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.717 7.021 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.942 6.507 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.551 5.271 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.035 6.787 4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.253 4.985 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.123 5.665 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.234 3.235 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.672 3.834 6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.600 3.215 5.235 1.00 0.00 H new ATOM 856 N ASP A 56 12.672 3.123 2.180 1.00 0.00 N ATOM 857 CA ASP A 56 13.625 2.584 1.229 1.00 0.00 C ATOM 858 C ASP A 56 12.886 2.012 0.066 1.00 0.00 C ATOM 859 O ASP A 56 11.893 1.294 0.245 1.00 0.00 O ATOM 860 CB ASP A 56 14.510 1.503 1.860 1.00 0.00 C ATOM 861 CG ASP A 56 15.511 2.060 2.837 1.00 0.00 C ATOM 862 OD1 ASP A 56 15.162 2.272 4.015 1.00 0.00 O ATOM 863 OD2 ASP A 56 16.662 2.291 2.440 1.00 0.00 O1- ATOM 0 H ASP A 56 12.106 2.421 2.657 1.00 0.00 H new ATOM 0 HA ASP A 56 14.276 3.395 0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.878 0.776 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.039 0.968 1.071 1.00 0.00 H new ATOM 868 N GLU A 57 13.375 2.274 -1.121 1.00 0.00 N ATOM 869 CA GLU A 57 12.705 1.828 -2.316 1.00 0.00 C ATOM 870 C GLU A 57 12.883 0.357 -2.564 1.00 0.00 C ATOM 871 O GLU A 57 12.011 -0.272 -3.126 1.00 0.00 O ATOM 872 CB GLU A 57 13.115 2.628 -3.531 1.00 0.00 C ATOM 873 CG GLU A 57 14.592 2.645 -3.826 1.00 0.00 C ATOM 874 CD GLU A 57 14.883 3.408 -5.083 1.00 0.00 C ATOM 875 OE1 GLU A 57 14.734 2.820 -6.177 1.00 0.00 O ATOM 876 OE2 GLU A 57 15.230 4.589 -4.991 1.00 0.00 O1- ATOM 0 H GLU A 57 14.236 2.795 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 57 11.643 2.002 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.593 2.229 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.776 3.656 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.128 3.096 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.958 1.623 -3.924 1.00 0.00 H new ATOM 883 N LYS A 58 14.005 -0.202 -2.139 1.00 0.00 N ATOM 884 CA LYS A 58 14.245 -1.631 -2.334 1.00 0.00 C ATOM 885 C LYS A 58 13.166 -2.409 -1.599 1.00 0.00 C ATOM 886 O LYS A 58 12.520 -3.253 -2.189 1.00 0.00 O ATOM 887 CB LYS A 58 15.667 -2.044 -1.864 1.00 0.00 C ATOM 888 CG LYS A 58 16.204 -3.373 -2.470 1.00 0.00 C ATOM 889 CD LYS A 58 15.499 -4.648 -1.985 1.00 0.00 C ATOM 890 CE LYS A 58 15.800 -4.977 -0.525 1.00 0.00 C ATOM 891 NZ LYS A 58 15.077 -6.194 -0.087 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.756 0.299 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 58 14.197 -1.862 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.362 -1.242 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.661 -2.134 -0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.116 -3.320 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.266 -3.455 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.423 -4.532 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.805 -5.486 -2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.873 -5.123 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.515 -4.135 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.644 -6.698 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.162 -5.924 0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.916 -6.816 -0.905 1.00 0.00 H new ATOM 905 N ALA A 59 12.915 -2.013 -0.348 1.00 0.00 N ATOM 906 CA ALA A 59 11.915 -2.663 0.511 1.00 0.00 C ATOM 907 C ALA A 59 10.511 -2.505 -0.067 1.00 0.00 C ATOM 908 O ALA A 59 9.624 -3.317 0.177 1.00 0.00 O ATOM 909 CB ALA A 59 11.983 -2.090 1.916 1.00 0.00 C ATOM 0 H ALA A 59 13.398 -1.234 0.100 1.00 0.00 H new ATOM 0 HA ALA A 59 12.140 -3.729 0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.238 -2.578 2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.976 -2.261 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.783 -1.019 1.882 1.00 0.00 H new ATOM 915 N MET A 60 10.331 -1.453 -0.842 1.00 0.00 N ATOM 916 CA MET A 60 9.075 -1.200 -1.504 1.00 0.00 C ATOM 917 C MET A 60 8.840 -2.255 -2.588 1.00 0.00 C ATOM 918 O MET A 60 7.732 -2.735 -2.756 1.00 0.00 O ATOM 919 CB MET A 60 9.061 0.208 -2.102 1.00 0.00 C ATOM 920 CG MET A 60 7.754 0.591 -2.776 1.00 0.00 C ATOM 921 SD MET A 60 7.801 2.245 -3.493 1.00 0.00 S ATOM 922 CE MET A 60 9.091 2.048 -4.723 1.00 0.00 C ATOM 0 H MET A 60 11.051 -0.755 -1.027 1.00 0.00 H new ATOM 0 HA MET A 60 8.268 -1.264 -0.774 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.272 0.928 -1.311 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.868 0.288 -2.830 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.527 -0.134 -3.558 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.945 0.538 -2.048 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.003 2.835 -5.472 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.066 2.114 -4.241 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.989 1.075 -5.205 1.00 0.00 H new ATOM 932 N ARG A 61 9.905 -2.651 -3.291 1.00 0.00 N ATOM 933 CA ARG A 61 9.773 -3.673 -4.336 1.00 0.00 C ATOM 934 C ARG A 61 9.491 -5.027 -3.746 1.00 0.00 C ATOM 935 O ARG A 61 8.635 -5.742 -4.260 1.00 0.00 O ATOM 936 CB ARG A 61 10.937 -3.725 -5.349 1.00 0.00 C ATOM 937 CG ARG A 61 10.910 -2.622 -6.407 1.00 0.00 C ATOM 938 CD ARG A 61 11.200 -1.272 -5.814 1.00 0.00 C ATOM 939 NE ARG A 61 11.056 -0.184 -6.773 1.00 0.00 N ATOM 940 CZ ARG A 61 11.938 0.794 -6.974 1.00 0.00 C ATOM 941 NH1 ARG A 61 13.136 0.761 -6.403 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 11.606 1.783 -7.761 1.00 0.00 N ATOM 0 H ARG A 61 10.850 -2.289 -3.161 1.00 0.00 H new ATOM 0 HA ARG A 61 8.911 -3.361 -4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.879 -3.664 -4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.921 -4.692 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.644 -2.844 -7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.933 -2.605 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.528 -1.099 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.215 -1.267 -5.417 1.00 0.00 H new ATOM 0 HE ARG A 61 10.207 -0.170 -7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.392 -0.021 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.800 1.518 -6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.688 1.795 -8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.265 2.543 -7.930 1.00 0.00 H new ATOM 956 N ASP A 62 10.156 -5.349 -2.616 1.00 0.00 N ATOM 957 CA ASP A 62 9.883 -6.620 -1.883 1.00 0.00 C ATOM 958 C ASP A 62 8.393 -6.710 -1.585 1.00 0.00 C ATOM 959 O ASP A 62 7.769 -7.769 -1.699 1.00 0.00 O ATOM 960 CB ASP A 62 10.609 -6.687 -0.519 1.00 0.00 C ATOM 961 CG ASP A 62 12.107 -6.558 -0.574 1.00 0.00 C ATOM 962 OD1 ASP A 62 12.829 -7.565 -0.704 1.00 0.00 O1- ATOM 963 OD2 ASP A 62 12.617 -5.438 -0.428 1.00 0.00 O ATOM 0 H ASP A 62 10.875 -4.763 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 62 10.237 -7.432 -2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.217 -5.896 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.361 -7.635 -0.042 1.00 0.00 H new ATOM 968 N ALA A 63 7.823 -5.564 -1.248 1.00 0.00 N ATOM 969 CA ALA A 63 6.432 -5.453 -0.890 1.00 0.00 C ATOM 970 C ALA A 63 5.543 -5.662 -2.104 1.00 0.00 C ATOM 971 O ALA A 63 4.524 -6.324 -2.022 1.00 0.00 O ATOM 972 CB ALA A 63 6.178 -4.094 -0.289 1.00 0.00 C ATOM 0 H ALA A 63 8.327 -4.677 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 63 6.194 -6.226 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.126 -4.007 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.794 -3.969 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.430 -3.322 -1.016 1.00 0.00 H new ATOM 978 N ILE A 64 5.945 -5.101 -3.222 1.00 0.00 N ATOM 979 CA ILE A 64 5.191 -5.207 -4.461 1.00 0.00 C ATOM 980 C ILE A 64 5.190 -6.649 -4.953 1.00 0.00 C ATOM 981 O ILE A 64 4.133 -7.272 -5.095 1.00 0.00 O ATOM 982 CB ILE A 64 5.797 -4.286 -5.564 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.775 -2.828 -5.104 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.032 -4.436 -6.885 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.570 -1.888 -5.979 1.00 0.00 C ATOM 0 H ILE A 64 6.804 -4.557 -3.303 1.00 0.00 H new ATOM 0 HA ILE A 64 4.168 -4.888 -4.260 1.00 0.00 H new ATOM 0 HB ILE A 64 6.830 -4.590 -5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.741 -2.486 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.163 -2.774 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.474 -3.783 -7.638 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.089 -5.471 -7.223 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.988 -4.161 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.501 -0.875 -5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.614 -2.201 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.170 -1.908 -6.993 1.00 0.00 H new ATOM 997 N GLU A 65 6.374 -7.183 -5.126 1.00 0.00 N ATOM 998 CA GLU A 65 6.576 -8.499 -5.678 1.00 0.00 C ATOM 999 C GLU A 65 6.078 -9.610 -4.739 1.00 0.00 C ATOM 1000 O GLU A 65 5.715 -10.690 -5.188 1.00 0.00 O ATOM 1001 CB GLU A 65 8.055 -8.657 -6.019 1.00 0.00 C ATOM 1002 CG GLU A 65 8.528 -7.645 -7.066 1.00 0.00 C ATOM 1003 CD GLU A 65 10.023 -7.665 -7.305 1.00 0.00 C ATOM 1004 OE1 GLU A 65 10.503 -8.585 -7.991 1.00 0.00 O ATOM 1005 OE2 GLU A 65 10.709 -6.729 -6.835 1.00 0.00 O1- ATOM 0 H GLU A 65 7.241 -6.705 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 65 5.981 -8.601 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.648 -8.540 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.233 -9.667 -6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.016 -7.845 -8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.234 -6.644 -6.749 1.00 0.00 H new ATOM 1012 N GLY A 66 6.031 -9.326 -3.448 1.00 0.00 N ATOM 1013 CA GLY A 66 5.581 -10.320 -2.496 1.00 0.00 C ATOM 1014 C GLY A 66 4.117 -10.182 -2.088 1.00 0.00 C ATOM 1015 O GLY A 66 3.615 -10.998 -1.332 1.00 0.00 O ATOM 0 H GLY A 66 6.295 -8.428 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.735 -11.311 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.202 -10.258 -1.603 1.00 0.00 H new ATOM 1019 N MET A 67 3.443 -9.138 -2.546 1.00 0.00 N ATOM 1020 CA MET A 67 2.024 -8.934 -2.193 1.00 0.00 C ATOM 1021 C MET A 67 1.086 -8.883 -3.386 1.00 0.00 C ATOM 1022 O MET A 67 -0.102 -9.168 -3.247 1.00 0.00 O ATOM 1023 CB MET A 67 1.828 -7.699 -1.310 1.00 0.00 C ATOM 1024 CG MET A 67 2.001 -7.951 0.178 1.00 0.00 C ATOM 1025 SD MET A 67 0.600 -8.857 0.878 1.00 0.00 S ATOM 1026 CE MET A 67 1.129 -9.069 2.571 1.00 0.00 C ATOM 0 H MET A 67 3.838 -8.422 -3.155 1.00 0.00 H new ATOM 0 HA MET A 67 1.751 -9.824 -1.625 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.537 -6.931 -1.620 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.829 -7.299 -1.484 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.918 -8.515 0.346 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.113 -6.999 0.697 1.00 0.00 H new ATOM 0 HE1 MET A 67 0.268 -9.313 3.193 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.858 -9.878 2.626 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.585 -8.145 2.928 1.00 0.00 H new ATOM 1036 N ASN A 68 1.593 -8.521 -4.544 1.00 0.00 N ATOM 1037 CA ASN A 68 0.737 -8.371 -5.723 1.00 0.00 C ATOM 1038 C ASN A 68 0.183 -9.716 -6.174 1.00 0.00 C ATOM 1039 O ASN A 68 0.936 -10.605 -6.556 1.00 0.00 O ATOM 1040 CB ASN A 68 1.505 -7.738 -6.888 1.00 0.00 C ATOM 1041 CG ASN A 68 0.612 -7.435 -8.085 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.558 -7.097 -7.932 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.147 -7.566 -9.274 1.00 0.00 N ATOM 0 H ASN A 68 2.581 -8.325 -4.704 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.087 -7.718 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.976 -6.816 -6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.306 -8.410 -7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.588 -7.385 -10.108 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.123 -7.849 -9.366 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.122 -9.861 -6.115 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.745 -11.066 -6.585 1.00 0.00 C ATOM 1052 C GLY A 69 -2.340 -11.906 -5.480 1.00 0.00 C ATOM 1053 O GLY A 69 -3.281 -12.671 -5.719 1.00 0.00 O ATOM 0 H GLY A 69 -1.765 -9.160 -5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.529 -10.807 -7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.008 -11.660 -7.126 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.837 -11.769 -4.276 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.339 -12.586 -3.188 1.00 0.00 C ATOM 1059 C GLN A 70 -3.529 -11.956 -2.487 1.00 0.00 C ATOM 1060 O GLN A 70 -3.906 -10.819 -2.787 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.242 -13.032 -2.222 1.00 0.00 C ATOM 1062 CG GLN A 70 -0.406 -11.933 -1.617 1.00 0.00 C ATOM 1063 CD GLN A 70 0.674 -12.501 -0.724 1.00 0.00 C ATOM 1064 OE1 GLN A 70 1.153 -13.608 -0.934 1.00 0.00 O ATOM 1065 NE2 GLN A 70 1.064 -11.764 0.261 1.00 0.00 N ATOM 0 H GLN A 70 -1.096 -11.115 -4.024 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.713 -13.502 -3.646 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.706 -13.596 -1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.578 -13.718 -2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.048 -11.339 -2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.043 -11.262 -1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.644 -10.846 0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.792 -12.099 0.892 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.116 -12.695 -1.575 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.355 -12.287 -0.932 1.00 0.00 C ATOM 1076 C ASP A 71 -5.105 -11.458 0.299 1.00 0.00 C ATOM 1077 O ASP A 71 -4.148 -11.693 1.051 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.203 -13.510 -0.537 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.579 -13.126 0.018 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.697 -12.772 1.226 1.00 0.00 O1- ATOM 1081 OD2 ASP A 71 -8.536 -13.155 -0.748 1.00 0.00 O ATOM 0 H ASP A 71 -3.754 -13.593 -1.255 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.894 -11.683 -1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.334 -14.152 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.665 -14.093 0.210 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.931 -10.476 0.460 1.00 0.00 N ATOM 1087 CA LEU A 72 -6.002 -9.685 1.625 1.00 0.00 C ATOM 1088 C LEU A 72 -7.453 -9.290 1.813 1.00 0.00 C ATOM 1089 O LEU A 72 -8.006 -8.548 0.994 1.00 0.00 O ATOM 1090 CB LEU A 72 -5.102 -8.441 1.530 1.00 0.00 C ATOM 1091 CG LEU A 72 -5.109 -7.499 2.749 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -4.643 -8.224 4.005 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -4.243 -6.275 2.487 1.00 0.00 C ATOM 0 H LEU A 72 -6.602 -10.198 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.641 -10.255 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.078 -8.772 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.402 -7.868 0.653 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.135 -7.169 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.658 -7.535 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.309 -9.063 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.628 -8.594 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.262 -5.623 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.218 -6.590 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.628 -5.735 1.622 1.00 0.00 H new ATOM 1105 N ASP A 73 -8.067 -9.861 2.846 1.00 0.00 N ATOM 1106 CA ASP A 73 -9.462 -9.565 3.264 1.00 0.00 C ATOM 1107 C ASP A 73 -10.496 -10.082 2.216 1.00 0.00 C ATOM 1108 O ASP A 73 -11.624 -9.611 2.130 1.00 0.00 O ATOM 1109 CB ASP A 73 -9.594 -8.025 3.550 1.00 0.00 C ATOM 1110 CG ASP A 73 -10.950 -7.546 4.082 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -11.390 -8.038 5.124 1.00 0.00 O1- ATOM 1112 OD2 ASP A 73 -11.549 -6.604 3.458 1.00 0.00 O ATOM 0 H ASP A 73 -7.613 -10.558 3.436 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.691 -10.101 4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.825 -7.744 4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.379 -7.486 2.627 1.00 0.00 H new ATOM 1117 N GLY A 74 -10.119 -11.128 1.475 1.00 0.00 N ATOM 1118 CA GLY A 74 -11.046 -11.720 0.518 1.00 0.00 C ATOM 1119 C GLY A 74 -10.915 -11.128 -0.867 1.00 0.00 C ATOM 1120 O GLY A 74 -11.818 -11.255 -1.711 1.00 0.00 O ATOM 0 H GLY A 74 -9.201 -11.570 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.871 -12.795 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.067 -11.580 0.873 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.833 -10.446 -1.090 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.547 -9.858 -2.361 1.00 0.00 C ATOM 1126 C ARG A 75 -8.080 -10.023 -2.717 1.00 0.00 C ATOM 1127 O ARG A 75 -7.212 -9.876 -1.871 1.00 0.00 O ATOM 1128 CB ARG A 75 -9.928 -8.376 -2.364 1.00 0.00 C ATOM 1129 CG ARG A 75 -9.376 -7.587 -3.537 1.00 0.00 C ATOM 1130 CD ARG A 75 -9.956 -7.952 -4.890 1.00 0.00 C ATOM 1131 NE ARG A 75 -9.088 -7.405 -5.955 1.00 0.00 N ATOM 1132 CZ ARG A 75 -9.458 -6.944 -7.149 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -10.752 -6.902 -7.491 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -8.515 -6.510 -8.005 1.00 0.00 N ATOM 0 H ARG A 75 -9.115 -10.281 -0.384 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.143 -10.375 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.015 -8.293 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.575 -7.921 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.554 -6.527 -3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.296 -7.727 -3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.031 -9.035 -4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.966 -7.552 -4.986 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.089 -7.377 -5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.464 -7.225 -6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.026 -6.547 -8.407 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.531 -6.537 -7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.784 -6.154 -8.922 1.00 0.00 H new ATOM 1148 N ASN A 76 -7.824 -10.298 -3.975 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.467 -10.355 -4.496 1.00 0.00 C ATOM 1150 C ASN A 76 -6.022 -8.943 -4.705 1.00 0.00 C ATOM 1151 O ASN A 76 -6.527 -8.238 -5.603 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.401 -11.110 -5.835 1.00 0.00 C ATOM 1153 CG ASN A 76 -6.878 -12.541 -5.746 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -8.061 -12.815 -5.907 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -5.970 -13.462 -5.540 1.00 0.00 N ATOM 0 H ASN A 76 -8.546 -10.489 -4.670 1.00 0.00 H new ATOM 0 HA ASN A 76 -5.827 -10.887 -3.792 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.004 -10.580 -6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.373 -11.100 -6.198 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.239 -14.445 -5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.994 -13.196 -5.410 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.140 -8.509 -3.883 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.684 -7.157 -3.918 1.00 0.00 C ATOM 1164 C ILE A 77 -3.711 -6.929 -5.048 1.00 0.00 C ATOM 1165 O ILE A 77 -2.890 -7.796 -5.377 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.071 -6.716 -2.582 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.032 -7.741 -2.105 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.175 -6.537 -1.550 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.175 -7.263 -0.963 1.00 0.00 C ATOM 0 H ILE A 77 -4.706 -9.081 -3.158 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.564 -6.539 -4.095 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.561 -5.762 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.549 -8.651 -1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.387 -8.005 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.739 -6.224 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.876 -5.777 -1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.702 -7.481 -1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.468 -8.045 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.628 -6.371 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.808 -7.027 -0.107 1.00 0.00 H new ATOM 1181 N THR A 78 -3.824 -5.797 -5.658 1.00 0.00 N ATOM 1182 CA THR A 78 -2.990 -5.449 -6.747 1.00 0.00 C ATOM 1183 C THR A 78 -2.028 -4.356 -6.287 1.00 0.00 C ATOM 1184 O THR A 78 -2.433 -3.235 -5.961 1.00 0.00 O ATOM 1185 CB THR A 78 -3.868 -4.962 -7.916 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.915 -5.940 -8.133 1.00 0.00 O ATOM 1187 CG2 THR A 78 -3.046 -4.813 -9.192 1.00 0.00 C ATOM 0 H THR A 78 -4.508 -5.083 -5.408 1.00 0.00 H new ATOM 0 HA THR A 78 -2.412 -6.308 -7.088 1.00 0.00 H new ATOM 0 HB THR A 78 -4.289 -3.988 -7.668 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.487 -5.648 -8.873 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.690 -4.468 -10.001 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.249 -4.088 -9.029 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.611 -5.776 -9.459 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.774 -4.682 -6.260 1.00 0.00 N ATOM 1196 CA VAL A 79 0.242 -3.785 -5.764 1.00 0.00 C ATOM 1197 C VAL A 79 1.166 -3.448 -6.909 1.00 0.00 C ATOM 1198 O VAL A 79 1.572 -4.339 -7.653 1.00 0.00 O ATOM 1199 CB VAL A 79 1.064 -4.448 -4.613 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.035 -3.460 -3.989 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.151 -5.049 -3.549 1.00 0.00 C ATOM 0 H VAL A 79 -0.416 -5.581 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.232 -2.888 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 79 1.643 -5.259 -5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.592 -3.952 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.729 -3.103 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.481 -2.616 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.756 -5.502 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.473 -4.265 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.484 -5.810 -4.002 1.00 0.00 H new ATOM 1211 N ASN A 80 1.472 -2.190 -7.085 1.00 0.00 N ATOM 1212 CA ASN A 80 2.337 -1.794 -8.173 1.00 0.00 C ATOM 1213 C ASN A 80 3.222 -0.624 -7.801 1.00 0.00 C ATOM 1214 O ASN A 80 3.080 -0.017 -6.723 1.00 0.00 O ATOM 1215 CB ASN A 80 1.558 -1.515 -9.484 1.00 0.00 C ATOM 1216 CG ASN A 80 0.550 -0.383 -9.393 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.870 0.768 -9.626 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.677 -0.709 -9.082 1.00 0.00 N ATOM 0 H ASN A 80 1.141 -1.425 -6.497 1.00 0.00 H new ATOM 0 HA ASN A 80 2.986 -2.648 -8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.273 -1.284 -10.274 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.037 -2.425 -9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.398 0.011 -9.029 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.913 -1.683 -8.892 1.00 0.00 H new ATOM 1225 N GLU A 81 4.133 -0.333 -8.693 1.00 0.00 N ATOM 1226 CA GLU A 81 5.112 0.684 -8.546 1.00 0.00 C ATOM 1227 C GLU A 81 4.467 2.046 -8.697 1.00 0.00 C ATOM 1228 O GLU A 81 3.702 2.279 -9.624 1.00 0.00 O ATOM 1229 CB GLU A 81 6.192 0.452 -9.623 1.00 0.00 C ATOM 1230 CG GLU A 81 7.291 1.484 -9.679 1.00 0.00 C ATOM 1231 CD GLU A 81 8.018 1.604 -8.386 1.00 0.00 C ATOM 1232 OE1 GLU A 81 7.547 2.357 -7.529 1.00 0.00 O ATOM 1233 OE2 GLU A 81 9.070 0.977 -8.232 1.00 0.00 O1- ATOM 0 H GLU A 81 4.206 -0.830 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 81 5.568 0.649 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.644 -0.525 -9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.705 0.413 -10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.996 1.219 -10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.865 2.451 -9.945 1.00 0.00 H new ATOM 1240 N ALA A 82 4.783 2.932 -7.803 1.00 0.00 N ATOM 1241 CA ALA A 82 4.238 4.254 -7.850 1.00 0.00 C ATOM 1242 C ALA A 82 5.313 5.248 -8.263 1.00 0.00 C ATOM 1243 O ALA A 82 5.002 6.376 -8.671 1.00 0.00 O ATOM 1244 CB ALA A 82 3.588 4.636 -6.526 1.00 0.00 C ATOM 0 H ALA A 82 5.421 2.761 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 82 3.449 4.278 -8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.184 5.646 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.781 3.938 -6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.332 4.598 -5.731 1.00 0.00 H new