USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 271 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 8 LYS NZ :NH3+ -127:sc= 1.01 (180deg=-0.776!) USER MOD Set 1.2: A 19 TYR OH : rot 40:sc= 1.83 USER MOD Set 1.3: A 33 SER OG : rot 39:sc= 1.29 USER MOD Set 2.1: A 21 ASN : amide:sc= 1.66 K(o=2.4,f=-7.1!) USER MOD Set 2.2: A 24 THR OG1 : rot -49:sc= 0.758 USER MOD Set 3.1: A 14 ASN : amide:sc= 1.42 K(o=2.7,f=-10!) USER MOD Set 3.2: A 16 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 1 LYS N :NH3+ -117:sc= 1.28 (180deg=-1.7!) USER MOD Single : A 1 LYS NZ :NH3+ 166:sc= 0.904! (180deg=0.252) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -140:sc= 0.763 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= -0.329 K(o=-0.33,f=-3!) USER MOD Single : A 25 ASN : amide:sc= 0.376 K(o=0.38,f=-0.19) USER MOD Single : A 27 SER OG : rot -4:sc= 0.402 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.504 3.824 -4.443 1.00 0.00 N ATOM 2 CA LYS A 1 -9.562 2.380 -4.119 1.00 0.00 C ATOM 3 C LYS A 1 -9.616 1.552 -5.406 1.00 0.00 C ATOM 4 O LYS A 1 -9.836 2.109 -6.477 1.00 0.00 O ATOM 5 CB LYS A 1 -10.649 2.027 -3.081 1.00 0.00 C ATOM 6 CG LYS A 1 -10.155 2.223 -1.633 1.00 0.00 C ATOM 7 CD LYS A 1 -10.235 3.662 -1.095 1.00 0.00 C ATOM 8 CE LYS A 1 -9.398 3.868 0.179 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.942 3.725 -0.072 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.607 4.222 -4.097 1.00 0.00 H new ATOM 0 H2 LYS A 1 -9.565 3.951 -5.473 1.00 0.00 H new ATOM 0 H3 LYS A 1 -10.299 4.314 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.638 2.109 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.528 2.649 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.960 0.992 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.738 1.576 -0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.120 1.888 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.892 4.353 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.276 3.909 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.598 4.859 0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.707 3.145 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.411 4.099 0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.710 2.720 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.684 4.256 -0.928 1.00 0.00 H new ATOM 25 N LEU A 2 -9.297 0.261 -5.289 1.00 0.00 N ATOM 26 CA LEU A 2 -9.049 -0.731 -6.345 1.00 0.00 C ATOM 27 C LEU A 2 -9.551 -2.158 -5.894 1.00 0.00 C ATOM 28 O LEU A 2 -10.039 -2.299 -4.773 1.00 0.00 O ATOM 29 CB LEU A 2 -7.541 -0.729 -6.764 1.00 0.00 C ATOM 30 CG LEU A 2 -6.819 0.551 -7.236 1.00 0.00 C ATOM 31 CD1 LEU A 2 -6.320 1.504 -6.151 1.00 0.00 C ATOM 32 CD2 LEU A 2 -5.553 0.121 -7.994 1.00 0.00 C ATOM 0 H LEU A 2 -9.195 -0.159 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.622 -0.457 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.979 -1.109 -5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.438 -1.460 -7.566 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.573 1.087 -7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.833 2.361 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.164 1.847 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.607 0.985 -5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.019 1.005 -8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.909 -0.454 -7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.832 -0.494 -8.850 1.00 0.00 H new ATOM 44 N PRO A 3 -9.503 -3.197 -6.756 1.00 0.00 N ATOM 45 CA PRO A 3 -10.031 -4.564 -6.594 1.00 0.00 C ATOM 46 C PRO A 3 -9.439 -5.542 -5.551 1.00 0.00 C ATOM 47 O PRO A 3 -8.311 -5.380 -5.071 1.00 0.00 O ATOM 48 CB PRO A 3 -9.642 -5.224 -7.931 1.00 0.00 C ATOM 49 CG PRO A 3 -9.738 -4.114 -8.951 1.00 0.00 C ATOM 50 CD PRO A 3 -9.060 -3.046 -8.122 1.00 0.00 C ATOM 0 HA PRO A 3 -11.065 -4.425 -6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.634 -5.637 -7.890 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.314 -6.046 -8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.212 -4.336 -9.879 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.765 -3.864 -9.219 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.976 -3.145 -8.185 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.312 -2.054 -8.497 1.00 0.00 H new ATOM 58 N PRO A 4 -10.157 -6.661 -5.307 1.00 0.00 N ATOM 59 CA PRO A 4 -9.649 -7.806 -4.555 1.00 0.00 C ATOM 60 C PRO A 4 -8.509 -8.418 -5.390 1.00 0.00 C ATOM 61 O PRO A 4 -8.579 -8.466 -6.619 1.00 0.00 O ATOM 62 CB PRO A 4 -10.826 -8.762 -4.348 1.00 0.00 C ATOM 63 CG PRO A 4 -11.762 -8.424 -5.504 1.00 0.00 C ATOM 64 CD PRO A 4 -11.541 -6.926 -5.699 1.00 0.00 C ATOM 0 HA PRO A 4 -9.248 -7.552 -3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.508 -9.804 -4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.307 -8.605 -3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.514 -8.989 -6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.800 -8.651 -5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.713 -6.639 -6.736 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.235 -6.348 -5.089 1.00 0.00 H new ATOM 72 N GLY A 5 -7.438 -8.851 -4.724 1.00 0.00 N ATOM 73 CA GLY A 5 -6.180 -9.246 -5.363 1.00 0.00 C ATOM 74 C GLY A 5 -5.064 -8.250 -5.058 1.00 0.00 C ATOM 75 O GLY A 5 -3.897 -8.635 -5.046 1.00 0.00 O ATOM 0 H GLY A 5 -7.419 -8.939 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.890 -10.238 -5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.324 -9.315 -6.441 1.00 0.00 H new ATOM 79 N TRP A 6 -5.389 -6.980 -4.788 1.00 0.00 N ATOM 80 CA TRP A 6 -4.394 -6.055 -4.259 1.00 0.00 C ATOM 81 C TRP A 6 -4.147 -6.377 -2.772 1.00 0.00 C ATOM 82 O TRP A 6 -5.098 -6.524 -2.009 1.00 0.00 O ATOM 83 CB TRP A 6 -4.913 -4.644 -4.474 1.00 0.00 C ATOM 84 CG TRP A 6 -4.853 -4.167 -5.889 1.00 0.00 C ATOM 85 CD1 TRP A 6 -5.856 -4.149 -6.789 1.00 0.00 C ATOM 86 CD2 TRP A 6 -3.725 -3.539 -6.543 1.00 0.00 C ATOM 87 NE1 TRP A 6 -5.429 -3.526 -7.943 1.00 0.00 N ATOM 88 CE2 TRP A 6 -4.109 -3.135 -7.852 1.00 0.00 C ATOM 89 CE3 TRP A 6 -2.411 -3.263 -6.136 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -3.224 -2.481 -8.724 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -1.520 -2.610 -6.994 1.00 0.00 C ATOM 92 CH2 TRP A 6 -1.913 -2.217 -8.285 1.00 0.00 C ATOM 0 H TRP A 6 -6.317 -6.580 -4.926 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.436 -6.150 -4.770 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.947 -4.595 -4.132 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.338 -3.960 -3.849 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.842 -4.559 -6.631 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.017 -3.373 -8.763 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -2.084 -3.558 -5.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.543 -2.186 -9.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -0.514 -2.404 -6.659 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -1.213 -1.715 -8.937 1.00 0.00 H new ATOM 103 N GLU A 7 -2.879 -6.445 -2.351 1.00 0.00 N ATOM 104 CA GLU A 7 -2.468 -6.733 -0.969 1.00 0.00 C ATOM 105 C GLU A 7 -1.274 -5.840 -0.560 1.00 0.00 C ATOM 106 O GLU A 7 -0.449 -5.464 -1.395 1.00 0.00 O ATOM 107 CB GLU A 7 -2.138 -8.236 -0.855 1.00 0.00 C ATOM 108 CG GLU A 7 -2.559 -8.863 0.484 1.00 0.00 C ATOM 109 CD GLU A 7 -1.806 -8.256 1.667 1.00 0.00 C ATOM 110 OE1 GLU A 7 -0.633 -8.651 1.855 1.00 0.00 O ATOM 111 OE2 GLU A 7 -2.370 -7.326 2.291 1.00 0.00 O ATOM 0 H GLU A 7 -2.088 -6.298 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.279 -6.503 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.632 -8.770 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.065 -8.374 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.631 -8.724 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.378 -9.937 0.453 1.00 0.00 H new ATOM 118 N LYS A 8 -1.219 -5.448 0.718 1.00 0.00 N ATOM 119 CA LYS A 8 -0.296 -4.464 1.294 1.00 0.00 C ATOM 120 C LYS A 8 1.142 -4.972 1.332 1.00 0.00 C ATOM 121 O LYS A 8 1.400 -6.129 1.654 1.00 0.00 O ATOM 122 CB LYS A 8 -0.786 -4.134 2.709 1.00 0.00 C ATOM 123 CG LYS A 8 -0.039 -2.965 3.372 1.00 0.00 C ATOM 124 CD LYS A 8 -0.485 -2.697 4.821 1.00 0.00 C ATOM 125 CE LYS A 8 -1.866 -2.035 4.929 1.00 0.00 C ATOM 126 NZ LYS A 8 -2.989 -2.996 4.830 1.00 0.00 N ATOM 0 H LYS A 8 -1.854 -5.831 1.418 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.289 -3.573 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.849 -3.896 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.681 -5.020 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.031 -3.175 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.193 -2.063 2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.500 -3.640 5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.253 -2.059 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.933 -1.506 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.966 -1.289 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.651 -2.681 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.620 -3.937 4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.485 -3.045 5.743 1.00 0.00 H new ATOM 140 N ARG A 9 2.090 -4.072 1.065 1.00 0.00 N ATOM 141 CA ARG A 9 3.540 -4.315 1.079 1.00 0.00 C ATOM 142 C ARG A 9 4.274 -3.108 1.677 1.00 0.00 C ATOM 143 O ARG A 9 3.687 -2.044 1.875 1.00 0.00 O ATOM 144 CB ARG A 9 4.032 -4.622 -0.353 1.00 0.00 C ATOM 145 CG ARG A 9 3.475 -5.908 -0.987 1.00 0.00 C ATOM 146 CD ARG A 9 3.857 -7.208 -0.258 1.00 0.00 C ATOM 147 NE ARG A 9 2.664 -7.979 0.145 1.00 0.00 N ATOM 148 CZ ARG A 9 2.263 -9.179 -0.245 1.00 0.00 C ATOM 149 NH1 ARG A 9 2.921 -9.874 -1.145 1.00 0.00 N ATOM 150 NH2 ARG A 9 1.183 -9.719 0.261 1.00 0.00 N ATOM 0 H ARG A 9 1.861 -3.108 0.821 1.00 0.00 H new ATOM 0 HA ARG A 9 3.757 -5.180 1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.773 -3.780 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.120 -4.688 -0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.388 -5.836 -1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.826 -5.970 -2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.483 -7.819 -0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.451 -6.969 0.624 1.00 0.00 H new ATOM 0 HE ARG A 9 2.059 -7.519 0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.768 -9.492 -1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.585 -10.796 -1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.641 -9.215 0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.883 -10.644 -0.047 1.00 0.00 H new ATOM 164 N MET A 10 5.569 -3.275 1.963 1.00 0.00 N ATOM 165 CA MET A 10 6.422 -2.240 2.552 1.00 0.00 C ATOM 166 C MET A 10 7.768 -2.179 1.825 1.00 0.00 C ATOM 167 O MET A 10 8.427 -3.198 1.627 1.00 0.00 O ATOM 168 CB MET A 10 6.595 -2.520 4.053 1.00 0.00 C ATOM 169 CG MET A 10 7.366 -1.397 4.751 1.00 0.00 C ATOM 170 SD MET A 10 7.714 -1.704 6.504 1.00 0.00 S ATOM 171 CE MET A 10 6.132 -1.219 7.237 1.00 0.00 C ATOM 0 H MET A 10 6.062 -4.150 1.788 1.00 0.00 H new ATOM 0 HA MET A 10 5.951 -1.264 2.437 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.616 -2.633 4.518 1.00 0.00 H new ATOM 0 HB3 MET A 10 7.123 -3.464 4.189 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.309 -1.241 4.228 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.796 -0.472 4.663 1.00 0.00 H new ATOM 0 HE1 MET A 10 6.177 -1.348 8.318 1.00 0.00 H new ATOM 0 HE2 MET A 10 5.929 -0.174 7.005 1.00 0.00 H new ATOM 0 HE3 MET A 10 5.336 -1.843 6.830 1.00 0.00 H new ATOM 181 N PHE A 11 8.174 -0.972 1.423 1.00 0.00 N ATOM 182 CA PHE A 11 9.431 -0.716 0.732 1.00 0.00 C ATOM 183 C PHE A 11 10.620 -0.864 1.697 1.00 0.00 C ATOM 184 O PHE A 11 10.917 0.028 2.500 1.00 0.00 O ATOM 185 CB PHE A 11 9.375 0.663 0.061 1.00 0.00 C ATOM 186 CG PHE A 11 10.391 0.838 -1.051 1.00 0.00 C ATOM 187 CD1 PHE A 11 11.745 1.071 -0.745 1.00 0.00 C ATOM 188 CD2 PHE A 11 9.991 0.744 -2.399 1.00 0.00 C ATOM 189 CE1 PHE A 11 12.692 1.213 -1.774 1.00 0.00 C ATOM 190 CE2 PHE A 11 10.937 0.891 -3.429 1.00 0.00 C ATOM 191 CZ PHE A 11 12.288 1.126 -3.116 1.00 0.00 C ATOM 0 H PHE A 11 7.621 -0.128 1.575 1.00 0.00 H new ATOM 0 HA PHE A 11 9.580 -1.457 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.375 0.821 -0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.539 1.432 0.816 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.058 1.141 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.955 0.559 -2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 11 13.730 1.389 -1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.626 0.823 -4.461 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.014 1.239 -3.907 1.00 0.00 H new ATOM 201 N ARG A 12 11.297 -2.018 1.622 1.00 0.00 N ATOM 202 CA ARG A 12 12.514 -2.319 2.389 1.00 0.00 C ATOM 203 C ARG A 12 13.549 -1.185 2.297 1.00 0.00 C ATOM 204 O ARG A 12 13.664 -0.515 1.274 1.00 0.00 O ATOM 205 CB ARG A 12 13.068 -3.694 1.953 1.00 0.00 C ATOM 206 CG ARG A 12 13.589 -3.767 0.503 1.00 0.00 C ATOM 207 CD ARG A 12 15.072 -3.391 0.391 1.00 0.00 C ATOM 208 NE ARG A 12 15.464 -3.139 -1.006 1.00 0.00 N ATOM 209 CZ ARG A 12 16.304 -2.207 -1.444 1.00 0.00 C ATOM 210 NH1 ARG A 12 16.939 -1.380 -0.644 1.00 0.00 N ATOM 211 NH2 ARG A 12 16.530 -2.090 -2.732 1.00 0.00 N ATOM 0 H ARG A 12 11.008 -2.784 1.014 1.00 0.00 H new ATOM 0 HA ARG A 12 12.265 -2.383 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.879 -3.970 2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.282 -4.439 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.444 -4.777 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.000 -3.099 -0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.269 -2.502 0.991 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.684 -4.194 0.802 1.00 0.00 H new ATOM 0 HE ARG A 12 15.046 -3.744 -1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.797 -1.436 0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.574 -0.682 -1.032 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.062 -2.713 -3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.174 -1.377 -3.074 1.00 0.00 H new ATOM 225 N SER A 13 14.313 -0.993 3.374 1.00 0.00 N ATOM 226 CA SER A 13 15.314 0.074 3.563 1.00 0.00 C ATOM 227 C SER A 13 14.748 1.483 3.824 1.00 0.00 C ATOM 228 O SER A 13 15.542 2.358 4.159 1.00 0.00 O ATOM 229 CB SER A 13 16.358 0.129 2.429 1.00 0.00 C ATOM 230 OG SER A 13 16.930 -1.142 2.164 1.00 0.00 O ATOM 0 H SER A 13 14.251 -1.608 4.185 1.00 0.00 H new ATOM 0 HA SER A 13 15.806 -0.228 4.488 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.887 0.510 1.523 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.147 0.832 2.698 1.00 0.00 H new ATOM 0 HG SER A 13 17.889 -1.039 1.991 1.00 0.00 H new ATOM 236 N ASN A 14 13.428 1.725 3.722 1.00 0.00 N ATOM 237 CA ASN A 14 12.836 2.997 4.179 1.00 0.00 C ATOM 238 C ASN A 14 11.479 2.869 4.902 1.00 0.00 C ATOM 239 O ASN A 14 11.153 3.734 5.710 1.00 0.00 O ATOM 240 CB ASN A 14 12.806 4.026 3.031 1.00 0.00 C ATOM 241 CG ASN A 14 11.832 3.712 1.905 1.00 0.00 C ATOM 242 OD1 ASN A 14 10.676 3.368 2.118 1.00 0.00 O ATOM 243 ND2 ASN A 14 12.252 3.859 0.666 1.00 0.00 N ATOM 0 H ASN A 14 12.756 1.064 3.331 1.00 0.00 H new ATOM 0 HA ASN A 14 13.500 3.367 4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.554 5.002 3.446 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.808 4.107 2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.615 3.687 -0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.214 4.145 0.484 1.00 0.00 H new ATOM 250 N GLY A 15 10.713 1.796 4.666 1.00 0.00 N ATOM 251 CA GLY A 15 9.475 1.501 5.393 1.00 0.00 C ATOM 252 C GLY A 15 8.201 2.056 4.746 1.00 0.00 C ATOM 253 O GLY A 15 7.133 1.969 5.348 1.00 0.00 O ATOM 0 H GLY A 15 10.940 1.100 3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.375 0.420 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.558 1.904 6.402 1.00 0.00 H new ATOM 257 N THR A 16 8.289 2.618 3.533 1.00 0.00 N ATOM 258 CA THR A 16 7.137 3.161 2.799 1.00 0.00 C ATOM 259 C THR A 16 6.117 2.058 2.518 1.00 0.00 C ATOM 260 O THR A 16 6.397 1.147 1.739 1.00 0.00 O ATOM 261 CB THR A 16 7.557 3.813 1.469 1.00 0.00 C ATOM 262 OG1 THR A 16 8.570 4.766 1.686 1.00 0.00 O ATOM 263 CG2 THR A 16 6.384 4.527 0.791 1.00 0.00 C ATOM 0 H THR A 16 9.171 2.710 3.028 1.00 0.00 H new ATOM 0 HA THR A 16 6.689 3.929 3.430 1.00 0.00 H new ATOM 0 HB THR A 16 7.914 3.008 0.826 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.447 4.346 1.561 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.721 4.974 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.591 3.808 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.004 5.308 1.450 1.00 0.00 H new ATOM 271 N VAL A 17 4.927 2.136 3.121 1.00 0.00 N ATOM 272 CA VAL A 17 3.861 1.163 2.852 1.00 0.00 C ATOM 273 C VAL A 17 3.158 1.511 1.542 1.00 0.00 C ATOM 274 O VAL A 17 2.909 2.673 1.226 1.00 0.00 O ATOM 275 CB VAL A 17 2.859 1.077 4.019 1.00 0.00 C ATOM 276 CG1 VAL A 17 1.548 0.346 3.688 1.00 0.00 C ATOM 277 CG2 VAL A 17 3.517 0.317 5.177 1.00 0.00 C ATOM 0 H VAL A 17 4.677 2.859 3.796 1.00 0.00 H new ATOM 0 HA VAL A 17 4.315 0.177 2.754 1.00 0.00 H new ATOM 0 HB VAL A 17 2.604 2.108 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.905 0.335 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.039 0.862 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.768 -0.678 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.818 0.249 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.787 -0.686 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.414 0.848 5.498 1.00 0.00 H new ATOM 287 N TYR A 18 2.845 0.459 0.793 1.00 0.00 N ATOM 288 CA TYR A 18 2.214 0.492 -0.522 1.00 0.00 C ATOM 289 C TYR A 18 1.391 -0.790 -0.732 1.00 0.00 C ATOM 290 O TYR A 18 1.206 -1.569 0.207 1.00 0.00 O ATOM 291 CB TYR A 18 3.301 0.713 -1.593 1.00 0.00 C ATOM 292 CG TYR A 18 4.180 -0.478 -1.936 1.00 0.00 C ATOM 293 CD1 TYR A 18 5.238 -0.854 -1.088 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.961 -1.178 -3.139 1.00 0.00 C ATOM 295 CE1 TYR A 18 6.063 -1.943 -1.434 1.00 0.00 C ATOM 296 CE2 TYR A 18 4.773 -2.274 -3.483 1.00 0.00 C ATOM 297 CZ TYR A 18 5.829 -2.657 -2.628 1.00 0.00 C ATOM 298 OH TYR A 18 6.623 -3.712 -2.952 1.00 0.00 O ATOM 0 H TYR A 18 3.036 -0.493 1.105 1.00 0.00 H new ATOM 0 HA TYR A 18 1.513 1.322 -0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 18 2.813 1.049 -2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.946 1.526 -1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.418 -0.309 -0.173 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.165 -0.871 -3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.876 -2.231 -0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.589 -2.820 -4.397 1.00 0.00 H new ATOM 0 HH TYR A 18 6.327 -4.094 -3.805 1.00 0.00 H new ATOM 308 N TYR A 19 0.877 -1.018 -1.942 1.00 0.00 N ATOM 309 CA TYR A 19 0.153 -2.236 -2.302 1.00 0.00 C ATOM 310 C TYR A 19 0.666 -2.867 -3.602 1.00 0.00 C ATOM 311 O TYR A 19 1.186 -2.203 -4.498 1.00 0.00 O ATOM 312 CB TYR A 19 -1.344 -1.923 -2.397 1.00 0.00 C ATOM 313 CG TYR A 19 -2.150 -2.279 -1.165 1.00 0.00 C ATOM 314 CD1 TYR A 19 -2.072 -1.512 0.008 1.00 0.00 C ATOM 315 CD2 TYR A 19 -3.031 -3.365 -1.217 1.00 0.00 C ATOM 316 CE1 TYR A 19 -2.936 -1.781 1.091 1.00 0.00 C ATOM 317 CE2 TYR A 19 -3.887 -3.656 -0.144 1.00 0.00 C ATOM 318 CZ TYR A 19 -3.866 -2.846 1.006 1.00 0.00 C ATOM 319 OH TYR A 19 -4.754 -3.104 2.007 1.00 0.00 O ATOM 0 H TYR A 19 0.954 -0.351 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 19 0.327 -2.974 -1.519 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.466 -0.859 -2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.759 -2.458 -3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.349 -0.714 0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.052 -3.990 -2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.888 -1.175 1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.560 -4.499 -0.201 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.096 -2.259 2.367 1.00 0.00 H new ATOM 329 N PHE A 20 0.447 -4.177 -3.700 1.00 0.00 N ATOM 330 CA PHE A 20 0.893 -5.082 -4.754 1.00 0.00 C ATOM 331 C PHE A 20 -0.286 -5.941 -5.211 1.00 0.00 C ATOM 332 O PHE A 20 -0.974 -6.543 -4.386 1.00 0.00 O ATOM 333 CB PHE A 20 2.026 -5.943 -4.187 1.00 0.00 C ATOM 334 CG PHE A 20 2.493 -7.111 -5.041 1.00 0.00 C ATOM 335 CD1 PHE A 20 3.512 -6.916 -5.991 1.00 0.00 C ATOM 336 CD2 PHE A 20 1.964 -8.405 -4.844 1.00 0.00 C ATOM 337 CE1 PHE A 20 3.981 -7.993 -6.764 1.00 0.00 C ATOM 338 CE2 PHE A 20 2.461 -9.488 -5.595 1.00 0.00 C ATOM 339 CZ PHE A 20 3.458 -9.282 -6.562 1.00 0.00 C ATOM 0 H PHE A 20 -0.090 -4.671 -2.987 1.00 0.00 H new ATOM 0 HA PHE A 20 1.261 -4.532 -5.620 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.883 -5.296 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.704 -6.335 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.937 -5.933 -6.128 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.180 -8.564 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.742 -7.830 -7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.073 -10.482 -5.426 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.822 -10.112 -7.149 1.00 0.00 H new ATOM 349 N ASN A 21 -0.543 -5.990 -6.516 1.00 0.00 N ATOM 350 CA ASN A 21 -1.599 -6.828 -7.064 1.00 0.00 C ATOM 351 C ASN A 21 -1.096 -8.267 -7.198 1.00 0.00 C ATOM 352 O ASN A 21 -0.411 -8.606 -8.160 1.00 0.00 O ATOM 353 CB ASN A 21 -2.098 -6.254 -8.389 1.00 0.00 C ATOM 354 CG ASN A 21 -3.298 -7.044 -8.865 1.00 0.00 C ATOM 355 OD1 ASN A 21 -3.137 -8.077 -9.497 1.00 0.00 O ATOM 356 ND2 ASN A 21 -4.507 -6.617 -8.561 1.00 0.00 N ATOM 0 H ASN A 21 -0.029 -5.454 -7.215 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.452 -6.841 -6.386 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.367 -5.205 -8.264 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.305 -6.293 -9.136 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.325 -7.151 -8.854 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.625 -5.752 -8.033 1.00 0.00 H new ATOM 363 N HIS A 22 -1.458 -9.131 -6.249 1.00 0.00 N ATOM 364 CA HIS A 22 -0.992 -10.515 -6.188 1.00 0.00 C ATOM 365 C HIS A 22 -1.563 -11.429 -7.295 1.00 0.00 C ATOM 366 O HIS A 22 -1.270 -12.626 -7.305 1.00 0.00 O ATOM 367 CB HIS A 22 -1.216 -11.054 -4.761 1.00 0.00 C ATOM 368 CG HIS A 22 -2.560 -11.705 -4.506 1.00 0.00 C ATOM 369 ND1 HIS A 22 -3.020 -12.851 -5.113 1.00 0.00 N ATOM 370 CD2 HIS A 22 -3.520 -11.297 -3.619 1.00 0.00 C ATOM 371 CE1 HIS A 22 -4.239 -13.122 -4.615 1.00 0.00 C ATOM 372 NE2 HIS A 22 -4.585 -12.201 -3.702 1.00 0.00 N ATOM 0 H HIS A 22 -2.093 -8.884 -5.490 1.00 0.00 H new ATOM 0 HA HIS A 22 0.077 -10.522 -6.402 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.434 -11.780 -4.540 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.093 -10.230 -4.058 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -2.524 -13.398 -5.816 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.465 -10.434 -2.972 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.852 -13.961 -4.908 1.00 0.00 H new ATOM 380 N ILE A 23 -2.392 -10.891 -8.201 1.00 0.00 N ATOM 381 CA ILE A 23 -3.010 -11.622 -9.317 1.00 0.00 C ATOM 382 C ILE A 23 -2.275 -11.310 -10.640 1.00 0.00 C ATOM 383 O ILE A 23 -2.249 -12.143 -11.542 1.00 0.00 O ATOM 384 CB ILE A 23 -4.529 -11.299 -9.351 1.00 0.00 C ATOM 385 CG1 ILE A 23 -5.201 -11.660 -7.998 1.00 0.00 C ATOM 386 CG2 ILE A 23 -5.239 -12.036 -10.498 1.00 0.00 C ATOM 387 CD1 ILE A 23 -6.718 -11.421 -7.923 1.00 0.00 C ATOM 0 H ILE A 23 -2.659 -9.907 -8.177 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.913 -12.698 -9.176 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.626 -10.227 -9.522 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.006 -12.711 -7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.721 -11.081 -7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.300 -11.785 -10.490 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.802 -11.734 -11.450 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.119 -13.112 -10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.083 -11.706 -6.936 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.929 -10.366 -8.097 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.219 -12.021 -8.683 1.00 0.00 H new ATOM 399 N THR A 24 -1.637 -10.135 -10.741 1.00 0.00 N ATOM 400 CA THR A 24 -0.931 -9.637 -11.941 1.00 0.00 C ATOM 401 C THR A 24 0.562 -9.355 -11.733 1.00 0.00 C ATOM 402 O THR A 24 1.317 -9.409 -12.701 1.00 0.00 O ATOM 403 CB THR A 24 -1.568 -8.333 -12.447 1.00 0.00 C ATOM 404 OG1 THR A 24 -1.496 -7.363 -11.429 1.00 0.00 O ATOM 405 CG2 THR A 24 -3.040 -8.470 -12.837 1.00 0.00 C ATOM 0 H THR A 24 -1.594 -9.477 -9.963 1.00 0.00 H new ATOM 0 HA THR A 24 -1.026 -10.449 -12.662 1.00 0.00 H new ATOM 0 HB THR A 24 -1.010 -8.054 -13.341 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.831 -7.743 -10.590 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.416 -7.507 -13.183 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.138 -9.206 -13.635 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.617 -8.795 -11.971 1.00 0.00 H new ATOM 413 N ASN A 25 0.979 -9.069 -10.490 1.00 0.00 N ATOM 414 CA ASN A 25 2.283 -8.569 -10.022 1.00 0.00 C ATOM 415 C ASN A 25 2.423 -7.031 -10.103 1.00 0.00 C ATOM 416 O ASN A 25 3.515 -6.514 -9.866 1.00 0.00 O ATOM 417 CB ASN A 25 3.487 -9.303 -10.646 1.00 0.00 C ATOM 418 CG ASN A 25 3.407 -10.815 -10.524 1.00 0.00 C ATOM 419 OD1 ASN A 25 3.823 -11.403 -9.537 1.00 0.00 O ATOM 420 ND2 ASN A 25 2.874 -11.476 -11.532 1.00 0.00 N ATOM 0 H ASN A 25 0.343 -9.196 -9.703 1.00 0.00 H new ATOM 0 HA ASN A 25 2.302 -8.814 -8.960 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.559 -9.035 -11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.402 -8.956 -10.166 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.804 -12.493 -11.495 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.531 -10.971 -12.349 1.00 0.00 H new ATOM 427 N ALA A 26 1.353 -6.284 -10.429 1.00 0.00 N ATOM 428 CA ALA A 26 1.388 -4.814 -10.419 1.00 0.00 C ATOM 429 C ALA A 26 1.639 -4.224 -9.011 1.00 0.00 C ATOM 430 O ALA A 26 1.600 -4.925 -7.998 1.00 0.00 O ATOM 431 CB ALA A 26 0.088 -4.278 -11.037 1.00 0.00 C ATOM 0 H ALA A 26 0.453 -6.677 -10.703 1.00 0.00 H new ATOM 0 HA ALA A 26 2.238 -4.491 -11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.106 -3.188 -11.033 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.002 -4.636 -12.063 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.764 -4.629 -10.454 1.00 0.00 H new ATOM 437 N SER A 27 1.906 -2.915 -8.912 1.00 0.00 N ATOM 438 CA SER A 27 2.071 -2.206 -7.633 1.00 0.00 C ATOM 439 C SER A 27 1.529 -0.773 -7.704 1.00 0.00 C ATOM 440 O SER A 27 1.523 -0.175 -8.780 1.00 0.00 O ATOM 441 CB SER A 27 3.541 -2.212 -7.219 1.00 0.00 C ATOM 442 OG SER A 27 3.882 -3.534 -6.858 1.00 0.00 O ATOM 0 H SER A 27 2.015 -2.310 -9.726 1.00 0.00 H new ATOM 0 HA SER A 27 1.488 -2.732 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.170 -1.865 -8.039 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.705 -1.533 -6.382 1.00 0.00 H new ATOM 0 HG SER A 27 3.083 -4.100 -6.895 1.00 0.00 H new ATOM 448 N GLN A 28 1.088 -0.225 -6.564 1.00 0.00 N ATOM 449 CA GLN A 28 0.609 1.159 -6.436 1.00 0.00 C ATOM 450 C GLN A 28 0.679 1.623 -4.969 1.00 0.00 C ATOM 451 O GLN A 28 0.725 0.800 -4.058 1.00 0.00 O ATOM 452 CB GLN A 28 -0.831 1.252 -6.985 1.00 0.00 C ATOM 453 CG GLN A 28 -1.224 2.688 -7.365 1.00 0.00 C ATOM 454 CD GLN A 28 -2.544 2.741 -8.126 1.00 0.00 C ATOM 455 OE1 GLN A 28 -3.574 3.120 -7.597 1.00 0.00 O ATOM 456 NE2 GLN A 28 -2.557 2.371 -9.394 1.00 0.00 N ATOM 0 H GLN A 28 1.053 -0.742 -5.686 1.00 0.00 H new ATOM 0 HA GLN A 28 1.250 1.821 -7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.925 0.609 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.527 0.874 -6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.303 3.293 -6.461 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.436 3.129 -7.976 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.697 2.053 -9.841 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.427 2.403 -9.926 1.00 0.00 H new ATOM 465 N PHE A 29 0.678 2.941 -4.728 1.00 0.00 N ATOM 466 CA PHE A 29 0.724 3.510 -3.374 1.00 0.00 C ATOM 467 C PHE A 29 -0.661 3.670 -2.721 1.00 0.00 C ATOM 468 O PHE A 29 -0.760 3.618 -1.497 1.00 0.00 O ATOM 469 CB PHE A 29 1.487 4.839 -3.413 1.00 0.00 C ATOM 470 CG PHE A 29 2.859 4.741 -4.061 1.00 0.00 C ATOM 471 CD1 PHE A 29 3.839 3.887 -3.515 1.00 0.00 C ATOM 472 CD2 PHE A 29 3.149 5.471 -5.230 1.00 0.00 C ATOM 473 CE1 PHE A 29 5.096 3.763 -4.132 1.00 0.00 C ATOM 474 CE2 PHE A 29 4.406 5.347 -5.848 1.00 0.00 C ATOM 475 CZ PHE A 29 5.380 4.493 -5.299 1.00 0.00 C ATOM 0 H PHE A 29 0.645 3.643 -5.467 1.00 0.00 H new ATOM 0 HA PHE A 29 1.251 2.799 -2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.891 5.573 -3.955 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.602 5.211 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.623 3.325 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.404 6.128 -5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.843 3.107 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.624 5.908 -6.745 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.345 4.398 -5.774 1.00 0.00 H new ATOM 485 N GLU A 30 -1.731 3.829 -3.514 1.00 0.00 N ATOM 486 CA GLU A 30 -3.109 3.772 -3.011 1.00 0.00 C ATOM 487 C GLU A 30 -3.417 2.355 -2.502 1.00 0.00 C ATOM 488 O GLU A 30 -3.143 1.359 -3.170 1.00 0.00 O ATOM 489 CB GLU A 30 -4.099 4.243 -4.090 1.00 0.00 C ATOM 490 CG GLU A 30 -5.567 3.815 -3.899 1.00 0.00 C ATOM 491 CD GLU A 30 -6.287 4.300 -2.637 1.00 0.00 C ATOM 492 OE1 GLU A 30 -5.672 4.437 -1.557 1.00 0.00 O ATOM 493 OE2 GLU A 30 -7.538 4.376 -2.688 1.00 0.00 O ATOM 0 H GLU A 30 -1.665 4.000 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.221 4.454 -2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.063 5.331 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.756 3.871 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.133 4.161 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.604 2.726 -3.909 1.00 0.00 H new ATOM 500 N ARG A 31 -3.955 2.299 -1.282 1.00 0.00 N ATOM 501 CA ARG A 31 -4.301 1.104 -0.512 1.00 0.00 C ATOM 502 C ARG A 31 -5.750 0.674 -0.800 1.00 0.00 C ATOM 503 O ARG A 31 -6.658 1.282 -0.217 1.00 0.00 O ATOM 504 CB ARG A 31 -4.041 1.439 0.974 1.00 0.00 C ATOM 505 CG ARG A 31 -2.539 1.660 1.272 1.00 0.00 C ATOM 506 CD ARG A 31 -2.237 2.699 2.349 1.00 0.00 C ATOM 507 NE ARG A 31 -2.712 2.287 3.679 1.00 0.00 N ATOM 508 CZ ARG A 31 -2.318 2.727 4.862 1.00 0.00 C ATOM 509 NH1 ARG A 31 -1.414 3.668 5.011 1.00 0.00 N ATOM 510 NH2 ARG A 31 -2.860 2.189 5.922 1.00 0.00 N ATOM 0 H ARG A 31 -4.176 3.152 -0.769 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.690 0.246 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.599 2.336 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.418 0.629 1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.101 0.709 1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.042 1.961 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.162 2.874 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.704 3.646 2.077 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.438 1.571 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.982 4.094 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.144 3.973 5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.562 1.456 5.820 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.582 2.502 6.852 1.00 0.00 H new ATOM 524 N PRO A 32 -6.040 -0.331 -1.662 1.00 0.00 N ATOM 525 CA PRO A 32 -7.418 -0.609 -2.087 1.00 0.00 C ATOM 526 C PRO A 32 -8.375 -1.122 -1.018 1.00 0.00 C ATOM 527 O PRO A 32 -9.588 -0.970 -1.118 1.00 0.00 O ATOM 528 CB PRO A 32 -7.315 -1.568 -3.267 1.00 0.00 C ATOM 529 CG PRO A 32 -5.898 -1.405 -3.762 1.00 0.00 C ATOM 530 CD PRO A 32 -5.146 -1.167 -2.457 1.00 0.00 C ATOM 0 HA PRO A 32 -7.881 0.342 -2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.514 -2.596 -2.962 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.038 -1.321 -4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.541 -2.292 -4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.798 -0.567 -4.452 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.926 -2.106 -1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.192 -0.670 -2.634 1.00 0.00 H new ATOM 538 N SER A 33 -7.766 -1.659 0.022 1.00 0.00 N ATOM 539 CA SER A 33 -8.363 -2.246 1.226 1.00 0.00 C ATOM 540 C SER A 33 -7.836 -1.634 2.536 1.00 0.00 C ATOM 541 O SER A 33 -8.065 -2.200 3.601 1.00 0.00 O ATOM 542 CB SER A 33 -8.206 -3.776 1.192 1.00 0.00 C ATOM 543 OG SER A 33 -6.904 -4.176 0.809 1.00 0.00 O ATOM 0 H SER A 33 -6.748 -1.704 0.057 1.00 0.00 H new ATOM 0 HA SER A 33 -9.425 -2.001 1.216 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.434 -4.184 2.177 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.932 -4.198 0.497 1.00 0.00 H new ATOM 0 HG SER A 33 -6.245 -3.571 1.209 1.00 0.00 H new ATOM 549 N GLY A 34 -7.138 -0.487 2.466 1.00 0.00 N ATOM 550 CA GLY A 34 -6.568 0.199 3.638 1.00 0.00 C ATOM 551 C GLY A 34 -5.190 -0.305 4.055 1.00 0.00 C ATOM 552 O GLY A 34 -4.457 0.481 4.689 1.00 0.00 O ATOM 553 OXT GLY A 34 -4.820 -1.447 3.707 1.00 0.00 O ATOM 0 H GLY A 34 -6.952 -0.006 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.501 1.265 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.253 0.086 4.479 1.00 0.00 H new TER 557 GLY A 34