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 18 THR OG1 : rot 180:sc= 1.13 USER MOD Set 1.2: A 21 THR OG1 : rot 95:sc= 1.12 USER MOD Single : A 6 TYR OH : rot -132:sc= 1.24 USER MOD Single : A 8 CYS SG : rot -39:sc= -2.39! USER MOD Single : A 17 THR OG1 : rot 17:sc= -1.28! USER MOD Single : A 20 GLN : amide:sc= 1.11 K(o=1.1,f=-0.087) USER MOD Single : A 27 SER OG : rot 56:sc= 1.25 USER MOD Single : A 28 GLN : amide:sc= -0.0333 X(o=-0.033,f=-0.45) USER MOD Single : A 35 SER OG : rot 33:sc= 0.676 USER MOD Single : A 36 LYS NZ :NH3+ -112:sc= 0.35 (180deg=-1.28!) USER MOD Single : A 39 ASN : amide:sc=0.000814 K(o=0.00081,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 82:sc= -0.151 USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= -0.956! (180deg=-1.02!) USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= 0.74 (180deg=-1.58!) USER MOD Single : A 60 MET CE :methyl -124:sc= -1.61 (180deg=-2.43) USER MOD Single : A 67 MET CE :methyl -149:sc= -0.398 (180deg=-0.646) USER MOD Single : A 68 ASN : amide:sc= 1.2 K(o=1.2,f=-2.3) USER MOD Single : A 70 GLN : amide:sc= -1.18! C(o=-1.2!,f=-1.6!) USER MOD Single : A 76 ASN : amide:sc= 0.625 K(o=0.63,f=-6.6!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.66! C(o=-1.7!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 68 N GLU A 5 10.693 8.880 0.774 1.00 0.00 N ATOM 69 CA GLU A 5 9.530 8.046 0.849 1.00 0.00 C ATOM 70 C GLU A 5 9.424 7.167 -0.381 1.00 0.00 C ATOM 71 O GLU A 5 9.646 7.615 -1.509 1.00 0.00 O ATOM 72 CB GLU A 5 8.241 8.868 0.984 1.00 0.00 C ATOM 73 CG GLU A 5 7.996 9.853 -0.151 1.00 0.00 C ATOM 74 CD GLU A 5 6.537 10.197 -0.302 1.00 0.00 C ATOM 75 OE1 GLU A 5 6.005 10.936 0.519 1.00 0.00 O1- ATOM 76 OE2 GLU A 5 5.892 9.685 -1.248 1.00 0.00 O ATOM 0 HA GLU A 5 9.643 7.429 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.394 8.184 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.273 9.418 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.565 10.764 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.366 9.428 -1.084 1.00 0.00 H new ATOM 83 N TYR A 6 9.129 5.933 -0.170 1.00 0.00 N ATOM 84 CA TYR A 6 8.827 5.051 -1.229 1.00 0.00 C ATOM 85 C TYR A 6 7.448 4.530 -1.088 1.00 0.00 C ATOM 86 O TYR A 6 7.175 3.540 -0.417 1.00 0.00 O ATOM 87 CB TYR A 6 9.864 3.985 -1.449 1.00 0.00 C ATOM 88 CG TYR A 6 10.959 4.470 -2.347 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.689 4.716 -3.689 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.249 4.663 -1.889 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.676 5.133 -4.548 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.244 5.093 -2.746 1.00 0.00 C ATOM 93 CZ TYR A 6 12.950 5.322 -4.074 1.00 0.00 C ATOM 94 OH TYR A 6 13.940 5.706 -4.936 1.00 0.00 O ATOM 0 H TYR A 6 9.092 5.507 0.756 1.00 0.00 H new ATOM 0 HA TYR A 6 8.863 5.627 -2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.285 3.680 -0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.396 3.103 -1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.685 4.577 -4.062 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.481 4.476 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.451 5.311 -5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.247 5.249 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 6 14.728 5.138 -4.803 1.00 0.00 H new ATOM 104 N ARG A 7 6.582 5.257 -1.682 1.00 0.00 N ATOM 105 CA ARG A 7 5.187 5.054 -1.604 1.00 0.00 C ATOM 106 C ARG A 7 4.754 4.039 -2.654 1.00 0.00 C ATOM 107 O ARG A 7 5.092 4.168 -3.826 1.00 0.00 O ATOM 108 CB ARG A 7 4.558 6.424 -1.832 1.00 0.00 C ATOM 109 CG ARG A 7 3.073 6.542 -1.546 1.00 0.00 C ATOM 110 CD ARG A 7 2.630 8.016 -1.559 1.00 0.00 C ATOM 111 NE ARG A 7 3.395 8.823 -0.584 1.00 0.00 N ATOM 112 CZ ARG A 7 3.088 8.970 0.719 1.00 0.00 C ATOM 113 NH1 ARG A 7 1.960 8.460 1.207 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 3.889 9.652 1.517 1.00 0.00 N ATOM 0 H ARG A 7 6.840 6.052 -2.267 1.00 0.00 H new ATOM 0 HA ARG A 7 4.874 4.649 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.084 7.149 -1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.730 6.710 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.509 5.981 -2.291 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.848 6.098 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.765 8.428 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.566 8.079 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 7 4.224 9.309 -0.927 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.322 7.954 0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.734 8.575 2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.743 10.069 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.654 9.762 2.503 1.00 0.00 H new ATOM 128 N CYS A 8 4.081 3.009 -2.229 1.00 0.00 N ATOM 129 CA CYS A 8 3.552 2.029 -3.141 1.00 0.00 C ATOM 130 C CYS A 8 2.050 2.154 -3.167 1.00 0.00 C ATOM 131 O CYS A 8 1.440 2.449 -2.146 1.00 0.00 O ATOM 132 CB CYS A 8 3.998 0.604 -2.769 1.00 0.00 C ATOM 133 SG CYS A 8 3.523 0.041 -1.126 1.00 0.00 S ATOM 0 H CYS A 8 3.883 2.823 -1.246 1.00 0.00 H new ATOM 0 HA CYS A 8 3.947 2.218 -4.139 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.587 -0.089 -3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.083 0.550 -2.852 1.00 0.00 H new ATOM 0 HG CYS A 8 3.631 1.024 -0.282 1.00 0.00 H new ATOM 139 N PHE A 9 1.479 1.966 -4.311 1.00 0.00 N ATOM 140 CA PHE A 9 0.066 2.105 -4.517 1.00 0.00 C ATOM 141 C PHE A 9 -0.550 0.729 -4.409 1.00 0.00 C ATOM 142 O PHE A 9 -0.039 -0.227 -5.002 1.00 0.00 O ATOM 143 CB PHE A 9 -0.169 2.687 -5.925 1.00 0.00 C ATOM 144 CG PHE A 9 -1.602 2.951 -6.304 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.179 4.179 -6.050 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.359 1.980 -6.941 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.480 4.435 -6.420 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.662 2.226 -7.309 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.225 3.456 -7.050 1.00 0.00 C ATOM 0 H PHE A 9 1.991 1.705 -5.153 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.383 2.770 -3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.385 3.622 -6.006 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.258 2.000 -6.656 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.603 4.947 -5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.920 1.016 -7.152 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.919 5.401 -6.218 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.241 1.457 -7.799 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.247 3.655 -7.339 1.00 0.00 H new ATOM 159 N VAL A 10 -1.590 0.605 -3.631 1.00 0.00 N ATOM 160 CA VAL A 10 -2.262 -0.654 -3.492 1.00 0.00 C ATOM 161 C VAL A 10 -3.725 -0.448 -3.831 1.00 0.00 C ATOM 162 O VAL A 10 -4.447 0.242 -3.112 1.00 0.00 O ATOM 163 CB VAL A 10 -2.147 -1.226 -2.046 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.762 -2.615 -1.965 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.699 -1.254 -1.567 1.00 0.00 C ATOM 0 H VAL A 10 -1.991 1.365 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.793 -1.372 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.703 -0.560 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.671 -2.995 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.816 -2.563 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.241 -3.284 -2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.658 -1.659 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.107 -1.882 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.295 -0.241 -1.569 1.00 0.00 H new ATOM 175 N GLY A 11 -4.150 -1.042 -4.897 1.00 0.00 N ATOM 176 CA GLY A 11 -5.502 -0.918 -5.333 1.00 0.00 C ATOM 177 C GLY A 11 -6.195 -2.240 -5.348 1.00 0.00 C ATOM 178 O GLY A 11 -5.560 -3.274 -5.569 1.00 0.00 O ATOM 0 H GLY A 11 -3.567 -1.630 -5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.036 -0.233 -4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.525 -0.483 -6.332 1.00 0.00 H new ATOM 182 N GLY A 12 -7.481 -2.222 -5.098 1.00 0.00 N ATOM 183 CA GLY A 12 -8.236 -3.439 -5.091 1.00 0.00 C ATOM 184 C GLY A 12 -8.171 -4.087 -3.744 1.00 0.00 C ATOM 185 O GLY A 12 -7.829 -5.246 -3.628 1.00 0.00 O ATOM 0 H GLY A 12 -8.020 -1.379 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.274 -3.232 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.847 -4.120 -5.848 1.00 0.00 H new ATOM 189 N LEU A 13 -8.485 -3.318 -2.731 1.00 0.00 N ATOM 190 CA LEU A 13 -8.451 -3.791 -1.369 1.00 0.00 C ATOM 191 C LEU A 13 -9.693 -4.566 -1.008 1.00 0.00 C ATOM 192 O LEU A 13 -10.666 -4.610 -1.782 1.00 0.00 O ATOM 193 CB LEU A 13 -8.201 -2.645 -0.404 1.00 0.00 C ATOM 194 CG LEU A 13 -6.817 -2.018 -0.501 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.724 -0.815 0.396 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.755 -3.030 -0.113 1.00 0.00 C ATOM 0 H LEU A 13 -8.772 -2.344 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.616 -4.486 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.948 -1.871 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.350 -3.006 0.613 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.651 -1.705 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.729 -0.377 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.469 -0.079 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.906 -1.116 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.770 -2.570 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.925 -3.362 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.806 -3.887 -0.785 1.00 0.00 H new ATOM 208 N ALA A 14 -9.665 -5.161 0.157 1.00 0.00 N ATOM 209 CA ALA A 14 -10.689 -6.058 0.571 1.00 0.00 C ATOM 210 C ALA A 14 -11.778 -5.431 1.405 1.00 0.00 C ATOM 211 O ALA A 14 -11.883 -4.207 1.528 1.00 0.00 O ATOM 212 CB ALA A 14 -10.083 -7.238 1.251 1.00 0.00 C ATOM 0 H ALA A 14 -8.922 -5.029 0.843 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.200 -6.380 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.872 -7.921 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.413 -7.751 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.521 -6.906 2.124 1.00 0.00 H new ATOM 218 N TRP A 15 -12.554 -6.301 1.982 1.00 0.00 N ATOM 219 CA TRP A 15 -13.796 -5.994 2.631 1.00 0.00 C ATOM 220 C TRP A 15 -13.582 -5.399 4.016 1.00 0.00 C ATOM 221 O TRP A 15 -14.374 -4.570 4.469 1.00 0.00 O ATOM 222 CB TRP A 15 -14.614 -7.294 2.729 1.00 0.00 C ATOM 223 CG TRP A 15 -14.555 -8.121 1.459 1.00 0.00 C ATOM 224 CD1 TRP A 15 -13.712 -9.177 1.211 1.00 0.00 C ATOM 225 CD2 TRP A 15 -15.330 -7.948 0.264 1.00 0.00 C ATOM 226 NE1 TRP A 15 -13.915 -9.659 -0.060 1.00 0.00 N ATOM 227 CE2 TRP A 15 -14.905 -8.932 -0.658 1.00 0.00 C ATOM 228 CE3 TRP A 15 -16.343 -7.063 -0.117 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -15.456 -9.048 -1.930 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -16.890 -7.182 -1.381 1.00 0.00 C ATOM 231 CH2 TRP A 15 -16.445 -8.169 -2.273 1.00 0.00 C ATOM 0 H TRP A 15 -12.326 -7.295 2.015 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.329 -5.244 2.046 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -14.243 -7.890 3.563 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.653 -7.049 2.950 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -12.993 -9.572 1.914 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -13.408 -10.434 -0.488 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -16.692 -6.300 0.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -15.115 -9.805 -2.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.673 -6.504 -1.687 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -16.894 -8.236 -3.253 1.00 0.00 H new ATOM 242 N ALA A 16 -12.532 -5.814 4.684 1.00 0.00 N ATOM 243 CA ALA A 16 -12.282 -5.363 6.047 1.00 0.00 C ATOM 244 C ALA A 16 -10.896 -4.754 6.195 1.00 0.00 C ATOM 245 O ALA A 16 -10.458 -4.420 7.310 1.00 0.00 O ATOM 246 CB ALA A 16 -12.467 -6.518 7.025 1.00 0.00 C ATOM 0 H ALA A 16 -11.835 -6.461 4.314 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.006 -4.582 6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.278 -6.169 8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.488 -6.894 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.768 -7.318 6.780 1.00 0.00 H new ATOM 252 N THR A 17 -10.220 -4.574 5.090 1.00 0.00 N ATOM 253 CA THR A 17 -8.884 -4.059 5.115 1.00 0.00 C ATOM 254 C THR A 17 -8.876 -2.555 5.443 1.00 0.00 C ATOM 255 O THR A 17 -9.416 -1.736 4.697 1.00 0.00 O ATOM 256 CB THR A 17 -8.204 -4.289 3.752 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.324 -5.665 3.379 1.00 0.00 O ATOM 258 CG2 THR A 17 -6.721 -3.923 3.813 1.00 0.00 C ATOM 0 H THR A 17 -10.580 -4.779 4.158 1.00 0.00 H new ATOM 0 HA THR A 17 -8.334 -4.588 5.894 1.00 0.00 H new ATOM 0 HB THR A 17 -8.697 -3.654 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.022 -6.091 3.919 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.264 -4.094 2.839 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.616 -2.872 4.083 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.224 -4.541 4.561 1.00 0.00 H new ATOM 266 N THR A 18 -8.261 -2.205 6.550 1.00 0.00 N ATOM 267 CA THR A 18 -8.114 -0.821 6.916 1.00 0.00 C ATOM 268 C THR A 18 -6.680 -0.419 6.632 1.00 0.00 C ATOM 269 O THR A 18 -5.868 -1.271 6.254 1.00 0.00 O ATOM 270 CB THR A 18 -8.417 -0.589 8.420 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.482 -1.314 9.232 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.838 -1.017 8.770 1.00 0.00 C ATOM 0 H THR A 18 -7.854 -2.865 7.213 1.00 0.00 H new ATOM 0 HA THR A 18 -8.821 -0.224 6.340 1.00 0.00 H new ATOM 0 HB THR A 18 -8.320 0.478 8.618 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.682 -1.159 10.179 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.020 -0.842 9.830 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.548 -0.438 8.180 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.963 -2.077 8.550 1.00 0.00 H new ATOM 280 N ASP A 19 -6.350 0.843 6.817 1.00 0.00 N ATOM 281 CA ASP A 19 -4.979 1.297 6.609 1.00 0.00 C ATOM 282 C ASP A 19 -4.042 0.815 7.661 1.00 0.00 C ATOM 283 O ASP A 19 -2.833 0.734 7.436 1.00 0.00 O ATOM 284 CB ASP A 19 -4.837 2.787 6.337 1.00 0.00 C ATOM 285 CG ASP A 19 -5.703 3.710 7.158 1.00 0.00 C ATOM 286 OD1 ASP A 19 -5.413 3.988 8.319 1.00 0.00 O ATOM 287 OD2 ASP A 19 -6.673 4.264 6.600 1.00 0.00 O1- ATOM 0 H ASP A 19 -7.002 1.571 7.108 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.677 0.818 5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.795 3.065 6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.055 2.963 5.284 1.00 0.00 H new ATOM 292 N GLN A 20 -4.597 0.443 8.788 1.00 0.00 N ATOM 293 CA GLN A 20 -3.817 -0.168 9.832 1.00 0.00 C ATOM 294 C GLN A 20 -3.358 -1.508 9.300 1.00 0.00 C ATOM 295 O GLN A 20 -2.169 -1.780 9.205 1.00 0.00 O ATOM 296 CB GLN A 20 -4.654 -0.421 11.079 1.00 0.00 C ATOM 297 CG GLN A 20 -3.838 -0.987 12.231 1.00 0.00 C ATOM 298 CD GLN A 20 -4.687 -1.650 13.280 1.00 0.00 C ATOM 299 OE1 GLN A 20 -5.169 -1.011 14.211 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.827 -2.944 13.170 1.00 0.00 N ATOM 0 H GLN A 20 -5.588 0.553 9.005 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.991 0.490 10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.120 0.513 11.394 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.460 -1.113 10.836 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.121 -1.710 11.841 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.263 -0.184 12.691 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.410 -3.437 12.380 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.353 -3.462 13.874 1.00 0.00 H new ATOM 309 N THR A 21 -4.343 -2.296 8.877 1.00 0.00 N ATOM 310 CA THR A 21 -4.163 -3.603 8.360 1.00 0.00 C ATOM 311 C THR A 21 -3.269 -3.600 7.111 1.00 0.00 C ATOM 312 O THR A 21 -2.463 -4.505 6.899 1.00 0.00 O ATOM 313 CB THR A 21 -5.538 -4.145 8.025 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.426 -3.767 9.093 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.495 -5.625 7.970 1.00 0.00 C ATOM 0 H THR A 21 -5.321 -2.007 8.896 1.00 0.00 H new ATOM 0 HA THR A 21 -3.663 -4.229 9.099 1.00 0.00 H new ATOM 0 HB THR A 21 -5.870 -3.752 7.064 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.889 -2.937 8.855 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.486 -6.009 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.787 -5.940 7.203 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.180 -6.016 8.937 1.00 0.00 H new ATOM 323 N LEU A 22 -3.414 -2.568 6.308 1.00 0.00 N ATOM 324 CA LEU A 22 -2.624 -2.404 5.119 1.00 0.00 C ATOM 325 C LEU A 22 -1.158 -2.194 5.516 1.00 0.00 C ATOM 326 O LEU A 22 -0.266 -2.900 5.043 1.00 0.00 O ATOM 327 CB LEU A 22 -3.160 -1.211 4.310 1.00 0.00 C ATOM 328 CG LEU A 22 -2.562 -0.987 2.922 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.830 -2.181 2.022 1.00 0.00 C ATOM 330 CD2 LEU A 22 -3.118 0.287 2.301 1.00 0.00 C ATOM 0 H LEU A 22 -4.088 -1.819 6.467 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.688 -3.295 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.237 -1.334 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.002 -0.306 4.897 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.483 -0.876 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.396 -2.000 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.381 -3.073 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.906 -2.327 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.681 0.431 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.201 0.205 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.870 1.139 2.935 1.00 0.00 H new ATOM 342 N GLY A 23 -0.938 -1.271 6.437 1.00 0.00 N ATOM 343 CA GLY A 23 0.392 -0.977 6.904 1.00 0.00 C ATOM 344 C GLY A 23 1.041 -2.148 7.630 1.00 0.00 C ATOM 345 O GLY A 23 2.187 -2.499 7.332 1.00 0.00 O ATOM 0 H GLY A 23 -1.672 -0.714 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.014 -0.693 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.354 -0.118 7.573 1.00 0.00 H new ATOM 349 N GLU A 24 0.301 -2.777 8.544 1.00 0.00 N ATOM 350 CA GLU A 24 0.826 -3.876 9.360 1.00 0.00 C ATOM 351 C GLU A 24 1.228 -5.079 8.490 1.00 0.00 C ATOM 352 O GLU A 24 2.257 -5.711 8.730 1.00 0.00 O ATOM 353 CB GLU A 24 -0.173 -4.274 10.480 1.00 0.00 C ATOM 354 CG GLU A 24 -1.480 -4.860 9.989 1.00 0.00 C ATOM 355 CD GLU A 24 -2.512 -5.070 11.094 1.00 0.00 C ATOM 356 OE1 GLU A 24 -2.408 -6.062 11.816 1.00 0.00 O1- ATOM 357 OE2 GLU A 24 -3.453 -4.228 11.222 1.00 0.00 O ATOM 0 H GLU A 24 -0.672 -2.542 8.740 1.00 0.00 H new ATOM 0 HA GLU A 24 1.733 -3.522 9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.309 -4.998 11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.391 -3.392 11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.902 -4.200 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.280 -5.816 9.504 1.00 0.00 H new ATOM 364 N ALA A 25 0.457 -5.338 7.437 1.00 0.00 N ATOM 365 CA ALA A 25 0.738 -6.441 6.526 1.00 0.00 C ATOM 366 C ALA A 25 2.045 -6.206 5.767 1.00 0.00 C ATOM 367 O ALA A 25 2.820 -7.131 5.527 1.00 0.00 O ATOM 368 CB ALA A 25 -0.414 -6.635 5.552 1.00 0.00 C ATOM 0 H ALA A 25 -0.371 -4.795 7.194 1.00 0.00 H new ATOM 0 HA ALA A 25 0.849 -7.349 7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.187 -7.462 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.326 -6.858 6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.556 -5.724 4.971 1.00 0.00 H new ATOM 374 N PHE A 26 2.298 -4.962 5.424 1.00 0.00 N ATOM 375 CA PHE A 26 3.506 -4.603 4.699 1.00 0.00 C ATOM 376 C PHE A 26 4.694 -4.396 5.636 1.00 0.00 C ATOM 377 O PHE A 26 5.837 -4.328 5.188 1.00 0.00 O ATOM 378 CB PHE A 26 3.290 -3.377 3.806 1.00 0.00 C ATOM 379 CG PHE A 26 2.478 -3.636 2.547 1.00 0.00 C ATOM 380 CD1 PHE A 26 1.105 -3.777 2.592 1.00 0.00 C ATOM 381 CD2 PHE A 26 3.107 -3.732 1.316 1.00 0.00 C ATOM 382 CE1 PHE A 26 0.376 -4.008 1.444 1.00 0.00 C ATOM 383 CE2 PHE A 26 2.384 -3.962 0.162 1.00 0.00 C ATOM 384 CZ PHE A 26 1.014 -4.099 0.228 1.00 0.00 C ATOM 0 H PHE A 26 1.683 -4.176 5.635 1.00 0.00 H new ATOM 0 HA PHE A 26 3.743 -5.447 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.791 -2.604 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.263 -2.980 3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.594 -3.705 3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.180 -3.625 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.697 -4.118 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.890 -4.034 -0.789 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.443 -4.277 -0.671 1.00 0.00 H new ATOM 394 N SER A 27 4.431 -4.347 6.939 1.00 0.00 N ATOM 395 CA SER A 27 5.490 -4.161 7.937 1.00 0.00 C ATOM 396 C SER A 27 6.390 -5.404 8.025 1.00 0.00 C ATOM 397 O SER A 27 7.490 -5.352 8.557 1.00 0.00 O ATOM 398 CB SER A 27 4.887 -3.835 9.304 1.00 0.00 C ATOM 399 OG SER A 27 4.092 -2.654 9.247 1.00 0.00 O ATOM 0 H SER A 27 3.494 -4.433 7.333 1.00 0.00 H new ATOM 0 HA SER A 27 6.108 -3.320 7.622 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.277 -4.672 9.644 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.685 -3.705 10.035 1.00 0.00 H new ATOM 0 HG SER A 27 3.406 -2.754 8.554 1.00 0.00 H new ATOM 405 N GLN A 28 5.909 -6.509 7.474 1.00 0.00 N ATOM 406 CA GLN A 28 6.669 -7.740 7.428 1.00 0.00 C ATOM 407 C GLN A 28 7.693 -7.669 6.276 1.00 0.00 C ATOM 408 O GLN A 28 8.632 -8.461 6.200 1.00 0.00 O ATOM 409 CB GLN A 28 5.703 -8.927 7.231 1.00 0.00 C ATOM 410 CG GLN A 28 6.373 -10.294 7.191 1.00 0.00 C ATOM 411 CD GLN A 28 7.098 -10.643 8.482 1.00 0.00 C ATOM 412 OE1 GLN A 28 6.704 -10.240 9.565 1.00 0.00 O ATOM 413 NE2 GLN A 28 8.179 -11.371 8.368 1.00 0.00 N ATOM 0 H GLN A 28 4.984 -6.573 7.049 1.00 0.00 H new ATOM 0 HA GLN A 28 7.210 -7.881 8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.971 -8.920 8.039 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.153 -8.780 6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.620 -11.055 6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.083 -10.320 6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.483 -11.693 7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.718 -11.617 9.198 1.00 0.00 H new ATOM 422 N PHE A 29 7.499 -6.707 5.398 1.00 0.00 N ATOM 423 CA PHE A 29 8.364 -6.528 4.253 1.00 0.00 C ATOM 424 C PHE A 29 9.345 -5.396 4.487 1.00 0.00 C ATOM 425 O PHE A 29 10.506 -5.491 4.111 1.00 0.00 O ATOM 426 CB PHE A 29 7.550 -6.276 2.974 1.00 0.00 C ATOM 427 CG PHE A 29 6.774 -7.472 2.484 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.577 -7.844 3.077 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.247 -8.224 1.419 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.873 -8.939 2.620 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.546 -9.319 0.957 1.00 0.00 C ATOM 432 CZ PHE A 29 5.357 -9.678 1.558 1.00 0.00 C ATOM 0 H PHE A 29 6.739 -6.029 5.458 1.00 0.00 H new ATOM 0 HA PHE A 29 8.928 -7.451 4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.855 -5.457 3.156 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.228 -5.950 2.185 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.191 -7.270 3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.177 -7.949 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.943 -9.219 3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.927 -9.894 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.806 -10.535 1.199 1.00 0.00 H new ATOM 442 N GLY A 30 8.886 -4.332 5.111 1.00 0.00 N ATOM 443 CA GLY A 30 9.764 -3.224 5.357 1.00 0.00 C ATOM 444 C GLY A 30 9.194 -2.259 6.344 1.00 0.00 C ATOM 445 O GLY A 30 8.168 -2.534 6.967 1.00 0.00 O ATOM 0 H GLY A 30 7.930 -4.217 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.720 -3.596 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.964 -2.706 4.419 1.00 0.00 H new ATOM 449 N GLU A 31 9.832 -1.126 6.462 1.00 0.00 N ATOM 450 CA GLU A 31 9.440 -0.117 7.398 1.00 0.00 C ATOM 451 C GLU A 31 8.486 0.893 6.787 1.00 0.00 C ATOM 452 O GLU A 31 8.707 1.404 5.695 1.00 0.00 O ATOM 453 CB GLU A 31 10.665 0.480 8.124 1.00 0.00 C ATOM 454 CG GLU A 31 11.968 0.543 7.301 1.00 0.00 C ATOM 455 CD GLU A 31 12.066 1.686 6.321 1.00 0.00 C ATOM 456 OE1 GLU A 31 11.638 1.555 5.153 1.00 0.00 O1- ATOM 457 OE2 GLU A 31 12.652 2.717 6.702 1.00 0.00 O ATOM 0 H GLU A 31 10.648 -0.878 5.902 1.00 0.00 H new ATOM 0 HA GLU A 31 8.850 -0.584 8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.414 1.489 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.853 -0.108 9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.810 0.606 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.076 -0.393 6.752 1.00 0.00 H new ATOM 464 N ILE A 32 7.404 1.136 7.490 1.00 0.00 N ATOM 465 CA ILE A 32 6.319 1.938 6.979 1.00 0.00 C ATOM 466 C ILE A 32 6.370 3.342 7.562 1.00 0.00 C ATOM 467 O ILE A 32 6.449 3.512 8.776 1.00 0.00 O ATOM 468 CB ILE A 32 4.940 1.298 7.345 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.923 -0.219 7.044 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.791 2.000 6.620 1.00 0.00 C ATOM 471 CD1 ILE A 32 5.223 -0.589 5.607 1.00 0.00 C ATOM 0 H ILE A 32 7.252 0.782 8.434 1.00 0.00 H new ATOM 0 HA ILE A 32 6.426 1.985 5.895 1.00 0.00 H new ATOM 0 HB ILE A 32 4.798 1.432 8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.651 -0.711 7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.943 -0.616 7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.846 1.531 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.771 3.052 6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.936 1.917 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.188 -1.673 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.482 -0.132 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.216 -0.229 5.338 1.00 0.00 H new ATOM 483 N LEU A 33 6.333 4.324 6.696 1.00 0.00 N ATOM 484 CA LEU A 33 6.288 5.710 7.102 1.00 0.00 C ATOM 485 C LEU A 33 4.835 6.139 7.274 1.00 0.00 C ATOM 486 O LEU A 33 4.481 6.790 8.251 1.00 0.00 O ATOM 487 CB LEU A 33 6.986 6.615 6.076 1.00 0.00 C ATOM 488 CG LEU A 33 8.475 6.341 5.797 1.00 0.00 C ATOM 489 CD1 LEU A 33 9.007 7.337 4.781 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.301 6.399 7.084 1.00 0.00 C ATOM 0 H LEU A 33 6.333 4.186 5.685 1.00 0.00 H new ATOM 0 HA LEU A 33 6.818 5.810 8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.445 6.537 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.890 7.647 6.414 1.00 0.00 H new ATOM 0 HG LEU A 33 8.564 5.334 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.061 7.135 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.446 7.243 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.897 8.349 5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.348 6.201 6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.208 7.389 7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.936 5.648 7.785 1.00 0.00 H new ATOM 502 N ASP A 34 3.992 5.738 6.325 1.00 0.00 N ATOM 503 CA ASP A 34 2.567 6.065 6.356 1.00 0.00 C ATOM 504 C ASP A 34 1.812 5.111 5.468 1.00 0.00 C ATOM 505 O ASP A 34 2.395 4.504 4.576 1.00 0.00 O ATOM 506 CB ASP A 34 2.264 7.526 5.914 1.00 0.00 C ATOM 507 CG ASP A 34 2.319 7.801 4.412 1.00 0.00 C ATOM 508 OD1 ASP A 34 3.383 8.156 3.892 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 1.275 7.702 3.735 1.00 0.00 O ATOM 0 H ASP A 34 4.274 5.181 5.518 1.00 0.00 H new ATOM 0 HA ASP A 34 2.244 5.970 7.393 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.271 7.794 6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.974 8.188 6.410 1.00 0.00 H new ATOM 514 N SER A 35 0.561 4.907 5.765 1.00 0.00 N ATOM 515 CA SER A 35 -0.302 4.098 4.957 1.00 0.00 C ATOM 516 C SER A 35 -1.717 4.564 5.218 1.00 0.00 C ATOM 517 O SER A 35 -2.104 4.701 6.377 1.00 0.00 O ATOM 518 CB SER A 35 -0.130 2.606 5.305 1.00 0.00 C ATOM 519 OG SER A 35 -0.810 1.772 4.383 1.00 0.00 O ATOM 0 H SER A 35 0.106 5.304 6.587 1.00 0.00 H new ATOM 0 HA SER A 35 -0.059 4.202 3.900 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.930 2.353 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.508 2.421 6.311 1.00 0.00 H new ATOM 0 HG SER A 35 -0.803 2.190 3.497 1.00 0.00 H new ATOM 525 N LYS A 36 -2.468 4.860 4.170 1.00 0.00 N ATOM 526 CA LYS A 36 -3.837 5.330 4.320 1.00 0.00 C ATOM 527 C LYS A 36 -4.756 4.773 3.265 1.00 0.00 C ATOM 528 O LYS A 36 -4.334 4.532 2.125 1.00 0.00 O ATOM 529 CB LYS A 36 -3.934 6.873 4.334 1.00 0.00 C ATOM 530 CG LYS A 36 -3.445 7.549 5.620 1.00 0.00 C ATOM 531 CD LYS A 36 -4.178 7.013 6.858 1.00 0.00 C ATOM 532 CE LYS A 36 -5.670 7.294 6.844 1.00 0.00 C ATOM 533 NZ LYS A 36 -6.351 6.588 7.965 1.00 0.00 N1+ ATOM 0 H LYS A 36 -2.152 4.783 3.203 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.164 4.957 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.358 7.264 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.973 7.157 4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.373 7.385 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.597 8.626 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.019 5.937 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.740 7.458 7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.843 8.367 6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.096 6.973 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.963 5.839 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.638 6.165 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.928 7.266 8.503 1.00 0.00 H new ATOM 547 N ILE A 37 -5.998 4.531 3.666 1.00 0.00 N ATOM 548 CA ILE A 37 -7.045 4.116 2.744 1.00 0.00 C ATOM 549 C ILE A 37 -7.631 5.360 2.118 1.00 0.00 C ATOM 550 O ILE A 37 -7.907 6.348 2.819 1.00 0.00 O ATOM 551 CB ILE A 37 -8.204 3.330 3.452 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.688 2.078 4.156 1.00 0.00 C ATOM 553 CG2 ILE A 37 -9.322 2.959 2.468 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.946 1.110 3.263 1.00 0.00 C ATOM 0 H ILE A 37 -6.306 4.617 4.635 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.598 3.448 2.008 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.620 4.000 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.027 2.381 4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.532 1.559 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.106 2.416 2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.740 3.867 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.916 2.330 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.617 0.252 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.607 0.772 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.078 1.607 2.830 1.00 0.00 H new ATOM 566 N ILE A 38 -7.813 5.334 0.836 1.00 0.00 N ATOM 567 CA ILE A 38 -8.355 6.460 0.155 1.00 0.00 C ATOM 568 C ILE A 38 -9.865 6.323 0.040 1.00 0.00 C ATOM 569 O ILE A 38 -10.400 5.391 -0.596 1.00 0.00 O ATOM 570 CB ILE A 38 -7.686 6.673 -1.226 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.156 6.845 -1.041 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.291 7.881 -1.952 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.750 8.010 -0.142 1.00 0.00 C ATOM 0 H ILE A 38 -7.591 4.538 0.238 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.138 7.353 0.741 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.871 5.795 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.748 5.924 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.698 6.983 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.803 8.007 -2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.358 7.718 -2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.143 8.778 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.663 8.053 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.123 8.943 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.173 7.867 0.852 1.00 0.00 H new ATOM 585 N ASN A 39 -10.539 7.204 0.713 1.00 0.00 N ATOM 586 CA ASN A 39 -11.973 7.240 0.719 1.00 0.00 C ATOM 587 C ASN A 39 -12.535 8.280 -0.246 1.00 0.00 C ATOM 588 O ASN A 39 -11.812 9.146 -0.749 1.00 0.00 O ATOM 589 CB ASN A 39 -12.569 7.369 2.145 1.00 0.00 C ATOM 590 CG ASN A 39 -11.899 8.415 3.025 1.00 0.00 C ATOM 591 OD1 ASN A 39 -11.308 9.375 2.548 1.00 0.00 O ATOM 592 ND2 ASN A 39 -12.011 8.247 4.318 1.00 0.00 N ATOM 0 H ASN A 39 -10.104 7.930 1.283 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.298 6.268 0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.628 7.611 2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.502 6.401 2.641 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.600 8.926 4.958 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.510 7.437 4.686 1.00 0.00 H new ATOM 706 N ARG A 47 -12.836 4.060 -1.537 1.00 0.00 N ATOM 707 CA ARG A 47 -12.567 3.804 -2.947 1.00 0.00 C ATOM 708 C ARG A 47 -11.810 2.508 -3.186 1.00 0.00 C ATOM 709 O ARG A 47 -11.421 2.201 -4.304 1.00 0.00 O ATOM 710 CB ARG A 47 -11.948 5.015 -3.652 1.00 0.00 C ATOM 711 CG ARG A 47 -12.949 6.144 -3.782 1.00 0.00 C ATOM 712 CD ARG A 47 -12.451 7.326 -4.593 1.00 0.00 C ATOM 713 NE ARG A 47 -13.574 8.228 -4.856 1.00 0.00 N ATOM 714 CZ ARG A 47 -13.552 9.466 -5.347 1.00 0.00 C ATOM 715 NH1 ARG A 47 -12.411 10.086 -5.641 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -14.694 10.074 -5.520 1.00 0.00 N ATOM 0 HA ARG A 47 -13.537 3.651 -3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.078 5.359 -3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.596 4.722 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.858 5.758 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.221 6.490 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.665 7.851 -4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.016 6.983 -5.531 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.498 7.858 -4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.520 9.612 -5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.428 11.035 -6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.565 9.600 -5.281 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.715 11.023 -5.894 1.00 0.00 H new ATOM 730 N GLY A 48 -11.633 1.748 -2.119 1.00 0.00 N ATOM 731 CA GLY A 48 -11.062 0.416 -2.211 1.00 0.00 C ATOM 732 C GLY A 48 -9.598 0.376 -2.589 1.00 0.00 C ATOM 733 O GLY A 48 -9.132 -0.616 -3.168 1.00 0.00 O ATOM 0 H GLY A 48 -11.879 2.034 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.188 -0.085 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.628 -0.156 -2.946 1.00 0.00 H new ATOM 737 N PHE A 49 -8.868 1.419 -2.281 1.00 0.00 N ATOM 738 CA PHE A 49 -7.455 1.430 -2.543 1.00 0.00 C ATOM 739 C PHE A 49 -6.766 2.336 -1.548 1.00 0.00 C ATOM 740 O PHE A 49 -7.438 3.061 -0.790 1.00 0.00 O ATOM 741 CB PHE A 49 -7.127 1.841 -4.006 1.00 0.00 C ATOM 742 CG PHE A 49 -7.320 3.284 -4.357 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.550 3.772 -4.745 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.243 4.142 -4.318 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.701 5.103 -5.084 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.384 5.473 -4.651 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.617 5.956 -5.034 1.00 0.00 C ATOM 0 H PHE A 49 -9.230 2.269 -1.849 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.079 0.414 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.089 1.577 -4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.745 1.242 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.402 3.109 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.274 3.767 -4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.668 5.476 -5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.531 6.135 -4.612 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.734 6.998 -5.294 1.00 0.00 H new ATOM 757 N GLY A 50 -5.466 2.285 -1.533 1.00 0.00 N ATOM 758 CA GLY A 50 -4.686 3.091 -0.658 1.00 0.00 C ATOM 759 C GLY A 50 -3.238 3.016 -1.038 1.00 0.00 C ATOM 760 O GLY A 50 -2.908 2.580 -2.141 1.00 0.00 O ATOM 0 H GLY A 50 -4.917 1.674 -2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.028 4.125 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.817 2.756 0.371 1.00 0.00 H new ATOM 764 N PHE A 51 -2.382 3.432 -0.165 1.00 0.00 N ATOM 765 CA PHE A 51 -0.957 3.366 -0.414 1.00 0.00 C ATOM 766 C PHE A 51 -0.188 3.006 0.835 1.00 0.00 C ATOM 767 O PHE A 51 -0.679 3.211 1.958 1.00 0.00 O ATOM 768 CB PHE A 51 -0.418 4.669 -1.052 1.00 0.00 C ATOM 769 CG PHE A 51 -0.888 5.948 -0.415 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.571 6.268 0.897 1.00 0.00 C ATOM 771 CD2 PHE A 51 -1.660 6.826 -1.143 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.016 7.440 1.465 1.00 0.00 C ATOM 773 CE2 PHE A 51 -2.109 8.004 -0.582 1.00 0.00 C ATOM 774 CZ PHE A 51 -1.786 8.311 0.725 1.00 0.00 C ATOM 0 H PHE A 51 -2.636 3.827 0.740 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.801 2.566 -1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.671 4.646 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.703 4.682 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.033 5.589 1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.917 6.590 -2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.762 7.676 2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.712 8.685 -1.164 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.136 9.232 1.167 1.00 0.00 H new ATOM 784 N VAL A 52 0.989 2.446 0.650 1.00 0.00 N ATOM 785 CA VAL A 52 1.860 2.099 1.749 1.00 0.00 C ATOM 786 C VAL A 52 3.208 2.743 1.501 1.00 0.00 C ATOM 787 O VAL A 52 3.837 2.500 0.467 1.00 0.00 O ATOM 788 CB VAL A 52 2.051 0.566 1.884 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.914 0.239 3.080 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.723 -0.146 1.992 1.00 0.00 C ATOM 0 H VAL A 52 1.368 2.219 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 52 1.407 2.456 2.674 1.00 0.00 H new ATOM 0 HB VAL A 52 2.552 0.216 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.035 -0.842 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.892 0.707 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.439 0.616 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.892 -1.219 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.187 0.215 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.130 0.052 1.099 1.00 0.00 H new ATOM 800 N THR A 53 3.624 3.573 2.385 1.00 0.00 N ATOM 801 CA THR A 53 4.857 4.258 2.242 1.00 0.00 C ATOM 802 C THR A 53 5.967 3.599 3.030 1.00 0.00 C ATOM 803 O THR A 53 5.857 3.414 4.228 1.00 0.00 O ATOM 804 CB THR A 53 4.675 5.700 2.681 1.00 0.00 C ATOM 805 OG1 THR A 53 3.601 6.236 1.940 1.00 0.00 O ATOM 806 CG2 THR A 53 5.926 6.518 2.428 1.00 0.00 C ATOM 0 H THR A 53 3.113 3.799 3.238 1.00 0.00 H new ATOM 0 HA THR A 53 5.151 4.222 1.193 1.00 0.00 H new ATOM 0 HB THR A 53 4.475 5.733 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.754 5.980 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.761 7.545 2.754 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.759 6.090 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.158 6.508 1.363 1.00 0.00 H new ATOM 814 N PHE A 54 6.996 3.231 2.329 1.00 0.00 N ATOM 815 CA PHE A 54 8.207 2.697 2.904 1.00 0.00 C ATOM 816 C PHE A 54 9.240 3.791 2.856 1.00 0.00 C ATOM 817 O PHE A 54 8.981 4.852 2.282 1.00 0.00 O ATOM 818 CB PHE A 54 8.716 1.527 2.069 1.00 0.00 C ATOM 819 CG PHE A 54 7.884 0.280 2.121 1.00 0.00 C ATOM 820 CD1 PHE A 54 6.753 0.139 1.331 1.00 0.00 C ATOM 821 CD2 PHE A 54 8.246 -0.760 2.947 1.00 0.00 C ATOM 822 CE1 PHE A 54 6.006 -1.016 1.374 1.00 0.00 C ATOM 823 CE2 PHE A 54 7.505 -1.917 2.990 1.00 0.00 C ATOM 824 CZ PHE A 54 6.387 -2.045 2.207 1.00 0.00 C ATOM 0 H PHE A 54 7.024 3.293 1.311 1.00 0.00 H new ATOM 0 HA PHE A 54 8.019 2.354 3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.789 1.850 1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.726 1.282 2.398 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.455 0.944 0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.124 -0.666 3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.125 -1.115 0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.804 -2.725 3.641 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.804 -2.954 2.243 1.00 0.00 H new ATOM 834 N LYS A 55 10.379 3.579 3.433 1.00 0.00 N ATOM 835 CA LYS A 55 11.430 4.558 3.321 1.00 0.00 C ATOM 836 C LYS A 55 12.554 3.979 2.461 1.00 0.00 C ATOM 837 O LYS A 55 13.380 4.702 1.913 1.00 0.00 O ATOM 838 CB LYS A 55 11.951 4.917 4.691 1.00 0.00 C ATOM 839 CG LYS A 55 12.895 6.113 4.740 1.00 0.00 C ATOM 840 CD LYS A 55 13.642 6.165 6.065 1.00 0.00 C ATOM 841 CE LYS A 55 14.893 5.265 6.068 1.00 0.00 C ATOM 842 NZ LYS A 55 14.647 3.880 5.582 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.611 2.751 3.981 1.00 0.00 H new ATOM 0 HA LYS A 55 11.043 5.463 2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.101 5.120 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.468 4.050 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.609 6.051 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.328 7.034 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.937 7.194 6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.973 5.856 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.660 5.726 5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.291 5.217 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.530 3.333 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.926 3.426 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.313 3.912 4.598 1.00 0.00 H new ATOM 856 N ASP A 56 12.596 2.671 2.380 1.00 0.00 N ATOM 857 CA ASP A 56 13.568 1.980 1.554 1.00 0.00 C ATOM 858 C ASP A 56 12.906 1.454 0.298 1.00 0.00 C ATOM 859 O ASP A 56 11.754 1.003 0.340 1.00 0.00 O ATOM 860 CB ASP A 56 14.222 0.832 2.325 1.00 0.00 C ATOM 861 CG ASP A 56 14.995 -0.087 1.416 1.00 0.00 C ATOM 862 OD1 ASP A 56 15.936 0.372 0.759 1.00 0.00 O ATOM 863 OD2 ASP A 56 14.625 -1.257 1.320 1.00 0.00 O1- ATOM 0 H ASP A 56 11.960 2.052 2.883 1.00 0.00 H new ATOM 0 HA ASP A 56 14.346 2.691 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.891 1.239 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.454 0.263 2.849 1.00 0.00 H new ATOM 868 N GLU A 57 13.607 1.521 -0.822 1.00 0.00 N ATOM 869 CA GLU A 57 13.040 1.064 -2.060 1.00 0.00 C ATOM 870 C GLU A 57 13.132 -0.418 -2.215 1.00 0.00 C ATOM 871 O GLU A 57 12.247 -1.015 -2.797 1.00 0.00 O ATOM 872 CB GLU A 57 13.593 1.768 -3.281 1.00 0.00 C ATOM 873 CG GLU A 57 15.090 1.706 -3.495 1.00 0.00 C ATOM 874 CD GLU A 57 15.462 2.363 -4.805 1.00 0.00 C ATOM 875 OE1 GLU A 57 15.578 3.594 -4.845 1.00 0.00 O ATOM 876 OE2 GLU A 57 15.576 1.641 -5.823 1.00 0.00 O1- ATOM 0 H GLU A 57 14.558 1.884 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 57 11.986 1.333 -1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.108 1.348 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.302 2.817 -3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.602 2.205 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.421 0.668 -3.494 1.00 0.00 H new ATOM 883 N LYS A 58 14.174 -1.010 -1.677 1.00 0.00 N ATOM 884 CA LYS A 58 14.366 -2.452 -1.772 1.00 0.00 C ATOM 885 C LYS A 58 13.189 -3.187 -1.132 1.00 0.00 C ATOM 886 O LYS A 58 12.541 -4.013 -1.781 1.00 0.00 O ATOM 887 CB LYS A 58 15.733 -2.881 -1.166 1.00 0.00 C ATOM 888 CG LYS A 58 15.921 -4.392 -0.975 1.00 0.00 C ATOM 889 CD LYS A 58 15.705 -5.176 -2.263 1.00 0.00 C ATOM 890 CE LYS A 58 15.736 -6.671 -1.996 1.00 0.00 C ATOM 891 NZ LYS A 58 15.258 -7.444 -3.163 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.908 -0.519 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 58 14.394 -2.732 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.530 -2.511 -1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.853 -2.392 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.926 -4.585 -0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.224 -4.748 -0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.748 -4.901 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.477 -4.915 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.753 -6.976 -1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.116 -6.899 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.815 -8.327 -2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.560 -6.881 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.062 -7.668 -3.784 1.00 0.00 H new ATOM 905 N ALA A 59 12.886 -2.830 0.091 1.00 0.00 N ATOM 906 CA ALA A 59 11.776 -3.415 0.819 1.00 0.00 C ATOM 907 C ALA A 59 10.449 -3.110 0.132 1.00 0.00 C ATOM 908 O ALA A 59 9.539 -3.919 0.145 1.00 0.00 O ATOM 909 CB ALA A 59 11.762 -2.896 2.246 1.00 0.00 C ATOM 0 H ALA A 59 13.401 -2.123 0.616 1.00 0.00 H new ATOM 0 HA ALA A 59 11.907 -4.497 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.926 -3.340 2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.696 -3.164 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.654 -1.811 2.238 1.00 0.00 H new ATOM 915 N MET A 60 10.370 -1.953 -0.499 1.00 0.00 N ATOM 916 CA MET A 60 9.155 -1.522 -1.172 1.00 0.00 C ATOM 917 C MET A 60 8.928 -2.310 -2.472 1.00 0.00 C ATOM 918 O MET A 60 7.833 -2.797 -2.717 1.00 0.00 O ATOM 919 CB MET A 60 9.196 0.007 -1.395 1.00 0.00 C ATOM 920 CG MET A 60 7.949 0.638 -2.032 1.00 0.00 C ATOM 921 SD MET A 60 7.873 0.484 -3.824 1.00 0.00 S ATOM 922 CE MET A 60 9.347 1.370 -4.319 1.00 0.00 C ATOM 0 H MET A 60 11.141 -1.288 -0.560 1.00 0.00 H new ATOM 0 HA MET A 60 8.296 -1.739 -0.538 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.368 0.488 -0.432 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.055 0.237 -2.025 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.061 0.174 -1.601 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.916 1.695 -1.768 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.077 2.165 -5.014 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.824 1.803 -3.440 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.039 0.682 -4.805 1.00 0.00 H new ATOM 932 N ARG A 61 9.983 -2.478 -3.265 1.00 0.00 N ATOM 933 CA ARG A 61 9.908 -3.205 -4.549 1.00 0.00 C ATOM 934 C ARG A 61 9.508 -4.650 -4.316 1.00 0.00 C ATOM 935 O ARG A 61 8.613 -5.178 -4.982 1.00 0.00 O ATOM 936 CB ARG A 61 11.261 -3.154 -5.273 1.00 0.00 C ATOM 937 CG ARG A 61 11.713 -1.755 -5.654 1.00 0.00 C ATOM 938 CD ARG A 61 10.981 -1.198 -6.875 1.00 0.00 C ATOM 939 NE ARG A 61 11.182 0.267 -7.061 1.00 0.00 N ATOM 940 CZ ARG A 61 12.331 0.989 -6.957 1.00 0.00 C ATOM 941 NH1 ARG A 61 13.522 0.408 -6.803 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 12.257 2.304 -7.064 1.00 0.00 N ATOM 0 H ARG A 61 10.913 -2.120 -3.046 1.00 0.00 H new ATOM 0 HA ARG A 61 9.154 -2.723 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.019 -3.607 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.200 -3.762 -6.176 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.556 -1.086 -4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.784 -1.768 -5.855 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.325 -1.722 -7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.915 -1.402 -6.776 1.00 0.00 H new ATOM 0 HE ARG A 61 10.346 0.800 -7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.592 -0.609 -6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.363 0.980 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.355 2.753 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.102 2.870 -6.990 1.00 0.00 H new ATOM 956 N ASP A 62 10.147 -5.262 -3.346 1.00 0.00 N ATOM 957 CA ASP A 62 9.881 -6.650 -2.973 1.00 0.00 C ATOM 958 C ASP A 62 8.501 -6.794 -2.360 1.00 0.00 C ATOM 959 O ASP A 62 7.873 -7.848 -2.450 1.00 0.00 O ATOM 960 CB ASP A 62 10.961 -7.176 -2.011 1.00 0.00 C ATOM 961 CG ASP A 62 12.303 -7.430 -2.687 1.00 0.00 C ATOM 962 OD1 ASP A 62 12.822 -6.537 -3.412 1.00 0.00 O1- ATOM 963 OD2 ASP A 62 12.899 -8.520 -2.504 1.00 0.00 O ATOM 0 H ASP A 62 10.872 -4.816 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 62 9.912 -7.252 -3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.100 -6.456 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.611 -8.102 -1.555 1.00 0.00 H new ATOM 968 N ALA A 63 8.002 -5.717 -1.779 1.00 0.00 N ATOM 969 CA ALA A 63 6.691 -5.733 -1.170 1.00 0.00 C ATOM 970 C ALA A 63 5.625 -5.650 -2.228 1.00 0.00 C ATOM 971 O ALA A 63 4.526 -6.170 -2.051 1.00 0.00 O ATOM 972 CB ALA A 63 6.527 -4.598 -0.186 1.00 0.00 C ATOM 0 H ALA A 63 8.488 -4.822 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 63 6.588 -6.672 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.531 -4.639 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.275 -4.688 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.657 -3.647 -0.703 1.00 0.00 H new ATOM 978 N ILE A 64 5.961 -5.008 -3.342 1.00 0.00 N ATOM 979 CA ILE A 64 5.034 -4.857 -4.439 1.00 0.00 C ATOM 980 C ILE A 64 4.688 -6.207 -5.015 1.00 0.00 C ATOM 981 O ILE A 64 3.566 -6.637 -4.902 1.00 0.00 O ATOM 982 CB ILE A 64 5.617 -3.939 -5.551 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.768 -2.511 -5.029 1.00 0.00 C ATOM 984 CG2 ILE A 64 4.757 -3.967 -6.817 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.439 -1.571 -5.996 1.00 0.00 C ATOM 0 H ILE A 64 6.875 -4.585 -3.502 1.00 0.00 H new ATOM 0 HA ILE A 64 4.130 -4.387 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 64 6.601 -4.322 -5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.781 -2.119 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.342 -2.533 -4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.197 -3.313 -7.570 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.710 -4.985 -7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.750 -3.622 -6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.508 -0.579 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.440 -1.937 -6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.855 -1.516 -6.915 1.00 0.00 H new ATOM 997 N GLU A 65 5.684 -6.930 -5.469 1.00 0.00 N ATOM 998 CA GLU A 65 5.455 -8.210 -6.097 1.00 0.00 C ATOM 999 C GLU A 65 5.181 -9.300 -5.071 1.00 0.00 C ATOM 1000 O GLU A 65 4.683 -10.367 -5.393 1.00 0.00 O ATOM 1001 CB GLU A 65 6.609 -8.549 -7.018 1.00 0.00 C ATOM 1002 CG GLU A 65 6.714 -7.606 -8.215 1.00 0.00 C ATOM 1003 CD GLU A 65 5.465 -7.633 -9.101 1.00 0.00 C ATOM 1004 OE1 GLU A 65 4.482 -6.916 -8.788 1.00 0.00 O1- ATOM 1005 OE2 GLU A 65 5.467 -8.365 -10.102 1.00 0.00 O ATOM 0 H GLU A 65 6.664 -6.653 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 65 4.554 -8.145 -6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.540 -8.515 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.492 -9.571 -7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.879 -6.589 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.584 -7.879 -8.812 1.00 0.00 H new ATOM 1012 N GLY A 66 5.517 -9.015 -3.827 1.00 0.00 N ATOM 1013 CA GLY A 66 5.226 -9.934 -2.759 1.00 0.00 C ATOM 1014 C GLY A 66 3.763 -9.879 -2.348 1.00 0.00 C ATOM 1015 O GLY A 66 3.291 -10.742 -1.631 1.00 0.00 O ATOM 0 H GLY A 66 5.989 -8.158 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.477 -10.947 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.854 -9.702 -1.899 1.00 0.00 H new ATOM 1019 N MET A 67 3.061 -8.839 -2.780 1.00 0.00 N ATOM 1020 CA MET A 67 1.639 -8.684 -2.474 1.00 0.00 C ATOM 1021 C MET A 67 0.780 -8.620 -3.735 1.00 0.00 C ATOM 1022 O MET A 67 -0.390 -8.984 -3.714 1.00 0.00 O ATOM 1023 CB MET A 67 1.412 -7.416 -1.651 1.00 0.00 C ATOM 1024 CG MET A 67 1.748 -7.522 -0.176 1.00 0.00 C ATOM 1025 SD MET A 67 0.568 -8.546 0.721 1.00 0.00 S ATOM 1026 CE MET A 67 1.147 -8.336 2.397 1.00 0.00 C ATOM 0 H MET A 67 3.452 -8.086 -3.346 1.00 0.00 H new ATOM 0 HA MET A 67 1.339 -9.563 -1.904 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.008 -6.612 -2.084 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.366 -7.125 -1.747 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.748 -7.940 -0.062 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.767 -6.524 0.263 1.00 0.00 H new ATOM 0 HE1 MET A 67 0.942 -9.241 2.969 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.220 -8.146 2.390 1.00 0.00 H new ATOM 0 HE3 MET A 67 0.633 -7.492 2.857 1.00 0.00 H new ATOM 1036 N ASN A 68 1.367 -8.182 -4.814 1.00 0.00 N ATOM 1037 CA ASN A 68 0.669 -7.988 -6.082 1.00 0.00 C ATOM 1038 C ASN A 68 0.160 -9.304 -6.642 1.00 0.00 C ATOM 1039 O ASN A 68 0.928 -10.216 -6.916 1.00 0.00 O ATOM 1040 CB ASN A 68 1.612 -7.306 -7.087 1.00 0.00 C ATOM 1041 CG ASN A 68 0.983 -6.986 -8.424 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.231 -6.739 -8.522 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.802 -6.926 -9.443 1.00 0.00 N ATOM 0 H ASN A 68 2.358 -7.943 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.197 -7.351 -5.905 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.985 -6.382 -6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.475 -7.952 -7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.451 -6.668 -10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.792 -7.137 -9.315 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.144 -9.413 -6.749 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.733 -10.577 -7.335 1.00 0.00 C ATOM 1052 C GLY A 69 -2.310 -11.536 -6.321 1.00 0.00 C ATOM 1053 O GLY A 69 -3.191 -12.332 -6.659 1.00 0.00 O ATOM 0 H GLY A 69 -1.810 -8.706 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.522 -10.269 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.980 -11.097 -7.927 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.858 -11.465 -5.078 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.333 -12.417 -4.090 1.00 0.00 C ATOM 1059 C GLN A 70 -3.588 -11.919 -3.395 1.00 0.00 C ATOM 1060 O GLN A 70 -4.040 -10.784 -3.629 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.267 -12.797 -3.049 1.00 0.00 C ATOM 1062 CG GLN A 70 -0.923 -11.735 -2.021 1.00 0.00 C ATOM 1063 CD GLN A 70 -0.031 -12.300 -0.933 1.00 0.00 C ATOM 1064 OE1 GLN A 70 -0.079 -13.487 -0.629 1.00 0.00 O ATOM 1065 NE2 GLN A 70 0.737 -11.470 -0.308 1.00 0.00 N ATOM 0 H GLN A 70 -1.183 -10.780 -4.738 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.571 -13.322 -4.648 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.607 -13.688 -2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.354 -13.070 -3.578 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.422 -10.900 -2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.838 -11.342 -1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.757 -10.488 -0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.324 -11.797 0.460 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.136 -12.761 -2.547 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.331 -12.440 -1.806 1.00 0.00 C ATOM 1076 C ASP A 71 -4.953 -11.843 -0.483 1.00 0.00 C ATOM 1077 O ASP A 71 -4.026 -12.314 0.186 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.192 -13.688 -1.552 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.505 -13.362 -0.831 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.503 -13.159 0.418 1.00 0.00 O1- ATOM 1081 OD2 ASP A 71 -8.535 -13.281 -1.506 1.00 0.00 O ATOM 0 H ASP A 71 -3.763 -13.690 -2.353 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.910 -11.732 -2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.415 -14.171 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.623 -14.402 -0.957 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.616 -10.805 -0.140 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.474 -10.197 1.121 1.00 0.00 C ATOM 1088 C LEU A 72 -6.851 -9.871 1.622 1.00 0.00 C ATOM 1089 O LEU A 72 -7.533 -9.037 1.034 1.00 0.00 O ATOM 1090 CB LEU A 72 -4.609 -8.928 1.042 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.404 -8.164 2.363 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.720 -9.042 3.404 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.604 -6.890 2.131 1.00 0.00 C ATOM 0 H LEU A 72 -6.292 -10.343 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.966 -10.877 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.630 -9.204 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.062 -8.249 0.320 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.387 -7.889 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.588 -8.477 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.336 -9.920 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.746 -9.359 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.471 -6.366 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.628 -7.143 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.139 -6.247 1.432 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.280 -10.607 2.645 1.00 0.00 N ATOM 1106 CA ASP A 73 -8.559 -10.364 3.346 1.00 0.00 C ATOM 1107 C ASP A 73 -9.789 -10.672 2.430 1.00 0.00 C ATOM 1108 O ASP A 73 -10.889 -10.145 2.602 1.00 0.00 O ATOM 1109 CB ASP A 73 -8.541 -8.909 3.932 1.00 0.00 C ATOM 1110 CG ASP A 73 -9.793 -8.456 4.681 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -10.156 -9.085 5.681 1.00 0.00 O1- ATOM 1112 OD2 ASP A 73 -10.395 -7.411 4.268 1.00 0.00 O ATOM 0 H ASP A 73 -6.754 -11.396 3.021 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.669 -11.054 4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.691 -8.825 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.365 -8.214 3.111 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.598 -11.589 1.480 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.701 -12.022 0.640 1.00 0.00 C ATOM 1119 C GLY A 74 -10.784 -11.268 -0.664 1.00 0.00 C ATOM 1120 O GLY A 74 -11.825 -11.295 -1.353 1.00 0.00 O ATOM 0 H GLY A 74 -8.703 -12.036 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.594 -13.086 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.636 -11.896 1.186 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.749 -10.540 -0.972 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.663 -9.814 -2.204 1.00 0.00 C ATOM 1126 C ARG A 75 -8.261 -9.907 -2.760 1.00 0.00 C ATOM 1127 O ARG A 75 -7.293 -9.844 -2.020 1.00 0.00 O ATOM 1128 CB ARG A 75 -10.028 -8.369 -1.966 1.00 0.00 C ATOM 1129 CG ARG A 75 -9.967 -7.451 -3.169 1.00 0.00 C ATOM 1130 CD ARG A 75 -10.987 -7.781 -4.226 1.00 0.00 C ATOM 1131 NE ARG A 75 -11.172 -6.632 -5.143 1.00 0.00 N ATOM 1132 CZ ARG A 75 -10.653 -6.500 -6.383 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -9.830 -7.417 -6.880 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -10.943 -5.411 -7.112 1.00 0.00 N ATOM 0 H ARG A 75 -8.934 -10.434 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.357 -10.246 -2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.039 -8.335 -1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.364 -7.971 -1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.116 -6.423 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.970 -7.504 -3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.665 -8.656 -4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.937 -8.036 -3.756 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.750 -5.863 -4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.582 -8.235 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.446 -7.303 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.552 -4.688 -6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.554 -5.306 -8.049 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.156 -10.023 -4.049 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.868 -10.035 -4.696 1.00 0.00 C ATOM 1150 C ASN A 76 -6.445 -8.616 -4.989 1.00 0.00 C ATOM 1151 O ASN A 76 -7.130 -7.871 -5.703 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.835 -10.919 -5.951 1.00 0.00 C ATOM 1153 CG ASN A 76 -7.793 -10.518 -7.050 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -8.907 -10.020 -6.812 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -7.357 -10.705 -8.256 1.00 0.00 N ATOM 0 H ASN A 76 -8.950 -10.112 -4.683 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.149 -10.488 -4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.822 -10.911 -6.354 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.054 -11.946 -5.658 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -7.935 -10.440 -9.054 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.436 -11.117 -8.407 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.348 -8.250 -4.412 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.844 -6.895 -4.445 1.00 0.00 C ATOM 1164 C ILE A 77 -3.842 -6.666 -5.577 1.00 0.00 C ATOM 1165 O ILE A 77 -3.143 -7.587 -6.014 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.172 -6.546 -3.093 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.169 -7.647 -2.710 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.227 -6.374 -2.005 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.327 -7.341 -1.500 1.00 0.00 C ATOM 0 H ILE A 77 -4.754 -8.893 -3.888 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.700 -6.245 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.634 -5.604 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.717 -8.572 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.509 -7.829 -3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.740 -6.129 -1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.907 -5.569 -2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.789 -7.301 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.651 -8.174 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.746 -6.436 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.974 -7.191 -0.635 1.00 0.00 H new ATOM 1181 N THR A 78 -3.798 -5.449 -6.052 1.00 0.00 N ATOM 1182 CA THR A 78 -2.859 -5.024 -7.059 1.00 0.00 C ATOM 1183 C THR A 78 -1.928 -4.000 -6.424 1.00 0.00 C ATOM 1184 O THR A 78 -2.393 -3.021 -5.832 1.00 0.00 O ATOM 1185 CB THR A 78 -3.609 -4.377 -8.245 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.580 -5.314 -8.744 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.643 -3.978 -9.373 1.00 0.00 C ATOM 0 H THR A 78 -4.428 -4.708 -5.743 1.00 0.00 H new ATOM 0 HA THR A 78 -2.295 -5.879 -7.433 1.00 0.00 H new ATOM 0 HB THR A 78 -4.100 -3.469 -7.895 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.064 -4.914 -9.496 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.205 -3.526 -10.190 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.916 -3.261 -8.993 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.122 -4.864 -9.737 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.646 -4.231 -6.501 1.00 0.00 N ATOM 1196 CA VAL A 79 0.312 -3.332 -5.893 1.00 0.00 C ATOM 1197 C VAL A 79 1.288 -2.877 -6.957 1.00 0.00 C ATOM 1198 O VAL A 79 1.651 -3.651 -7.827 1.00 0.00 O ATOM 1199 CB VAL A 79 1.089 -4.013 -4.716 1.00 0.00 C ATOM 1200 CG1 VAL A 79 1.982 -3.014 -3.990 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.135 -4.672 -3.733 1.00 0.00 C ATOM 0 H VAL A 79 -0.235 -5.033 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.227 -2.482 -5.475 1.00 0.00 H new ATOM 0 HB VAL A 79 1.722 -4.786 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.507 -3.518 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.708 -2.599 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.371 -2.209 -3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.705 -5.136 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.535 -3.920 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.450 -5.434 -4.249 1.00 0.00 H new ATOM 1211 N ASN A 80 1.653 -1.627 -6.919 1.00 0.00 N ATOM 1212 CA ASN A 80 2.603 -1.053 -7.855 1.00 0.00 C ATOM 1213 C ASN A 80 3.267 0.158 -7.213 1.00 0.00 C ATOM 1214 O ASN A 80 2.880 0.560 -6.123 1.00 0.00 O ATOM 1215 CB ASN A 80 1.929 -0.704 -9.216 1.00 0.00 C ATOM 1216 CG ASN A 80 0.789 0.311 -9.130 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.129 0.445 -8.129 1.00 0.00 O ATOM 1218 ND2 ASN A 80 0.517 0.976 -10.218 1.00 0.00 N ATOM 0 H ASN A 80 1.300 -0.962 -6.231 1.00 0.00 H new ATOM 0 HA ASN A 80 3.373 -1.791 -8.083 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.690 -0.316 -9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.545 -1.622 -9.660 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.268 1.627 -10.235 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.090 0.846 -11.052 1.00 0.00 H new ATOM 1225 N GLU A 81 4.272 0.722 -7.847 1.00 0.00 N ATOM 1226 CA GLU A 81 4.983 1.838 -7.266 1.00 0.00 C ATOM 1227 C GLU A 81 4.213 3.132 -7.490 1.00 0.00 C ATOM 1228 O GLU A 81 3.837 3.456 -8.617 1.00 0.00 O ATOM 1229 CB GLU A 81 6.409 1.950 -7.846 1.00 0.00 C ATOM 1230 CG GLU A 81 7.266 3.025 -7.178 1.00 0.00 C ATOM 1231 CD GLU A 81 8.659 3.140 -7.763 1.00 0.00 C ATOM 1232 OE1 GLU A 81 9.495 2.259 -7.485 1.00 0.00 O ATOM 1233 OE2 GLU A 81 8.942 4.129 -8.466 1.00 0.00 O1- ATOM 0 H GLU A 81 4.614 0.427 -8.762 1.00 0.00 H new ATOM 0 HA GLU A 81 5.069 1.664 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.908 0.986 -7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.341 2.164 -8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.762 3.987 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.345 2.805 -6.113 1.00 0.00 H new ATOM 1240 N ALA A 82 3.951 3.839 -6.410 1.00 0.00 N ATOM 1241 CA ALA A 82 3.305 5.135 -6.478 1.00 0.00 C ATOM 1242 C ALA A 82 4.390 6.178 -6.610 1.00 0.00 C ATOM 1243 O ALA A 82 4.165 7.270 -7.145 1.00 0.00 O ATOM 1244 CB ALA A 82 2.477 5.387 -5.225 1.00 0.00 C ATOM 0 H ALA A 82 4.178 3.534 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 82 2.628 5.177 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.000 6.365 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.712 4.616 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.125 5.361 -4.349 1.00 0.00 H new