USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 901 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 90 SER OG : rot -169:sc= -0.334 USER MOD Set 1.2: A 92 ASN :FLIP amide:sc= -1.3 F(o=-3!,f=-1.6) USER MOD Set 2.1: A 75 ASN : amide:sc= -2.96 K(o=-3,f=-3.8!) USER MOD Set 2.2: A 76 SER OG : rot 180:sc= -0.0292 USER MOD Set 3.1: A 5 LYS NZ :NH3+ 165:sc= -0.479 (180deg=-0.115) USER MOD Set 3.2: A 7 HIS :FLIP no HE2:sc= -3.84 F(o=-6,f=-4.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.18) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -0.0082 (180deg=-0.119) USER MOD Single : A 22 MET CE :methyl -176:sc= -1.77! (180deg=-2.04!) USER MOD Single : A 24 SER OG : rot 56:sc= 0.699 USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= -1.49 (180deg=-3.95!) USER MOD Single : A 26 GLN : amide:sc= -6.55! C(o=-6.6!,f=-7!) USER MOD Single : A 28 HIS : no HD1:sc= -3.75! C(o=-3.8!,f=-5.7!) USER MOD Single : A 37 SER OG : rot 96:sc= 0.977 USER MOD Single : A 39 SER OG : rot -46:sc= 0.745 USER MOD Single : A 45 SER OG : rot 130:sc= -0.12 USER MOD Single : A 47 SER OG : rot -170:sc= -1.16! USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 0.31 (180deg=0.308) USER MOD Single : A 52 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.0051) USER MOD Single : A 55 GLN :FLIP amide:sc= -4.89! C(o=-6.1!,f=-4.9!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0406 K(o=-0.041,f=-0.66) USER MOD Single : A 58 LYS NZ :NH3+ 146:sc= -1.53 (180deg=-3.68!) USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= -3.1! (180deg=-7.36!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0991) USER MOD Single : A 78 ASN : amide:sc= -2.07 K(o=-2.1,f=-3!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -5 K(o=-5,f=-7.4!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.51! USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.041 F(o=-1.6!,f=-0.041) USER MOD Single : A 102 GLN :FLIP amide:sc= -10.5! C(o=-15!,f=-11!) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.0377 F(o=-1.8!,f=-0.038) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.901 F(o=-1.8!,f=-0.9) USER MOD Single : A 108 THR OG1 : rot -23:sc= -0.0738 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.114 6.323 10.191 1.00 0.00 N ATOM 2 CA GLY A 1 25.179 6.298 9.073 1.00 0.00 C ATOM 3 C GLY A 1 23.740 6.055 9.535 1.00 0.00 C ATOM 4 O GLY A 1 23.228 6.719 10.428 1.00 0.00 O ATOM 0 H1 GLY A 1 27.077 6.490 9.835 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.850 7.086 10.847 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.083 5.411 10.690 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.232 7.244 8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.472 5.516 8.373 1.00 0.00 H new ATOM 10 N ILE A 2 23.138 5.055 8.864 1.00 0.00 N ATOM 11 CA ILE A 2 21.765 4.702 9.181 1.00 0.00 C ATOM 12 C ILE A 2 20.939 5.960 9.467 1.00 0.00 C ATOM 13 O ILE A 2 20.924 6.498 10.568 1.00 0.00 O ATOM 14 CB ILE A 2 21.729 3.730 10.365 1.00 0.00 C ATOM 15 CG1 ILE A 2 20.288 3.346 10.703 1.00 0.00 C ATOM 16 CG2 ILE A 2 22.442 4.300 11.593 1.00 0.00 C ATOM 17 CD1 ILE A 2 20.225 2.268 11.786 1.00 0.00 C ATOM 0 H ILE A 2 23.572 4.501 8.126 1.00 0.00 H new ATOM 0 HA ILE A 2 21.321 4.203 8.320 1.00 0.00 H new ATOM 0 HB ILE A 2 22.268 2.831 10.066 1.00 0.00 H new ATOM 0 HG12 ILE A 2 19.746 4.230 11.039 1.00 0.00 H new ATOM 0 HG13 ILE A 2 19.787 2.987 9.804 1.00 0.00 H new ATOM 0 HG21 ILE A 2 22.393 3.579 12.409 1.00 0.00 H new ATOM 0 HG22 ILE A 2 23.485 4.500 11.348 1.00 0.00 H new ATOM 0 HG23 ILE A 2 21.956 5.227 11.898 1.00 0.00 H new ATOM 0 HD11 ILE A 2 19.184 2.024 11.996 1.00 0.00 H new ATOM 0 HD12 ILE A 2 20.744 1.374 11.440 1.00 0.00 H new ATOM 0 HD13 ILE A 2 20.702 2.636 12.694 1.00 0.00 H new ATOM 29 N GLU A 3 20.243 6.380 8.396 1.00 0.00 N ATOM 30 CA GLU A 3 19.421 7.567 8.531 1.00 0.00 C ATOM 31 C GLU A 3 18.261 7.290 9.491 1.00 0.00 C ATOM 32 O GLU A 3 17.204 6.809 9.105 1.00 0.00 O ATOM 33 CB GLU A 3 18.880 7.972 7.160 1.00 0.00 C ATOM 34 CG GLU A 3 20.004 8.273 6.169 1.00 0.00 C ATOM 35 CD GLU A 3 19.412 8.668 4.814 1.00 0.00 C ATOM 36 OE1 GLU A 3 18.332 9.254 4.794 1.00 0.00 O ATOM 37 OE2 GLU A 3 20.037 8.379 3.794 1.00 0.00 O ATOM 0 H GLU A 3 20.238 5.935 7.478 1.00 0.00 H new ATOM 0 HA GLU A 3 20.025 8.381 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 3 18.254 7.172 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.244 8.851 7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 3 20.631 9.079 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.644 7.398 6.055 1.00 0.00 H new ATOM 44 N MET A 4 18.532 7.637 10.762 1.00 0.00 N ATOM 45 CA MET A 4 17.516 7.420 11.768 1.00 0.00 C ATOM 46 C MET A 4 16.673 8.687 11.937 1.00 0.00 C ATOM 47 O MET A 4 17.142 9.716 12.407 1.00 0.00 O ATOM 48 CB MET A 4 18.207 7.075 13.083 1.00 0.00 C ATOM 49 CG MET A 4 18.969 5.752 13.000 1.00 0.00 C ATOM 50 SD MET A 4 17.871 4.385 12.591 1.00 0.00 S ATOM 51 CE MET A 4 17.441 3.897 14.269 1.00 0.00 C ATOM 0 H MET A 4 19.405 8.048 11.092 1.00 0.00 H new ATOM 0 HA MET A 4 16.859 6.604 11.467 1.00 0.00 H new ATOM 0 HB2 MET A 4 18.898 7.875 13.350 1.00 0.00 H new ATOM 0 HB3 MET A 4 17.464 7.016 13.878 1.00 0.00 H new ATOM 0 HG2 MET A 4 19.753 5.829 12.247 1.00 0.00 H new ATOM 0 HG3 MET A 4 19.461 5.553 13.952 1.00 0.00 H new ATOM 0 HE1 MET A 4 16.756 3.050 14.237 1.00 0.00 H new ATOM 0 HE2 MET A 4 18.345 3.613 14.808 1.00 0.00 H new ATOM 0 HE3 MET A 4 16.962 4.732 14.779 1.00 0.00 H new ATOM 61 N LYS A 5 15.400 8.532 11.534 1.00 0.00 N ATOM 62 CA LYS A 5 14.489 9.645 11.707 1.00 0.00 C ATOM 63 C LYS A 5 13.092 9.237 11.235 1.00 0.00 C ATOM 64 O LYS A 5 12.926 8.355 10.400 1.00 0.00 O ATOM 65 CB LYS A 5 14.975 10.847 10.895 1.00 0.00 C ATOM 66 CG LYS A 5 14.717 10.654 9.402 1.00 0.00 C ATOM 67 CD LYS A 5 15.258 11.819 8.573 1.00 0.00 C ATOM 68 CE LYS A 5 14.993 11.628 7.079 1.00 0.00 C ATOM 69 NZ LYS A 5 15.704 10.478 6.534 1.00 0.00 N ATOM 0 H LYS A 5 15.007 7.692 11.111 1.00 0.00 H new ATOM 0 HA LYS A 5 14.452 9.919 12.761 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.469 11.749 11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.041 10.995 11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.183 9.726 9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.646 10.553 9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.796 12.748 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.330 11.917 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.923 11.502 6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.294 12.527 6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.308 10.234 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.712 10.710 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.599 9.668 7.178 1.00 0.00 H new ATOM 83 N PRO A 6 12.091 9.933 11.816 1.00 0.00 N ATOM 84 CA PRO A 6 10.695 9.741 11.454 1.00 0.00 C ATOM 85 C PRO A 6 10.443 9.721 9.944 1.00 0.00 C ATOM 86 O PRO A 6 10.680 10.692 9.237 1.00 0.00 O ATOM 87 CB PRO A 6 9.995 10.948 12.077 1.00 0.00 C ATOM 88 CG PRO A 6 10.890 11.370 13.246 1.00 0.00 C ATOM 89 CD PRO A 6 12.303 10.954 12.832 1.00 0.00 C ATOM 0 HA PRO A 6 10.336 8.773 11.805 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.884 11.756 11.354 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.994 10.689 12.421 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.830 12.444 13.421 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.589 10.879 14.171 1.00 0.00 H new ATOM 0 HD2 PRO A 6 12.867 11.799 12.436 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.867 10.563 13.679 1.00 0.00 H new ATOM 97 N HIS A 7 9.927 8.554 9.514 1.00 0.00 N ATOM 98 CA HIS A 7 9.533 8.425 8.119 1.00 0.00 C ATOM 99 C HIS A 7 9.070 6.996 7.829 1.00 0.00 C ATOM 100 O HIS A 7 9.764 6.188 7.225 1.00 0.00 O ATOM 101 CB HIS A 7 10.650 8.848 7.162 1.00 0.00 C ATOM 102 CG HIS A 7 11.953 8.153 7.491 1.00 0.00 C ATOM 103 ND1 HIS A 7 12.138 6.969 8.223 1.00 0.00 N flip ATOM 104 CD2 HIS A 7 13.165 8.610 7.109 1.00 0.00 C flip ATOM 105 CE1 HIS A 7 13.468 6.729 8.271 1.00 0.00 C flip ATOM 106 NE2 HIS A 7 14.059 7.731 7.594 1.00 0.00 N flip ATOM 0 H HIS A 7 9.782 7.726 10.092 1.00 0.00 H new ATOM 0 HA HIS A 7 8.699 9.105 7.947 1.00 0.00 H new ATOM 0 HB2 HIS A 7 10.361 8.615 6.137 1.00 0.00 H new ATOM 0 HB3 HIS A 7 10.788 9.928 7.217 1.00 0.00 H new ATOM 0 HD1 HIS A 7 11.405 6.396 8.641 1.00 0.00 H new ATOM 0 HD2 HIS A 7 13.373 9.499 6.532 1.00 0.00 H new ATOM 0 HE1 HIS A 7 13.959 5.898 8.756 1.00 0.00 H new ATOM 114 N PRO A 8 7.828 6.752 8.295 1.00 0.00 N ATOM 115 CA PRO A 8 7.140 5.479 8.124 1.00 0.00 C ATOM 116 C PRO A 8 7.250 4.897 6.702 1.00 0.00 C ATOM 117 O PRO A 8 8.339 4.665 6.191 1.00 0.00 O ATOM 118 CB PRO A 8 5.697 5.800 8.545 1.00 0.00 C ATOM 119 CG PRO A 8 5.817 6.994 9.496 1.00 0.00 C ATOM 120 CD PRO A 8 7.056 7.752 9.016 1.00 0.00 C ATOM 0 HA PRO A 8 7.585 4.685 8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.079 6.044 7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.231 4.947 9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.928 7.623 9.455 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.929 6.667 10.530 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.786 8.588 8.371 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.620 8.164 9.853 1.00 0.00 H new ATOM 128 N TRP A 9 6.064 4.671 6.104 1.00 0.00 N ATOM 129 CA TRP A 9 6.023 4.065 4.777 1.00 0.00 C ATOM 130 C TRP A 9 5.069 4.823 3.842 1.00 0.00 C ATOM 131 O TRP A 9 4.430 4.237 2.977 1.00 0.00 O ATOM 132 CB TRP A 9 5.651 2.565 4.817 1.00 0.00 C ATOM 133 CG TRP A 9 4.604 2.209 5.861 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.800 1.276 6.886 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.268 2.735 6.031 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.696 1.193 7.668 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.717 2.059 7.205 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.483 3.687 5.333 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.408 2.355 7.652 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.150 3.993 5.785 1.00 0.00 C ATOM 141 CH2 TRP A 9 0.612 3.326 6.946 1.00 0.00 C ATOM 0 H TRP A 9 5.155 4.893 6.509 1.00 0.00 H new ATOM 0 HA TRP A 9 7.036 4.140 4.381 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.284 2.267 3.835 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.553 1.984 5.010 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.704 0.703 7.033 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.599 0.582 8.479 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.885 4.183 4.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.006 1.854 8.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.554 4.721 5.255 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.387 3.555 7.286 1.00 0.00 H new ATOM 152 N PHE A 10 5.004 6.151 4.066 1.00 0.00 N ATOM 153 CA PHE A 10 4.113 6.931 3.228 1.00 0.00 C ATOM 154 C PHE A 10 4.858 7.415 1.982 1.00 0.00 C ATOM 155 O PHE A 10 5.853 8.125 2.058 1.00 0.00 O ATOM 156 CB PHE A 10 3.582 8.136 4.005 1.00 0.00 C ATOM 157 CG PHE A 10 2.801 7.718 5.215 1.00 0.00 C ATOM 158 CD1 PHE A 10 1.395 7.426 5.107 1.00 0.00 C ATOM 159 CD2 PHE A 10 3.452 7.607 6.495 1.00 0.00 C ATOM 160 CE1 PHE A 10 0.643 7.029 6.268 1.00 0.00 C ATOM 161 CE2 PHE A 10 2.703 7.209 7.659 1.00 0.00 C ATOM 162 CZ PHE A 10 1.299 6.920 7.544 1.00 0.00 C ATOM 0 H PHE A 10 5.526 6.666 4.775 1.00 0.00 H new ATOM 0 HA PHE A 10 3.276 6.302 2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.416 8.767 4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.949 8.738 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.902 7.505 4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.507 7.823 6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.412 6.813 6.182 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.195 7.128 8.617 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.736 6.621 8.416 1.00 0.00 H new ATOM 172 N PHE A 11 4.295 6.992 0.837 1.00 0.00 N ATOM 173 CA PHE A 11 4.843 7.462 -0.421 1.00 0.00 C ATOM 174 C PHE A 11 3.891 8.508 -1.008 1.00 0.00 C ATOM 175 O PHE A 11 2.940 8.202 -1.716 1.00 0.00 O ATOM 176 CB PHE A 11 5.037 6.276 -1.370 1.00 0.00 C ATOM 177 CG PHE A 11 6.176 5.408 -0.920 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.123 4.728 0.348 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.337 5.255 -1.759 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.222 3.903 0.777 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.437 4.431 -1.333 1.00 0.00 C ATOM 182 CZ PHE A 11 8.378 3.756 -0.064 1.00 0.00 C ATOM 0 H PHE A 11 3.500 6.357 0.767 1.00 0.00 H new ATOM 0 HA PHE A 11 5.818 7.926 -0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.121 5.687 -1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.230 6.641 -2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.254 4.837 0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.382 5.761 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.178 3.395 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.306 4.319 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.203 3.138 0.257 1.00 0.00 H new ATOM 192 N GLY A 12 4.217 9.762 -0.643 1.00 0.00 N ATOM 193 CA GLY A 12 3.320 10.848 -0.993 1.00 0.00 C ATOM 194 C GLY A 12 3.054 10.895 -2.498 1.00 0.00 C ATOM 195 O GLY A 12 3.951 11.058 -3.315 1.00 0.00 O ATOM 0 H GLY A 12 5.057 10.029 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.377 10.728 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.751 11.795 -0.669 1.00 0.00 H new ATOM 199 N LYS A 13 1.744 10.756 -2.774 1.00 0.00 N ATOM 200 CA LYS A 13 1.239 10.845 -4.133 1.00 0.00 C ATOM 201 C LYS A 13 2.293 10.402 -5.150 1.00 0.00 C ATOM 202 O LYS A 13 2.502 11.032 -6.180 1.00 0.00 O ATOM 203 CB LYS A 13 0.791 12.279 -4.407 1.00 0.00 C ATOM 204 CG LYS A 13 1.926 13.279 -4.194 1.00 0.00 C ATOM 205 CD LYS A 13 1.433 14.719 -4.306 1.00 0.00 C ATOM 206 CE LYS A 13 0.436 15.067 -3.200 1.00 0.00 C ATOM 207 NZ LYS A 13 -0.020 16.450 -3.279 1.00 0.00 N ATOM 0 H LYS A 13 1.028 10.583 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 13 0.388 10.172 -4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.426 12.356 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.043 12.531 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.371 13.121 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.710 13.104 -4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.283 15.399 -4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.963 14.868 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.423 14.399 -3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.900 14.895 -2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.406 16.741 -2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.780 17.066 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.759 16.531 -4.006 1.00 0.00 H new ATOM 221 N ILE A 14 2.932 9.274 -4.794 1.00 0.00 N ATOM 222 CA ILE A 14 3.899 8.726 -5.721 1.00 0.00 C ATOM 223 C ILE A 14 3.169 8.326 -7.011 1.00 0.00 C ATOM 224 O ILE A 14 2.142 7.660 -6.975 1.00 0.00 O ATOM 225 CB ILE A 14 4.557 7.500 -5.087 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.784 7.066 -5.886 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.550 6.357 -4.963 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.929 8.068 -5.729 1.00 0.00 C ATOM 0 H ILE A 14 2.800 8.760 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 14 4.668 9.463 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 14 4.891 7.769 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.110 6.082 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.521 6.973 -6.940 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.035 5.492 -4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.715 6.674 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.181 6.089 -5.953 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.789 7.732 -6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.609 9.046 -6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.207 8.141 -4.678 1.00 0.00 H new ATOM 240 N PRO A 15 3.739 8.765 -8.157 1.00 0.00 N ATOM 241 CA PRO A 15 3.168 8.462 -9.460 1.00 0.00 C ATOM 242 C PRO A 15 2.752 6.997 -9.601 1.00 0.00 C ATOM 243 O PRO A 15 3.550 6.080 -9.457 1.00 0.00 O ATOM 244 CB PRO A 15 4.283 8.813 -10.444 1.00 0.00 C ATOM 245 CG PRO A 15 5.137 9.855 -9.713 1.00 0.00 C ATOM 246 CD PRO A 15 4.971 9.540 -8.225 1.00 0.00 C ATOM 0 HA PRO A 15 2.250 9.023 -9.632 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.871 7.933 -10.706 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.879 9.214 -11.373 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.182 9.789 -10.015 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.803 10.867 -9.941 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.819 8.973 -7.841 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.901 10.451 -7.631 1.00 0.00 H new ATOM 254 N ARG A 16 1.445 6.852 -9.886 1.00 0.00 N ATOM 255 CA ARG A 16 0.890 5.513 -9.988 1.00 0.00 C ATOM 256 C ARG A 16 1.879 4.564 -10.676 1.00 0.00 C ATOM 257 O ARG A 16 2.048 3.416 -10.282 1.00 0.00 O ATOM 258 CB ARG A 16 -0.419 5.558 -10.775 1.00 0.00 C ATOM 259 CG ARG A 16 -1.066 4.176 -10.882 1.00 0.00 C ATOM 260 CD ARG A 16 -2.368 4.214 -11.684 1.00 0.00 C ATOM 261 NE ARG A 16 -3.320 5.106 -11.050 1.00 0.00 N ATOM 262 CZ ARG A 16 -3.272 6.420 -11.341 1.00 0.00 C ATOM 263 NH1 ARG A 16 -2.367 6.885 -12.198 1.00 0.00 N ATOM 264 NH2 ARG A 16 -4.135 7.257 -10.771 1.00 0.00 N ATOM 0 H ARG A 16 0.787 7.616 -10.042 1.00 0.00 H new ATOM 0 HA ARG A 16 0.698 5.139 -8.982 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.111 6.247 -10.290 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.229 5.949 -11.775 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.369 3.485 -11.355 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.267 3.791 -9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.167 4.548 -12.702 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.789 3.211 -11.755 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.014 4.744 -10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.705 6.245 -12.638 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.335 7.881 -12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.831 6.903 -10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.100 8.253 -10.990 1.00 0.00 H new ATOM 278 N ALA A 17 2.520 5.122 -11.718 1.00 0.00 N ATOM 279 CA ALA A 17 3.488 4.312 -12.433 1.00 0.00 C ATOM 280 C ALA A 17 4.645 3.951 -11.500 1.00 0.00 C ATOM 281 O ALA A 17 4.928 2.788 -11.239 1.00 0.00 O ATOM 282 CB ALA A 17 4.010 5.083 -13.645 1.00 0.00 C ATOM 0 H ALA A 17 2.390 6.074 -12.060 1.00 0.00 H new ATOM 0 HA ALA A 17 3.010 3.395 -12.777 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.737 4.472 -14.180 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.179 5.323 -14.309 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.486 6.005 -13.312 1.00 0.00 H new ATOM 288 N LYS A 18 5.289 5.031 -11.022 1.00 0.00 N ATOM 289 CA LYS A 18 6.429 4.822 -10.150 1.00 0.00 C ATOM 290 C LYS A 18 6.109 3.745 -9.112 1.00 0.00 C ATOM 291 O LYS A 18 6.853 2.789 -8.925 1.00 0.00 O ATOM 292 CB LYS A 18 6.796 6.133 -9.456 1.00 0.00 C ATOM 293 CG LYS A 18 8.073 5.983 -8.633 1.00 0.00 C ATOM 294 CD LYS A 18 9.292 5.716 -9.516 1.00 0.00 C ATOM 295 CE LYS A 18 10.573 5.583 -8.697 1.00 0.00 C ATOM 296 NZ LYS A 18 10.925 6.821 -8.010 1.00 0.00 N ATOM 0 H LYS A 18 5.048 6.003 -11.218 1.00 0.00 H new ATOM 0 HA LYS A 18 7.277 4.487 -10.747 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.931 6.917 -10.201 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.977 6.446 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.238 6.889 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.953 5.165 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.132 4.803 -10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.404 6.528 -10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.451 4.786 -7.964 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.392 5.290 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.881 6.736 -7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.902 7.611 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.243 7.000 -7.245 1.00 0.00 H new ATOM 310 N ALA A 19 4.954 3.961 -8.454 1.00 0.00 N ATOM 311 CA ALA A 19 4.563 3.009 -7.431 1.00 0.00 C ATOM 312 C ALA A 19 4.754 1.585 -7.948 1.00 0.00 C ATOM 313 O ALA A 19 5.315 0.724 -7.281 1.00 0.00 O ATOM 314 CB ALA A 19 3.097 3.221 -7.048 1.00 0.00 C ATOM 0 H ALA A 19 4.317 4.742 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 19 5.188 3.162 -6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.814 2.501 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.964 4.233 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.467 3.080 -7.927 1.00 0.00 H new ATOM 320 N GLU A 20 4.252 1.406 -9.182 1.00 0.00 N ATOM 321 CA GLU A 20 4.343 0.085 -9.770 1.00 0.00 C ATOM 322 C GLU A 20 5.808 -0.313 -9.944 1.00 0.00 C ATOM 323 O GLU A 20 6.223 -1.419 -9.622 1.00 0.00 O ATOM 324 CB GLU A 20 3.649 0.079 -11.133 1.00 0.00 C ATOM 325 CG GLU A 20 2.143 0.317 -11.010 1.00 0.00 C ATOM 326 CD GLU A 20 1.502 0.320 -12.400 1.00 0.00 C ATOM 327 OE1 GLU A 20 2.171 0.712 -13.354 1.00 0.00 O ATOM 328 OE2 GLU A 20 0.343 -0.076 -12.511 1.00 0.00 O ATOM 0 H GLU A 20 3.806 2.123 -9.754 1.00 0.00 H new ATOM 0 HA GLU A 20 3.855 -0.630 -9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.087 0.850 -11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.826 -0.877 -11.626 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.692 -0.461 -10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.956 1.268 -10.511 1.00 0.00 H new ATOM 335 N GLU A 21 6.550 0.666 -10.489 1.00 0.00 N ATOM 336 CA GLU A 21 7.926 0.374 -10.837 1.00 0.00 C ATOM 337 C GLU A 21 8.723 -0.030 -9.594 1.00 0.00 C ATOM 338 O GLU A 21 9.005 -1.199 -9.360 1.00 0.00 O ATOM 339 CB GLU A 21 8.544 1.596 -11.514 1.00 0.00 C ATOM 340 CG GLU A 21 7.701 2.049 -12.707 1.00 0.00 C ATOM 341 CD GLU A 21 8.406 3.190 -13.442 1.00 0.00 C ATOM 342 OE1 GLU A 21 9.636 3.192 -13.482 1.00 0.00 O ATOM 343 OE2 GLU A 21 7.718 4.067 -13.963 1.00 0.00 O ATOM 0 H GLU A 21 6.231 1.615 -10.685 1.00 0.00 H new ATOM 0 HA GLU A 21 7.954 -0.466 -11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.629 2.410 -10.794 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.554 1.359 -11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.539 1.213 -13.387 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.719 2.377 -12.366 1.00 0.00 H new ATOM 350 N MET A 22 9.082 1.016 -8.828 1.00 0.00 N ATOM 351 CA MET A 22 9.908 0.758 -7.662 1.00 0.00 C ATOM 352 C MET A 22 9.403 -0.472 -6.895 1.00 0.00 C ATOM 353 O MET A 22 10.180 -1.274 -6.389 1.00 0.00 O ATOM 354 CB MET A 22 9.912 1.985 -6.750 1.00 0.00 C ATOM 355 CG MET A 22 8.519 2.295 -6.201 1.00 0.00 C ATOM 356 SD MET A 22 8.515 3.784 -5.186 1.00 0.00 S ATOM 357 CE MET A 22 10.274 3.856 -4.807 1.00 0.00 C ATOM 0 H MET A 22 8.826 1.990 -8.990 1.00 0.00 H new ATOM 0 HA MET A 22 10.926 0.555 -7.995 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.600 1.818 -5.921 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.284 2.847 -7.304 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.821 2.418 -7.029 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.166 1.451 -5.609 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.465 4.681 -4.121 1.00 0.00 H new ATOM 0 HE2 MET A 22 10.585 2.919 -4.344 1.00 0.00 H new ATOM 0 HE3 MET A 22 10.838 4.011 -5.727 1.00 0.00 H new ATOM 367 N LEU A 23 8.062 -0.567 -6.840 1.00 0.00 N ATOM 368 CA LEU A 23 7.482 -1.656 -6.071 1.00 0.00 C ATOM 369 C LEU A 23 7.681 -3.011 -6.769 1.00 0.00 C ATOM 370 O LEU A 23 7.842 -4.040 -6.125 1.00 0.00 O ATOM 371 CB LEU A 23 5.995 -1.383 -5.851 1.00 0.00 C ATOM 372 CG LEU A 23 5.333 -2.416 -4.939 1.00 0.00 C ATOM 373 CD1 LEU A 23 6.090 -2.547 -3.618 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.881 -2.021 -4.672 1.00 0.00 C ATOM 0 H LEU A 23 7.401 0.063 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 23 7.992 -1.709 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.872 -0.390 -5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.485 -1.375 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 23 5.358 -3.382 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.598 -3.288 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.115 -2.862 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.098 -1.585 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.416 -2.762 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.853 -1.045 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.337 -1.974 -5.616 1.00 0.00 H new ATOM 386 N SER A 24 7.664 -2.951 -8.115 1.00 0.00 N ATOM 387 CA SER A 24 7.866 -4.188 -8.854 1.00 0.00 C ATOM 388 C SER A 24 9.316 -4.695 -8.740 1.00 0.00 C ATOM 389 O SER A 24 9.578 -5.889 -8.828 1.00 0.00 O ATOM 390 CB SER A 24 7.508 -3.974 -10.326 1.00 0.00 C ATOM 391 OG SER A 24 6.164 -3.585 -10.459 1.00 0.00 O ATOM 0 H SER A 24 7.521 -2.110 -8.674 1.00 0.00 H new ATOM 0 HA SER A 24 7.214 -4.945 -8.418 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.157 -3.211 -10.756 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.683 -4.893 -10.885 1.00 0.00 H new ATOM 0 HG SER A 24 6.002 -2.780 -9.924 1.00 0.00 H new ATOM 397 N LYS A 25 10.235 -3.728 -8.542 1.00 0.00 N ATOM 398 CA LYS A 25 11.633 -4.090 -8.416 1.00 0.00 C ATOM 399 C LYS A 25 11.910 -4.668 -7.022 1.00 0.00 C ATOM 400 O LYS A 25 12.905 -4.355 -6.380 1.00 0.00 O ATOM 401 CB LYS A 25 12.479 -2.838 -8.644 1.00 0.00 C ATOM 402 CG LYS A 25 12.087 -2.131 -9.943 1.00 0.00 C ATOM 403 CD LYS A 25 12.750 -0.762 -10.089 1.00 0.00 C ATOM 404 CE LYS A 25 14.244 -0.861 -10.400 1.00 0.00 C ATOM 405 NZ LYS A 25 15.024 -1.363 -9.275 1.00 0.00 N ATOM 0 H LYS A 25 10.032 -2.731 -8.470 1.00 0.00 H new ATOM 0 HA LYS A 25 11.886 -4.851 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.355 -2.155 -7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.534 -3.111 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.364 -2.757 -10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.004 -2.012 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.254 -0.205 -10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.611 -0.195 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.389 -1.517 -11.258 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.617 0.123 -10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.919 -0.837 -9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.484 -1.238 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.226 -2.373 -9.416 1.00 0.00 H new ATOM 419 N GLN A 26 10.955 -5.517 -6.599 1.00 0.00 N ATOM 420 CA GLN A 26 11.052 -6.075 -5.265 1.00 0.00 C ATOM 421 C GLN A 26 11.323 -7.575 -5.339 1.00 0.00 C ATOM 422 O GLN A 26 10.740 -8.314 -6.124 1.00 0.00 O ATOM 423 CB GLN A 26 9.761 -5.782 -4.502 1.00 0.00 C ATOM 424 CG GLN A 26 9.673 -4.305 -4.127 1.00 0.00 C ATOM 425 CD GLN A 26 10.705 -3.975 -3.046 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.684 -4.682 -2.844 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.400 -2.861 -2.358 1.00 0.00 N ATOM 0 H GLN A 26 10.146 -5.814 -7.144 1.00 0.00 H new ATOM 0 HA GLN A 26 11.884 -5.615 -4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.902 -6.058 -5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.720 -6.393 -3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.847 -3.687 -5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.671 -4.072 -3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.562 -2.330 -2.593 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.007 -2.547 -1.601 1.00 0.00 H new ATOM 436 N ARG A 27 12.269 -7.952 -4.461 1.00 0.00 N ATOM 437 CA ARG A 27 12.702 -9.335 -4.415 1.00 0.00 C ATOM 438 C ARG A 27 11.509 -10.274 -4.615 1.00 0.00 C ATOM 439 O ARG A 27 11.230 -10.733 -5.716 1.00 0.00 O ATOM 440 CB ARG A 27 13.386 -9.606 -3.073 1.00 0.00 C ATOM 441 CG ARG A 27 14.584 -8.683 -2.846 1.00 0.00 C ATOM 442 CD ARG A 27 15.186 -8.865 -1.451 1.00 0.00 C ATOM 443 NE ARG A 27 15.642 -10.231 -1.275 1.00 0.00 N ATOM 444 CZ ARG A 27 16.881 -10.560 -1.687 1.00 0.00 C ATOM 445 NH1 ARG A 27 17.669 -9.645 -2.244 1.00 0.00 N ATOM 446 NH2 ARG A 27 17.318 -11.806 -1.536 1.00 0.00 N ATOM 0 H ARG A 27 12.729 -7.330 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 27 13.413 -9.519 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.666 -9.472 -2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.716 -10.644 -3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.346 -8.884 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.274 -7.646 -2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.019 -8.176 -1.314 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.443 -8.622 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 27 15.035 -10.930 -0.847 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.336 -8.688 -2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.607 -9.900 -2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.715 -12.510 -1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.256 -12.059 -1.847 1.00 0.00 H new ATOM 460 N HIS A 28 10.854 -10.528 -3.465 1.00 0.00 N ATOM 461 CA HIS A 28 9.749 -11.471 -3.377 1.00 0.00 C ATOM 462 C HIS A 28 9.538 -11.814 -1.905 1.00 0.00 C ATOM 463 O HIS A 28 10.421 -12.374 -1.267 1.00 0.00 O ATOM 464 CB HIS A 28 10.053 -12.770 -4.128 1.00 0.00 C ATOM 465 CG HIS A 28 9.458 -12.729 -5.517 1.00 0.00 C ATOM 466 ND1 HIS A 28 8.369 -12.003 -5.852 1.00 0.00 N ATOM 467 CD2 HIS A 28 9.909 -13.408 -6.662 1.00 0.00 C ATOM 468 CE1 HIS A 28 8.165 -12.234 -7.161 1.00 0.00 C ATOM 469 NE2 HIS A 28 9.078 -13.077 -7.677 1.00 0.00 N ATOM 0 H HIS A 28 11.085 -10.080 -2.578 1.00 0.00 H new ATOM 0 HA HIS A 28 8.866 -11.013 -3.823 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.131 -12.916 -4.192 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.648 -13.619 -3.577 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.760 -14.070 -6.721 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.361 -11.794 -7.732 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.133 -13.402 -8.642 1.00 0.00 H new ATOM 477 N ASP A 29 8.344 -11.466 -1.380 1.00 0.00 N ATOM 478 CA ASP A 29 7.262 -10.801 -2.087 1.00 0.00 C ATOM 479 C ASP A 29 6.246 -10.303 -1.059 1.00 0.00 C ATOM 480 O ASP A 29 5.896 -10.997 -0.113 1.00 0.00 O ATOM 481 CB ASP A 29 6.586 -11.783 -3.048 1.00 0.00 C ATOM 482 CG ASP A 29 5.489 -11.068 -3.839 1.00 0.00 C ATOM 483 OD1 ASP A 29 5.793 -10.522 -4.899 1.00 0.00 O ATOM 484 OD2 ASP A 29 4.345 -11.072 -3.389 1.00 0.00 O ATOM 0 H ASP A 29 8.111 -11.656 -0.405 1.00 0.00 H new ATOM 0 HA ASP A 29 7.654 -9.963 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.324 -12.202 -3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.159 -12.616 -2.489 1.00 0.00 H new ATOM 489 N GLY A 30 5.817 -9.050 -1.294 1.00 0.00 N ATOM 490 CA GLY A 30 4.926 -8.456 -0.313 1.00 0.00 C ATOM 491 C GLY A 30 5.242 -6.974 -0.015 1.00 0.00 C ATOM 492 O GLY A 30 4.470 -6.293 0.648 1.00 0.00 O ATOM 0 H GLY A 30 6.058 -8.472 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.899 -8.536 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.986 -9.026 0.614 1.00 0.00 H new ATOM 496 N ALA A 31 6.400 -6.509 -0.530 1.00 0.00 N ATOM 497 CA ALA A 31 6.747 -5.118 -0.302 1.00 0.00 C ATOM 498 C ALA A 31 5.524 -4.244 -0.581 1.00 0.00 C ATOM 499 O ALA A 31 4.720 -4.535 -1.458 1.00 0.00 O ATOM 500 CB ALA A 31 7.900 -4.723 -1.221 1.00 0.00 C ATOM 0 H ALA A 31 7.069 -7.053 -1.076 1.00 0.00 H new ATOM 0 HA ALA A 31 7.059 -4.978 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.160 -3.679 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.765 -5.352 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.599 -4.856 -2.260 1.00 0.00 H new ATOM 506 N PHE A 32 5.417 -3.176 0.229 1.00 0.00 N ATOM 507 CA PHE A 32 4.204 -2.394 0.088 1.00 0.00 C ATOM 508 C PHE A 32 4.458 -0.913 0.372 1.00 0.00 C ATOM 509 O PHE A 32 5.422 -0.524 1.021 1.00 0.00 O ATOM 510 CB PHE A 32 3.139 -2.922 1.049 1.00 0.00 C ATOM 511 CG PHE A 32 3.550 -2.733 2.480 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.316 -3.747 3.155 1.00 0.00 C ATOM 513 CD2 PHE A 32 3.182 -1.532 3.187 1.00 0.00 C ATOM 514 CE1 PHE A 32 4.715 -3.564 4.526 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.578 -1.347 4.558 1.00 0.00 C ATOM 516 CZ PHE A 32 4.346 -2.364 5.226 1.00 0.00 C ATOM 0 H PHE A 32 6.095 -2.864 0.925 1.00 0.00 H new ATOM 0 HA PHE A 32 3.859 -2.489 -0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.196 -2.406 0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.965 -3.981 0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.593 -4.650 2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.607 -0.768 2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.291 -4.327 5.028 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.299 -0.446 5.085 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.646 -2.226 6.254 1.00 0.00 H new ATOM 526 N LEU A 33 3.500 -0.128 -0.152 1.00 0.00 N ATOM 527 CA LEU A 33 3.513 1.288 0.158 1.00 0.00 C ATOM 528 C LEU A 33 2.081 1.816 0.164 1.00 0.00 C ATOM 529 O LEU A 33 1.195 1.293 -0.502 1.00 0.00 O ATOM 530 CB LEU A 33 4.390 2.063 -0.834 1.00 0.00 C ATOM 531 CG LEU A 33 3.975 1.927 -2.304 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.782 2.819 -2.659 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.157 2.287 -3.205 1.00 0.00 C ATOM 0 H LEU A 33 2.746 -0.442 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 33 3.947 1.433 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.374 3.119 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.420 1.722 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 33 3.673 0.892 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.528 2.685 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.927 2.545 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.041 3.862 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.861 2.190 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.464 3.314 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.989 1.614 -3.000 1.00 0.00 H new ATOM 545 N ILE A 34 1.917 2.887 0.960 1.00 0.00 N ATOM 546 CA ILE A 34 0.633 3.562 0.926 1.00 0.00 C ATOM 547 C ILE A 34 0.836 4.978 0.393 1.00 0.00 C ATOM 548 O ILE A 34 1.471 5.825 1.009 1.00 0.00 O ATOM 549 CB ILE A 34 -0.011 3.573 2.312 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.449 2.158 2.699 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.205 4.528 2.332 1.00 0.00 C ATOM 552 CD1 ILE A 34 -1.242 2.126 4.007 1.00 0.00 C ATOM 0 H ILE A 34 2.616 3.276 1.593 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.047 3.027 0.263 1.00 0.00 H new ATOM 0 HB ILE A 34 0.722 3.921 3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.058 1.738 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.431 1.523 2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.655 4.527 3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.869 5.536 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.943 4.203 1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.528 1.099 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.626 2.519 4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.138 2.738 3.904 1.00 0.00 H new ATOM 564 N ARG A 35 0.265 5.153 -0.812 1.00 0.00 N ATOM 565 CA ARG A 35 0.505 6.397 -1.514 1.00 0.00 C ATOM 566 C ARG A 35 -0.646 7.375 -1.274 1.00 0.00 C ATOM 567 O ARG A 35 -1.816 7.060 -1.449 1.00 0.00 O ATOM 568 CB ARG A 35 0.673 6.107 -3.006 1.00 0.00 C ATOM 569 CG ARG A 35 -0.550 5.409 -3.605 1.00 0.00 C ATOM 570 CD ARG A 35 -0.317 5.034 -5.068 1.00 0.00 C ATOM 571 NE ARG A 35 -1.521 4.464 -5.640 1.00 0.00 N ATOM 572 CZ ARG A 35 -1.913 3.240 -5.240 1.00 0.00 C ATOM 573 NH1 ARG A 35 -1.206 2.573 -4.332 1.00 0.00 N ATOM 574 NH2 ARG A 35 -3.013 2.696 -5.756 1.00 0.00 N ATOM 0 H ARG A 35 -0.334 4.479 -1.289 1.00 0.00 H new ATOM 0 HA ARG A 35 1.418 6.859 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.851 7.042 -3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.554 5.483 -3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.777 4.512 -3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.418 6.064 -3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.020 5.917 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.502 4.319 -5.141 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.061 4.981 -6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.363 2.989 -3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.507 1.646 -4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.556 3.207 -6.452 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.313 1.769 -5.455 1.00 0.00 H new ATOM 588 N GLU A 36 -0.218 8.581 -0.858 1.00 0.00 N ATOM 589 CA GLU A 36 -1.208 9.612 -0.604 1.00 0.00 C ATOM 590 C GLU A 36 -1.651 10.225 -1.933 1.00 0.00 C ATOM 591 O GLU A 36 -0.893 10.896 -2.622 1.00 0.00 O ATOM 592 CB GLU A 36 -0.626 10.699 0.304 1.00 0.00 C ATOM 593 CG GLU A 36 -0.263 10.178 1.696 1.00 0.00 C ATOM 594 CD GLU A 36 0.883 9.167 1.614 1.00 0.00 C ATOM 595 OE1 GLU A 36 2.030 9.590 1.478 1.00 0.00 O ATOM 596 OE2 GLU A 36 0.616 7.969 1.692 1.00 0.00 O ATOM 0 H GLU A 36 0.754 8.846 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.067 9.166 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.264 11.119 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.348 11.510 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.025 11.011 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.135 9.710 2.153 1.00 0.00 H new ATOM 603 N SER A 37 -2.929 9.942 -2.240 1.00 0.00 N ATOM 604 CA SER A 37 -3.473 10.417 -3.493 1.00 0.00 C ATOM 605 C SER A 37 -3.376 11.942 -3.573 1.00 0.00 C ATOM 606 O SER A 37 -3.514 12.658 -2.588 1.00 0.00 O ATOM 607 CB SER A 37 -4.928 9.970 -3.600 1.00 0.00 C ATOM 608 OG SER A 37 -5.023 8.570 -3.530 1.00 0.00 O ATOM 0 H SER A 37 -3.571 9.407 -1.655 1.00 0.00 H new ATOM 0 HA SER A 37 -2.901 9.999 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.512 10.420 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.354 10.322 -4.540 1.00 0.00 H new ATOM 0 HG SER A 37 -5.228 8.302 -2.610 1.00 0.00 H new ATOM 614 N GLU A 38 -3.124 12.374 -4.822 1.00 0.00 N ATOM 615 CA GLU A 38 -3.012 13.799 -5.070 1.00 0.00 C ATOM 616 C GLU A 38 -4.166 14.544 -4.385 1.00 0.00 C ATOM 617 O GLU A 38 -4.109 14.861 -3.202 1.00 0.00 O ATOM 618 CB GLU A 38 -2.994 14.054 -6.579 1.00 0.00 C ATOM 619 CG GLU A 38 -2.829 15.540 -6.893 1.00 0.00 C ATOM 620 CD GLU A 38 -1.460 16.026 -6.416 1.00 0.00 C ATOM 621 OE1 GLU A 38 -0.453 15.505 -6.893 1.00 0.00 O ATOM 622 OE2 GLU A 38 -1.416 16.923 -5.575 1.00 0.00 O ATOM 0 H GLU A 38 -3.000 11.774 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.080 14.176 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.179 13.492 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.920 13.688 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.930 15.707 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.618 16.113 -6.405 1.00 0.00 H new ATOM 629 N SER A 39 -5.204 14.813 -5.200 1.00 0.00 N ATOM 630 CA SER A 39 -6.325 15.562 -4.659 1.00 0.00 C ATOM 631 C SER A 39 -7.579 14.683 -4.606 1.00 0.00 C ATOM 632 O SER A 39 -8.677 15.103 -4.949 1.00 0.00 O ATOM 633 CB SER A 39 -6.584 16.797 -5.522 1.00 0.00 C ATOM 634 OG SER A 39 -7.641 17.558 -4.995 1.00 0.00 O ATOM 0 H SER A 39 -5.280 14.536 -6.179 1.00 0.00 H new ATOM 0 HA SER A 39 -6.082 15.878 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.682 17.406 -5.574 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.822 16.491 -6.541 1.00 0.00 H new ATOM 0 HG SER A 39 -8.384 16.965 -4.757 1.00 0.00 H new ATOM 640 N ALA A 40 -7.334 13.439 -4.155 1.00 0.00 N ATOM 641 CA ALA A 40 -8.440 12.512 -4.023 1.00 0.00 C ATOM 642 C ALA A 40 -8.889 12.478 -2.561 1.00 0.00 C ATOM 643 O ALA A 40 -8.129 12.766 -1.645 1.00 0.00 O ATOM 644 CB ALA A 40 -7.981 11.125 -4.476 1.00 0.00 C ATOM 0 H ALA A 40 -6.418 13.077 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.279 12.827 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.806 10.419 -4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.660 11.170 -5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.149 10.796 -3.854 1.00 0.00 H new ATOM 650 N PRO A 41 -10.179 12.112 -2.395 1.00 0.00 N ATOM 651 CA PRO A 41 -10.802 11.988 -1.090 1.00 0.00 C ATOM 652 C PRO A 41 -9.873 11.477 0.011 1.00 0.00 C ATOM 653 O PRO A 41 -8.967 12.180 0.442 1.00 0.00 O ATOM 654 CB PRO A 41 -12.025 11.108 -1.349 1.00 0.00 C ATOM 655 CG PRO A 41 -12.385 11.382 -2.813 1.00 0.00 C ATOM 656 CD PRO A 41 -11.066 11.768 -3.498 1.00 0.00 C ATOM 0 HA PRO A 41 -11.081 12.959 -0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.799 10.054 -1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.848 11.365 -0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.826 10.501 -3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.118 12.185 -2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.667 10.943 -4.088 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.201 12.609 -4.178 1.00 0.00 H new ATOM 664 N GLY A 42 -10.147 10.238 0.467 1.00 0.00 N ATOM 665 CA GLY A 42 -9.321 9.727 1.548 1.00 0.00 C ATOM 666 C GLY A 42 -7.853 9.976 1.192 1.00 0.00 C ATOM 667 O GLY A 42 -7.172 10.767 1.831 1.00 0.00 O ATOM 0 H GLY A 42 -10.883 9.619 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.573 10.223 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.501 8.662 1.692 1.00 0.00 H new ATOM 671 N ASP A 43 -7.462 9.378 0.048 1.00 0.00 N ATOM 672 CA ASP A 43 -7.793 8.002 -0.291 1.00 0.00 C ATOM 673 C ASP A 43 -6.504 7.180 -0.253 1.00 0.00 C ATOM 674 O ASP A 43 -5.641 7.291 -1.115 1.00 0.00 O ATOM 675 CB ASP A 43 -8.400 7.914 -1.691 1.00 0.00 C ATOM 676 CG ASP A 43 -9.782 8.562 -1.714 1.00 0.00 C ATOM 677 OD1 ASP A 43 -10.654 8.112 -0.973 1.00 0.00 O ATOM 678 OD2 ASP A 43 -9.971 9.507 -2.476 1.00 0.00 O ATOM 0 H ASP A 43 -6.904 9.850 -0.664 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.523 7.622 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.747 8.410 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.476 6.870 -1.996 1.00 0.00 H new ATOM 683 N PHE A 44 -6.433 6.359 0.809 1.00 0.00 N ATOM 684 CA PHE A 44 -5.221 5.581 0.986 1.00 0.00 C ATOM 685 C PHE A 44 -5.352 4.234 0.275 1.00 0.00 C ATOM 686 O PHE A 44 -6.379 3.569 0.326 1.00 0.00 O ATOM 687 CB PHE A 44 -4.953 5.373 2.477 1.00 0.00 C ATOM 688 CG PHE A 44 -4.802 6.685 3.188 1.00 0.00 C ATOM 689 CD1 PHE A 44 -3.530 7.363 3.196 1.00 0.00 C ATOM 690 CD2 PHE A 44 -5.926 7.278 3.867 1.00 0.00 C ATOM 691 CE1 PHE A 44 -3.383 8.622 3.877 1.00 0.00 C ATOM 692 CE2 PHE A 44 -5.782 8.536 4.547 1.00 0.00 C ATOM 693 CZ PHE A 44 -4.509 9.208 4.553 1.00 0.00 C ATOM 0 H PHE A 44 -7.159 6.228 1.513 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.382 6.122 0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.772 4.808 2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.048 4.779 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.684 6.924 2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.882 6.775 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.428 9.126 3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.628 8.977 5.053 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.399 10.152 5.065 1.00 0.00 H new ATOM 703 N SER A 45 -4.235 3.890 -0.392 1.00 0.00 N ATOM 704 CA SER A 45 -4.196 2.622 -1.093 1.00 0.00 C ATOM 705 C SER A 45 -2.885 1.906 -0.771 1.00 0.00 C ATOM 706 O SER A 45 -1.804 2.481 -0.816 1.00 0.00 O ATOM 707 CB SER A 45 -4.298 2.861 -2.599 1.00 0.00 C ATOM 708 OG SER A 45 -4.064 1.672 -3.309 1.00 0.00 O ATOM 0 H SER A 45 -3.388 4.454 -0.453 1.00 0.00 H new ATOM 0 HA SER A 45 -5.035 2.004 -0.773 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.287 3.248 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.575 3.619 -2.901 1.00 0.00 H new ATOM 0 HG SER A 45 -4.782 1.534 -3.962 1.00 0.00 H new ATOM 714 N LEU A 46 -3.061 0.616 -0.434 1.00 0.00 N ATOM 715 CA LEU A 46 -1.897 -0.167 -0.069 1.00 0.00 C ATOM 716 C LEU A 46 -1.511 -1.075 -1.238 1.00 0.00 C ATOM 717 O LEU A 46 -2.251 -1.965 -1.639 1.00 0.00 O ATOM 718 CB LEU A 46 -2.214 -0.992 1.180 1.00 0.00 C ATOM 719 CG LEU A 46 -0.973 -1.606 1.839 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.342 -2.199 3.197 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.319 -2.674 0.959 1.00 0.00 C ATOM 0 H LEU A 46 -3.955 0.125 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.056 0.490 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.724 -0.358 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.906 -1.790 0.912 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.245 -0.806 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.455 -2.633 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.738 -1.414 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.097 -2.974 3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.555 -3.079 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.033 -3.476 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.013 -2.228 0.012 1.00 0.00 H new ATOM 733 N SER A 47 -0.303 -0.786 -1.752 1.00 0.00 N ATOM 734 CA SER A 47 0.156 -1.566 -2.887 1.00 0.00 C ATOM 735 C SER A 47 1.081 -2.687 -2.410 1.00 0.00 C ATOM 736 O SER A 47 1.788 -2.564 -1.418 1.00 0.00 O ATOM 737 CB SER A 47 0.893 -0.659 -3.873 1.00 0.00 C ATOM 738 OG SER A 47 0.052 0.372 -4.322 1.00 0.00 O ATOM 0 H SER A 47 0.332 -0.061 -1.417 1.00 0.00 H new ATOM 0 HA SER A 47 -0.704 -2.010 -3.388 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.775 -0.233 -3.394 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.243 -1.245 -4.722 1.00 0.00 H new ATOM 0 HG SER A 47 0.482 0.845 -5.064 1.00 0.00 H new ATOM 744 N VAL A 48 1.024 -3.783 -3.187 1.00 0.00 N ATOM 745 CA VAL A 48 1.905 -4.895 -2.882 1.00 0.00 C ATOM 746 C VAL A 48 2.379 -5.549 -4.180 1.00 0.00 C ATOM 747 O VAL A 48 1.627 -5.706 -5.133 1.00 0.00 O ATOM 748 CB VAL A 48 1.179 -5.943 -2.039 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.078 -7.164 -1.831 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.722 -5.364 -0.700 1.00 0.00 C ATOM 0 H VAL A 48 0.407 -3.911 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 48 2.758 -4.512 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 48 0.285 -6.255 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.552 -7.905 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.333 -7.597 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.990 -6.861 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.209 -6.136 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.589 -5.011 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.041 -4.531 -0.877 1.00 0.00 H new ATOM 760 N LYS A 49 3.669 -5.931 -4.145 1.00 0.00 N ATOM 761 CA LYS A 49 4.156 -6.681 -5.286 1.00 0.00 C ATOM 762 C LYS A 49 3.575 -8.095 -5.235 1.00 0.00 C ATOM 763 O LYS A 49 4.017 -8.952 -4.480 1.00 0.00 O ATOM 764 CB LYS A 49 5.684 -6.735 -5.290 1.00 0.00 C ATOM 765 CG LYS A 49 6.193 -7.598 -6.447 1.00 0.00 C ATOM 766 CD LYS A 49 7.715 -7.594 -6.576 1.00 0.00 C ATOM 767 CE LYS A 49 8.190 -8.576 -7.647 1.00 0.00 C ATOM 768 NZ LYS A 49 7.720 -8.216 -8.980 1.00 0.00 N ATOM 0 H LYS A 49 4.337 -5.746 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 49 3.838 -6.185 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.088 -5.726 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.041 -7.141 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.849 -8.623 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.755 -7.240 -7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.057 -6.589 -6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.163 -7.855 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.279 -8.611 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.839 -9.578 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.096 -8.892 -9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.680 -8.241 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.048 -7.258 -9.217 1.00 0.00 H new ATOM 782 N PHE A 50 2.556 -8.270 -6.094 1.00 0.00 N ATOM 783 CA PHE A 50 1.902 -9.569 -6.149 1.00 0.00 C ATOM 784 C PHE A 50 2.569 -10.546 -7.142 1.00 0.00 C ATOM 785 O PHE A 50 2.233 -11.724 -7.185 1.00 0.00 O ATOM 786 CB PHE A 50 0.436 -9.363 -6.532 1.00 0.00 C ATOM 787 CG PHE A 50 -0.309 -10.663 -6.603 1.00 0.00 C ATOM 788 CD1 PHE A 50 -0.357 -11.404 -7.837 1.00 0.00 C ATOM 789 CD2 PHE A 50 -0.985 -11.176 -5.439 1.00 0.00 C ATOM 790 CE1 PHE A 50 -1.073 -12.650 -7.908 1.00 0.00 C ATOM 791 CE2 PHE A 50 -1.702 -12.423 -5.507 1.00 0.00 C ATOM 792 CZ PHE A 50 -1.746 -13.159 -6.742 1.00 0.00 C ATOM 0 H PHE A 50 2.188 -7.560 -6.728 1.00 0.00 H new ATOM 0 HA PHE A 50 1.991 -10.024 -5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.042 -8.710 -5.802 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.380 -8.859 -7.497 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.147 -11.023 -8.713 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.954 -10.623 -4.512 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.105 -13.203 -8.835 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.206 -12.805 -4.632 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.284 -14.094 -6.794 1.00 0.00 H new ATOM 802 N GLY A 51 3.515 -10.007 -7.934 1.00 0.00 N ATOM 803 CA GLY A 51 4.112 -10.827 -8.968 1.00 0.00 C ATOM 804 C GLY A 51 3.284 -10.717 -10.244 1.00 0.00 C ATOM 805 O GLY A 51 2.062 -10.762 -10.229 1.00 0.00 O ATOM 0 H GLY A 51 3.861 -9.049 -7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.136 -10.505 -9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.160 -11.866 -8.641 1.00 0.00 H new ATOM 809 N ASN A 52 4.049 -10.542 -11.335 1.00 0.00 N ATOM 810 CA ASN A 52 3.417 -10.295 -12.621 1.00 0.00 C ATOM 811 C ASN A 52 2.813 -8.881 -12.671 1.00 0.00 C ATOM 812 O ASN A 52 2.800 -8.236 -13.712 1.00 0.00 O ATOM 813 CB ASN A 52 2.351 -11.351 -12.921 1.00 0.00 C ATOM 814 CG ASN A 52 1.839 -11.170 -14.352 1.00 0.00 C ATOM 815 OD1 ASN A 52 2.370 -11.729 -15.304 1.00 0.00 O ATOM 816 ND2 ASN A 52 0.768 -10.360 -14.430 1.00 0.00 N ATOM 0 H ASN A 52 5.069 -10.567 -11.346 1.00 0.00 H new ATOM 0 HA ASN A 52 4.185 -10.364 -13.391 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.769 -12.350 -12.797 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.526 -11.261 -12.214 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.336 -10.172 -15.334 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.388 -9.934 -13.585 1.00 0.00 H new ATOM 823 N ASP A 53 2.333 -8.432 -11.493 1.00 0.00 N ATOM 824 CA ASP A 53 1.833 -7.074 -11.451 1.00 0.00 C ATOM 825 C ASP A 53 1.827 -6.577 -10.000 1.00 0.00 C ATOM 826 O ASP A 53 2.283 -7.250 -9.084 1.00 0.00 O ATOM 827 CB ASP A 53 0.431 -7.028 -12.066 1.00 0.00 C ATOM 828 CG ASP A 53 -0.017 -5.583 -12.295 1.00 0.00 C ATOM 829 OD1 ASP A 53 0.390 -4.993 -13.293 1.00 0.00 O ATOM 830 OD2 ASP A 53 -0.774 -5.066 -11.474 1.00 0.00 O ATOM 0 H ASP A 53 2.287 -8.960 -10.621 1.00 0.00 H new ATOM 0 HA ASP A 53 2.480 -6.416 -12.032 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.427 -7.569 -13.012 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.276 -7.532 -11.407 1.00 0.00 H new ATOM 835 N VAL A 54 1.286 -5.354 -9.865 1.00 0.00 N ATOM 836 CA VAL A 54 1.251 -4.739 -8.552 1.00 0.00 C ATOM 837 C VAL A 54 -0.202 -4.584 -8.093 1.00 0.00 C ATOM 838 O VAL A 54 -1.022 -3.950 -8.746 1.00 0.00 O ATOM 839 CB VAL A 54 1.939 -3.378 -8.618 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.813 -2.644 -7.283 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.406 -3.547 -9.014 1.00 0.00 C ATOM 0 H VAL A 54 0.885 -4.800 -10.622 1.00 0.00 H new ATOM 0 HA VAL A 54 1.776 -5.369 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 54 1.445 -2.774 -9.379 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.310 -1.676 -7.351 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.759 -2.495 -7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.280 -3.237 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.886 -2.569 -9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.913 -4.168 -8.275 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.466 -4.025 -9.992 1.00 0.00 H new ATOM 851 N GLN A 55 -0.458 -5.212 -6.931 1.00 0.00 N ATOM 852 CA GLN A 55 -1.807 -5.155 -6.401 1.00 0.00 C ATOM 853 C GLN A 55 -1.949 -3.944 -5.476 1.00 0.00 C ATOM 854 O GLN A 55 -0.979 -3.392 -4.973 1.00 0.00 O ATOM 855 CB GLN A 55 -2.126 -6.448 -5.651 1.00 0.00 C ATOM 856 CG GLN A 55 -3.562 -6.484 -5.118 1.00 0.00 C ATOM 857 CD GLN A 55 -3.878 -7.830 -4.451 1.00 0.00 C ATOM 858 OE1 GLN A 55 -3.121 -8.854 -4.890 1.00 0.00 O flip ATOM 859 NE2 GLN A 55 -4.751 -7.929 -3.597 1.00 0.00 N flip ATOM 0 H GLN A 55 0.219 -5.735 -6.376 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.515 -5.049 -7.223 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.968 -7.297 -6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.431 -6.561 -4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.705 -5.677 -4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.260 -6.309 -5.937 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.284 -7.106 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.944 -8.834 -3.168 1.00 0.00 H new ATOM 868 N HIS A 56 -3.229 -3.571 -5.307 1.00 0.00 N ATOM 869 CA HIS A 56 -3.509 -2.399 -4.500 1.00 0.00 C ATOM 870 C HIS A 56 -4.770 -2.628 -3.663 1.00 0.00 C ATOM 871 O HIS A 56 -5.727 -3.262 -4.092 1.00 0.00 O ATOM 872 CB HIS A 56 -3.692 -1.182 -5.406 1.00 0.00 C ATOM 873 CG HIS A 56 -4.869 -1.406 -6.325 1.00 0.00 C ATOM 874 ND1 HIS A 56 -6.140 -1.062 -6.021 1.00 0.00 N ATOM 875 CD2 HIS A 56 -4.860 -1.985 -7.605 1.00 0.00 C ATOM 876 CE1 HIS A 56 -6.881 -1.423 -7.084 1.00 0.00 C ATOM 877 NE2 HIS A 56 -6.136 -1.982 -8.056 1.00 0.00 N ATOM 0 H HIS A 56 -4.042 -4.045 -5.701 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.671 -2.219 -3.827 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.854 -0.288 -4.803 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.788 -1.013 -5.991 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.996 -2.362 -8.131 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.950 -1.281 -7.150 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.467 -2.334 -8.954 1.00 0.00 H new ATOM 885 N PHE A 57 -4.700 -2.069 -2.440 1.00 0.00 N ATOM 886 CA PHE A 57 -5.845 -2.200 -1.560 1.00 0.00 C ATOM 887 C PHE A 57 -6.342 -0.813 -1.151 1.00 0.00 C ATOM 888 O PHE A 57 -5.748 -0.135 -0.321 1.00 0.00 O ATOM 889 CB PHE A 57 -5.464 -2.988 -0.305 1.00 0.00 C ATOM 890 CG PHE A 57 -4.901 -4.336 -0.642 1.00 0.00 C ATOM 891 CD1 PHE A 57 -5.780 -5.444 -0.913 1.00 0.00 C ATOM 892 CD2 PHE A 57 -3.475 -4.533 -0.693 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.239 -6.739 -1.231 1.00 0.00 C ATOM 894 CE2 PHE A 57 -2.931 -5.827 -1.011 1.00 0.00 C ATOM 895 CZ PHE A 57 -3.814 -6.930 -1.280 1.00 0.00 C ATOM 0 H PHE A 57 -3.904 -1.552 -2.066 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.633 -2.733 -2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.732 -2.422 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.343 -3.109 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.850 -5.302 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.811 -3.706 -0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.902 -7.567 -1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.861 -5.970 -1.048 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.407 -7.902 -1.519 1.00 0.00 H new ATOM 905 N LYS A 58 -7.474 -0.446 -1.775 1.00 0.00 N ATOM 906 CA LYS A 58 -8.064 0.827 -1.419 1.00 0.00 C ATOM 907 C LYS A 58 -8.543 0.792 0.032 1.00 0.00 C ATOM 908 O LYS A 58 -9.569 0.208 0.360 1.00 0.00 O ATOM 909 CB LYS A 58 -9.240 1.106 -2.351 1.00 0.00 C ATOM 910 CG LYS A 58 -8.772 1.244 -3.798 1.00 0.00 C ATOM 911 CD LYS A 58 -8.018 2.548 -4.065 1.00 0.00 C ATOM 912 CE LYS A 58 -8.932 3.777 -4.097 1.00 0.00 C ATOM 913 NZ LYS A 58 -9.369 4.205 -2.774 1.00 0.00 N ATOM 0 H LYS A 58 -7.966 -0.986 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.321 1.618 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.967 0.298 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.746 2.020 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.127 0.401 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.637 1.190 -4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.260 2.687 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.493 2.468 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.406 4.600 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.808 3.554 -4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.458 5.241 -2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.291 3.775 -2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.671 3.905 -2.064 1.00 0.00 H new ATOM 927 N VAL A 59 -7.742 1.476 0.867 1.00 0.00 N ATOM 928 CA VAL A 59 -8.188 1.639 2.236 1.00 0.00 C ATOM 929 C VAL A 59 -9.295 2.691 2.257 1.00 0.00 C ATOM 930 O VAL A 59 -9.052 3.892 2.262 1.00 0.00 O ATOM 931 CB VAL A 59 -7.018 2.074 3.116 1.00 0.00 C ATOM 932 CG1 VAL A 59 -7.475 2.255 4.563 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.870 1.069 3.029 1.00 0.00 C ATOM 0 H VAL A 59 -6.843 1.895 0.629 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.571 0.695 2.625 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.652 3.034 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.629 2.565 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.253 3.017 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.870 1.312 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.048 1.400 3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.216 0.091 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.526 0.998 1.997 1.00 0.00 H new ATOM 943 N LEU A 60 -10.525 2.148 2.243 1.00 0.00 N ATOM 944 CA LEU A 60 -11.663 3.020 2.061 1.00 0.00 C ATOM 945 C LEU A 60 -12.028 3.730 3.364 1.00 0.00 C ATOM 946 O LEU A 60 -11.239 3.830 4.297 1.00 0.00 O ATOM 947 CB LEU A 60 -12.835 2.183 1.557 1.00 0.00 C ATOM 948 CG LEU A 60 -12.499 1.490 0.234 1.00 0.00 C ATOM 949 CD1 LEU A 60 -13.646 0.591 -0.224 1.00 0.00 C ATOM 950 CD2 LEU A 60 -12.152 2.510 -0.853 1.00 0.00 C ATOM 0 H LEU A 60 -10.737 1.156 2.351 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.416 3.792 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -13.098 1.435 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.709 2.821 1.424 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.623 0.865 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.379 0.112 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.834 -0.173 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.545 1.191 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.918 1.988 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.002 3.173 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.289 3.097 -0.539 1.00 0.00 H new ATOM 962 N ARG A 61 -13.282 4.218 3.333 1.00 0.00 N ATOM 963 CA ARG A 61 -13.796 5.016 4.424 1.00 0.00 C ATOM 964 C ARG A 61 -13.561 6.501 4.092 1.00 0.00 C ATOM 965 O ARG A 61 -13.776 6.935 2.968 1.00 0.00 O ATOM 966 CB ARG A 61 -13.154 4.580 5.745 1.00 0.00 C ATOM 967 CG ARG A 61 -14.102 4.720 6.942 1.00 0.00 C ATOM 968 CD ARG A 61 -15.255 5.692 6.712 1.00 0.00 C ATOM 969 NE ARG A 61 -15.415 6.568 7.853 1.00 0.00 N ATOM 970 CZ ARG A 61 -14.437 7.342 8.369 1.00 0.00 C ATOM 971 NH1 ARG A 61 -13.212 7.344 7.864 1.00 0.00 N ATOM 972 NH2 ARG A 61 -14.695 8.118 9.417 1.00 0.00 N ATOM 0 H ARG A 61 -13.939 4.068 2.567 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.869 4.868 4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.832 3.542 5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.260 5.178 5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.511 3.739 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.530 5.050 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.067 6.283 5.816 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.177 5.137 6.540 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.332 6.603 8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.989 6.750 7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.492 7.939 8.274 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.629 8.127 9.828 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.959 8.705 9.811 1.00 0.00 H new ATOM 986 N ASP A 62 -13.124 7.225 5.145 1.00 0.00 N ATOM 987 CA ASP A 62 -12.973 8.674 5.101 1.00 0.00 C ATOM 988 C ASP A 62 -14.017 9.372 5.995 1.00 0.00 C ATOM 989 O ASP A 62 -13.747 10.421 6.566 1.00 0.00 O ATOM 990 CB ASP A 62 -13.068 9.219 3.676 1.00 0.00 C ATOM 991 CG ASP A 62 -12.784 10.722 3.677 1.00 0.00 C ATOM 992 OD1 ASP A 62 -13.724 11.497 3.839 1.00 0.00 O ATOM 993 OD2 ASP A 62 -11.625 11.101 3.510 1.00 0.00 O ATOM 0 H ASP A 62 -12.870 6.811 6.042 1.00 0.00 H new ATOM 0 HA ASP A 62 -11.976 8.893 5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.355 8.705 3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.061 9.027 3.269 1.00 0.00 H new ATOM 998 N GLY A 63 -15.214 8.751 6.086 1.00 0.00 N ATOM 999 CA GLY A 63 -16.245 9.436 6.859 1.00 0.00 C ATOM 1000 C GLY A 63 -17.352 8.485 7.344 1.00 0.00 C ATOM 1001 O GLY A 63 -18.152 7.976 6.570 1.00 0.00 O ATOM 0 H GLY A 63 -15.468 7.855 5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.786 9.922 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.689 10.223 6.249 1.00 0.00 H new ATOM 1005 N ALA A 64 -17.326 8.311 8.684 1.00 0.00 N ATOM 1006 CA ALA A 64 -18.176 7.389 9.409 1.00 0.00 C ATOM 1007 C ALA A 64 -17.402 6.980 10.662 1.00 0.00 C ATOM 1008 O ALA A 64 -17.692 7.398 11.776 1.00 0.00 O ATOM 1009 CB ALA A 64 -18.475 6.146 8.581 1.00 0.00 C ATOM 0 H ALA A 64 -16.691 8.829 9.291 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.128 7.864 9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.115 5.474 9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.982 6.435 7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.542 5.638 8.337 1.00 0.00 H new ATOM 1015 N GLY A 65 -16.366 6.166 10.378 1.00 0.00 N ATOM 1016 CA GLY A 65 -15.379 5.935 11.409 1.00 0.00 C ATOM 1017 C GLY A 65 -14.213 5.052 10.927 1.00 0.00 C ATOM 1018 O GLY A 65 -14.176 3.854 11.178 1.00 0.00 O ATOM 0 H GLY A 65 -16.208 5.689 9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.987 6.892 11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.858 5.461 12.266 1.00 0.00 H new ATOM 1022 N LYS A 66 -13.240 5.749 10.300 1.00 0.00 N ATOM 1023 CA LYS A 66 -11.861 5.268 10.277 1.00 0.00 C ATOM 1024 C LYS A 66 -11.404 4.792 8.882 1.00 0.00 C ATOM 1025 O LYS A 66 -11.480 5.514 7.893 1.00 0.00 O ATOM 1026 CB LYS A 66 -11.619 4.237 11.383 1.00 0.00 C ATOM 1027 CG LYS A 66 -12.063 4.747 12.759 1.00 0.00 C ATOM 1028 CD LYS A 66 -11.179 4.223 13.891 1.00 0.00 C ATOM 1029 CE LYS A 66 -9.929 5.085 14.078 1.00 0.00 C ATOM 1030 NZ LYS A 66 -9.069 5.100 12.901 1.00 0.00 N ATOM 0 H LYS A 66 -13.391 6.632 9.813 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.220 6.122 10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.158 3.320 11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.559 3.984 11.416 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.044 5.837 12.762 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.095 4.446 12.939 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.750 4.204 14.819 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.884 3.196 13.677 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.230 6.106 14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.362 4.713 14.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.103 5.364 13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.058 4.155 12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.432 5.792 12.215 1.00 0.00 H new ATOM 1044 N TYR A 67 -10.890 3.550 8.871 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.403 3.012 7.616 1.00 0.00 C ATOM 1046 C TYR A 67 -10.705 1.515 7.550 1.00 0.00 C ATOM 1047 O TYR A 67 -10.598 0.801 8.539 1.00 0.00 O ATOM 1048 CB TYR A 67 -8.896 3.237 7.517 1.00 0.00 C ATOM 1049 CG TYR A 67 -8.558 4.698 7.541 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -8.487 5.447 6.314 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -8.303 5.363 8.794 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -8.164 6.850 6.336 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -7.980 6.765 8.819 1.00 0.00 C ATOM 1054 CZ TYR A 67 -7.911 7.508 7.589 1.00 0.00 C ATOM 1055 OH TYR A 67 -7.600 8.852 7.612 1.00 0.00 O ATOM 0 H TYR A 67 -10.808 2.935 9.681 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.899 3.516 6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.396 2.733 8.344 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.520 2.790 6.597 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.677 4.954 5.372 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.355 4.807 9.718 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.112 7.407 5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.790 7.259 9.760 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.460 9.140 8.538 1.00 0.00 H new ATOM 1065 N PHE A 68 -11.094 1.082 6.336 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.415 -0.330 6.269 1.00 0.00 C ATOM 1067 C PHE A 68 -11.458 -0.838 4.824 1.00 0.00 C ATOM 1068 O PHE A 68 -12.059 -0.241 3.938 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.763 -0.574 6.954 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.906 0.014 6.178 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -14.167 1.428 6.235 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.748 -0.831 5.372 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -15.261 1.996 5.492 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -15.843 -0.268 4.627 1.00 0.00 C ATOM 1075 CZ PHE A 68 -16.099 1.147 4.688 1.00 0.00 C ATOM 0 H PHE A 68 -11.184 1.630 5.480 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.629 -0.883 6.783 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.920 -1.646 7.073 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.744 -0.142 7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -13.539 2.066 6.838 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -14.557 -1.893 5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.452 3.058 5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.471 -0.906 4.023 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.920 1.572 4.130 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.815 -2.009 4.678 1.00 0.00 N ATOM 1086 CA LEU A 69 -11.050 -2.807 3.495 1.00 0.00 C ATOM 1087 C LEU A 69 -11.487 -4.192 3.950 1.00 0.00 C ATOM 1088 O LEU A 69 -11.311 -4.584 5.096 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.798 -2.928 2.625 1.00 0.00 C ATOM 1090 CG LEU A 69 -8.495 -2.778 3.403 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -8.372 -3.846 4.485 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -7.297 -2.841 2.454 1.00 0.00 C ATOM 0 H LEU A 69 -10.153 -2.402 5.347 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.817 -2.324 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.804 -3.898 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.834 -2.169 1.844 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.506 -1.804 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.433 -3.713 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.205 -3.755 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.390 -4.834 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.375 -2.732 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.293 -3.800 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.369 -2.035 1.724 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.073 -4.884 2.961 1.00 0.00 N ATOM 1105 CA TRP A 70 -12.494 -6.247 3.211 1.00 0.00 C ATOM 1106 C TRP A 70 -13.605 -6.272 4.263 1.00 0.00 C ATOM 1107 O TRP A 70 -14.786 -6.320 3.946 1.00 0.00 O ATOM 1108 CB TRP A 70 -11.297 -7.077 3.669 1.00 0.00 C ATOM 1109 CG TRP A 70 -10.332 -7.264 2.522 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -10.337 -6.568 1.308 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -9.232 -8.192 2.466 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -9.322 -7.003 0.517 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -8.602 -8.000 1.163 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -8.722 -9.152 3.372 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -7.475 -8.775 0.798 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -7.574 -9.944 3.005 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -6.950 -9.755 1.717 1.00 0.00 C ATOM 0 H TRP A 70 -12.255 -4.530 2.022 1.00 0.00 H new ATOM 0 HA TRP A 70 -12.888 -6.678 2.290 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -10.796 -6.581 4.500 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -11.634 -8.047 4.034 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.045 -5.798 1.039 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.118 -6.648 -0.417 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.191 -9.291 4.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.009 -8.633 -0.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.181 -10.678 3.693 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.090 -10.347 1.441 1.00 0.00 H new ATOM 1128 N VAL A 71 -13.152 -6.264 5.531 1.00 0.00 N ATOM 1129 CA VAL A 71 -14.136 -6.442 6.580 1.00 0.00 C ATOM 1130 C VAL A 71 -13.841 -5.502 7.756 1.00 0.00 C ATOM 1131 O VAL A 71 -14.290 -4.364 7.800 1.00 0.00 O ATOM 1132 CB VAL A 71 -14.127 -7.909 7.013 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -15.186 -8.175 8.081 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -14.319 -8.819 5.800 1.00 0.00 C ATOM 0 H VAL A 71 -12.183 -6.145 5.827 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.130 -6.189 6.211 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.157 -8.132 7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -15.156 -9.226 8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.987 -7.553 8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.172 -7.936 7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.311 -9.860 6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -15.273 -8.594 5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.510 -8.652 5.089 1.00 0.00 H new ATOM 1144 N VAL A 72 -13.074 -6.065 8.707 1.00 0.00 N ATOM 1145 CA VAL A 72 -12.785 -5.320 9.916 1.00 0.00 C ATOM 1146 C VAL A 72 -12.158 -3.965 9.579 1.00 0.00 C ATOM 1147 O VAL A 72 -11.347 -3.834 8.672 1.00 0.00 O ATOM 1148 CB VAL A 72 -11.828 -6.135 10.785 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -12.474 -7.456 11.204 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -10.507 -6.381 10.056 1.00 0.00 C ATOM 0 H VAL A 72 -12.663 -6.997 8.656 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.715 -5.140 10.456 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.612 -5.561 11.686 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.777 -8.022 11.822 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.381 -7.253 11.773 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.725 -8.036 10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.842 -6.963 10.694 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.697 -6.930 9.134 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.039 -5.426 9.819 1.00 0.00 H new ATOM 1160 N LYS A 73 -12.594 -2.974 10.380 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.020 -1.654 10.206 1.00 0.00 C ATOM 1162 C LYS A 73 -10.631 -1.617 10.837 1.00 0.00 C ATOM 1163 O LYS A 73 -10.044 -2.639 11.171 1.00 0.00 O ATOM 1164 CB LYS A 73 -12.906 -0.600 10.874 1.00 0.00 C ATOM 1165 CG LYS A 73 -14.315 -0.575 10.288 1.00 0.00 C ATOM 1166 CD LYS A 73 -15.211 0.439 10.999 1.00 0.00 C ATOM 1167 CE LYS A 73 -16.631 0.442 10.431 1.00 0.00 C ATOM 1168 NZ LYS A 73 -16.670 0.875 9.039 1.00 0.00 N ATOM 0 H LYS A 73 -13.301 -3.064 11.110 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.949 -1.437 9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.963 -0.801 11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.449 0.383 10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.262 -0.331 9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.758 -1.568 10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.246 0.208 12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.779 1.435 10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.053 -0.560 10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.259 1.100 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.659 0.991 8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.170 1.782 8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.208 0.161 8.440 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.155 -0.368 10.989 1.00 0.00 N ATOM 1183 CA PHE A 74 -8.853 -0.227 11.612 1.00 0.00 C ATOM 1184 C PHE A 74 -8.734 1.176 12.208 1.00 0.00 C ATOM 1185 O PHE A 74 -9.116 2.170 11.601 1.00 0.00 O ATOM 1186 CB PHE A 74 -7.705 -0.466 10.619 1.00 0.00 C ATOM 1187 CG PHE A 74 -7.915 -1.666 9.737 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -7.511 -2.974 10.180 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.536 -1.513 8.447 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -7.727 -4.124 9.341 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.756 -2.658 7.607 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.350 -3.965 8.054 1.00 0.00 C ATOM 0 H PHE A 74 -10.622 0.494 10.708 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.770 -0.983 12.392 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.586 0.419 9.993 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.775 -0.591 11.174 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.044 -3.094 11.146 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.838 -0.533 8.109 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.422 -5.104 9.677 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.225 -2.538 6.642 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.513 -4.826 7.423 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.186 1.175 13.436 1.00 0.00 N ATOM 1203 CA ASN A 75 -7.993 2.453 14.106 1.00 0.00 C ATOM 1204 C ASN A 75 -6.965 3.362 13.393 1.00 0.00 C ATOM 1205 O ASN A 75 -6.770 4.505 13.786 1.00 0.00 O ATOM 1206 CB ASN A 75 -7.546 2.206 15.548 1.00 0.00 C ATOM 1207 CG ASN A 75 -6.184 1.508 15.557 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -6.081 0.290 15.629 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -5.153 2.369 15.490 1.00 0.00 N ATOM 0 H ASN A 75 -7.887 0.349 13.954 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.949 2.976 14.081 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.484 3.152 16.086 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.283 1.592 16.067 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.195 2.019 15.497 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.329 3.372 15.432 1.00 0.00 H new ATOM 1216 N SER A 76 -6.327 2.811 12.339 1.00 0.00 N ATOM 1217 CA SER A 76 -5.351 3.599 11.615 1.00 0.00 C ATOM 1218 C SER A 76 -4.744 2.741 10.504 1.00 0.00 C ATOM 1219 O SER A 76 -4.702 1.520 10.587 1.00 0.00 O ATOM 1220 CB SER A 76 -4.252 4.078 12.565 1.00 0.00 C ATOM 1221 OG SER A 76 -3.595 2.985 13.153 1.00 0.00 O ATOM 0 H SER A 76 -6.472 1.862 11.993 1.00 0.00 H new ATOM 0 HA SER A 76 -5.838 4.472 11.180 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.534 4.690 12.019 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.685 4.709 13.341 1.00 0.00 H new ATOM 0 HG SER A 76 -2.894 3.310 13.756 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.284 3.457 9.463 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.654 2.727 8.376 1.00 0.00 C ATOM 1229 C LEU A 77 -2.679 1.683 8.934 1.00 0.00 C ATOM 1230 O LEU A 77 -2.614 0.550 8.473 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.900 3.694 7.465 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.826 4.734 6.836 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -3.028 5.726 5.989 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.906 4.054 5.995 1.00 0.00 C ATOM 0 H LEU A 77 -4.334 4.471 9.361 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.429 2.220 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.124 4.201 8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.399 3.132 6.677 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.314 5.287 7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.706 6.458 5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.299 6.238 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.509 5.190 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.555 4.811 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.437 3.473 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.497 3.392 6.628 1.00 0.00 H new ATOM 1246 N ASN A 78 -1.933 2.145 9.954 1.00 0.00 N ATOM 1247 CA ASN A 78 -0.965 1.252 10.562 1.00 0.00 C ATOM 1248 C ASN A 78 -1.648 -0.001 11.103 1.00 0.00 C ATOM 1249 O ASN A 78 -1.134 -1.106 10.991 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.275 1.961 11.720 1.00 0.00 C ATOM 1251 CG ASN A 78 0.812 1.062 12.311 1.00 0.00 C ATOM 1252 OD1 ASN A 78 0.834 0.770 13.501 1.00 0.00 O ATOM 1253 ND2 ASN A 78 1.704 0.644 11.395 1.00 0.00 N ATOM 0 H ASN A 78 -1.984 3.084 10.349 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.240 0.967 9.800 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.164 2.897 11.374 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.005 2.216 12.488 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.474 0.035 11.673 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.611 0.936 10.422 1.00 0.00 H new ATOM 1260 N GLU A 79 -2.826 0.238 11.706 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.512 -0.909 12.272 1.00 0.00 C ATOM 1262 C GLU A 79 -3.902 -1.922 11.178 1.00 0.00 C ATOM 1263 O GLU A 79 -3.962 -3.122 11.418 1.00 0.00 O ATOM 1264 CB GLU A 79 -4.750 -0.436 13.033 1.00 0.00 C ATOM 1265 CG GLU A 79 -5.532 -1.607 13.629 1.00 0.00 C ATOM 1266 CD GLU A 79 -4.647 -2.374 14.615 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -3.774 -1.757 15.223 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -4.838 -3.580 14.760 1.00 0.00 O ATOM 0 H GLU A 79 -3.285 1.144 11.805 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.836 -1.415 12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.449 0.243 13.830 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.396 0.128 12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.424 -1.240 14.137 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.869 -2.273 12.835 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.149 -1.373 9.972 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.442 -2.247 8.856 1.00 0.00 C ATOM 1277 C LEU A 80 -3.157 -2.970 8.455 1.00 0.00 C ATOM 1278 O LEU A 80 -3.058 -4.190 8.493 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.980 -1.402 7.700 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.585 -2.225 6.561 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -6.311 -1.297 5.590 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.535 -3.051 5.815 1.00 0.00 C ATOM 0 H LEU A 80 -4.149 -0.374 9.766 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.194 -2.989 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.738 -0.719 8.084 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.170 -0.790 7.303 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.290 -2.930 7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.742 -1.884 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.105 -0.769 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.605 -0.575 5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.016 -3.616 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.785 -2.385 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.054 -3.741 6.509 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.181 -2.123 8.086 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.874 -2.664 7.756 1.00 0.00 C ATOM 1296 C VAL A 81 -0.409 -3.694 8.802 1.00 0.00 C ATOM 1297 O VAL A 81 0.294 -4.645 8.488 1.00 0.00 O ATOM 1298 CB VAL A 81 0.133 -1.515 7.666 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.547 -2.039 7.412 1.00 0.00 C ATOM 1300 CG2 VAL A 81 -0.279 -0.529 6.574 1.00 0.00 C ATOM 0 H VAL A 81 -2.273 -1.110 8.014 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.942 -3.178 6.797 1.00 0.00 H new ATOM 0 HB VAL A 81 0.136 -0.993 8.623 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.241 -1.200 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.843 -2.698 8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.567 -2.593 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.448 0.282 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.316 -1.044 5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.263 -0.121 6.805 1.00 0.00 H new ATOM 1310 N ASP A 82 -0.842 -3.447 10.055 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.441 -4.335 11.129 1.00 0.00 C ATOM 1312 C ASP A 82 -1.306 -5.600 11.126 1.00 0.00 C ATOM 1313 O ASP A 82 -0.822 -6.710 11.310 1.00 0.00 O ATOM 1314 CB ASP A 82 -0.578 -3.607 12.468 1.00 0.00 C ATOM 1315 CG ASP A 82 0.416 -2.445 12.532 1.00 0.00 C ATOM 1316 OD1 ASP A 82 1.365 -2.442 11.750 1.00 0.00 O ATOM 1317 OD2 ASP A 82 0.226 -1.555 13.359 1.00 0.00 O ATOM 0 H ASP A 82 -1.444 -2.670 10.327 1.00 0.00 H new ATOM 0 HA ASP A 82 0.598 -4.628 10.981 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.595 -3.234 12.587 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.395 -4.300 13.289 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.612 -5.359 10.907 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.515 -6.493 10.902 1.00 0.00 C ATOM 1324 C TYR A 83 -3.111 -7.495 9.813 1.00 0.00 C ATOM 1325 O TYR A 83 -3.127 -8.703 10.014 1.00 0.00 O ATOM 1326 CB TYR A 83 -4.949 -6.011 10.680 1.00 0.00 C ATOM 1327 CG TYR A 83 -5.924 -7.148 10.758 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -6.168 -7.809 12.014 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.624 -7.587 9.578 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -7.103 -8.901 12.092 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.559 -8.677 9.652 1.00 0.00 C ATOM 1332 CZ TYR A 83 -7.799 -9.334 10.908 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.696 -10.381 10.981 1.00 0.00 O ATOM 0 H TYR A 83 -3.034 -4.445 10.742 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.457 -6.996 11.867 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.202 -5.260 11.428 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.026 -5.529 9.705 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.647 -7.484 12.902 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.446 -7.095 8.633 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.282 -9.394 13.036 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.081 -9.002 8.764 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.079 -10.546 10.094 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.738 -6.914 8.657 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.298 -7.769 7.569 1.00 0.00 C ATOM 1345 C HIS A 84 -0.781 -7.992 7.639 1.00 0.00 C ATOM 1346 O HIS A 84 -0.089 -8.011 6.629 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.662 -7.128 6.230 1.00 0.00 C ATOM 1348 CG HIS A 84 -4.163 -6.994 6.123 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -4.786 -5.965 5.508 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -5.141 -7.876 6.614 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -6.103 -6.216 5.621 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -6.347 -7.360 6.284 1.00 0.00 N ATOM 0 H HIS A 84 -2.735 -5.912 8.468 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.798 -8.733 7.660 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.192 -6.148 6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -2.282 -7.736 5.409 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.963 -8.794 7.154 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.875 -5.573 5.225 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.261 -7.760 6.496 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.315 -8.160 8.891 1.00 0.00 N ATOM 1361 CA ARG A 85 1.110 -8.405 9.068 1.00 0.00 C ATOM 1362 C ARG A 85 1.404 -9.706 9.855 1.00 0.00 C ATOM 1363 O ARG A 85 2.558 -10.042 10.094 1.00 0.00 O ATOM 1364 CB ARG A 85 1.739 -7.202 9.777 1.00 0.00 C ATOM 1365 CG ARG A 85 3.262 -7.300 9.859 1.00 0.00 C ATOM 1366 CD ARG A 85 3.883 -6.043 10.469 1.00 0.00 C ATOM 1367 NE ARG A 85 5.327 -6.176 10.521 1.00 0.00 N ATOM 1368 CZ ARG A 85 6.078 -5.063 10.605 1.00 0.00 C ATOM 1369 NH1 ARG A 85 5.502 -3.864 10.636 1.00 0.00 N ATOM 1370 NH2 ARG A 85 7.403 -5.161 10.656 1.00 0.00 N ATOM 0 H ARG A 85 -0.874 -8.132 9.744 1.00 0.00 H new ATOM 0 HA ARG A 85 1.550 -8.537 8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.465 -6.289 9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.329 -7.123 10.784 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.538 -8.168 10.457 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.670 -7.458 8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.611 -5.169 9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.488 -5.883 11.472 1.00 0.00 H new ATOM 0 HE ARG A 85 5.765 -7.097 10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.486 -3.785 10.596 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.077 -3.024 10.700 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.848 -6.079 10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.975 -4.319 10.720 1.00 0.00 H new ATOM 1384 N SER A 86 0.326 -10.420 10.241 1.00 0.00 N ATOM 1385 CA SER A 86 0.555 -11.636 10.996 1.00 0.00 C ATOM 1386 C SER A 86 0.697 -12.821 10.039 1.00 0.00 C ATOM 1387 O SER A 86 1.595 -13.645 10.164 1.00 0.00 O ATOM 1388 CB SER A 86 -0.606 -11.871 11.962 1.00 0.00 C ATOM 1389 OG SER A 86 -0.744 -10.787 12.844 1.00 0.00 O ATOM 0 H SER A 86 -0.648 -10.184 10.051 1.00 0.00 H new ATOM 0 HA SER A 86 1.476 -11.536 11.570 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.530 -12.010 11.401 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.436 -12.787 12.527 1.00 0.00 H new ATOM 0 HG SER A 86 -1.493 -10.954 13.453 1.00 0.00 H new ATOM 1395 N THR A 87 -0.243 -12.847 9.076 1.00 0.00 N ATOM 1396 CA THR A 87 -0.173 -13.932 8.116 1.00 0.00 C ATOM 1397 C THR A 87 -1.143 -13.689 6.957 1.00 0.00 C ATOM 1398 O THR A 87 -2.354 -13.610 7.128 1.00 0.00 O ATOM 1399 CB THR A 87 -0.495 -15.256 8.812 1.00 0.00 C ATOM 1400 OG1 THR A 87 -0.378 -16.309 7.889 1.00 0.00 O ATOM 1401 CG2 THR A 87 -1.901 -15.259 9.411 1.00 0.00 C ATOM 0 H THR A 87 -1.002 -12.177 8.954 1.00 0.00 H new ATOM 0 HA THR A 87 0.837 -13.979 7.709 1.00 0.00 H new ATOM 0 HB THR A 87 0.215 -15.385 9.629 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.582 -17.158 8.334 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.088 -16.217 9.895 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.985 -14.459 10.146 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.634 -15.103 8.619 1.00 0.00 H new ATOM 1409 N SER A 88 -0.519 -13.599 5.768 1.00 0.00 N ATOM 1410 CA SER A 88 -1.325 -13.533 4.563 1.00 0.00 C ATOM 1411 C SER A 88 -2.132 -12.235 4.515 1.00 0.00 C ATOM 1412 O SER A 88 -2.622 -11.731 5.519 1.00 0.00 O ATOM 1413 CB SER A 88 -2.277 -14.728 4.517 1.00 0.00 C ATOM 1414 OG SER A 88 -3.053 -14.700 3.347 1.00 0.00 O ATOM 0 H SER A 88 0.491 -13.572 5.630 1.00 0.00 H new ATOM 0 HA SER A 88 -0.658 -13.557 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.706 -15.656 4.559 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.928 -14.715 5.391 1.00 0.00 H new ATOM 0 HG SER A 88 -3.655 -15.473 3.335 1.00 0.00 H new ATOM 1420 N VAL A 89 -2.243 -11.750 3.265 1.00 0.00 N ATOM 1421 CA VAL A 89 -3.111 -10.611 3.029 1.00 0.00 C ATOM 1422 C VAL A 89 -3.726 -10.705 1.624 1.00 0.00 C ATOM 1423 O VAL A 89 -3.806 -9.730 0.889 1.00 0.00 O ATOM 1424 CB VAL A 89 -2.332 -9.302 3.196 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -1.237 -9.165 2.137 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -3.275 -8.099 3.155 1.00 0.00 C ATOM 0 H VAL A 89 -1.761 -12.117 2.444 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.917 -10.620 3.763 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.849 -9.328 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.704 -8.226 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.538 -9.997 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.687 -9.175 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.699 -7.181 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.796 -8.078 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.003 -8.180 3.962 1.00 0.00 H new ATOM 1436 N SER A 90 -4.146 -11.946 1.312 1.00 0.00 N ATOM 1437 CA SER A 90 -4.737 -12.191 0.009 1.00 0.00 C ATOM 1438 C SER A 90 -5.047 -13.683 -0.136 1.00 0.00 C ATOM 1439 O SER A 90 -4.158 -14.525 -0.184 1.00 0.00 O ATOM 1440 CB SER A 90 -3.775 -11.754 -1.096 1.00 0.00 C ATOM 1441 OG SER A 90 -4.336 -11.993 -2.362 1.00 0.00 O ATOM 0 H SER A 90 -4.086 -12.758 1.927 1.00 0.00 H new ATOM 0 HA SER A 90 -5.659 -11.616 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.546 -10.694 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.834 -12.295 -1.001 1.00 0.00 H new ATOM 0 HG SER A 90 -3.648 -11.881 -3.051 1.00 0.00 H new ATOM 1447 N ARG A 91 -6.363 -13.944 -0.206 1.00 0.00 N ATOM 1448 CA ARG A 91 -6.775 -15.332 -0.363 1.00 0.00 C ATOM 1449 C ARG A 91 -6.209 -15.992 -1.642 1.00 0.00 C ATOM 1450 O ARG A 91 -6.454 -17.165 -1.896 1.00 0.00 O ATOM 1451 CB ARG A 91 -8.301 -15.404 -0.387 1.00 0.00 C ATOM 1452 CG ARG A 91 -8.920 -14.801 0.875 1.00 0.00 C ATOM 1453 CD ARG A 91 -10.447 -14.873 0.853 1.00 0.00 C ATOM 1454 NE ARG A 91 -10.992 -14.295 2.066 1.00 0.00 N ATOM 1455 CZ ARG A 91 -12.281 -13.909 2.078 1.00 0.00 C ATOM 1456 NH1 ARG A 91 -13.036 -14.055 0.991 1.00 0.00 N ATOM 1457 NH2 ARG A 91 -12.804 -13.379 3.179 1.00 0.00 N ATOM 0 H ARG A 91 -7.113 -13.254 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.371 -15.885 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.676 -14.875 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.614 -16.444 -0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.545 -15.329 1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.607 -13.761 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.831 -14.340 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.768 -15.910 0.759 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.409 -14.183 2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.638 -14.461 0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.013 -13.761 1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.228 -13.265 4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.781 -13.086 3.190 1.00 0.00 H new ATOM 1471 N ASN A 92 -5.454 -15.199 -2.430 1.00 0.00 N ATOM 1472 CA ASN A 92 -4.917 -15.757 -3.656 1.00 0.00 C ATOM 1473 C ASN A 92 -3.918 -16.871 -3.333 1.00 0.00 C ATOM 1474 O ASN A 92 -4.067 -18.011 -3.756 1.00 0.00 O ATOM 1475 CB ASN A 92 -4.233 -14.654 -4.466 1.00 0.00 C ATOM 1476 CG ASN A 92 -5.238 -13.546 -4.786 1.00 0.00 C ATOM 1477 OD1 ASN A 92 -4.671 -12.328 -4.856 1.00 0.00 O flip ATOM 1478 ND2 ASN A 92 -6.430 -13.778 -4.946 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.220 -14.224 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.732 -16.179 -4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.394 -14.245 -3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.827 -15.067 -5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.777 -14.734 -4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.075 -13.015 -5.150 1.00 0.00 H new ATOM 1485 N GLN A 93 -2.894 -16.461 -2.563 1.00 0.00 N ATOM 1486 CA GLN A 93 -1.872 -17.433 -2.224 1.00 0.00 C ATOM 1487 C GLN A 93 -1.027 -16.940 -1.044 1.00 0.00 C ATOM 1488 O GLN A 93 0.186 -17.112 -1.008 1.00 0.00 O ATOM 1489 CB GLN A 93 -0.979 -17.678 -3.439 1.00 0.00 C ATOM 1490 CG GLN A 93 -0.270 -16.401 -3.893 1.00 0.00 C ATOM 1491 CD GLN A 93 0.605 -16.698 -5.113 1.00 0.00 C ATOM 1492 OE1 GLN A 93 1.770 -17.058 -5.000 1.00 0.00 O ATOM 1493 NE2 GLN A 93 -0.039 -16.511 -6.279 1.00 0.00 N ATOM 0 H GLN A 93 -2.764 -15.521 -2.189 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.356 -18.365 -1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.237 -18.439 -3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.581 -18.070 -4.259 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.005 -15.634 -4.139 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.343 -16.007 -3.082 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.013 -16.209 -6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.447 -16.671 -7.161 1.00 0.00 H new ATOM 1502 N GLN A 94 -1.742 -16.321 -0.085 1.00 0.00 N ATOM 1503 CA GLN A 94 -1.042 -15.852 1.094 1.00 0.00 C ATOM 1504 C GLN A 94 -0.010 -14.791 0.706 1.00 0.00 C ATOM 1505 O GLN A 94 0.835 -14.994 -0.159 1.00 0.00 O ATOM 1506 CB GLN A 94 -0.353 -17.028 1.785 1.00 0.00 C ATOM 1507 CG GLN A 94 -1.351 -18.111 2.200 1.00 0.00 C ATOM 1508 CD GLN A 94 -0.611 -19.261 2.884 1.00 0.00 C ATOM 1509 OE1 GLN A 94 0.578 -19.535 2.317 1.00 0.00 O flip ATOM 1510 NE2 GLN A 94 -1.080 -19.846 3.854 1.00 0.00 N flip ATOM 0 H GLN A 94 -2.747 -16.147 -0.109 1.00 0.00 H new ATOM 0 HA GLN A 94 -1.760 -15.405 1.782 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.391 -17.458 1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.181 -16.670 2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -2.096 -17.692 2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.886 -18.480 1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.992 -19.574 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.559 -20.605 4.293 1.00 0.00 H new ATOM 1519 N ILE A 95 -0.140 -13.651 1.409 1.00 0.00 N ATOM 1520 CA ILE A 95 0.790 -12.571 1.146 1.00 0.00 C ATOM 1521 C ILE A 95 1.131 -11.850 2.453 1.00 0.00 C ATOM 1522 O ILE A 95 0.287 -11.645 3.317 1.00 0.00 O ATOM 1523 CB ILE A 95 0.179 -11.597 0.138 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.269 -12.341 -1.119 1.00 0.00 C ATOM 1525 CG2 ILE A 95 1.170 -10.487 -0.212 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -0.853 -11.393 -2.166 1.00 0.00 C ATOM 0 H ILE A 95 -0.845 -13.470 2.124 1.00 0.00 H new ATOM 0 HA ILE A 95 1.709 -12.978 0.724 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.697 -11.135 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.580 -12.875 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.015 -13.090 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.714 -9.806 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.435 -9.938 0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.068 -10.925 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.159 -11.963 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.718 -10.878 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.099 -10.660 -2.454 1.00 0.00 H new ATOM 1538 N PHE A 96 2.424 -11.492 2.537 1.00 0.00 N ATOM 1539 CA PHE A 96 2.870 -10.806 3.736 1.00 0.00 C ATOM 1540 C PHE A 96 3.231 -9.359 3.393 1.00 0.00 C ATOM 1541 O PHE A 96 3.717 -9.060 2.310 1.00 0.00 O ATOM 1542 CB PHE A 96 4.097 -11.516 4.317 1.00 0.00 C ATOM 1543 CG PHE A 96 3.828 -12.966 4.602 1.00 0.00 C ATOM 1544 CD1 PHE A 96 2.501 -13.413 4.938 1.00 0.00 C ATOM 1545 CD2 PHE A 96 4.904 -13.922 4.538 1.00 0.00 C ATOM 1546 CE1 PHE A 96 2.250 -14.804 5.208 1.00 0.00 C ATOM 1547 CE2 PHE A 96 4.657 -15.313 4.809 1.00 0.00 C ATOM 1548 CZ PHE A 96 3.329 -15.754 5.144 1.00 0.00 C ATOM 0 H PHE A 96 3.136 -11.659 1.826 1.00 0.00 H new ATOM 0 HA PHE A 96 2.068 -10.817 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.929 -11.433 3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.403 -11.017 5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 96 1.690 -12.701 4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.901 -13.593 4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 96 1.253 -15.135 5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 96 5.467 -16.025 4.761 1.00 0.00 H new ATOM 0 HZ PHE A 96 3.142 -16.798 5.347 1.00 0.00 H new ATOM 1558 N LEU A 97 2.967 -8.486 4.382 1.00 0.00 N ATOM 1559 CA LEU A 97 3.357 -7.106 4.166 1.00 0.00 C ATOM 1560 C LEU A 97 4.785 -6.898 4.678 1.00 0.00 C ATOM 1561 O LEU A 97 5.085 -7.079 5.852 1.00 0.00 O ATOM 1562 CB LEU A 97 2.398 -6.155 4.883 1.00 0.00 C ATOM 1563 CG LEU A 97 0.964 -6.269 4.363 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.045 -5.300 5.110 1.00 0.00 C ATOM 1565 CD2 LEU A 97 0.905 -6.006 2.858 1.00 0.00 C ATOM 0 H LEU A 97 2.518 -8.700 5.272 1.00 0.00 H new ATOM 0 HA LEU A 97 3.316 -6.889 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.412 -6.368 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.746 -5.130 4.758 1.00 0.00 H new ATOM 0 HG LEU A 97 0.619 -7.287 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.971 -5.394 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.055 -5.536 6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.395 -4.279 4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.125 -6.093 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.274 -5.002 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.525 -6.735 2.337 1.00 0.00 H new ATOM 1577 N ARG A 98 5.637 -6.514 3.711 1.00 0.00 N ATOM 1578 CA ARG A 98 7.031 -6.320 4.063 1.00 0.00 C ATOM 1579 C ARG A 98 7.461 -4.891 3.726 1.00 0.00 C ATOM 1580 O ARG A 98 6.995 -4.280 2.771 1.00 0.00 O ATOM 1581 CB ARG A 98 7.900 -7.325 3.308 1.00 0.00 C ATOM 1582 CG ARG A 98 7.526 -8.769 3.644 1.00 0.00 C ATOM 1583 CD ARG A 98 8.404 -9.774 2.898 1.00 0.00 C ATOM 1584 NE ARG A 98 8.034 -11.127 3.267 1.00 0.00 N ATOM 1585 CZ ARG A 98 8.404 -11.592 4.475 1.00 0.00 C ATOM 1586 NH1 ARG A 98 9.096 -10.820 5.309 1.00 0.00 N ATOM 1587 NH2 ARG A 98 8.076 -12.830 4.837 1.00 0.00 N ATOM 0 H ARG A 98 5.393 -6.343 2.736 1.00 0.00 H new ATOM 0 HA ARG A 98 7.155 -6.480 5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.794 -7.163 2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.948 -7.155 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.624 -8.929 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.480 -8.942 3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.292 -9.638 1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.453 -9.598 3.134 1.00 0.00 H new ATOM 0 HE ARG A 98 7.504 -11.715 2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.349 -9.871 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.374 -11.177 6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.546 -13.424 4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.355 -13.185 5.752 1.00 0.00 H new ATOM 1601 N ASP A 99 8.377 -4.406 4.583 1.00 0.00 N ATOM 1602 CA ASP A 99 8.874 -3.061 4.371 1.00 0.00 C ATOM 1603 C ASP A 99 9.476 -2.947 2.969 1.00 0.00 C ATOM 1604 O ASP A 99 10.387 -3.676 2.592 1.00 0.00 O ATOM 1605 CB ASP A 99 9.928 -2.727 5.427 1.00 0.00 C ATOM 1606 CG ASP A 99 9.319 -2.851 6.825 1.00 0.00 C ATOM 1607 OD1 ASP A 99 8.502 -2.005 7.188 1.00 0.00 O ATOM 1608 OD2 ASP A 99 9.671 -3.791 7.538 1.00 0.00 O ATOM 0 H ASP A 99 8.764 -4.904 5.385 1.00 0.00 H new ATOM 0 HA ASP A 99 8.050 -2.354 4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.779 -3.401 5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.303 -1.715 5.272 1.00 0.00 H new ATOM 1613 N ILE A 100 8.898 -1.982 2.232 1.00 0.00 N ATOM 1614 CA ILE A 100 9.366 -1.754 0.880 1.00 0.00 C ATOM 1615 C ILE A 100 10.854 -1.382 0.912 1.00 0.00 C ATOM 1616 O ILE A 100 11.649 -1.984 1.620 1.00 0.00 O ATOM 1617 CB ILE A 100 8.433 -0.731 0.221 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.559 -0.715 -1.302 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.547 0.670 0.825 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.500 0.181 -1.938 1.00 0.00 C ATOM 0 H ILE A 100 8.138 -1.377 2.544 1.00 0.00 H new ATOM 0 HA ILE A 100 9.320 -2.647 0.257 1.00 0.00 H new ATOM 0 HB ILE A 100 7.423 -1.073 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.552 -0.364 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.459 -1.730 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.860 1.344 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.294 0.631 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.568 1.035 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.617 0.170 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.508 -0.187 -1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.617 1.200 -1.570 1.00 0.00 H new ATOM 1632 N GLU A 101 11.174 -0.366 0.101 1.00 0.00 N ATOM 1633 CA GLU A 101 12.552 0.069 0.023 1.00 0.00 C ATOM 1634 C GLU A 101 12.812 1.156 1.069 1.00 0.00 C ATOM 1635 O GLU A 101 12.360 2.288 0.951 1.00 0.00 O ATOM 1636 CB GLU A 101 12.792 0.628 -1.376 1.00 0.00 C ATOM 1637 CG GLU A 101 12.807 -0.468 -2.441 1.00 0.00 C ATOM 1638 CD GLU A 101 13.052 0.151 -3.819 1.00 0.00 C ATOM 1639 OE1 GLU A 101 12.558 1.251 -4.064 1.00 0.00 O ATOM 1640 OE2 GLU A 101 13.736 -0.472 -4.630 1.00 0.00 O ATOM 0 H GLU A 101 10.517 0.147 -0.486 1.00 0.00 H new ATOM 0 HA GLU A 101 13.225 -0.766 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.014 1.353 -1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.742 1.163 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.586 -1.196 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.858 -1.005 -2.437 1.00 0.00 H new ATOM 1647 N GLN A 102 13.581 0.733 2.088 1.00 0.00 N ATOM 1648 CA GLN A 102 13.941 1.687 3.116 1.00 0.00 C ATOM 1649 C GLN A 102 15.425 2.040 2.989 1.00 0.00 C ATOM 1650 O GLN A 102 16.308 1.251 3.303 1.00 0.00 O ATOM 1651 CB GLN A 102 13.671 1.084 4.494 1.00 0.00 C ATOM 1652 CG GLN A 102 12.178 0.915 4.782 1.00 0.00 C ATOM 1653 CD GLN A 102 11.553 -0.075 3.797 1.00 0.00 C ATOM 1654 OE1 GLN A 102 10.699 0.509 2.937 1.00 0.00 O flip ATOM 1655 NE2 GLN A 102 11.820 -1.270 3.825 1.00 0.00 N flip ATOM 0 H GLN A 102 13.942 -0.213 2.209 1.00 0.00 H new ATOM 0 HA GLN A 102 13.343 2.591 2.997 1.00 0.00 H new ATOM 0 HB2 GLN A 102 14.163 0.114 4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 102 14.114 1.722 5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.036 0.561 5.803 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.675 1.879 4.707 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.482 -1.629 4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.381 -1.906 3.160 1.00 0.00 H new ATOM 1664 N VAL A 103 15.629 3.283 2.518 1.00 0.00 N ATOM 1665 CA VAL A 103 16.996 3.765 2.414 1.00 0.00 C ATOM 1666 C VAL A 103 17.751 3.519 3.729 1.00 0.00 C ATOM 1667 O VAL A 103 18.719 2.768 3.771 1.00 0.00 O ATOM 1668 CB VAL A 103 17.083 5.227 1.954 1.00 0.00 C ATOM 1669 CG1 VAL A 103 17.868 5.308 0.646 1.00 0.00 C ATOM 1670 CG2 VAL A 103 15.708 5.878 1.775 1.00 0.00 C ATOM 0 H VAL A 103 14.902 3.933 2.221 1.00 0.00 H new ATOM 0 HA VAL A 103 17.487 3.189 1.629 1.00 0.00 H new ATOM 0 HB VAL A 103 17.597 5.781 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 103 17.928 6.347 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 103 18.874 4.917 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 103 17.363 4.718 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.834 6.910 1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.140 5.328 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.171 5.860 2.723 1.00 0.00 H new ATOM 1680 N PRO A 104 17.261 4.170 4.811 1.00 0.00 N ATOM 1681 CA PRO A 104 17.795 3.956 6.148 1.00 0.00 C ATOM 1682 C PRO A 104 18.032 2.486 6.484 1.00 0.00 C ATOM 1683 O PRO A 104 17.158 1.642 6.333 1.00 0.00 O ATOM 1684 CB PRO A 104 16.731 4.528 7.080 1.00 0.00 C ATOM 1685 CG PRO A 104 15.961 5.547 6.234 1.00 0.00 C ATOM 1686 CD PRO A 104 16.138 5.099 4.781 1.00 0.00 C ATOM 0 HA PRO A 104 18.772 4.430 6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 104 16.070 3.745 7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 104 17.184 5.002 7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 104 14.907 5.569 6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.351 6.554 6.383 1.00 0.00 H new ATOM 0 HD2 PRO A 104 15.236 4.617 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.344 5.947 4.128 1.00 0.00 H new ATOM 1694 N GLN A 105 19.275 2.267 6.950 1.00 0.00 N ATOM 1695 CA GLN A 105 19.714 0.970 7.443 1.00 0.00 C ATOM 1696 C GLN A 105 20.699 0.341 6.454 1.00 0.00 C ATOM 1697 O GLN A 105 20.365 0.016 5.322 1.00 0.00 O ATOM 1698 CB GLN A 105 18.556 0.009 7.729 1.00 0.00 C ATOM 1699 CG GLN A 105 17.594 0.553 8.788 1.00 0.00 C ATOM 1700 CD GLN A 105 16.477 -0.462 9.042 1.00 0.00 C ATOM 1701 OE1 GLN A 105 16.911 -1.735 9.034 1.00 0.00 O flip ATOM 1702 NE2 GLN A 105 15.316 -0.115 9.223 1.00 0.00 N flip ATOM 0 H GLN A 105 19.994 2.989 6.991 1.00 0.00 H new ATOM 0 HA GLN A 105 20.210 1.146 8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 105 18.007 -0.179 6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 105 18.956 -0.948 8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 105 18.133 0.754 9.714 1.00 0.00 H new ATOM 0 HG3 GLN A 105 17.169 1.500 8.455 1.00 0.00 H new ATOM 0 HE21 GLN A 105 15.072 0.875 9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 105 14.593 -0.817 9.384 1.00 0.00 H new ATOM 1711 N GLN A 106 21.930 0.194 6.976 1.00 0.00 N ATOM 1712 CA GLN A 106 22.968 -0.407 6.160 1.00 0.00 C ATOM 1713 C GLN A 106 23.620 -1.554 6.935 1.00 0.00 C ATOM 1714 O GLN A 106 23.665 -1.566 8.159 1.00 0.00 O ATOM 1715 CB GLN A 106 24.015 0.649 5.802 1.00 0.00 C ATOM 1716 CG GLN A 106 23.419 1.787 4.975 1.00 0.00 C ATOM 1717 CD GLN A 106 22.879 1.238 3.653 1.00 0.00 C ATOM 1718 OE1 GLN A 106 21.546 1.371 3.534 1.00 0.00 O flip ATOM 1719 NE2 GLN A 106 23.614 0.736 2.812 1.00 0.00 N flip ATOM 0 H GLN A 106 22.211 0.472 7.916 1.00 0.00 H new ATOM 0 HA GLN A 106 22.533 -0.798 5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 106 24.449 1.054 6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 106 24.826 0.181 5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 106 22.618 2.273 5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 106 24.178 2.545 4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 106 24.618 0.675 2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 106 23.223 0.379 1.940 1.00 0.00 H new ATOM 1728 N PRO A 107 24.118 -2.526 6.140 1.00 0.00 N ATOM 1729 CA PRO A 107 24.781 -3.711 6.669 1.00 0.00 C ATOM 1730 C PRO A 107 26.128 -3.322 7.290 1.00 0.00 C ATOM 1731 O PRO A 107 26.261 -2.298 7.948 1.00 0.00 O ATOM 1732 CB PRO A 107 24.914 -4.607 5.427 1.00 0.00 C ATOM 1733 CG PRO A 107 24.915 -3.646 4.235 1.00 0.00 C ATOM 1734 CD PRO A 107 24.043 -2.475 4.688 1.00 0.00 C ATOM 0 HA PRO A 107 24.246 -4.218 7.472 1.00 0.00 H new ATOM 0 HB2 PRO A 107 25.833 -5.193 5.461 1.00 0.00 H new ATOM 0 HB3 PRO A 107 24.087 -5.314 5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 107 25.925 -3.318 3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 107 24.509 -4.121 3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 107 24.415 -1.526 4.302 1.00 0.00 H new ATOM 0 HD3 PRO A 107 23.017 -2.581 4.337 1.00 0.00 H new ATOM 1742 N THR A 108 27.111 -4.189 7.014 1.00 0.00 N ATOM 1743 CA THR A 108 28.444 -3.914 7.513 1.00 0.00 C ATOM 1744 C THR A 108 29.452 -4.848 6.839 1.00 0.00 C ATOM 1745 O THR A 108 29.325 -6.065 6.864 1.00 0.00 O ATOM 1746 CB THR A 108 28.480 -4.108 9.029 1.00 0.00 C ATOM 1747 OG1 THR A 108 27.531 -3.269 9.635 1.00 0.00 O ATOM 1748 CG2 THR A 108 29.865 -3.813 9.609 1.00 0.00 C ATOM 0 H THR A 108 27.008 -5.047 6.472 1.00 0.00 H new ATOM 0 HA THR A 108 28.708 -2.882 7.282 1.00 0.00 H new ATOM 0 HB THR A 108 28.246 -5.152 9.235 1.00 0.00 H new ATOM 0 HG1 THR A 108 27.335 -2.514 9.041 1.00 0.00 H new ATOM 0 HG21 THR A 108 29.847 -3.963 10.688 1.00 0.00 H new ATOM 0 HG22 THR A 108 30.597 -4.485 9.162 1.00 0.00 H new ATOM 0 HG23 THR A 108 30.139 -2.781 9.391 1.00 0.00 H new ATOM 1756 N TYR A 109 30.461 -4.187 6.243 1.00 0.00 N ATOM 1757 CA TYR A 109 31.496 -4.965 5.588 1.00 0.00 C ATOM 1758 C TYR A 109 32.697 -4.072 5.268 1.00 0.00 C ATOM 1759 O TYR A 109 33.260 -4.110 4.180 1.00 0.00 O ATOM 1760 CB TYR A 109 30.941 -5.586 4.306 1.00 0.00 C ATOM 1761 CG TYR A 109 31.975 -6.418 3.605 1.00 0.00 C ATOM 1762 CD1 TYR A 109 32.947 -7.163 4.363 1.00 0.00 C ATOM 1763 CD2 TYR A 109 32.001 -6.478 2.165 1.00 0.00 C ATOM 1764 CE1 TYR A 109 33.938 -7.962 3.690 1.00 0.00 C ATOM 1765 CE2 TYR A 109 32.990 -7.275 1.489 1.00 0.00 C ATOM 1766 CZ TYR A 109 33.958 -8.016 2.253 1.00 0.00 C ATOM 1767 OH TYR A 109 34.907 -8.781 1.606 1.00 0.00 O ATOM 0 H TYR A 109 30.571 -3.174 6.206 1.00 0.00 H new ATOM 0 HA TYR A 109 31.822 -5.763 6.255 1.00 0.00 H new ATOM 0 HB2 TYR A 109 30.076 -6.204 4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 109 30.594 -4.797 3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 109 32.933 -7.122 5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 109 31.275 -5.922 1.591 1.00 0.00 H new ATOM 0 HE1 TYR A 109 34.664 -8.519 4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 109 33.006 -7.317 0.410 1.00 0.00 H new ATOM 0 HH TYR A 109 34.780 -8.709 0.637 1.00 0.00 H new ATOM 1777 N VAL A 110 33.042 -3.266 6.288 1.00 0.00 N ATOM 1778 CA VAL A 110 34.165 -2.367 6.105 1.00 0.00 C ATOM 1779 C VAL A 110 35.463 -3.073 6.500 1.00 0.00 C ATOM 1780 O VAL A 110 35.633 -3.539 7.619 1.00 0.00 O ATOM 1781 CB VAL A 110 33.963 -1.111 6.951 1.00 0.00 C ATOM 1782 CG1 VAL A 110 33.830 -1.478 8.428 1.00 0.00 C ATOM 1783 CG2 VAL A 110 35.108 -0.120 6.738 1.00 0.00 C ATOM 0 H VAL A 110 32.580 -3.225 7.197 1.00 0.00 H new ATOM 0 HA VAL A 110 34.230 -2.077 5.056 1.00 0.00 H new ATOM 0 HB VAL A 110 33.039 -0.629 6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 110 33.687 -0.572 9.017 1.00 0.00 H new ATOM 0 HG12 VAL A 110 32.973 -2.138 8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 110 34.735 -1.987 8.759 1.00 0.00 H new ATOM 0 HG21 VAL A 110 34.941 0.766 7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 110 36.051 -0.587 7.023 1.00 0.00 H new ATOM 0 HG23 VAL A 110 35.149 0.168 5.688 1.00 0.00 H new ATOM 1793 N GLN A 111 36.362 -3.116 5.499 1.00 0.00 N ATOM 1794 CA GLN A 111 37.634 -3.765 5.750 1.00 0.00 C ATOM 1795 C GLN A 111 38.221 -3.257 7.068 1.00 0.00 C ATOM 1796 O GLN A 111 38.471 -2.071 7.251 1.00 0.00 O ATOM 1797 CB GLN A 111 38.596 -3.477 4.597 1.00 0.00 C ATOM 1798 CG GLN A 111 38.043 -3.965 3.258 1.00 0.00 C ATOM 1799 CD GLN A 111 39.037 -3.651 2.139 1.00 0.00 C ATOM 1800 OE1 GLN A 111 39.302 -2.502 1.811 1.00 0.00 O ATOM 1801 NE2 GLN A 111 39.562 -4.756 1.578 1.00 0.00 N ATOM 0 H GLN A 111 36.232 -2.729 4.564 1.00 0.00 H new ATOM 0 HA GLN A 111 37.483 -4.842 5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 111 38.786 -2.405 4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 111 39.553 -3.961 4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 111 37.857 -5.038 3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 111 37.087 -3.484 3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 111 39.285 -5.679 1.913 1.00 0.00 H new ATOM 0 HE22 GLN A 111 40.237 -4.671 0.818 1.00 0.00 H new ATOM 1810 N ALA A 112 38.422 -4.237 7.967 1.00 0.00 N ATOM 1811 CA ALA A 112 38.978 -3.877 9.257 1.00 0.00 C ATOM 1812 C ALA A 112 38.229 -2.669 9.822 1.00 0.00 C ATOM 1813 O ALA A 112 37.092 -2.438 9.413 1.00 0.00 O ATOM 1814 CB ALA A 112 40.465 -3.554 9.105 1.00 0.00 C ATOM 1815 OXT ALA A 112 38.793 -1.969 10.662 1.00 0.00 O ATOM 0 H ALA A 112 38.218 -5.226 7.827 1.00 0.00 H new ATOM 0 HA ALA A 112 38.868 -4.714 9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 112 40.880 -3.284 10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 112 40.989 -4.427 8.717 1.00 0.00 H new ATOM 0 HB3 ALA A 112 40.587 -2.720 8.414 1.00 0.00 H new TER 1821 ALA A 112