USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 934 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 98 ASN : amide:sc= -0.623! C(o=-5.1!,f=-5.4!) USER MOD Set 1.2: A 102 SER OG : rot -69:sc= -4.53! USER MOD Set 2.1: A 92 THR OG1 : rot -179:sc= -1.56! USER MOD Set 2.2: A 94 ASN : amide:sc= -0.295 K(o=-1.9,f=-3.5) USER MOD Set 3.1: A 60 SER OG : rot -81:sc= 0.408 USER MOD Set 3.2: A 61 SER OG : rot 180:sc= 0.00626 USER MOD Set 4.1: A 50 HIS :FLIP no HD1:sc= -6.84! C(o=-8.1!,f=-8!) USER MOD Set 4.2: A 51 ASN :FLIP amide:sc= -1.16 F(o=-9.8!,f=-8) USER MOD Set 5.1: A 25 TYR OH : rot 15:sc= 0 USER MOD Set 5.2: A 36 HIS :FLIP no HD1:sc= -12.5! C(o=-14!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 171:sc= 0 (180deg=-0.0686) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0468 X(o=-0.047,f=-0.16) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.901! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -3.44! C(o=-3.4!,f=-4.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -109:sc= -0.0778 (180deg=-1.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.094) USER MOD Single : A 45 CYS SG : rot 35:sc= -4.58! USER MOD Single : A 52 HIS : no HE2:sc= -2.52! C(o=-2.5!,f=-5.2!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 140:sc= -2.59 USER MOD Single : A 74 HIS : no HD1:sc= -15! C(o=-15!,f=-17!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.74! C(o=-1.7!,f=-2.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -21.9! C(o=-23!,f=-22!) USER MOD Single : A 101 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -165:sc= 0.00792 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 150:sc= -0.0593 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.188 32.729 13.891 1.00 0.00 N ATOM 2 CA GLY A 1 -28.870 32.939 15.157 1.00 0.00 C ATOM 3 C GLY A 1 -28.261 32.070 16.258 1.00 0.00 C ATOM 4 O GLY A 1 -28.984 31.435 17.024 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.711 33.209 13.131 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.225 33.117 13.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.140 31.710 13.687 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.804 33.990 15.440 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.929 32.704 15.047 1.00 0.00 H new ATOM 8 N ILE A 2 -26.936 32.069 16.304 1.00 0.00 N ATOM 9 CA ILE A 2 -26.222 31.288 17.299 1.00 0.00 C ATOM 10 C ILE A 2 -24.945 32.028 17.702 1.00 0.00 C ATOM 11 O ILE A 2 -24.003 32.120 16.917 1.00 0.00 O ATOM 12 CB ILE A 2 -25.974 29.867 16.788 1.00 0.00 C ATOM 13 CG1 ILE A 2 -25.531 29.881 15.324 1.00 0.00 C ATOM 14 CG2 ILE A 2 -27.203 28.983 17.007 1.00 0.00 C ATOM 15 CD1 ILE A 2 -24.007 29.963 15.213 1.00 0.00 C ATOM 0 H ILE A 2 -26.339 32.597 15.668 1.00 0.00 H new ATOM 0 HA ILE A 2 -26.825 31.177 18.200 1.00 0.00 H new ATOM 0 HB ILE A 2 -25.159 29.433 17.367 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -25.888 28.981 14.824 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -25.983 30.730 14.812 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -27.000 27.979 16.635 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -27.432 28.936 18.072 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -28.054 29.403 16.471 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -23.719 29.971 14.162 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -23.656 30.877 15.693 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -23.559 29.100 15.705 1.00 0.00 H new ATOM 27 N PRO A 3 -24.955 32.551 18.957 1.00 0.00 N ATOM 28 CA PRO A 3 -23.810 33.281 19.473 1.00 0.00 C ATOM 29 C PRO A 3 -22.673 32.326 19.843 1.00 0.00 C ATOM 30 O PRO A 3 -21.624 32.758 20.317 1.00 0.00 O ATOM 31 CB PRO A 3 -24.344 34.059 20.665 1.00 0.00 C ATOM 32 CG PRO A 3 -25.648 33.382 21.054 1.00 0.00 C ATOM 33 CD PRO A 3 -26.054 32.462 19.915 1.00 0.00 C ATOM 0 HA PRO A 3 -23.375 33.956 18.736 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -23.634 34.043 21.492 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -24.509 35.105 20.407 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -25.523 32.815 21.977 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -26.423 34.125 21.239 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -26.194 31.439 20.263 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -26.996 32.778 19.467 1.00 0.00 H new ATOM 41 N ASP A 4 -22.921 31.045 19.613 1.00 0.00 N ATOM 42 CA ASP A 4 -21.931 30.025 19.916 1.00 0.00 C ATOM 43 C ASP A 4 -21.428 29.405 18.611 1.00 0.00 C ATOM 44 O ASP A 4 -22.186 29.268 17.652 1.00 0.00 O ATOM 45 CB ASP A 4 -22.535 28.908 20.769 1.00 0.00 C ATOM 46 CG ASP A 4 -21.521 28.072 21.552 1.00 0.00 C ATOM 47 OD1 ASP A 4 -20.456 28.637 21.885 1.00 0.00 O ATOM 48 OD2 ASP A 4 -21.833 26.888 21.801 1.00 0.00 O ATOM 0 H ASP A 4 -23.793 30.690 19.220 1.00 0.00 H new ATOM 0 HA ASP A 4 -21.117 30.498 20.465 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -23.240 29.350 21.473 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -23.106 28.244 20.120 1.00 0.00 H new ATOM 53 N LEU A 5 -20.152 29.046 18.616 1.00 0.00 N ATOM 54 CA LEU A 5 -19.539 28.444 17.445 1.00 0.00 C ATOM 55 C LEU A 5 -19.287 29.526 16.393 1.00 0.00 C ATOM 56 O LEU A 5 -18.965 29.219 15.246 1.00 0.00 O ATOM 57 CB LEU A 5 -20.389 27.278 16.936 1.00 0.00 C ATOM 58 CG LEU A 5 -21.226 26.548 17.988 1.00 0.00 C ATOM 59 CD1 LEU A 5 -22.713 26.587 17.629 1.00 0.00 C ATOM 60 CD2 LEU A 5 -20.724 25.118 18.193 1.00 0.00 C ATOM 0 H LEU A 5 -19.526 29.161 19.413 1.00 0.00 H new ATOM 0 HA LEU A 5 -18.570 28.015 17.700 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -21.060 27.654 16.164 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -19.728 26.554 16.460 1.00 0.00 H new ATOM 0 HG LEU A 5 -21.110 27.069 18.938 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -23.286 26.061 18.393 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -23.047 27.623 17.574 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -22.867 26.105 16.664 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -21.336 24.622 18.946 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -20.791 24.571 17.253 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -19.687 25.141 18.527 1.00 0.00 H new ATOM 72 N VAL A 6 -19.442 30.770 16.821 1.00 0.00 N ATOM 73 CA VAL A 6 -19.235 31.900 15.931 1.00 0.00 C ATOM 74 C VAL A 6 -18.084 32.757 16.461 1.00 0.00 C ATOM 75 O VAL A 6 -17.030 32.234 16.819 1.00 0.00 O ATOM 76 CB VAL A 6 -20.539 32.684 15.769 1.00 0.00 C ATOM 77 CG1 VAL A 6 -20.462 33.634 14.572 1.00 0.00 C ATOM 78 CG2 VAL A 6 -21.735 31.739 15.643 1.00 0.00 C ATOM 0 H VAL A 6 -19.709 31.021 17.773 1.00 0.00 H new ATOM 0 HA VAL A 6 -18.952 31.556 14.936 1.00 0.00 H new ATOM 0 HB VAL A 6 -20.682 33.286 16.666 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -21.401 34.179 14.479 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -19.645 34.341 14.720 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -20.284 33.060 13.663 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -22.649 32.322 15.529 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -21.602 31.098 14.771 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -21.807 31.122 16.539 1.00 0.00 H new ATOM 88 N LYS A 7 -18.324 34.059 16.493 1.00 0.00 N ATOM 89 CA LYS A 7 -17.320 34.994 16.972 1.00 0.00 C ATOM 90 C LYS A 7 -15.938 34.536 16.502 1.00 0.00 C ATOM 91 O LYS A 7 -14.940 34.767 17.183 1.00 0.00 O ATOM 92 CB LYS A 7 -17.429 35.165 18.489 1.00 0.00 C ATOM 93 CG LYS A 7 -18.885 35.067 18.949 1.00 0.00 C ATOM 94 CD LYS A 7 -19.746 36.136 18.275 1.00 0.00 C ATOM 95 CE LYS A 7 -19.493 37.513 18.891 1.00 0.00 C ATOM 96 NZ LYS A 7 -20.372 38.529 18.269 1.00 0.00 N ATOM 0 H LYS A 7 -19.200 34.489 16.195 1.00 0.00 H new ATOM 0 HA LYS A 7 -17.488 35.985 16.550 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.834 34.400 18.988 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.016 36.131 18.780 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -19.278 34.078 18.715 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -18.937 35.183 20.032 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -19.526 36.165 17.208 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.800 35.876 18.376 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -19.674 37.476 19.965 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -18.449 37.793 18.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -20.187 39.458 18.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -20.180 38.576 17.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -21.367 38.268 18.423 1.00 0.00 H new ATOM 110 N GLY A 8 -15.924 33.897 15.342 1.00 0.00 N ATOM 111 CA GLY A 8 -14.681 33.405 14.773 1.00 0.00 C ATOM 112 C GLY A 8 -14.694 31.879 14.664 1.00 0.00 C ATOM 113 O GLY A 8 -14.106 31.188 15.495 1.00 0.00 O ATOM 0 H GLY A 8 -16.754 33.708 14.780 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.531 33.842 13.786 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.842 33.722 15.393 1.00 0.00 H new ATOM 117 N PRO A 9 -15.389 31.384 13.605 1.00 0.00 N ATOM 118 CA PRO A 9 -15.486 29.953 13.376 1.00 0.00 C ATOM 119 C PRO A 9 -14.173 29.396 12.820 1.00 0.00 C ATOM 120 O PRO A 9 -13.515 30.044 12.007 1.00 0.00 O ATOM 121 CB PRO A 9 -16.655 29.785 12.419 1.00 0.00 C ATOM 122 CG PRO A 9 -16.873 31.150 11.785 1.00 0.00 C ATOM 123 CD PRO A 9 -16.097 32.172 12.600 1.00 0.00 C ATOM 0 HA PRO A 9 -15.657 29.391 14.294 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.435 29.033 11.661 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.548 29.453 12.948 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.532 31.149 10.750 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.934 31.399 11.771 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.402 32.732 11.974 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.765 32.898 13.064 1.00 0.00 H new ATOM 131 N TRP A 10 -13.833 28.201 13.280 1.00 0.00 N ATOM 132 CA TRP A 10 -12.611 27.550 12.838 1.00 0.00 C ATOM 133 C TRP A 10 -12.948 26.690 11.619 1.00 0.00 C ATOM 134 O TRP A 10 -13.903 25.915 11.645 1.00 0.00 O ATOM 135 CB TRP A 10 -11.974 26.750 13.976 1.00 0.00 C ATOM 136 CG TRP A 10 -11.316 27.616 15.053 1.00 0.00 C ATOM 137 CD1 TRP A 10 -11.807 28.715 15.642 1.00 0.00 C ATOM 138 CD2 TRP A 10 -10.018 27.408 15.648 1.00 0.00 C ATOM 139 NE1 TRP A 10 -10.923 29.228 16.570 1.00 0.00 N ATOM 140 CE2 TRP A 10 -9.801 28.408 16.574 1.00 0.00 C ATOM 141 CE3 TRP A 10 -9.058 26.407 15.413 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -8.632 28.506 17.337 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -7.895 26.519 16.184 1.00 0.00 C ATOM 144 CH2 TRP A 10 -7.662 27.520 17.120 1.00 0.00 C ATOM 0 H TRP A 10 -14.382 27.667 13.954 1.00 0.00 H new ATOM 0 HA TRP A 10 -11.864 28.288 12.547 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -12.739 26.128 14.441 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -11.226 26.076 13.558 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -12.772 29.145 15.419 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -11.067 30.057 17.147 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -9.207 25.615 14.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.486 29.300 18.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -7.125 25.776 16.042 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -6.737 27.537 17.677 1.00 0.00 H new ATOM 155 N THR A 11 -12.144 26.854 10.578 1.00 0.00 N ATOM 156 CA THR A 11 -12.345 26.102 9.351 1.00 0.00 C ATOM 157 C THR A 11 -11.053 25.391 8.944 1.00 0.00 C ATOM 158 O THR A 11 -10.178 25.161 9.777 1.00 0.00 O ATOM 159 CB THR A 11 -12.869 27.067 8.286 1.00 0.00 C ATOM 160 OG1 THR A 11 -11.841 28.047 8.169 1.00 0.00 O ATOM 161 CG2 THR A 11 -14.087 27.861 8.763 1.00 0.00 C ATOM 0 H THR A 11 -11.352 27.497 10.559 1.00 0.00 H new ATOM 0 HA THR A 11 -13.084 25.313 9.487 1.00 0.00 H new ATOM 0 HB THR A 11 -13.129 26.508 7.387 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.098 28.712 7.497 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.419 28.530 7.969 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.893 27.173 9.018 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.818 28.446 9.642 1.00 0.00 H new ATOM 169 N LYS A 12 -10.975 25.062 7.663 1.00 0.00 N ATOM 170 CA LYS A 12 -9.805 24.382 7.135 1.00 0.00 C ATOM 171 C LYS A 12 -8.547 24.957 7.789 1.00 0.00 C ATOM 172 O LYS A 12 -7.812 24.240 8.466 1.00 0.00 O ATOM 173 CB LYS A 12 -9.789 24.450 5.607 1.00 0.00 C ATOM 174 CG LYS A 12 -8.766 23.473 5.024 1.00 0.00 C ATOM 175 CD LYS A 12 -7.608 24.221 4.362 1.00 0.00 C ATOM 176 CE LYS A 12 -7.835 24.361 2.855 1.00 0.00 C ATOM 177 NZ LYS A 12 -6.641 24.941 2.202 1.00 0.00 N ATOM 0 H LYS A 12 -11.703 25.254 6.975 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.838 23.321 7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.781 24.218 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.551 25.465 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.382 22.828 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.251 22.826 4.293 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.505 25.209 4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.675 23.688 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.055 23.385 2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.702 24.995 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.813 25.029 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.448 25.881 2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.822 24.321 2.363 1.00 0.00 H new ATOM 191 N GLU A 13 -8.339 26.246 7.564 1.00 0.00 N ATOM 192 CA GLU A 13 -7.183 26.926 8.124 1.00 0.00 C ATOM 193 C GLU A 13 -6.983 26.519 9.585 1.00 0.00 C ATOM 194 O GLU A 13 -5.852 26.435 10.061 1.00 0.00 O ATOM 195 CB GLU A 13 -7.322 28.444 7.991 1.00 0.00 C ATOM 196 CG GLU A 13 -5.960 29.102 7.760 1.00 0.00 C ATOM 197 CD GLU A 13 -5.618 30.068 8.896 1.00 0.00 C ATOM 198 OE1 GLU A 13 -6.569 30.689 9.419 1.00 0.00 O ATOM 199 OE2 GLU A 13 -4.414 30.165 9.216 1.00 0.00 O ATOM 0 H GLU A 13 -8.951 26.837 7.002 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.300 26.624 7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.989 28.680 7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.778 28.851 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.189 28.335 7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.968 29.639 6.811 1.00 0.00 H new ATOM 206 N GLU A 14 -8.100 26.278 10.257 1.00 0.00 N ATOM 207 CA GLU A 14 -8.062 25.882 11.654 1.00 0.00 C ATOM 208 C GLU A 14 -7.354 24.534 11.805 1.00 0.00 C ATOM 209 O GLU A 14 -6.600 24.327 12.754 1.00 0.00 O ATOM 210 CB GLU A 14 -9.471 25.832 12.248 1.00 0.00 C ATOM 211 CG GLU A 14 -9.934 24.386 12.438 1.00 0.00 C ATOM 212 CD GLU A 14 -11.458 24.282 12.348 1.00 0.00 C ATOM 213 OE1 GLU A 14 -11.966 24.364 11.208 1.00 0.00 O ATOM 214 OE2 GLU A 14 -12.081 24.124 13.420 1.00 0.00 O ATOM 0 H GLU A 14 -9.037 26.350 9.859 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.496 26.631 12.209 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.484 26.351 13.206 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.165 26.357 11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.477 23.751 11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.597 24.017 13.407 1.00 0.00 H new ATOM 221 N ASP A 15 -7.623 23.652 10.854 1.00 0.00 N ATOM 222 CA ASP A 15 -7.022 22.329 10.869 1.00 0.00 C ATOM 223 C ASP A 15 -5.512 22.458 10.661 1.00 0.00 C ATOM 224 O ASP A 15 -4.736 21.682 11.218 1.00 0.00 O ATOM 225 CB ASP A 15 -7.582 21.457 9.743 1.00 0.00 C ATOM 226 CG ASP A 15 -8.776 20.584 10.134 1.00 0.00 C ATOM 227 OD1 ASP A 15 -8.527 19.515 10.732 1.00 0.00 O ATOM 228 OD2 ASP A 15 -9.912 21.007 9.826 1.00 0.00 O ATOM 0 H ASP A 15 -8.249 23.827 10.068 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.248 21.866 11.830 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.879 22.103 8.917 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.785 20.812 9.373 1.00 0.00 H new ATOM 233 N GLN A 16 -5.139 23.443 9.857 1.00 0.00 N ATOM 234 CA GLN A 16 -3.735 23.683 9.568 1.00 0.00 C ATOM 235 C GLN A 16 -2.969 23.969 10.861 1.00 0.00 C ATOM 236 O GLN A 16 -1.773 23.697 10.952 1.00 0.00 O ATOM 237 CB GLN A 16 -3.569 24.828 8.568 1.00 0.00 C ATOM 238 CG GLN A 16 -3.442 26.172 9.288 1.00 0.00 C ATOM 239 CD GLN A 16 -1.998 26.676 9.257 1.00 0.00 C ATOM 240 OE1 GLN A 16 -1.389 26.827 8.211 1.00 0.00 O ATOM 241 NE2 GLN A 16 -1.487 26.928 10.458 1.00 0.00 N ATOM 0 H GLN A 16 -5.785 24.084 9.397 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.319 22.784 9.113 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.684 24.655 7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.424 24.853 7.893 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.097 26.905 8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.772 26.068 10.321 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.052 26.780 11.294 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.530 27.270 10.543 1.00 0.00 H new ATOM 250 N LYS A 17 -3.690 24.516 11.830 1.00 0.00 N ATOM 251 CA LYS A 17 -3.093 24.842 13.114 1.00 0.00 C ATOM 252 C LYS A 17 -2.848 23.553 13.900 1.00 0.00 C ATOM 253 O LYS A 17 -1.771 23.358 14.461 1.00 0.00 O ATOM 254 CB LYS A 17 -3.953 25.864 13.860 1.00 0.00 C ATOM 255 CG LYS A 17 -3.086 26.787 14.719 1.00 0.00 C ATOM 256 CD LYS A 17 -3.943 27.828 15.442 1.00 0.00 C ATOM 257 CE LYS A 17 -3.166 29.129 15.651 1.00 0.00 C ATOM 258 NZ LYS A 17 -4.038 30.299 15.401 1.00 0.00 N ATOM 0 H LYS A 17 -4.682 24.741 11.751 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.123 25.318 12.973 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.523 26.457 13.144 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.675 25.346 14.491 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.532 26.196 15.449 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.350 27.289 14.091 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.844 28.028 14.863 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.264 27.433 16.406 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.778 29.168 16.669 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.307 29.158 14.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.495 31.174 15.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.388 30.268 14.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.844 30.278 16.058 1.00 0.00 H new ATOM 272 N VAL A 18 -3.867 22.705 13.917 1.00 0.00 N ATOM 273 CA VAL A 18 -3.776 21.440 14.625 1.00 0.00 C ATOM 274 C VAL A 18 -2.557 20.665 14.121 1.00 0.00 C ATOM 275 O VAL A 18 -1.997 19.842 14.844 1.00 0.00 O ATOM 276 CB VAL A 18 -5.084 20.661 14.475 1.00 0.00 C ATOM 277 CG1 VAL A 18 -4.836 19.153 14.553 1.00 0.00 C ATOM 278 CG2 VAL A 18 -6.109 21.103 15.522 1.00 0.00 C ATOM 0 H VAL A 18 -4.759 22.870 13.452 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.635 21.609 15.693 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.495 20.883 13.490 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.782 18.623 14.444 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.158 18.854 13.754 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.391 18.907 15.517 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.030 20.534 15.393 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.709 20.925 16.520 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.319 22.165 15.399 1.00 0.00 H new ATOM 288 N ILE A 19 -2.182 20.954 12.884 1.00 0.00 N ATOM 289 CA ILE A 19 -1.039 20.294 12.274 1.00 0.00 C ATOM 290 C ILE A 19 0.249 20.836 12.896 1.00 0.00 C ATOM 291 O ILE A 19 1.056 20.073 13.426 1.00 0.00 O ATOM 292 CB ILE A 19 -1.092 20.431 10.751 1.00 0.00 C ATOM 293 CG1 ILE A 19 -1.930 19.312 10.129 1.00 0.00 C ATOM 294 CG2 ILE A 19 0.317 20.489 10.157 1.00 0.00 C ATOM 295 CD1 ILE A 19 -3.107 18.942 11.034 1.00 0.00 C ATOM 0 H ILE A 19 -2.649 21.636 12.287 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.064 19.223 12.476 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.583 21.374 10.509 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.301 19.629 9.155 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.305 18.435 9.962 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.251 20.586 9.073 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.850 21.347 10.567 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.855 19.575 10.407 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.687 18.145 10.569 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.731 18.602 11.999 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.743 19.815 11.179 1.00 0.00 H new ATOM 307 N GLU A 20 0.402 22.150 12.812 1.00 0.00 N ATOM 308 CA GLU A 20 1.579 22.803 13.360 1.00 0.00 C ATOM 309 C GLU A 20 1.598 22.669 14.884 1.00 0.00 C ATOM 310 O GLU A 20 2.654 22.774 15.506 1.00 0.00 O ATOM 311 CB GLU A 20 1.637 24.272 12.937 1.00 0.00 C ATOM 312 CG GLU A 20 2.903 24.946 13.471 1.00 0.00 C ATOM 313 CD GLU A 20 3.502 25.892 12.428 1.00 0.00 C ATOM 314 OE1 GLU A 20 3.892 25.382 11.356 1.00 0.00 O ATOM 315 OE2 GLU A 20 3.555 27.105 12.726 1.00 0.00 O ATOM 0 H GLU A 20 -0.270 22.780 12.373 1.00 0.00 H new ATOM 0 HA GLU A 20 2.465 22.309 12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.614 24.342 11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.757 24.796 13.309 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.668 25.502 14.379 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.637 24.187 13.743 1.00 0.00 H new ATOM 322 N LEU A 21 0.418 22.440 15.441 1.00 0.00 N ATOM 323 CA LEU A 21 0.287 22.292 16.881 1.00 0.00 C ATOM 324 C LEU A 21 0.980 21.001 17.321 1.00 0.00 C ATOM 325 O LEU A 21 1.872 21.029 18.168 1.00 0.00 O ATOM 326 CB LEU A 21 -1.184 22.372 17.295 1.00 0.00 C ATOM 327 CG LEU A 21 -1.770 23.780 17.419 1.00 0.00 C ATOM 328 CD1 LEU A 21 -3.269 23.725 17.719 1.00 0.00 C ATOM 329 CD2 LEU A 21 -1.007 24.601 18.460 1.00 0.00 C ATOM 0 H LEU A 21 -0.456 22.353 14.922 1.00 0.00 H new ATOM 0 HA LEU A 21 0.785 23.113 17.396 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.776 21.816 16.568 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.299 21.866 18.254 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.652 24.285 16.460 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.661 24.739 17.802 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.783 23.203 16.912 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.433 23.194 18.657 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.443 25.597 18.529 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.072 24.109 19.430 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.039 24.683 18.164 1.00 0.00 H new ATOM 341 N VAL A 22 0.544 19.900 16.727 1.00 0.00 N ATOM 342 CA VAL A 22 1.112 18.601 17.047 1.00 0.00 C ATOM 343 C VAL A 22 2.599 18.596 16.685 1.00 0.00 C ATOM 344 O VAL A 22 3.362 17.776 17.193 1.00 0.00 O ATOM 345 CB VAL A 22 0.322 17.497 16.343 1.00 0.00 C ATOM 346 CG1 VAL A 22 0.792 16.113 16.795 1.00 0.00 C ATOM 347 CG2 VAL A 22 -1.181 17.667 16.572 1.00 0.00 C ATOM 0 H VAL A 22 -0.196 19.880 16.026 1.00 0.00 H new ATOM 0 HA VAL A 22 1.037 18.404 18.117 1.00 0.00 H new ATOM 0 HB VAL A 22 0.510 17.582 15.273 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.214 15.346 16.279 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.849 15.992 16.557 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.648 16.013 17.871 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.719 16.869 16.061 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.394 17.622 17.640 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.502 18.631 16.179 1.00 0.00 H new ATOM 357 N LYS A 23 2.965 19.522 15.811 1.00 0.00 N ATOM 358 CA LYS A 23 4.347 19.634 15.376 1.00 0.00 C ATOM 359 C LYS A 23 5.169 20.314 16.473 1.00 0.00 C ATOM 360 O LYS A 23 6.342 19.996 16.661 1.00 0.00 O ATOM 361 CB LYS A 23 4.426 20.341 14.021 1.00 0.00 C ATOM 362 CG LYS A 23 4.252 19.345 12.872 1.00 0.00 C ATOM 363 CD LYS A 23 4.387 20.043 11.517 1.00 0.00 C ATOM 364 CE LYS A 23 5.858 20.234 11.143 1.00 0.00 C ATOM 365 NZ LYS A 23 6.044 21.503 10.404 1.00 0.00 N ATOM 0 H LYS A 23 2.329 20.201 15.393 1.00 0.00 H new ATOM 0 HA LYS A 23 4.779 18.645 15.220 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.654 21.109 13.962 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.387 20.847 13.926 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.999 18.555 12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.274 18.868 12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.886 19.454 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.888 21.012 11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.471 20.238 12.044 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.196 19.397 10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.048 21.617 10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.474 21.485 9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.741 22.300 11.000 1.00 0.00 H new ATOM 379 N LYS A 24 4.521 21.237 17.168 1.00 0.00 N ATOM 380 CA LYS A 24 5.177 21.965 18.241 1.00 0.00 C ATOM 381 C LYS A 24 5.007 21.194 19.551 1.00 0.00 C ATOM 382 O LYS A 24 5.822 21.327 20.464 1.00 0.00 O ATOM 383 CB LYS A 24 4.665 23.405 18.303 1.00 0.00 C ATOM 384 CG LYS A 24 5.686 24.321 18.982 1.00 0.00 C ATOM 385 CD LYS A 24 5.041 25.108 20.125 1.00 0.00 C ATOM 386 CE LYS A 24 4.146 26.225 19.584 1.00 0.00 C ATOM 387 NZ LYS A 24 4.959 27.403 19.207 1.00 0.00 N ATOM 0 H LYS A 24 3.548 21.498 17.009 1.00 0.00 H new ATOM 0 HA LYS A 24 6.248 22.041 18.052 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.461 23.766 17.295 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.723 23.437 18.850 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.514 23.726 19.367 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.103 25.012 18.250 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.452 24.435 20.748 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.817 25.534 20.761 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.591 25.867 18.717 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.412 26.509 20.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.337 28.152 18.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.470 27.754 20.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.643 27.132 18.472 1.00 0.00 H new ATOM 401 N TYR A 25 3.944 20.405 19.604 1.00 0.00 N ATOM 402 CA TYR A 25 3.657 19.613 20.787 1.00 0.00 C ATOM 403 C TYR A 25 4.358 18.255 20.722 1.00 0.00 C ATOM 404 O TYR A 25 5.073 17.876 21.648 1.00 0.00 O ATOM 405 CB TYR A 25 2.143 19.393 20.791 1.00 0.00 C ATOM 406 CG TYR A 25 1.341 20.593 21.299 1.00 0.00 C ATOM 407 CD1 TYR A 25 1.774 21.876 21.031 1.00 0.00 C ATOM 408 CD2 TYR A 25 0.185 20.392 22.025 1.00 0.00 C ATOM 409 CE1 TYR A 25 1.019 23.005 21.509 1.00 0.00 C ATOM 410 CE2 TYR A 25 -0.570 21.521 22.503 1.00 0.00 C ATOM 411 CZ TYR A 25 -0.116 22.772 22.221 1.00 0.00 C ATOM 412 OH TYR A 25 -0.829 23.838 22.673 1.00 0.00 O ATOM 0 H TYR A 25 3.270 20.297 18.846 1.00 0.00 H new ATOM 0 HA TYR A 25 4.007 20.123 21.684 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.818 19.154 19.778 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.914 18.527 21.412 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.679 22.033 20.463 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.153 19.388 22.235 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.347 24.014 21.307 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.476 21.378 23.073 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.534 24.649 22.209 1.00 0.00 H new ATOM 422 N GLY A 26 4.128 17.559 19.618 1.00 0.00 N ATOM 423 CA GLY A 26 4.728 16.251 19.419 1.00 0.00 C ATOM 424 C GLY A 26 3.771 15.315 18.678 1.00 0.00 C ATOM 425 O GLY A 26 3.640 15.395 17.458 1.00 0.00 O ATOM 0 H GLY A 26 3.534 17.877 18.852 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.653 16.354 18.852 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.992 15.818 20.384 1.00 0.00 H new ATOM 429 N THR A 27 3.126 14.450 19.447 1.00 0.00 N ATOM 430 CA THR A 27 2.185 13.500 18.879 1.00 0.00 C ATOM 431 C THR A 27 1.510 12.690 19.988 1.00 0.00 C ATOM 432 O THR A 27 1.312 11.484 19.848 1.00 0.00 O ATOM 433 CB THR A 27 2.939 12.635 17.868 1.00 0.00 C ATOM 434 OG1 THR A 27 4.310 12.815 18.210 1.00 0.00 O ATOM 435 CG2 THR A 27 2.837 13.178 16.441 1.00 0.00 C ATOM 0 H THR A 27 3.237 14.387 20.459 1.00 0.00 H new ATOM 0 HA THR A 27 1.377 14.009 18.354 1.00 0.00 H new ATOM 0 HB THR A 27 2.548 11.618 17.898 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.870 12.287 17.604 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.390 12.527 15.764 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.790 13.212 16.139 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.258 14.183 16.403 1.00 0.00 H new ATOM 443 N LYS A 28 1.175 13.386 21.065 1.00 0.00 N ATOM 444 CA LYS A 28 0.527 12.746 22.197 1.00 0.00 C ATOM 445 C LYS A 28 -0.359 13.767 22.915 1.00 0.00 C ATOM 446 O LYS A 28 -0.679 13.597 24.090 1.00 0.00 O ATOM 447 CB LYS A 28 1.564 12.085 23.105 1.00 0.00 C ATOM 448 CG LYS A 28 1.404 10.563 23.105 1.00 0.00 C ATOM 449 CD LYS A 28 2.408 9.906 22.155 1.00 0.00 C ATOM 450 CE LYS A 28 1.727 8.848 21.284 1.00 0.00 C ATOM 451 NZ LYS A 28 2.716 7.855 20.808 1.00 0.00 N ATOM 0 H LYS A 28 1.340 14.386 21.177 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.124 11.940 21.858 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.567 12.349 22.769 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.458 12.465 24.121 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.548 10.179 24.115 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.389 10.300 22.806 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.865 10.666 21.521 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.212 9.446 22.730 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.945 8.347 21.855 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.243 9.326 20.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.238 7.144 20.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.448 8.335 20.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.158 7.387 21.624 1.00 0.00 H new ATOM 465 N GLN A 29 -0.728 14.804 22.178 1.00 0.00 N ATOM 466 CA GLN A 29 -1.570 15.852 22.730 1.00 0.00 C ATOM 467 C GLN A 29 -2.821 16.037 21.869 1.00 0.00 C ATOM 468 O GLN A 29 -3.093 17.137 21.392 1.00 0.00 O ATOM 469 CB GLN A 29 -0.796 17.165 22.861 1.00 0.00 C ATOM 470 CG GLN A 29 0.197 17.103 24.024 1.00 0.00 C ATOM 471 CD GLN A 29 0.871 18.459 24.242 1.00 0.00 C ATOM 472 OE1 GLN A 29 0.257 19.426 24.664 1.00 0.00 O ATOM 473 NE2 GLN A 29 2.164 18.477 23.933 1.00 0.00 N ATOM 0 H GLN A 29 -0.460 14.941 21.204 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.882 15.551 23.730 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.262 17.371 21.933 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.493 17.988 23.017 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.321 16.800 24.934 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.954 16.345 23.821 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.617 17.632 23.585 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.703 19.336 24.044 1.00 0.00 H new ATOM 482 N TRP A 30 -3.549 14.943 21.698 1.00 0.00 N ATOM 483 CA TRP A 30 -4.765 14.970 20.903 1.00 0.00 C ATOM 484 C TRP A 30 -5.639 16.117 21.415 1.00 0.00 C ATOM 485 O TRP A 30 -6.499 16.617 20.692 1.00 0.00 O ATOM 486 CB TRP A 30 -5.474 13.615 20.939 1.00 0.00 C ATOM 487 CG TRP A 30 -5.059 12.665 19.814 1.00 0.00 C ATOM 488 CD1 TRP A 30 -4.095 11.734 19.834 1.00 0.00 C ATOM 489 CD2 TRP A 30 -5.639 12.590 18.494 1.00 0.00 C ATOM 490 NE1 TRP A 30 -4.011 11.068 18.628 1.00 0.00 N ATOM 491 CE2 TRP A 30 -4.980 11.604 17.788 1.00 0.00 C ATOM 492 CE3 TRP A 30 -6.685 13.330 17.917 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -5.293 11.269 16.466 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -6.987 12.983 16.595 1.00 0.00 C ATOM 495 CH2 TRP A 30 -6.333 11.993 15.870 1.00 0.00 C ATOM 0 H TRP A 30 -3.320 14.032 22.096 1.00 0.00 H new ATOM 0 HA TRP A 30 -4.536 15.150 19.853 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -5.273 13.137 21.897 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -6.550 13.778 20.884 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -3.464 11.531 20.686 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.358 10.320 18.396 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -7.214 14.105 18.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.761 10.494 15.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.784 13.522 16.104 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -6.626 11.783 14.852 1.00 0.00 H new ATOM 506 N THR A 31 -5.388 16.499 22.659 1.00 0.00 N ATOM 507 CA THR A 31 -6.142 17.577 23.276 1.00 0.00 C ATOM 508 C THR A 31 -5.912 18.888 22.522 1.00 0.00 C ATOM 509 O THR A 31 -6.853 19.644 22.283 1.00 0.00 O ATOM 510 CB THR A 31 -5.744 17.647 24.752 1.00 0.00 C ATOM 511 OG1 THR A 31 -6.986 17.596 25.449 1.00 0.00 O ATOM 512 CG2 THR A 31 -5.157 19.007 25.136 1.00 0.00 C ATOM 0 H THR A 31 -4.674 16.082 23.256 1.00 0.00 H new ATOM 0 HA THR A 31 -7.215 17.391 23.222 1.00 0.00 H new ATOM 0 HB THR A 31 -5.018 16.864 24.970 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.821 17.634 26.414 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.891 19.003 26.193 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.266 19.200 24.539 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.895 19.787 24.950 1.00 0.00 H new ATOM 520 N LEU A 32 -4.657 19.118 22.167 1.00 0.00 N ATOM 521 CA LEU A 32 -4.292 20.324 21.444 1.00 0.00 C ATOM 522 C LEU A 32 -5.192 20.470 20.216 1.00 0.00 C ATOM 523 O LEU A 32 -5.318 21.560 19.660 1.00 0.00 O ATOM 524 CB LEU A 32 -2.798 20.320 21.114 1.00 0.00 C ATOM 525 CG LEU A 32 -2.404 19.649 19.797 1.00 0.00 C ATOM 526 CD1 LEU A 32 -3.086 20.331 18.609 1.00 0.00 C ATOM 527 CD2 LEU A 32 -0.883 19.607 19.636 1.00 0.00 C ATOM 0 H LEU A 32 -3.879 18.489 22.367 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.455 21.204 22.066 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.448 21.352 21.092 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.268 19.821 21.926 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.754 18.617 19.822 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.789 19.835 17.685 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.168 20.266 18.724 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.787 21.379 18.570 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.630 19.125 18.692 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.488 20.623 19.642 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.445 19.043 20.460 1.00 0.00 H new ATOM 539 N ILE A 33 -5.795 19.356 19.828 1.00 0.00 N ATOM 540 CA ILE A 33 -6.680 19.346 18.676 1.00 0.00 C ATOM 541 C ILE A 33 -8.111 19.633 19.135 1.00 0.00 C ATOM 542 O ILE A 33 -8.784 20.499 18.578 1.00 0.00 O ATOM 543 CB ILE A 33 -6.534 18.036 17.899 1.00 0.00 C ATOM 544 CG1 ILE A 33 -5.143 17.922 17.273 1.00 0.00 C ATOM 545 CG2 ILE A 33 -7.646 17.889 16.858 1.00 0.00 C ATOM 546 CD1 ILE A 33 -4.128 17.388 18.285 1.00 0.00 C ATOM 0 H ILE A 33 -5.688 18.454 20.291 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.405 20.136 17.977 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.639 17.209 18.601 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.183 17.259 16.408 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.822 18.899 16.912 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.519 16.950 16.320 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.615 17.893 17.357 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.598 18.720 16.154 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.148 17.317 17.814 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.073 18.065 19.137 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.439 16.401 18.626 1.00 0.00 H new ATOM 558 N ALA A 34 -8.534 18.888 20.146 1.00 0.00 N ATOM 559 CA ALA A 34 -9.873 19.052 20.687 1.00 0.00 C ATOM 560 C ALA A 34 -9.850 20.120 21.782 1.00 0.00 C ATOM 561 O ALA A 34 -10.783 20.219 22.577 1.00 0.00 O ATOM 562 CB ALA A 34 -10.385 17.703 21.198 1.00 0.00 C ATOM 0 H ALA A 34 -7.974 18.170 20.605 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.561 19.390 19.912 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.389 17.825 21.604 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -10.411 16.988 20.375 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.720 17.334 21.979 1.00 0.00 H new ATOM 568 N LYS A 35 -8.773 20.892 21.788 1.00 0.00 N ATOM 569 CA LYS A 35 -8.616 21.949 22.772 1.00 0.00 C ATOM 570 C LYS A 35 -8.572 23.302 22.059 1.00 0.00 C ATOM 571 O LYS A 35 -9.120 24.286 22.553 1.00 0.00 O ATOM 572 CB LYS A 35 -7.397 21.680 23.657 1.00 0.00 C ATOM 573 CG LYS A 35 -7.304 22.706 24.788 1.00 0.00 C ATOM 574 CD LYS A 35 -6.014 23.523 24.683 1.00 0.00 C ATOM 575 CE LYS A 35 -5.086 23.237 25.865 1.00 0.00 C ATOM 576 NZ LYS A 35 -3.803 23.956 25.702 1.00 0.00 N ATOM 0 H LYS A 35 -8.001 20.806 21.127 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.472 21.972 23.446 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.462 20.676 24.076 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.490 21.715 23.054 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.165 23.373 24.750 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.338 22.196 25.751 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.504 23.285 23.750 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.254 24.586 24.653 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.566 23.544 26.794 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.902 22.165 25.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.185 23.751 26.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.339 23.644 24.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.982 24.979 25.653 1.00 0.00 H new ATOM 590 N HIS A 36 -7.915 23.307 20.908 1.00 0.00 N ATOM 591 CA HIS A 36 -7.792 24.523 20.122 1.00 0.00 C ATOM 592 C HIS A 36 -9.034 24.694 19.244 1.00 0.00 C ATOM 593 O HIS A 36 -9.558 25.799 19.112 1.00 0.00 O ATOM 594 CB HIS A 36 -6.492 24.519 19.316 1.00 0.00 C ATOM 595 CG HIS A 36 -5.251 24.322 20.153 1.00 0.00 C ATOM 596 ND1 HIS A 36 -5.000 23.469 21.187 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -4.092 25.054 19.960 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -3.755 23.668 21.603 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -3.191 24.651 20.844 1.00 0.00 N flip ATOM 0 H HIS A 36 -7.462 22.488 20.501 1.00 0.00 H new ATOM 0 HA HIS A 36 -7.737 25.386 20.786 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.543 23.728 18.568 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.408 25.462 18.777 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.947 25.823 19.216 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.269 23.139 22.409 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.242 25.012 20.940 1.00 0.00 H new ATOM 607 N LEU A 37 -9.469 23.583 18.667 1.00 0.00 N ATOM 608 CA LEU A 37 -10.639 23.596 17.806 1.00 0.00 C ATOM 609 C LEU A 37 -11.885 23.295 18.641 1.00 0.00 C ATOM 610 O LEU A 37 -12.536 22.271 18.444 1.00 0.00 O ATOM 611 CB LEU A 37 -10.445 22.643 16.625 1.00 0.00 C ATOM 612 CG LEU A 37 -9.007 22.466 16.134 1.00 0.00 C ATOM 613 CD1 LEU A 37 -8.977 21.879 14.722 1.00 0.00 C ATOM 614 CD2 LEU A 37 -8.231 23.782 16.224 1.00 0.00 C ATOM 0 H LEU A 37 -9.032 22.668 18.779 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.779 24.585 17.369 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.835 21.665 16.906 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.051 23.000 15.792 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.508 21.752 16.790 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.943 21.764 14.398 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.468 20.906 14.722 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.499 22.549 14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.212 23.628 15.869 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.720 24.536 15.607 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.207 24.120 17.260 1.00 0.00 H new ATOM 626 N LYS A 38 -12.179 24.207 19.556 1.00 0.00 N ATOM 627 CA LYS A 38 -13.335 24.052 20.422 1.00 0.00 C ATOM 628 C LYS A 38 -14.612 24.165 19.586 1.00 0.00 C ATOM 629 O LYS A 38 -15.152 25.256 19.415 1.00 0.00 O ATOM 630 CB LYS A 38 -13.272 25.046 21.584 1.00 0.00 C ATOM 631 CG LYS A 38 -13.436 24.331 22.927 1.00 0.00 C ATOM 632 CD LYS A 38 -12.213 23.466 23.240 1.00 0.00 C ATOM 633 CE LYS A 38 -11.716 23.715 24.665 1.00 0.00 C ATOM 634 NZ LYS A 38 -11.310 22.443 25.303 1.00 0.00 N ATOM 0 H LYS A 38 -11.637 25.056 19.716 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.338 23.062 20.879 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.319 25.575 21.564 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.055 25.795 21.469 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.579 25.066 23.719 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.330 23.708 22.905 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.467 22.413 23.118 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.416 23.686 22.529 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.872 24.405 24.647 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.502 24.189 25.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.999 22.188 26.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.276 21.690 24.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.370 22.555 25.733 1.00 0.00 H new ATOM 648 N GLY A 39 -15.057 23.021 19.087 1.00 0.00 N ATOM 649 CA GLY A 39 -16.260 22.977 18.273 1.00 0.00 C ATOM 650 C GLY A 39 -16.294 21.711 17.414 1.00 0.00 C ATOM 651 O GLY A 39 -16.647 21.765 16.237 1.00 0.00 O ATOM 0 H GLY A 39 -14.606 22.117 19.231 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.140 23.009 18.916 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.302 23.857 17.632 1.00 0.00 H new ATOM 655 N ARG A 40 -15.924 20.602 18.036 1.00 0.00 N ATOM 656 CA ARG A 40 -15.908 19.325 17.343 1.00 0.00 C ATOM 657 C ARG A 40 -15.305 18.241 18.240 1.00 0.00 C ATOM 658 O ARG A 40 -15.043 18.481 19.418 1.00 0.00 O ATOM 659 CB ARG A 40 -15.100 19.411 16.047 1.00 0.00 C ATOM 660 CG ARG A 40 -16.023 19.543 14.834 1.00 0.00 C ATOM 661 CD ARG A 40 -15.884 18.334 13.906 1.00 0.00 C ATOM 662 NE ARG A 40 -15.284 18.750 12.618 1.00 0.00 N ATOM 663 CZ ARG A 40 -15.396 18.056 11.478 1.00 0.00 C ATOM 664 NH1 ARG A 40 -16.086 16.907 11.458 1.00 0.00 N ATOM 665 NH2 ARG A 40 -14.819 18.510 10.357 1.00 0.00 N ATOM 0 H ARG A 40 -15.633 20.561 19.013 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.939 19.068 17.099 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -14.426 20.266 16.090 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.479 18.521 15.941 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.057 19.633 15.167 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.783 20.455 14.287 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -15.262 17.573 14.377 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -16.862 17.884 13.733 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.752 19.620 12.598 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.526 16.561 12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.171 16.378 10.590 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.294 19.384 10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.905 17.981 9.489 1.00 0.00 H new ATOM 679 N LEU A 41 -15.103 17.073 17.648 1.00 0.00 N ATOM 680 CA LEU A 41 -14.536 15.952 18.379 1.00 0.00 C ATOM 681 C LEU A 41 -13.018 16.120 18.463 1.00 0.00 C ATOM 682 O LEU A 41 -12.332 15.301 19.074 1.00 0.00 O ATOM 683 CB LEU A 41 -14.975 14.627 17.753 1.00 0.00 C ATOM 684 CG LEU A 41 -16.220 13.978 18.361 1.00 0.00 C ATOM 685 CD1 LEU A 41 -15.906 13.361 19.725 1.00 0.00 C ATOM 686 CD2 LEU A 41 -17.377 14.976 18.436 1.00 0.00 C ATOM 0 H LEU A 41 -15.322 16.878 16.671 1.00 0.00 H new ATOM 0 HA LEU A 41 -14.912 15.934 19.402 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.158 14.792 16.691 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.148 13.921 17.828 1.00 0.00 H new ATOM 0 HG LEU A 41 -16.537 13.166 17.706 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.808 12.907 20.135 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.135 12.599 19.611 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -15.551 14.137 20.402 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.250 14.489 18.872 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.087 15.824 19.056 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -17.620 15.327 17.433 1.00 0.00 H new ATOM 698 N GLY A 42 -12.536 17.185 17.840 1.00 0.00 N ATOM 699 CA GLY A 42 -11.112 17.471 17.836 1.00 0.00 C ATOM 700 C GLY A 42 -10.302 16.213 17.516 1.00 0.00 C ATOM 701 O GLY A 42 -9.145 16.096 17.917 1.00 0.00 O ATOM 0 H GLY A 42 -13.108 17.861 17.334 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.895 18.245 17.100 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.813 17.863 18.808 1.00 0.00 H new ATOM 705 N LYS A 43 -10.942 15.303 16.796 1.00 0.00 N ATOM 706 CA LYS A 43 -10.295 14.058 16.418 1.00 0.00 C ATOM 707 C LYS A 43 -9.780 14.172 14.981 1.00 0.00 C ATOM 708 O LYS A 43 -9.281 15.222 14.579 1.00 0.00 O ATOM 709 CB LYS A 43 -11.239 12.875 16.640 1.00 0.00 C ATOM 710 CG LYS A 43 -10.460 11.618 17.034 1.00 0.00 C ATOM 711 CD LYS A 43 -10.863 10.427 16.164 1.00 0.00 C ATOM 712 CE LYS A 43 -10.668 9.108 16.915 1.00 0.00 C ATOM 713 NZ LYS A 43 -10.365 8.012 15.967 1.00 0.00 N ATOM 0 H LYS A 43 -11.901 15.403 16.465 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.430 13.870 17.054 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.959 13.121 17.421 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.809 12.684 15.730 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.391 11.802 16.932 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.645 11.386 18.083 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.906 10.528 15.864 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.268 10.421 15.251 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.856 9.209 17.635 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.568 8.869 17.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.236 7.124 16.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.153 7.906 15.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.494 8.235 15.445 1.00 0.00 H new ATOM 727 N GLN A 44 -9.919 13.078 14.248 1.00 0.00 N ATOM 728 CA GLN A 44 -9.474 13.042 12.865 1.00 0.00 C ATOM 729 C GLN A 44 -8.234 13.921 12.684 1.00 0.00 C ATOM 730 O GLN A 44 -8.350 15.114 12.409 1.00 0.00 O ATOM 731 CB GLN A 44 -10.595 13.472 11.917 1.00 0.00 C ATOM 732 CG GLN A 44 -10.197 13.242 10.458 1.00 0.00 C ATOM 733 CD GLN A 44 -11.250 13.813 9.506 1.00 0.00 C ATOM 734 OE1 GLN A 44 -11.671 14.952 9.615 1.00 0.00 O ATOM 735 NE2 GLN A 44 -11.651 12.958 8.568 1.00 0.00 N ATOM 0 H GLN A 44 -10.334 12.209 14.585 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.207 12.015 12.616 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.502 12.912 12.143 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.824 14.526 12.073 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.232 13.710 10.262 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.076 12.174 10.274 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.257 12.018 8.533 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.352 13.243 7.884 1.00 0.00 H new ATOM 744 N CYS A 45 -7.077 13.296 12.845 1.00 0.00 N ATOM 745 CA CYS A 45 -5.817 14.007 12.702 1.00 0.00 C ATOM 746 C CYS A 45 -4.760 13.016 12.212 1.00 0.00 C ATOM 747 O CYS A 45 -4.329 13.080 11.062 1.00 0.00 O ATOM 748 CB CYS A 45 -5.401 14.687 14.008 1.00 0.00 C ATOM 749 SG CYS A 45 -6.510 16.099 14.359 1.00 0.00 S ATOM 0 H CYS A 45 -6.985 12.306 13.073 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.928 14.808 11.971 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.440 13.971 14.829 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.370 15.033 13.935 1.00 0.00 H new ATOM 0 HG CYS A 45 -7.712 15.818 13.952 1.00 0.00 H new ATOM 755 N ARG A 46 -4.371 12.122 13.110 1.00 0.00 N ATOM 756 CA ARG A 46 -3.372 11.119 12.784 1.00 0.00 C ATOM 757 C ARG A 46 -3.823 10.294 11.576 1.00 0.00 C ATOM 758 O ARG A 46 -4.336 9.187 11.733 1.00 0.00 O ATOM 759 CB ARG A 46 -3.124 10.182 13.968 1.00 0.00 C ATOM 760 CG ARG A 46 -2.542 10.947 15.159 1.00 0.00 C ATOM 761 CD ARG A 46 -2.208 9.996 16.310 1.00 0.00 C ATOM 762 NE ARG A 46 -1.196 9.009 15.875 1.00 0.00 N ATOM 763 CZ ARG A 46 0.101 9.292 15.695 1.00 0.00 C ATOM 764 NH1 ARG A 46 0.552 10.536 15.911 1.00 0.00 N ATOM 765 NH2 ARG A 46 0.948 8.333 15.298 1.00 0.00 N ATOM 0 H ARG A 46 -4.730 12.072 14.063 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.444 11.640 12.548 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.059 9.704 14.260 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.439 9.388 13.671 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.643 11.479 14.850 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.256 11.698 15.498 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.833 10.562 17.163 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.110 9.482 16.641 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.505 8.053 15.701 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.092 11.267 16.212 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.540 10.751 15.774 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.606 7.387 15.133 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.935 8.549 15.161 1.00 0.00 H new ATOM 779 N GLU A 47 -3.615 10.865 10.399 1.00 0.00 N ATOM 780 CA GLU A 47 -3.993 10.197 9.165 1.00 0.00 C ATOM 781 C GLU A 47 -3.157 10.725 7.998 1.00 0.00 C ATOM 782 O GLU A 47 -2.680 9.950 7.170 1.00 0.00 O ATOM 783 CB GLU A 47 -5.488 10.363 8.889 1.00 0.00 C ATOM 784 CG GLU A 47 -5.855 9.812 7.509 1.00 0.00 C ATOM 785 CD GLU A 47 -7.270 10.234 7.108 1.00 0.00 C ATOM 786 OE1 GLU A 47 -8.216 9.562 7.575 1.00 0.00 O ATOM 787 OE2 GLU A 47 -7.374 11.218 6.345 1.00 0.00 O ATOM 0 H GLU A 47 -3.189 11.783 10.273 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.794 9.131 9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.063 9.845 9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.757 11.418 8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.141 10.172 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.785 8.724 7.517 1.00 0.00 H new ATOM 794 N ARG A 48 -3.005 12.041 7.968 1.00 0.00 N ATOM 795 CA ARG A 48 -2.235 12.681 6.915 1.00 0.00 C ATOM 796 C ARG A 48 -0.739 12.454 7.139 1.00 0.00 C ATOM 797 O ARG A 48 0.021 12.314 6.182 1.00 0.00 O ATOM 798 CB ARG A 48 -2.514 14.185 6.866 1.00 0.00 C ATOM 799 CG ARG A 48 -3.102 14.590 5.513 1.00 0.00 C ATOM 800 CD ARG A 48 -2.016 15.141 4.586 1.00 0.00 C ATOM 801 NE ARG A 48 -1.966 14.347 3.338 1.00 0.00 N ATOM 802 CZ ARG A 48 -1.223 14.671 2.271 1.00 0.00 C ATOM 803 NH1 ARG A 48 -0.463 15.774 2.294 1.00 0.00 N ATOM 804 NH2 ARG A 48 -1.239 13.892 1.181 1.00 0.00 N ATOM 0 H ARG A 48 -3.402 12.681 8.656 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.535 12.236 5.967 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.206 14.456 7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.591 14.736 7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.580 13.728 5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.876 15.343 5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.220 16.186 4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.048 15.109 5.086 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.532 13.500 3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.450 16.367 3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.103 16.021 1.482 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.817 13.052 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.673 14.139 0.369 1.00 0.00 H new ATOM 818 N TRP A 49 -0.360 12.425 8.408 1.00 0.00 N ATOM 819 CA TRP A 49 1.032 12.217 8.769 1.00 0.00 C ATOM 820 C TRP A 49 1.142 10.859 9.466 1.00 0.00 C ATOM 821 O TRP A 49 2.243 10.358 9.686 1.00 0.00 O ATOM 822 CB TRP A 49 1.554 13.372 9.625 1.00 0.00 C ATOM 823 CG TRP A 49 0.598 13.804 10.739 1.00 0.00 C ATOM 824 CD1 TRP A 49 -0.383 13.089 11.307 1.00 0.00 C ATOM 825 CD2 TRP A 49 0.572 15.086 11.400 1.00 0.00 C ATOM 826 NE1 TRP A 49 -1.037 13.814 12.282 1.00 0.00 N ATOM 827 CE2 TRP A 49 -0.438 15.067 12.341 1.00 0.00 C ATOM 828 CE3 TRP A 49 1.375 16.225 11.210 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -0.738 16.158 13.165 1.00 0.00 C ATOM 830 CZ3 TRP A 49 1.062 17.307 12.042 1.00 0.00 C ATOM 831 CH2 TRP A 49 0.049 17.303 12.993 1.00 0.00 C ATOM 0 H TRP A 49 -0.993 12.542 9.199 1.00 0.00 H new ATOM 0 HA TRP A 49 1.663 12.204 7.881 1.00 0.00 H new ATOM 0 HB2 TRP A 49 2.505 13.080 10.070 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.753 14.227 8.980 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.630 12.073 11.036 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -1.817 13.490 12.854 1.00 0.00 H new ATOM 0 HE3 TRP A 49 2.170 16.262 10.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.534 16.119 13.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.649 18.207 11.937 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -0.131 18.180 13.597 1.00 0.00 H new ATOM 842 N HIS A 50 -0.015 10.303 9.794 1.00 0.00 N ATOM 843 CA HIS A 50 -0.063 9.013 10.461 1.00 0.00 C ATOM 844 C HIS A 50 0.202 7.900 9.446 1.00 0.00 C ATOM 845 O HIS A 50 1.302 7.795 8.907 1.00 0.00 O ATOM 846 CB HIS A 50 -1.388 8.835 11.205 1.00 0.00 C ATOM 847 CG HIS A 50 -1.474 7.559 12.008 1.00 0.00 C ATOM 848 ND1 HIS A 50 -2.409 7.132 12.906 1.00 0.00 N flip ATOM 849 CD2 HIS A 50 -0.522 6.558 11.930 1.00 0.00 C flip ATOM 850 CE1 HIS A 50 -2.047 5.935 13.351 1.00 0.00 C flip ATOM 851 NE2 HIS A 50 -0.877 5.578 12.748 1.00 0.00 N flip ATOM 0 H HIS A 50 -0.926 10.722 9.610 1.00 0.00 H new ATOM 0 HA HIS A 50 0.721 8.961 11.217 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.535 9.684 11.873 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.204 8.853 10.483 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.361 6.573 11.308 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.590 5.341 14.072 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.365 4.709 12.900 1.00 0.00 H new ATOM 859 N ASN A 51 -0.826 7.096 9.215 1.00 0.00 N ATOM 860 CA ASN A 51 -0.719 5.995 8.274 1.00 0.00 C ATOM 861 C ASN A 51 -0.726 6.547 6.847 1.00 0.00 C ATOM 862 O ASN A 51 -1.581 6.182 6.041 1.00 0.00 O ATOM 863 CB ASN A 51 -1.900 5.033 8.415 1.00 0.00 C ATOM 864 CG ASN A 51 -2.524 5.130 9.809 1.00 0.00 C ATOM 865 OD1 ASN A 51 -3.291 6.202 9.984 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -2.321 4.288 10.668 1.00 0.00 N flip ATOM 0 H ASN A 51 -1.737 7.186 9.664 1.00 0.00 H new ATOM 0 HA ASN A 51 0.208 5.461 8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.652 5.262 7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.565 4.012 8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.721 3.488 10.467 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.752 4.383 11.588 1.00 0.00 H new ATOM 873 N HIS A 52 0.236 7.417 6.578 1.00 0.00 N ATOM 874 CA HIS A 52 0.351 8.023 5.262 1.00 0.00 C ATOM 875 C HIS A 52 1.684 7.621 4.627 1.00 0.00 C ATOM 876 O HIS A 52 1.760 7.406 3.419 1.00 0.00 O ATOM 877 CB HIS A 52 0.166 9.539 5.344 1.00 0.00 C ATOM 878 CG HIS A 52 -1.066 10.047 4.633 1.00 0.00 C ATOM 879 ND1 HIS A 52 -2.302 9.435 4.745 1.00 0.00 N ATOM 880 CD2 HIS A 52 -1.238 11.115 3.802 1.00 0.00 C ATOM 881 CE1 HIS A 52 -3.171 10.111 4.009 1.00 0.00 C ATOM 882 NE2 HIS A 52 -2.510 11.152 3.425 1.00 0.00 N ATOM 0 H HIS A 52 0.943 7.717 7.249 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.445 7.653 4.616 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.115 9.832 6.393 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.044 10.025 4.920 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.509 8.605 5.300 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.470 11.812 3.502 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.219 9.879 3.892 1.00 0.00 H new ATOM 890 N LEU A 53 2.701 7.533 5.471 1.00 0.00 N ATOM 891 CA LEU A 53 4.027 7.161 5.007 1.00 0.00 C ATOM 892 C LEU A 53 3.903 6.068 3.944 1.00 0.00 C ATOM 893 O LEU A 53 3.233 5.060 4.161 1.00 0.00 O ATOM 894 CB LEU A 53 4.918 6.772 6.189 1.00 0.00 C ATOM 895 CG LEU A 53 6.402 6.574 5.873 1.00 0.00 C ATOM 896 CD1 LEU A 53 7.278 7.396 6.821 1.00 0.00 C ATOM 897 CD2 LEU A 53 6.774 5.090 5.891 1.00 0.00 C ATOM 0 H LEU A 53 2.634 7.713 6.473 1.00 0.00 H new ATOM 0 HA LEU A 53 4.518 8.011 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.830 7.543 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.532 5.848 6.621 1.00 0.00 H new ATOM 0 HG LEU A 53 6.588 6.940 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.328 7.238 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.036 8.454 6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.095 7.083 7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.834 4.978 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.569 4.675 6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.184 4.558 5.144 1.00 0.00 H new ATOM 909 N ASN A 54 4.561 6.304 2.818 1.00 0.00 N ATOM 910 CA ASN A 54 4.532 5.352 1.721 1.00 0.00 C ATOM 911 C ASN A 54 5.959 4.889 1.417 1.00 0.00 C ATOM 912 O ASN A 54 6.793 5.682 0.984 1.00 0.00 O ATOM 913 CB ASN A 54 3.962 5.990 0.453 1.00 0.00 C ATOM 914 CG ASN A 54 4.122 5.058 -0.750 1.00 0.00 C ATOM 915 OD1 ASN A 54 3.485 4.022 -0.854 1.00 0.00 O ATOM 916 ND2 ASN A 54 5.005 5.482 -1.649 1.00 0.00 N ATOM 0 H ASN A 54 5.117 7.141 2.642 1.00 0.00 H new ATOM 0 HA ASN A 54 3.901 4.514 2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.907 6.221 0.601 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.471 6.934 0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.184 4.930 -2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.504 6.359 -1.500 1.00 0.00 H new ATOM 923 N PRO A 55 6.200 3.573 1.661 1.00 0.00 N ATOM 924 CA PRO A 55 7.511 2.995 1.418 1.00 0.00 C ATOM 925 C PRO A 55 7.753 2.797 -0.079 1.00 0.00 C ATOM 926 O PRO A 55 8.340 3.656 -0.736 1.00 0.00 O ATOM 927 CB PRO A 55 7.516 1.691 2.199 1.00 0.00 C ATOM 928 CG PRO A 55 6.057 1.361 2.469 1.00 0.00 C ATOM 929 CD PRO A 55 5.235 2.605 2.174 1.00 0.00 C ATOM 0 HA PRO A 55 8.324 3.643 1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.997 0.896 1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.072 1.796 3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.731 0.531 1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.921 1.051 3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.453 2.399 1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.741 2.976 3.072 1.00 0.00 H new ATOM 937 N GLU A 56 7.289 1.659 -0.576 1.00 0.00 N ATOM 938 CA GLU A 56 7.448 1.337 -1.984 1.00 0.00 C ATOM 939 C GLU A 56 8.923 1.416 -2.383 1.00 0.00 C ATOM 940 O GLU A 56 9.731 2.014 -1.674 1.00 0.00 O ATOM 941 CB GLU A 56 6.594 2.259 -2.857 1.00 0.00 C ATOM 942 CG GLU A 56 6.748 1.909 -4.338 1.00 0.00 C ATOM 943 CD GLU A 56 5.787 2.731 -5.199 1.00 0.00 C ATOM 944 OE1 GLU A 56 5.748 3.963 -4.988 1.00 0.00 O ATOM 945 OE2 GLU A 56 5.113 2.110 -6.049 1.00 0.00 O ATOM 0 H GLU A 56 6.803 0.949 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 56 7.102 0.316 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.547 2.174 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.887 3.296 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.774 2.095 -4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.556 0.846 -4.486 1.00 0.00 H new ATOM 952 N VAL A 57 9.229 0.803 -3.517 1.00 0.00 N ATOM 953 CA VAL A 57 10.593 0.795 -4.019 1.00 0.00 C ATOM 954 C VAL A 57 10.804 2.008 -4.928 1.00 0.00 C ATOM 955 O VAL A 57 11.664 1.987 -5.807 1.00 0.00 O ATOM 956 CB VAL A 57 10.886 -0.534 -4.718 1.00 0.00 C ATOM 957 CG1 VAL A 57 12.381 -0.858 -4.674 1.00 0.00 C ATOM 958 CG2 VAL A 57 10.061 -1.668 -4.107 1.00 0.00 C ATOM 0 H VAL A 57 8.556 0.308 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 57 11.303 0.877 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 57 10.595 -0.434 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.562 -1.808 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.939 -0.068 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.707 -0.929 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.288 -2.601 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.307 -1.768 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.000 -1.444 -4.213 1.00 0.00 H new ATOM 968 N LYS A 58 10.004 3.036 -4.684 1.00 0.00 N ATOM 969 CA LYS A 58 10.093 4.255 -5.469 1.00 0.00 C ATOM 970 C LYS A 58 9.467 4.017 -6.845 1.00 0.00 C ATOM 971 O LYS A 58 9.702 2.982 -7.467 1.00 0.00 O ATOM 972 CB LYS A 58 11.539 4.751 -5.529 1.00 0.00 C ATOM 973 CG LYS A 58 12.162 4.794 -4.132 1.00 0.00 C ATOM 974 CD LYS A 58 13.552 4.154 -4.132 1.00 0.00 C ATOM 975 CE LYS A 58 14.645 5.220 -4.028 1.00 0.00 C ATOM 976 NZ LYS A 58 15.871 4.647 -3.428 1.00 0.00 N ATOM 0 H LYS A 58 9.292 3.049 -3.954 1.00 0.00 H new ATOM 0 HA LYS A 58 9.526 5.056 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.126 4.096 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.568 5.745 -5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.234 5.828 -3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.517 4.271 -3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.636 3.459 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.690 3.574 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.869 5.618 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.292 6.054 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.603 5.383 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.657 4.289 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.216 3.866 -4.022 1.00 0.00 H new ATOM 990 N LYS A 59 8.682 4.992 -7.280 1.00 0.00 N ATOM 991 CA LYS A 59 8.021 4.901 -8.571 1.00 0.00 C ATOM 992 C LYS A 59 9.071 4.964 -9.682 1.00 0.00 C ATOM 993 O LYS A 59 10.129 5.567 -9.508 1.00 0.00 O ATOM 994 CB LYS A 59 6.933 5.970 -8.692 1.00 0.00 C ATOM 995 CG LYS A 59 5.544 5.332 -8.768 1.00 0.00 C ATOM 996 CD LYS A 59 4.516 6.163 -7.998 1.00 0.00 C ATOM 997 CE LYS A 59 3.372 5.284 -7.488 1.00 0.00 C ATOM 998 NZ LYS A 59 2.161 6.099 -7.246 1.00 0.00 N ATOM 0 H LYS A 59 8.489 5.849 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 59 7.508 3.944 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.982 6.642 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.109 6.574 -9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.238 5.243 -9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.581 4.322 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.001 6.660 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.118 6.946 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.153 4.503 -8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.672 4.785 -6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.394 5.487 -6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.370 6.828 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.867 6.555 -8.133 1.00 0.00 H new ATOM 1012 N SER A 60 8.742 4.333 -10.800 1.00 0.00 N ATOM 1013 CA SER A 60 9.643 4.309 -11.939 1.00 0.00 C ATOM 1014 C SER A 60 10.660 3.177 -11.779 1.00 0.00 C ATOM 1015 O SER A 60 10.773 2.312 -12.646 1.00 0.00 O ATOM 1016 CB SER A 60 10.362 5.650 -12.100 1.00 0.00 C ATOM 1017 OG SER A 60 11.652 5.640 -11.494 1.00 0.00 O ATOM 0 H SER A 60 7.863 3.834 -10.941 1.00 0.00 H new ATOM 0 HA SER A 60 9.053 4.133 -12.838 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.461 5.883 -13.160 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.758 6.441 -11.655 1.00 0.00 H new ATOM 0 HG SER A 60 11.561 5.787 -10.529 1.00 0.00 H new ATOM 1023 N SER A 61 11.375 3.220 -10.664 1.00 0.00 N ATOM 1024 CA SER A 61 12.378 2.209 -10.379 1.00 0.00 C ATOM 1025 C SER A 61 11.706 0.853 -10.157 1.00 0.00 C ATOM 1026 O SER A 61 10.579 0.635 -10.598 1.00 0.00 O ATOM 1027 CB SER A 61 13.216 2.593 -9.157 1.00 0.00 C ATOM 1028 OG SER A 61 13.446 3.997 -9.088 1.00 0.00 O ATOM 0 H SER A 61 11.279 3.940 -9.947 1.00 0.00 H new ATOM 0 HA SER A 61 13.047 2.140 -11.237 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.708 2.264 -8.251 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.172 2.070 -9.194 1.00 0.00 H new ATOM 0 HG SER A 61 13.983 4.202 -8.294 1.00 0.00 H new ATOM 1034 N TRP A 62 12.427 -0.024 -9.473 1.00 0.00 N ATOM 1035 CA TRP A 62 11.915 -1.353 -9.187 1.00 0.00 C ATOM 1036 C TRP A 62 10.673 -1.202 -8.306 1.00 0.00 C ATOM 1037 O TRP A 62 10.326 -0.093 -7.902 1.00 0.00 O ATOM 1038 CB TRP A 62 12.994 -2.233 -8.554 1.00 0.00 C ATOM 1039 CG TRP A 62 14.305 -2.274 -9.342 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.390 -1.504 -9.178 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.627 -3.165 -10.430 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.384 -1.833 -10.078 1.00 0.00 N ATOM 1043 CE2 TRP A 62 15.904 -2.875 -10.864 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.863 -4.183 -11.029 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.531 -3.558 -11.913 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.504 -4.855 -12.077 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.789 -4.575 -12.525 1.00 0.00 C ATOM 0 H TRP A 62 13.362 0.160 -9.109 1.00 0.00 H new ATOM 0 HA TRP A 62 11.629 -1.862 -10.108 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.199 -1.871 -7.547 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.609 -3.248 -8.456 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.476 -0.725 -8.435 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.301 -1.393 -10.153 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.862 -4.427 -10.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.533 -3.313 -12.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.961 -5.647 -12.572 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.214 -5.140 -13.342 1.00 0.00 H new ATOM 1058 N THR A 63 10.039 -2.333 -8.033 1.00 0.00 N ATOM 1059 CA THR A 63 8.844 -2.340 -7.206 1.00 0.00 C ATOM 1060 C THR A 63 8.875 -3.522 -6.235 1.00 0.00 C ATOM 1061 O THR A 63 9.943 -4.043 -5.919 1.00 0.00 O ATOM 1062 CB THR A 63 7.628 -2.347 -8.134 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.537 -3.699 -8.577 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.865 -1.549 -9.417 1.00 0.00 C ATOM 0 H THR A 63 10.330 -3.251 -8.370 1.00 0.00 H new ATOM 0 HA THR A 63 8.789 -1.448 -6.581 1.00 0.00 H new ATOM 0 HB THR A 63 6.767 -1.937 -7.606 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.596 -3.972 -8.603 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.971 -1.587 -10.039 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.088 -0.512 -9.165 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.705 -1.978 -9.963 1.00 0.00 H new ATOM 1072 N GLU A 64 7.689 -3.909 -5.787 1.00 0.00 N ATOM 1073 CA GLU A 64 7.567 -5.020 -4.858 1.00 0.00 C ATOM 1074 C GLU A 64 7.626 -6.351 -5.611 1.00 0.00 C ATOM 1075 O GLU A 64 8.669 -7.003 -5.644 1.00 0.00 O ATOM 1076 CB GLU A 64 6.279 -4.910 -4.039 1.00 0.00 C ATOM 1077 CG GLU A 64 6.480 -4.008 -2.820 1.00 0.00 C ATOM 1078 CD GLU A 64 7.151 -4.772 -1.677 1.00 0.00 C ATOM 1079 OE1 GLU A 64 8.401 -4.797 -1.668 1.00 0.00 O ATOM 1080 OE2 GLU A 64 6.400 -5.314 -0.839 1.00 0.00 O ATOM 0 H GLU A 64 6.805 -3.473 -6.050 1.00 0.00 H new ATOM 0 HA GLU A 64 8.406 -4.981 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.480 -4.511 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.965 -5.902 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.091 -3.149 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.517 -3.621 -2.487 1.00 0.00 H new ATOM 1087 N GLU A 65 6.495 -6.714 -6.197 1.00 0.00 N ATOM 1088 CA GLU A 65 6.405 -7.955 -6.947 1.00 0.00 C ATOM 1089 C GLU A 65 7.606 -8.097 -7.884 1.00 0.00 C ATOM 1090 O GLU A 65 8.051 -9.209 -8.164 1.00 0.00 O ATOM 1091 CB GLU A 65 5.090 -8.031 -7.725 1.00 0.00 C ATOM 1092 CG GLU A 65 3.891 -8.063 -6.775 1.00 0.00 C ATOM 1093 CD GLU A 65 2.819 -9.033 -7.277 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.976 -10.243 -7.006 1.00 0.00 O ATOM 1095 OE2 GLU A 65 1.867 -8.541 -7.921 1.00 0.00 O ATOM 0 H GLU A 65 5.633 -6.170 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 65 6.420 -8.786 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.008 -7.172 -8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.085 -8.923 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.219 -8.362 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.468 -7.063 -6.684 1.00 0.00 H new ATOM 1102 N GLU A 66 8.097 -6.955 -8.342 1.00 0.00 N ATOM 1103 CA GLU A 66 9.238 -6.938 -9.242 1.00 0.00 C ATOM 1104 C GLU A 66 10.497 -7.410 -8.511 1.00 0.00 C ATOM 1105 O GLU A 66 11.325 -8.113 -9.087 1.00 0.00 O ATOM 1106 CB GLU A 66 9.442 -5.545 -9.842 1.00 0.00 C ATOM 1107 CG GLU A 66 8.398 -5.256 -10.922 1.00 0.00 C ATOM 1108 CD GLU A 66 8.949 -4.290 -11.973 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.056 -4.574 -12.480 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.252 -3.289 -12.245 1.00 0.00 O ATOM 0 H GLU A 66 7.726 -6.035 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 66 9.039 -7.626 -10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.375 -4.793 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.442 -5.472 -10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.098 -6.188 -11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.505 -4.831 -10.465 1.00 0.00 H new ATOM 1117 N ASP A 67 10.600 -7.003 -7.254 1.00 0.00 N ATOM 1118 CA ASP A 67 11.744 -7.376 -6.440 1.00 0.00 C ATOM 1119 C ASP A 67 11.757 -8.894 -6.249 1.00 0.00 C ATOM 1120 O ASP A 67 12.771 -9.545 -6.492 1.00 0.00 O ATOM 1121 CB ASP A 67 11.670 -6.727 -5.056 1.00 0.00 C ATOM 1122 CG ASP A 67 13.023 -6.391 -4.426 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.896 -5.909 -5.180 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.153 -6.623 -3.205 1.00 0.00 O ATOM 0 H ASP A 67 9.911 -6.419 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 67 12.645 -7.037 -6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.084 -5.811 -5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.130 -7.396 -4.386 1.00 0.00 H new ATOM 1129 N ARG A 68 10.617 -9.414 -5.817 1.00 0.00 N ATOM 1130 CA ARG A 68 10.484 -10.843 -5.591 1.00 0.00 C ATOM 1131 C ARG A 68 10.832 -11.616 -6.865 1.00 0.00 C ATOM 1132 O ARG A 68 11.773 -12.408 -6.877 1.00 0.00 O ATOM 1133 CB ARG A 68 9.061 -11.202 -5.158 1.00 0.00 C ATOM 1134 CG ARG A 68 8.898 -11.060 -3.643 1.00 0.00 C ATOM 1135 CD ARG A 68 8.396 -12.364 -3.021 1.00 0.00 C ATOM 1136 NE ARG A 68 9.429 -13.416 -3.149 1.00 0.00 N ATOM 1137 CZ ARG A 68 9.296 -14.662 -2.675 1.00 0.00 C ATOM 1138 NH1 ARG A 68 8.173 -15.020 -2.039 1.00 0.00 N ATOM 1139 NH2 ARG A 68 10.286 -15.551 -2.838 1.00 0.00 N ATOM 0 H ARG A 68 9.777 -8.871 -5.618 1.00 0.00 H new ATOM 0 HA ARG A 68 11.175 -11.119 -4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.348 -10.554 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.833 -12.225 -5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.853 -10.783 -3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.197 -10.255 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.154 -12.206 -1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.478 -12.682 -3.515 1.00 0.00 H new ATOM 0 HE ARG A 68 10.297 -13.177 -3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.419 -14.344 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.072 -15.969 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.141 -15.279 -3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.184 -16.500 -2.477 1.00 0.00 H new ATOM 1153 N ILE A 69 10.054 -11.358 -7.906 1.00 0.00 N ATOM 1154 CA ILE A 69 10.268 -12.020 -9.182 1.00 0.00 C ATOM 1155 C ILE A 69 11.771 -12.188 -9.419 1.00 0.00 C ATOM 1156 O ILE A 69 12.219 -13.246 -9.858 1.00 0.00 O ATOM 1157 CB ILE A 69 9.550 -11.267 -10.303 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.033 -11.303 -10.103 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.960 -11.806 -11.676 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.346 -10.211 -10.926 1.00 0.00 C ATOM 0 H ILE A 69 9.275 -10.700 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 69 9.833 -13.019 -9.170 1.00 0.00 H new ATOM 0 HB ILE A 69 9.856 -10.222 -10.263 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.647 -12.280 -10.394 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.798 -11.169 -9.047 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.435 -11.253 -12.455 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.035 -11.686 -11.808 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.702 -12.863 -11.744 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.269 -10.258 -10.766 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.716 -9.234 -10.615 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.563 -10.362 -11.984 1.00 0.00 H new ATOM 1172 N ILE A 70 12.507 -11.129 -9.116 1.00 0.00 N ATOM 1173 CA ILE A 70 13.949 -11.146 -9.290 1.00 0.00 C ATOM 1174 C ILE A 70 14.554 -12.231 -8.397 1.00 0.00 C ATOM 1175 O ILE A 70 15.025 -13.255 -8.890 1.00 0.00 O ATOM 1176 CB ILE A 70 14.535 -9.753 -9.048 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.781 -8.694 -9.854 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.037 -9.732 -9.338 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.643 -8.158 -10.998 1.00 0.00 C ATOM 0 H ILE A 70 12.132 -10.254 -8.751 1.00 0.00 H new ATOM 0 HA ILE A 70 14.205 -11.400 -10.319 1.00 0.00 H new ATOM 0 HB ILE A 70 14.407 -9.507 -7.994 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.863 -9.123 -10.256 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.489 -7.873 -9.199 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.428 -8.731 -9.158 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.544 -10.442 -8.685 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.211 -10.008 -10.378 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.083 -7.407 -11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.548 -7.708 -10.591 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.913 -8.977 -11.665 1.00 0.00 H new ATOM 1191 N PHE A 71 14.521 -11.970 -7.099 1.00 0.00 N ATOM 1192 CA PHE A 71 15.060 -12.911 -6.132 1.00 0.00 C ATOM 1193 C PHE A 71 14.561 -14.330 -6.412 1.00 0.00 C ATOM 1194 O PHE A 71 15.188 -15.305 -6.000 1.00 0.00 O ATOM 1195 CB PHE A 71 14.563 -12.471 -4.754 1.00 0.00 C ATOM 1196 CG PHE A 71 14.649 -13.562 -3.684 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.755 -14.586 -3.683 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.620 -13.506 -2.733 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.835 -15.598 -2.690 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.701 -14.518 -1.740 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.806 -15.543 -1.740 1.00 0.00 C ATOM 0 H PHE A 71 14.129 -11.120 -6.694 1.00 0.00 H new ATOM 0 HA PHE A 71 16.149 -12.919 -6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.145 -11.609 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.527 -12.142 -4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.984 -14.630 -4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 71 16.329 -12.692 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.124 -16.411 -2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 71 16.472 -14.474 -0.985 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.867 -16.313 -0.985 1.00 0.00 H new ATOM 1211 N GLU A 72 13.438 -14.401 -7.110 1.00 0.00 N ATOM 1212 CA GLU A 72 12.847 -15.685 -7.450 1.00 0.00 C ATOM 1213 C GLU A 72 13.553 -16.288 -8.667 1.00 0.00 C ATOM 1214 O GLU A 72 14.272 -17.278 -8.544 1.00 0.00 O ATOM 1215 CB GLU A 72 11.344 -15.548 -7.700 1.00 0.00 C ATOM 1216 CG GLU A 72 10.886 -16.490 -8.815 1.00 0.00 C ATOM 1217 CD GLU A 72 9.397 -16.817 -8.679 1.00 0.00 C ATOM 1218 OE1 GLU A 72 9.031 -17.363 -7.616 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.659 -16.515 -9.642 1.00 0.00 O ATOM 0 H GLU A 72 12.921 -13.590 -7.450 1.00 0.00 H new ATOM 0 HA GLU A 72 12.981 -16.360 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.797 -15.771 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.109 -14.518 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.074 -16.030 -9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.469 -17.410 -8.781 1.00 0.00 H new ATOM 1226 N ALA A 73 13.322 -15.665 -9.813 1.00 0.00 N ATOM 1227 CA ALA A 73 13.927 -16.128 -11.051 1.00 0.00 C ATOM 1228 C ALA A 73 15.418 -16.381 -10.821 1.00 0.00 C ATOM 1229 O ALA A 73 16.034 -17.172 -11.535 1.00 0.00 O ATOM 1230 CB ALA A 73 13.673 -15.103 -12.158 1.00 0.00 C ATOM 0 H ALA A 73 12.725 -14.844 -9.911 1.00 0.00 H new ATOM 0 HA ALA A 73 13.478 -17.069 -11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.127 -15.450 -13.086 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.599 -14.981 -12.302 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.112 -14.146 -11.875 1.00 0.00 H new ATOM 1236 N HIS A 74 15.955 -15.696 -9.823 1.00 0.00 N ATOM 1237 CA HIS A 74 17.363 -15.836 -9.491 1.00 0.00 C ATOM 1238 C HIS A 74 17.611 -17.217 -8.881 1.00 0.00 C ATOM 1239 O HIS A 74 18.591 -17.881 -9.215 1.00 0.00 O ATOM 1240 CB HIS A 74 17.823 -14.695 -8.582 1.00 0.00 C ATOM 1241 CG HIS A 74 19.321 -14.505 -8.546 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.102 -14.903 -7.475 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.172 -13.956 -9.460 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.364 -14.601 -7.743 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.405 -14.014 -8.973 1.00 0.00 N ATOM 0 H HIS A 74 15.441 -15.042 -9.233 1.00 0.00 H new ATOM 0 HA HIS A 74 17.963 -15.764 -10.398 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.357 -13.768 -8.916 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.466 -14.884 -7.569 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.890 -13.544 -10.418 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.212 -14.787 -7.100 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.245 -13.675 -9.442 1.00 0.00 H new ATOM 1253 N LYS A 75 16.705 -17.609 -7.997 1.00 0.00 N ATOM 1254 CA LYS A 75 16.813 -18.899 -7.337 1.00 0.00 C ATOM 1255 C LYS A 75 16.176 -19.974 -8.220 1.00 0.00 C ATOM 1256 O LYS A 75 16.016 -21.117 -7.795 1.00 0.00 O ATOM 1257 CB LYS A 75 16.221 -18.832 -5.928 1.00 0.00 C ATOM 1258 CG LYS A 75 14.731 -18.485 -5.974 1.00 0.00 C ATOM 1259 CD LYS A 75 14.030 -18.903 -4.681 1.00 0.00 C ATOM 1260 CE LYS A 75 12.522 -18.661 -4.772 1.00 0.00 C ATOM 1261 NZ LYS A 75 11.779 -19.914 -4.512 1.00 0.00 N ATOM 0 H LYS A 75 15.893 -17.056 -7.723 1.00 0.00 H new ATOM 0 HA LYS A 75 17.860 -19.172 -7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.360 -19.789 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.754 -18.084 -5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.608 -17.413 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.264 -18.984 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.221 -19.958 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.442 -18.342 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.226 -17.899 -4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.268 -18.279 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.757 -19.732 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.049 -20.630 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.008 -20.262 -3.559 1.00 0.00 H new ATOM 1275 N VAL A 76 15.829 -19.569 -9.433 1.00 0.00 N ATOM 1276 CA VAL A 76 15.213 -20.483 -10.380 1.00 0.00 C ATOM 1277 C VAL A 76 16.183 -20.745 -11.534 1.00 0.00 C ATOM 1278 O VAL A 76 16.057 -21.744 -12.241 1.00 0.00 O ATOM 1279 CB VAL A 76 13.867 -19.925 -10.846 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.039 -21.004 -11.547 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.093 -19.314 -9.676 1.00 0.00 C ATOM 0 H VAL A 76 15.963 -18.620 -9.782 1.00 0.00 H new ATOM 0 HA VAL A 76 15.005 -21.442 -9.905 1.00 0.00 H new ATOM 0 HB VAL A 76 14.064 -19.133 -11.568 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.087 -20.581 -11.868 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.584 -21.373 -12.416 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.856 -21.828 -10.857 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.140 -18.925 -10.034 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.912 -20.079 -8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.675 -18.503 -9.239 1.00 0.00 H new ATOM 1291 N LEU A 77 17.130 -19.831 -11.688 1.00 0.00 N ATOM 1292 CA LEU A 77 18.121 -19.951 -12.745 1.00 0.00 C ATOM 1293 C LEU A 77 19.518 -19.758 -12.151 1.00 0.00 C ATOM 1294 O LEU A 77 20.265 -20.722 -11.987 1.00 0.00 O ATOM 1295 CB LEU A 77 17.801 -18.989 -13.891 1.00 0.00 C ATOM 1296 CG LEU A 77 16.316 -18.735 -14.159 1.00 0.00 C ATOM 1297 CD1 LEU A 77 15.999 -17.239 -14.111 1.00 0.00 C ATOM 1298 CD2 LEU A 77 15.881 -19.371 -15.480 1.00 0.00 C ATOM 0 H LEU A 77 17.232 -19.005 -11.099 1.00 0.00 H new ATOM 0 HA LEU A 77 18.095 -20.949 -13.182 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.281 -18.033 -13.681 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.253 -19.379 -14.803 1.00 0.00 H new ATOM 0 HG LEU A 77 15.739 -19.212 -13.367 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.937 -17.086 -14.305 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.249 -16.846 -13.126 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.585 -16.718 -14.869 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.822 -19.176 -15.646 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.462 -18.944 -16.298 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.049 -20.447 -15.439 1.00 0.00 H new ATOM 1310 N GLY A 78 19.829 -18.507 -11.846 1.00 0.00 N ATOM 1311 CA GLY A 78 21.123 -18.176 -11.275 1.00 0.00 C ATOM 1312 C GLY A 78 21.726 -16.947 -11.959 1.00 0.00 C ATOM 1313 O GLY A 78 22.213 -17.036 -13.085 1.00 0.00 O ATOM 0 H GLY A 78 19.207 -17.710 -11.984 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.015 -17.986 -10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.799 -19.024 -11.381 1.00 0.00 H new ATOM 1317 N ASN A 79 21.675 -15.830 -11.250 1.00 0.00 N ATOM 1318 CA ASN A 79 22.211 -14.585 -11.775 1.00 0.00 C ATOM 1319 C ASN A 79 21.878 -14.480 -13.264 1.00 0.00 C ATOM 1320 O ASN A 79 22.608 -13.845 -14.024 1.00 0.00 O ATOM 1321 CB ASN A 79 23.733 -14.534 -11.626 1.00 0.00 C ATOM 1322 CG ASN A 79 24.291 -15.902 -11.231 1.00 0.00 C ATOM 1323 OD1 ASN A 79 23.992 -16.443 -10.179 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.117 -16.430 -12.130 1.00 0.00 N ATOM 0 H ASN A 79 21.271 -15.760 -10.316 1.00 0.00 H new ATOM 0 HA ASN A 79 21.766 -13.763 -11.214 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.183 -14.211 -12.565 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.004 -13.795 -10.872 1.00 0.00 H new ATOM 0 HD21 ASN A 79 25.542 -17.341 -11.959 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.325 -15.924 -12.991 1.00 0.00 H new ATOM 1331 N ARG A 80 20.775 -15.112 -13.638 1.00 0.00 N ATOM 1332 CA ARG A 80 20.336 -15.098 -15.023 1.00 0.00 C ATOM 1333 C ARG A 80 19.657 -13.766 -15.350 1.00 0.00 C ATOM 1334 O ARG A 80 18.532 -13.745 -15.846 1.00 0.00 O ATOM 1335 CB ARG A 80 19.361 -16.242 -15.304 1.00 0.00 C ATOM 1336 CG ARG A 80 20.034 -17.349 -16.118 1.00 0.00 C ATOM 1337 CD ARG A 80 20.678 -18.391 -15.200 1.00 0.00 C ATOM 1338 NE ARG A 80 20.713 -19.707 -15.875 1.00 0.00 N ATOM 1339 CZ ARG A 80 21.563 -20.692 -15.557 1.00 0.00 C ATOM 1340 NH1 ARG A 80 22.454 -20.516 -14.572 1.00 0.00 N ATOM 1341 NH2 ARG A 80 21.523 -21.854 -16.223 1.00 0.00 N ATOM 0 H ARG A 80 20.172 -15.637 -13.005 1.00 0.00 H new ATOM 0 HA ARG A 80 21.217 -15.225 -15.652 1.00 0.00 H new ATOM 0 HB2 ARG A 80 18.993 -16.650 -14.363 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.495 -15.862 -15.847 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.298 -17.831 -16.761 1.00 0.00 H new ATOM 0 HG3 ARG A 80 20.792 -16.916 -16.770 1.00 0.00 H new ATOM 0 HD2 ARG A 80 21.689 -18.081 -14.937 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.115 -18.465 -14.269 1.00 0.00 H new ATOM 0 HE ARG A 80 20.048 -19.875 -16.630 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.485 -19.632 -14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 80 23.101 -21.266 -14.330 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.845 -21.989 -16.973 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.171 -22.604 -15.980 1.00 0.00 H new ATOM 1355 N TRP A 81 20.370 -12.688 -15.061 1.00 0.00 N ATOM 1356 CA TRP A 81 19.850 -11.356 -15.318 1.00 0.00 C ATOM 1357 C TRP A 81 19.386 -11.303 -16.775 1.00 0.00 C ATOM 1358 O TRP A 81 18.377 -10.673 -17.087 1.00 0.00 O ATOM 1359 CB TRP A 81 20.892 -10.286 -14.983 1.00 0.00 C ATOM 1360 CG TRP A 81 21.816 -10.659 -13.822 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.147 -10.816 -13.844 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.421 -10.918 -12.459 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.637 -11.155 -12.600 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.554 -11.220 -11.730 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.149 -10.899 -11.860 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.529 -11.524 -10.364 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.141 -11.205 -10.494 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.272 -11.511 -9.747 1.00 0.00 C ATOM 0 H TRP A 81 21.304 -12.710 -14.651 1.00 0.00 H new ATOM 0 HA TRP A 81 18.997 -11.144 -14.673 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.498 -10.094 -15.869 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.378 -9.356 -14.740 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.759 -10.693 -14.725 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.614 -11.326 -12.362 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.249 -10.667 -12.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.430 -11.756 -9.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.189 -11.203 -9.985 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.182 -11.738 -8.695 1.00 0.00 H new ATOM 1379 N ALA A 82 20.147 -11.972 -17.630 1.00 0.00 N ATOM 1380 CA ALA A 82 19.826 -12.009 -19.046 1.00 0.00 C ATOM 1381 C ALA A 82 18.459 -12.669 -19.238 1.00 0.00 C ATOM 1382 O ALA A 82 17.859 -12.563 -20.307 1.00 0.00 O ATOM 1383 CB ALA A 82 20.937 -12.741 -19.802 1.00 0.00 C ATOM 0 H ALA A 82 20.985 -12.492 -17.369 1.00 0.00 H new ATOM 0 HA ALA A 82 19.765 -10.999 -19.452 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.696 -12.769 -20.865 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.882 -12.217 -19.657 1.00 0.00 H new ATOM 0 HB3 ALA A 82 21.025 -13.759 -19.423 1.00 0.00 H new ATOM 1389 N GLU A 83 18.005 -13.334 -18.186 1.00 0.00 N ATOM 1390 CA GLU A 83 16.720 -14.010 -18.225 1.00 0.00 C ATOM 1391 C GLU A 83 15.732 -13.328 -17.277 1.00 0.00 C ATOM 1392 O GLU A 83 14.522 -13.380 -17.493 1.00 0.00 O ATOM 1393 CB GLU A 83 16.870 -15.494 -17.885 1.00 0.00 C ATOM 1394 CG GLU A 83 18.191 -16.049 -18.422 1.00 0.00 C ATOM 1395 CD GLU A 83 18.359 -15.722 -19.908 1.00 0.00 C ATOM 1396 OE1 GLU A 83 17.403 -16.004 -20.662 1.00 0.00 O ATOM 1397 OE2 GLU A 83 19.440 -15.199 -20.255 1.00 0.00 O ATOM 0 H GLU A 83 18.505 -13.419 -17.301 1.00 0.00 H new ATOM 0 HA GLU A 83 16.327 -13.941 -19.239 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.827 -15.629 -16.804 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.037 -16.054 -18.310 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.023 -15.628 -17.857 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.221 -17.129 -18.278 1.00 0.00 H new ATOM 1404 N ILE A 84 16.284 -12.703 -16.248 1.00 0.00 N ATOM 1405 CA ILE A 84 15.467 -12.010 -15.266 1.00 0.00 C ATOM 1406 C ILE A 84 14.719 -10.863 -15.949 1.00 0.00 C ATOM 1407 O ILE A 84 13.522 -10.682 -15.733 1.00 0.00 O ATOM 1408 CB ILE A 84 16.319 -11.567 -14.076 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.016 -12.763 -13.425 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.485 -10.772 -13.070 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.130 -13.396 -12.350 1.00 0.00 C ATOM 0 H ILE A 84 17.288 -12.662 -16.073 1.00 0.00 H new ATOM 0 HA ILE A 84 14.714 -12.682 -14.855 1.00 0.00 H new ATOM 0 HB ILE A 84 17.100 -10.901 -14.444 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.258 -13.506 -14.185 1.00 0.00 H new ATOM 0 HG13 ILE A 84 17.959 -12.442 -12.982 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.115 -10.469 -12.234 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.076 -9.886 -13.556 1.00 0.00 H new ATOM 0 HG23 ILE A 84 14.668 -11.394 -12.703 1.00 0.00 H new ATOM 0 HD11 ILE A 84 16.649 -14.244 -11.903 1.00 0.00 H new ATOM 0 HD12 ILE A 84 15.910 -12.658 -11.579 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.199 -13.738 -12.801 1.00 0.00 H new ATOM 1423 N ALA A 85 15.457 -10.118 -16.759 1.00 0.00 N ATOM 1424 CA ALA A 85 14.879 -8.993 -17.474 1.00 0.00 C ATOM 1425 C ALA A 85 13.964 -9.516 -18.583 1.00 0.00 C ATOM 1426 O ALA A 85 12.914 -8.933 -18.853 1.00 0.00 O ATOM 1427 CB ALA A 85 15.999 -8.102 -18.015 1.00 0.00 C ATOM 0 H ALA A 85 16.450 -10.271 -16.936 1.00 0.00 H new ATOM 0 HA ALA A 85 14.272 -8.384 -16.805 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.565 -7.258 -18.551 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.603 -7.733 -17.186 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.627 -8.679 -18.693 1.00 0.00 H new ATOM 1433 N LYS A 86 14.395 -10.608 -19.197 1.00 0.00 N ATOM 1434 CA LYS A 86 13.627 -11.215 -20.271 1.00 0.00 C ATOM 1435 C LYS A 86 12.138 -11.147 -19.928 1.00 0.00 C ATOM 1436 O LYS A 86 11.296 -11.048 -20.820 1.00 0.00 O ATOM 1437 CB LYS A 86 14.129 -12.633 -20.552 1.00 0.00 C ATOM 1438 CG LYS A 86 15.307 -12.614 -21.529 1.00 0.00 C ATOM 1439 CD LYS A 86 14.818 -12.537 -22.977 1.00 0.00 C ATOM 1440 CE LYS A 86 15.995 -12.552 -23.954 1.00 0.00 C ATOM 1441 NZ LYS A 86 15.589 -13.154 -25.244 1.00 0.00 N ATOM 0 H LYS A 86 15.266 -11.088 -18.971 1.00 0.00 H new ATOM 0 HA LYS A 86 13.766 -10.662 -21.200 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.434 -13.106 -19.619 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.319 -13.234 -20.965 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.950 -11.761 -21.313 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.911 -13.511 -21.393 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.156 -13.377 -23.186 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.234 -11.628 -23.120 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.353 -11.536 -24.117 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.823 -13.117 -23.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.399 -13.157 -25.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.269 -14.131 -25.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.814 -12.598 -25.658 1.00 0.00 H new ATOM 1455 N LEU A 87 11.857 -11.204 -18.635 1.00 0.00 N ATOM 1456 CA LEU A 87 10.484 -11.150 -18.163 1.00 0.00 C ATOM 1457 C LEU A 87 9.997 -9.699 -18.189 1.00 0.00 C ATOM 1458 O LEU A 87 8.941 -9.405 -18.747 1.00 0.00 O ATOM 1459 CB LEU A 87 10.361 -11.815 -16.791 1.00 0.00 C ATOM 1460 CG LEU A 87 9.290 -12.900 -16.665 1.00 0.00 C ATOM 1461 CD1 LEU A 87 9.569 -13.810 -15.467 1.00 0.00 C ATOM 1462 CD2 LEU A 87 7.890 -12.284 -16.603 1.00 0.00 C ATOM 0 H LEU A 87 12.558 -11.287 -17.898 1.00 0.00 H new ATOM 0 HA LEU A 87 9.831 -11.718 -18.826 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.325 -12.253 -16.534 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.155 -11.041 -16.051 1.00 0.00 H new ATOM 0 HG LEU A 87 9.329 -13.523 -17.558 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.793 -14.572 -15.401 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.539 -14.290 -15.593 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.574 -13.217 -14.553 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.147 -13.077 -16.514 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.821 -11.623 -15.739 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.703 -11.713 -17.512 1.00 0.00 H new ATOM 1474 N LEU A 88 10.791 -8.831 -17.578 1.00 0.00 N ATOM 1475 CA LEU A 88 10.454 -7.419 -17.524 1.00 0.00 C ATOM 1476 C LEU A 88 11.285 -6.661 -18.561 1.00 0.00 C ATOM 1477 O LEU A 88 12.503 -6.552 -18.426 1.00 0.00 O ATOM 1478 CB LEU A 88 10.612 -6.885 -16.099 1.00 0.00 C ATOM 1479 CG LEU A 88 9.611 -7.414 -15.070 1.00 0.00 C ATOM 1480 CD1 LEU A 88 8.211 -6.855 -15.329 1.00 0.00 C ATOM 1481 CD2 LEU A 88 9.620 -8.943 -15.032 1.00 0.00 C ATOM 0 H LEU A 88 11.666 -9.079 -17.116 1.00 0.00 H new ATOM 0 HA LEU A 88 9.406 -7.267 -17.782 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.618 -7.122 -15.753 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.533 -5.798 -16.128 1.00 0.00 H new ATOM 0 HG LEU A 88 9.919 -7.066 -14.084 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.519 -7.247 -14.583 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.236 -5.767 -15.265 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.879 -7.152 -16.324 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.900 -9.293 -14.292 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.351 -9.333 -16.014 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.616 -9.294 -14.763 1.00 0.00 H new ATOM 1493 N PRO A 89 10.576 -6.143 -19.599 1.00 0.00 N ATOM 1494 CA PRO A 89 11.235 -5.398 -20.658 1.00 0.00 C ATOM 1495 C PRO A 89 11.627 -3.998 -20.182 1.00 0.00 C ATOM 1496 O PRO A 89 10.788 -3.252 -19.678 1.00 0.00 O ATOM 1497 CB PRO A 89 10.237 -5.378 -21.805 1.00 0.00 C ATOM 1498 CG PRO A 89 8.887 -5.705 -21.188 1.00 0.00 C ATOM 1499 CD PRO A 89 9.133 -6.252 -19.792 1.00 0.00 C ATOM 0 HA PRO A 89 12.173 -5.855 -20.972 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.219 -4.402 -22.290 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.505 -6.108 -22.569 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.261 -4.813 -21.144 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.356 -6.437 -21.797 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.589 -5.679 -19.041 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.799 -7.286 -19.708 1.00 0.00 H new ATOM 1507 N GLY A 90 12.901 -3.682 -20.358 1.00 0.00 N ATOM 1508 CA GLY A 90 13.414 -2.385 -19.953 1.00 0.00 C ATOM 1509 C GLY A 90 14.472 -2.531 -18.858 1.00 0.00 C ATOM 1510 O GLY A 90 14.929 -1.538 -18.294 1.00 0.00 O ATOM 0 H GLY A 90 13.594 -4.303 -20.776 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.845 -1.875 -20.815 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.595 -1.763 -19.592 1.00 0.00 H new ATOM 1514 N ARG A 91 14.831 -3.778 -18.589 1.00 0.00 N ATOM 1515 CA ARG A 91 15.827 -4.068 -17.571 1.00 0.00 C ATOM 1516 C ARG A 91 17.057 -4.723 -18.203 1.00 0.00 C ATOM 1517 O ARG A 91 18.092 -4.865 -17.554 1.00 0.00 O ATOM 1518 CB ARG A 91 15.260 -4.994 -16.494 1.00 0.00 C ATOM 1519 CG ARG A 91 14.940 -4.217 -15.215 1.00 0.00 C ATOM 1520 CD ARG A 91 13.969 -3.070 -15.499 1.00 0.00 C ATOM 1521 NE ARG A 91 12.574 -3.530 -15.313 1.00 0.00 N ATOM 1522 CZ ARG A 91 11.498 -2.861 -15.748 1.00 0.00 C ATOM 1523 NH1 ARG A 91 11.649 -1.697 -16.396 1.00 0.00 N ATOM 1524 NH2 ARG A 91 10.271 -3.354 -15.534 1.00 0.00 N ATOM 0 H ARG A 91 14.450 -4.599 -19.059 1.00 0.00 H new ATOM 0 HA ARG A 91 16.113 -3.124 -17.108 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.357 -5.479 -16.865 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.978 -5.784 -16.274 1.00 0.00 H new ATOM 0 HG2 ARG A 91 14.507 -4.890 -14.475 1.00 0.00 H new ATOM 0 HG3 ARG A 91 15.860 -3.821 -14.786 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.177 -2.233 -14.832 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.109 -2.708 -16.518 1.00 0.00 H new ATOM 0 HE ARG A 91 12.423 -4.412 -14.823 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.583 -1.321 -16.558 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.830 -1.188 -16.727 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.156 -4.239 -15.040 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.452 -2.845 -15.865 1.00 0.00 H new ATOM 1538 N THR A 92 16.903 -5.106 -19.462 1.00 0.00 N ATOM 1539 CA THR A 92 17.987 -5.744 -20.189 1.00 0.00 C ATOM 1540 C THR A 92 18.652 -6.815 -19.323 1.00 0.00 C ATOM 1541 O THR A 92 18.224 -7.969 -19.318 1.00 0.00 O ATOM 1542 CB THR A 92 18.953 -4.651 -20.651 1.00 0.00 C ATOM 1543 OG1 THR A 92 19.256 -3.929 -19.460 1.00 0.00 O ATOM 1544 CG2 THR A 92 18.278 -3.615 -21.552 1.00 0.00 C ATOM 0 H THR A 92 16.043 -4.987 -19.997 1.00 0.00 H new ATOM 0 HA THR A 92 17.618 -6.267 -21.071 1.00 0.00 H new ATOM 0 HB THR A 92 19.788 -5.107 -21.184 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.866 -3.192 -19.671 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.008 -2.863 -21.851 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.881 -4.108 -22.439 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.464 -3.135 -21.008 1.00 0.00 H new ATOM 1552 N ASP A 93 19.688 -6.397 -18.610 1.00 0.00 N ATOM 1553 CA ASP A 93 20.416 -7.307 -17.742 1.00 0.00 C ATOM 1554 C ASP A 93 21.188 -6.499 -16.697 1.00 0.00 C ATOM 1555 O ASP A 93 21.178 -6.838 -15.515 1.00 0.00 O ATOM 1556 CB ASP A 93 21.425 -8.138 -18.538 1.00 0.00 C ATOM 1557 CG ASP A 93 21.992 -7.450 -19.781 1.00 0.00 C ATOM 1558 OD1 ASP A 93 21.282 -7.459 -20.809 1.00 0.00 O ATOM 1559 OD2 ASP A 93 23.124 -6.929 -19.674 1.00 0.00 O ATOM 0 H ASP A 93 20.041 -5.440 -18.616 1.00 0.00 H new ATOM 0 HA ASP A 93 19.694 -7.973 -17.269 1.00 0.00 H new ATOM 0 HB2 ASP A 93 22.252 -8.405 -17.880 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.946 -9.069 -18.843 1.00 0.00 H new ATOM 1564 N ASN A 94 21.838 -5.446 -17.171 1.00 0.00 N ATOM 1565 CA ASN A 94 22.613 -4.588 -16.291 1.00 0.00 C ATOM 1566 C ASN A 94 21.697 -4.010 -15.211 1.00 0.00 C ATOM 1567 O ASN A 94 22.152 -3.682 -14.117 1.00 0.00 O ATOM 1568 CB ASN A 94 23.228 -3.420 -17.064 1.00 0.00 C ATOM 1569 CG ASN A 94 22.296 -2.951 -18.184 1.00 0.00 C ATOM 1570 OD1 ASN A 94 21.263 -2.344 -17.953 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.716 -3.267 -19.405 1.00 0.00 N ATOM 0 H ASN A 94 21.844 -5.168 -18.152 1.00 0.00 H new ATOM 0 HA ASN A 94 23.409 -5.188 -15.850 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.428 -2.593 -16.382 1.00 0.00 H new ATOM 0 HB3 ASN A 94 24.186 -3.723 -17.486 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.163 -3.000 -20.220 1.00 0.00 H new ATOM 0 HD22 ASN A 94 23.591 -3.777 -19.527 1.00 0.00 H new ATOM 1578 N ALA A 95 20.422 -3.904 -15.557 1.00 0.00 N ATOM 1579 CA ALA A 95 19.438 -3.371 -14.630 1.00 0.00 C ATOM 1580 C ALA A 95 19.325 -4.302 -13.422 1.00 0.00 C ATOM 1581 O ALA A 95 19.650 -3.913 -12.301 1.00 0.00 O ATOM 1582 CB ALA A 95 18.101 -3.191 -15.353 1.00 0.00 C ATOM 0 H ALA A 95 20.048 -4.178 -16.466 1.00 0.00 H new ATOM 0 HA ALA A 95 19.747 -2.392 -14.264 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.363 -2.791 -14.658 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.228 -2.499 -16.186 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.759 -4.155 -15.731 1.00 0.00 H new ATOM 1588 N VAL A 96 18.864 -5.515 -13.690 1.00 0.00 N ATOM 1589 CA VAL A 96 18.705 -6.505 -12.638 1.00 0.00 C ATOM 1590 C VAL A 96 20.069 -6.802 -12.012 1.00 0.00 C ATOM 1591 O VAL A 96 20.263 -6.602 -10.814 1.00 0.00 O ATOM 1592 CB VAL A 96 18.019 -7.754 -13.194 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.808 -8.799 -12.097 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.694 -7.396 -13.871 1.00 0.00 C ATOM 0 H VAL A 96 18.595 -5.835 -14.621 1.00 0.00 H new ATOM 0 HA VAL A 96 18.061 -6.121 -11.847 1.00 0.00 H new ATOM 0 HB VAL A 96 18.675 -8.188 -13.948 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.319 -9.676 -12.520 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.772 -9.087 -11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.182 -8.379 -11.310 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.227 -8.302 -14.258 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.030 -6.926 -13.145 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.880 -6.705 -14.693 1.00 0.00 H new ATOM 1604 N LYS A 97 20.980 -7.274 -12.851 1.00 0.00 N ATOM 1605 CA LYS A 97 22.320 -7.600 -12.395 1.00 0.00 C ATOM 1606 C LYS A 97 22.790 -6.534 -11.403 1.00 0.00 C ATOM 1607 O LYS A 97 23.079 -6.840 -10.248 1.00 0.00 O ATOM 1608 CB LYS A 97 23.261 -7.788 -13.587 1.00 0.00 C ATOM 1609 CG LYS A 97 24.661 -8.193 -13.122 1.00 0.00 C ATOM 1610 CD LYS A 97 25.567 -8.503 -14.315 1.00 0.00 C ATOM 1611 CE LYS A 97 25.899 -7.230 -15.096 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.327 -6.877 -14.929 1.00 0.00 N ATOM 0 H LYS A 97 20.816 -7.438 -13.844 1.00 0.00 H new ATOM 0 HA LYS A 97 22.321 -8.552 -11.865 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.861 -8.551 -14.254 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.318 -6.862 -14.160 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.097 -7.390 -12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.594 -9.067 -12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.488 -8.970 -13.965 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.076 -9.220 -14.973 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.676 -7.376 -16.153 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.272 -6.409 -14.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.536 -6.011 -15.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.530 -6.718 -13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.920 -7.654 -15.283 1.00 0.00 H new ATOM 1626 N ASN A 98 22.852 -5.303 -11.891 1.00 0.00 N ATOM 1627 CA ASN A 98 23.282 -4.190 -11.062 1.00 0.00 C ATOM 1628 C ASN A 98 22.347 -4.066 -9.858 1.00 0.00 C ATOM 1629 O ASN A 98 22.794 -4.115 -8.713 1.00 0.00 O ATOM 1630 CB ASN A 98 23.230 -2.873 -11.839 1.00 0.00 C ATOM 1631 CG ASN A 98 23.928 -1.752 -11.065 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.393 -1.185 -10.126 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.148 -1.467 -11.510 1.00 0.00 N ATOM 0 H ASN A 98 22.612 -5.052 -12.850 1.00 0.00 H new ATOM 0 HA ASN A 98 24.307 -4.381 -10.745 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.707 -3.001 -12.811 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.192 -2.598 -12.027 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.697 -0.734 -11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.535 -1.981 -12.301 1.00 0.00 H new ATOM 1640 N HIS A 99 21.066 -3.908 -10.157 1.00 0.00 N ATOM 1641 CA HIS A 99 20.065 -3.776 -9.113 1.00 0.00 C ATOM 1642 C HIS A 99 20.321 -4.818 -8.021 1.00 0.00 C ATOM 1643 O HIS A 99 19.975 -4.604 -6.861 1.00 0.00 O ATOM 1644 CB HIS A 99 18.654 -3.867 -9.698 1.00 0.00 C ATOM 1645 CG HIS A 99 17.555 -3.802 -8.665 1.00 0.00 C ATOM 1646 ND1 HIS A 99 16.350 -4.439 -8.604 1.00 0.00 N flip ATOM 1647 CD2 HIS A 99 17.634 -3.007 -7.535 1.00 0.00 C flip ATOM 1648 CE1 HIS A 99 15.729 -4.056 -7.496 1.00 0.00 C flip ATOM 1649 NE2 HIS A 99 16.523 -3.168 -6.832 1.00 0.00 N flip ATOM 0 H HIS A 99 20.699 -3.868 -11.108 1.00 0.00 H new ATOM 0 HA HIS A 99 20.143 -2.791 -8.653 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.515 -3.056 -10.413 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.562 -4.800 -10.253 1.00 0.00 H new ATOM 0 HD1 HIS A 99 15.988 -5.098 -9.293 1.00 0.00 H new ATOM 0 HD2 HIS A 99 18.461 -2.364 -7.271 1.00 0.00 H new ATOM 0 HE1 HIS A 99 14.755 -4.392 -7.173 1.00 0.00 H new ATOM 1657 N TRP A 100 20.926 -5.922 -8.433 1.00 0.00 N ATOM 1658 CA TRP A 100 21.233 -6.997 -7.505 1.00 0.00 C ATOM 1659 C TRP A 100 22.218 -6.458 -6.466 1.00 0.00 C ATOM 1660 O TRP A 100 21.866 -6.295 -5.298 1.00 0.00 O ATOM 1661 CB TRP A 100 21.760 -8.228 -8.246 1.00 0.00 C ATOM 1662 CG TRP A 100 21.558 -9.543 -7.491 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.472 -10.482 -7.211 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.322 -10.030 -6.928 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.918 -11.534 -6.511 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.569 -11.251 -6.334 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.038 -9.458 -6.921 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.580 -12.003 -5.688 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.060 -10.222 -6.273 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.292 -11.453 -5.669 1.00 0.00 C ATOM 0 H TRP A 100 21.212 -6.095 -9.397 1.00 0.00 H new ATOM 0 HA TRP A 100 20.332 -7.331 -6.990 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.263 -8.297 -9.214 1.00 0.00 H new ATOM 0 HB3 TRP A 100 22.824 -8.093 -8.442 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.512 -10.423 -7.497 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.408 -12.366 -6.184 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.823 -8.504 -7.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.799 -12.956 -5.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.055 -9.828 -6.240 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.483 -11.982 -5.188 1.00 0.00 H new ATOM 1681 N ASN A 101 23.432 -6.196 -6.927 1.00 0.00 N ATOM 1682 CA ASN A 101 24.470 -5.679 -6.052 1.00 0.00 C ATOM 1683 C ASN A 101 24.128 -4.241 -5.657 1.00 0.00 C ATOM 1684 O ASN A 101 24.843 -3.622 -4.871 1.00 0.00 O ATOM 1685 CB ASN A 101 25.828 -5.665 -6.757 1.00 0.00 C ATOM 1686 CG ASN A 101 26.336 -7.088 -6.995 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.681 -7.814 -6.077 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.363 -7.445 -8.276 1.00 0.00 N ATOM 0 H ASN A 101 23.720 -6.332 -7.896 1.00 0.00 H new ATOM 0 HA ASN A 101 24.525 -6.325 -5.176 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.742 -5.142 -7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.549 -5.113 -6.154 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.687 -8.376 -8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.060 -6.788 -8.995 1.00 0.00 H new ATOM 1695 N SER A 102 23.034 -3.750 -6.221 1.00 0.00 N ATOM 1696 CA SER A 102 22.588 -2.397 -5.937 1.00 0.00 C ATOM 1697 C SER A 102 22.020 -2.319 -4.519 1.00 0.00 C ATOM 1698 O SER A 102 22.710 -1.900 -3.592 1.00 0.00 O ATOM 1699 CB SER A 102 21.541 -1.937 -6.954 1.00 0.00 C ATOM 1700 OG SER A 102 22.066 -1.896 -8.279 1.00 0.00 O ATOM 0 H SER A 102 22.443 -4.265 -6.874 1.00 0.00 H new ATOM 0 HA SER A 102 23.448 -1.731 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.685 -2.611 -6.924 1.00 0.00 H new ATOM 0 HB3 SER A 102 21.177 -0.948 -6.677 1.00 0.00 H new ATOM 0 HG SER A 102 22.725 -1.174 -8.348 1.00 0.00 H new ATOM 1706 N THR A 103 20.766 -2.731 -4.395 1.00 0.00 N ATOM 1707 CA THR A 103 20.097 -2.713 -3.105 1.00 0.00 C ATOM 1708 C THR A 103 19.688 -4.130 -2.697 1.00 0.00 C ATOM 1709 O THR A 103 19.337 -4.370 -1.543 1.00 0.00 O ATOM 1710 CB THR A 103 18.918 -1.743 -3.197 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.501 -0.464 -2.962 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.925 -1.917 -2.046 1.00 0.00 C ATOM 0 H THR A 103 20.196 -3.079 -5.166 1.00 0.00 H new ATOM 0 HA THR A 103 20.764 -2.362 -2.318 1.00 0.00 H new ATOM 0 HB THR A 103 18.402 -1.888 -4.146 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.806 0.225 -3.005 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.108 -1.205 -2.160 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.526 -2.931 -2.060 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.432 -1.739 -1.098 1.00 0.00 H new ATOM 1720 N ILE A 104 19.747 -5.031 -3.667 1.00 0.00 N ATOM 1721 CA ILE A 104 19.387 -6.417 -3.423 1.00 0.00 C ATOM 1722 C ILE A 104 20.640 -7.203 -3.030 1.00 0.00 C ATOM 1723 O ILE A 104 20.781 -8.372 -3.386 1.00 0.00 O ATOM 1724 CB ILE A 104 18.650 -7.000 -4.630 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.763 -5.944 -5.293 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.859 -8.250 -4.239 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.216 -6.447 -6.630 1.00 0.00 C ATOM 0 H ILE A 104 20.039 -4.828 -4.623 1.00 0.00 H new ATOM 0 HA ILE A 104 18.690 -6.488 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 104 19.392 -7.307 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.936 -5.691 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.336 -5.030 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.345 -8.644 -5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.541 -9.005 -3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.127 -7.993 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.589 -5.677 -7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.045 -6.676 -7.299 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.623 -7.347 -6.465 1.00 0.00 H new ATOM 1739 N LYS A 105 21.517 -6.530 -2.300 1.00 0.00 N ATOM 1740 CA LYS A 105 22.753 -7.150 -1.855 1.00 0.00 C ATOM 1741 C LYS A 105 23.220 -6.477 -0.563 1.00 0.00 C ATOM 1742 O LYS A 105 24.124 -5.643 -0.584 1.00 0.00 O ATOM 1743 CB LYS A 105 23.798 -7.127 -2.972 1.00 0.00 C ATOM 1744 CG LYS A 105 23.522 -8.223 -4.003 1.00 0.00 C ATOM 1745 CD LYS A 105 23.403 -9.592 -3.330 1.00 0.00 C ATOM 1746 CE LYS A 105 24.202 -10.650 -4.094 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.695 -12.006 -3.784 1.00 0.00 N ATOM 0 H LYS A 105 21.396 -5.561 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 105 22.589 -8.203 -1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.792 -6.153 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.793 -7.264 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.601 -7.997 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.325 -8.245 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.764 -9.529 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.355 -9.887 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.130 -10.465 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.257 -10.580 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.388 -12.716 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.546 -12.095 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 22.794 -12.161 -4.279 1.00 0.00 H new ATOM 1761 N ARG A 106 22.582 -6.864 0.532 1.00 0.00 N ATOM 1762 CA ARG A 106 22.921 -6.308 1.832 1.00 0.00 C ATOM 1763 C ARG A 106 24.348 -6.701 2.221 1.00 0.00 C ATOM 1764 O ARG A 106 25.233 -5.850 2.289 1.00 0.00 O ATOM 1765 CB ARG A 106 21.952 -6.798 2.910 1.00 0.00 C ATOM 1766 CG ARG A 106 21.400 -8.182 2.563 1.00 0.00 C ATOM 1767 CD ARG A 106 20.027 -8.073 1.896 1.00 0.00 C ATOM 1768 NE ARG A 106 19.896 -9.099 0.837 1.00 0.00 N ATOM 1769 CZ ARG A 106 19.864 -10.418 1.069 1.00 0.00 C ATOM 1770 NH1 ARG A 106 19.954 -10.880 2.324 1.00 0.00 N ATOM 1771 NH2 ARG A 106 19.743 -11.275 0.047 1.00 0.00 N ATOM 0 H ARG A 106 21.832 -7.556 0.546 1.00 0.00 H new ATOM 0 HA ARG A 106 22.846 -5.223 1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 106 22.462 -6.837 3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 106 21.130 -6.090 3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 106 22.092 -8.697 1.897 1.00 0.00 H new ATOM 0 HG3 ARG A 106 21.322 -8.784 3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 106 19.241 -8.204 2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 106 19.899 -7.079 1.468 1.00 0.00 H new ATOM 0 HE ARG A 106 19.826 -8.782 -0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 106 20.047 -10.227 3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 106 19.930 -11.884 2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.675 -10.923 -0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 106 19.719 -12.279 0.224 1.00 0.00 H new ATOM 1785 N LYS A 107 24.526 -7.991 2.467 1.00 0.00 N ATOM 1786 CA LYS A 107 25.830 -8.506 2.848 1.00 0.00 C ATOM 1787 C LYS A 107 26.787 -8.387 1.661 1.00 0.00 C ATOM 1788 O LYS A 107 26.864 -9.289 0.828 1.00 0.00 O ATOM 1789 CB LYS A 107 25.704 -9.929 3.397 1.00 0.00 C ATOM 1790 CG LYS A 107 26.547 -10.106 4.661 1.00 0.00 C ATOM 1791 CD LYS A 107 27.611 -11.188 4.463 1.00 0.00 C ATOM 1792 CE LYS A 107 28.358 -11.468 5.769 1.00 0.00 C ATOM 1793 NZ LYS A 107 28.876 -12.854 5.783 1.00 0.00 N ATOM 0 H LYS A 107 23.789 -8.694 2.410 1.00 0.00 H new ATOM 0 HA LYS A 107 26.252 -7.912 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 107 24.659 -10.146 3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 107 26.024 -10.644 2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 107 27.027 -9.162 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 107 25.902 -10.374 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 107 27.141 -12.104 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 107 28.318 -10.872 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 107 29.183 -10.764 5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 107 27.690 -11.314 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 29.380 -13.027 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 28.083 -13.522 5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 29.529 -12.989 4.985 1.00 0.00 H new ATOM 1807 N VAL A 108 27.494 -7.267 1.622 1.00 0.00 N ATOM 1808 CA VAL A 108 28.444 -7.019 0.551 1.00 0.00 C ATOM 1809 C VAL A 108 29.867 -7.150 1.096 1.00 0.00 C ATOM 1810 O VAL A 108 30.663 -7.934 0.580 1.00 0.00 O ATOM 1811 CB VAL A 108 28.171 -5.654 -0.085 1.00 0.00 C ATOM 1812 CG1 VAL A 108 28.480 -5.675 -1.583 1.00 0.00 C ATOM 1813 CG2 VAL A 108 26.730 -5.208 0.172 1.00 0.00 C ATOM 0 H VAL A 108 27.428 -6.521 2.315 1.00 0.00 H new ATOM 0 HA VAL A 108 28.329 -7.760 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 108 28.835 -4.927 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 108 28.277 -4.693 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 108 29.530 -5.927 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 108 27.854 -6.420 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 108 26.562 -4.235 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 108 26.042 -5.937 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 108 26.558 -5.134 1.246 1.00 0.00 H new ATOM 1823 N ASP A 109 30.144 -6.372 2.131 1.00 0.00 N ATOM 1824 CA ASP A 109 31.458 -6.392 2.752 1.00 0.00 C ATOM 1825 C ASP A 109 31.332 -5.966 4.216 1.00 0.00 C ATOM 1826 O ASP A 109 31.694 -4.847 4.575 1.00 0.00 O ATOM 1827 CB ASP A 109 32.410 -5.417 2.057 1.00 0.00 C ATOM 1828 CG ASP A 109 33.895 -5.767 2.177 1.00 0.00 C ATOM 1829 OD1 ASP A 109 34.238 -6.915 1.821 1.00 0.00 O ATOM 1830 OD2 ASP A 109 34.653 -4.879 2.623 1.00 0.00 O ATOM 0 H ASP A 109 29.481 -5.723 2.556 1.00 0.00 H new ATOM 0 HA ASP A 109 31.854 -7.404 2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 109 32.148 -5.368 1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 109 32.252 -4.421 2.471 1.00 0.00 H new ATOM 1835 N THR A 110 30.817 -6.883 5.023 1.00 0.00 N ATOM 1836 CA THR A 110 30.639 -6.616 6.441 1.00 0.00 C ATOM 1837 C THR A 110 31.982 -6.289 7.095 1.00 0.00 C ATOM 1838 O THR A 110 33.006 -6.876 6.746 1.00 0.00 O ATOM 1839 CB THR A 110 29.937 -7.825 7.064 1.00 0.00 C ATOM 1840 OG1 THR A 110 30.697 -8.941 6.609 1.00 0.00 O ATOM 1841 CG2 THR A 110 28.543 -8.059 6.478 1.00 0.00 C ATOM 0 H THR A 110 30.518 -7.811 4.722 1.00 0.00 H new ATOM 0 HA THR A 110 30.013 -5.739 6.603 1.00 0.00 H new ATOM 0 HB THR A 110 29.858 -7.683 8.142 1.00 0.00 H new ATOM 0 HG1 THR A 110 30.659 -9.657 7.277 1.00 0.00 H new ATOM 0 HG21 THR A 110 28.089 -8.928 6.954 1.00 0.00 H new ATOM 0 HG22 THR A 110 27.921 -7.182 6.656 1.00 0.00 H new ATOM 0 HG23 THR A 110 28.624 -8.234 5.405 1.00 0.00 H new TER 1849 THR A 110