USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1047 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 40 THR OG1 : rot 147:sc= 1.61 USER MOD Set 1.2: A 128 TYR OH : rot 180:sc= 1.41 USER MOD Set 2.1: A 125 THR OG1 : rot 29:sc= 1.14 USER MOD Set 2.2: A 127 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 82 SER OG : rot 14:sc= 1.77 USER MOD Set 3.2: A 93 HIS : no HD1:sc= -1.16 K(o=1.8,f=-8.4!) USER MOD Set 3.3: A 95 GLN : amide:sc= 1.15 K(o=1.8,f=-1.7) USER MOD Set 4.1: A 45 ASN : amide:sc= 1.08 K(o=3.3,f=1.2) USER MOD Set 4.2: A 48 THR OG1 : rot -71:sc= 2.22 USER MOD Set 5.1: A 37 LYS NZ :NH3+ -162:sc= -0.163 (180deg=-0.911) USER MOD Set 5.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 36 THR OG1 : rot -67:sc= 1.19 USER MOD Set 6.2: A 55 SER OG : rot -47:sc= 1.71 USER MOD Set 7.1: A 34 ASN : amide:sc= -0.89 K(o=-1,f=-5) USER MOD Set 7.2: A 35 MET CE :methyl 179:sc= -0.148 (180deg=-0.00108) USER MOD Set 8.1: A 19 TYR OH : rot -153:sc= 1.22 USER MOD Set 8.2: A 102 THR OG1 : rot -69:sc= 1.49 USER MOD Single : A 1 VAL N :NH3+ -170:sc= -0.193 (180deg=-0.301) USER MOD Single : A 7 THR OG1 : rot 82:sc= 0.992 USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= 2.41 (180deg=1.35) USER MOD Single : A 13 SER OG : rot 45:sc= 1.23 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc=-0.00175 K(o=-0.0018,f=-0.91) USER MOD Single : A 20 MET CE :methyl -147:sc= -0.266 (180deg=-3.16!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -160:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 31 GLN : amide:sc= -0.447 K(o=-0.45,f=-3!) USER MOD Single : A 39 THR OG1 : rot 43:sc= 1.24 USER MOD Single : A 52 LYS NZ :NH3+ 142:sc= 0.417 (180deg=-3.75!) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0424 F(o=-0.74,f=-0.042) USER MOD Single : A 56 THR OG1 : rot -48:sc= 0.758 USER MOD Single : A 58 LYS NZ :NH3+ -154:sc= -0.555 (180deg=-1.76) USER MOD Single : A 59 ASN : amide:sc= 0.957 K(o=0.96,f=-6.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00306 USER MOD Single : A 63 SER OG : rot 51:sc= 0.598 USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0.339 (180deg=0.0966) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 74 THR OG1 : rot -66:sc= 1.23 USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= -0.976 (180deg=-1.14) USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= 1.11 (180deg=0.58) USER MOD Single : A 85 THR OG1 : rot 43:sc= -0.262 USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 2.13 (180deg=2.04) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= 2.31 (180deg=0.954) USER MOD Single : A 98 ASN : amide:sc= -1.42 K(o=-1.4,f=-4.1) USER MOD Single : A 100 GLN : amide:sc= -0.664! C(o=-0.66!,f=-3.5!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.235 USER MOD Single : A 108 MET CE :methyl -158:sc=-0.00681 (180deg=-0.0623) USER MOD Single : A 112 LYS NZ :NH3+ 134:sc= 1.2 (180deg=0.524) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.0009) USER MOD Single : A 121 THR OG1 : rot 73:sc= 1.04 USER MOD Single : A 124 CYS SG : rot -166:sc= -0.198 USER MOD Single : A 130 LYS NZ :NH3+ -166:sc= 2.43 (180deg=2.25) USER MOD Single : A 131 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.153 -12.520 -4.646 1.00 0.00 N ATOM 2 CA VAL A 1 11.187 -11.855 -3.351 1.00 0.00 C ATOM 3 C VAL A 1 12.271 -10.772 -3.317 1.00 0.00 C ATOM 4 O VAL A 1 12.068 -9.723 -2.701 1.00 0.00 O ATOM 5 CB VAL A 1 11.325 -12.898 -2.225 1.00 0.00 C ATOM 6 CG1 VAL A 1 12.638 -13.686 -2.256 1.00 0.00 C ATOM 7 CG2 VAL A 1 11.166 -12.258 -0.840 1.00 0.00 C ATOM 0 H1 VAL A 1 10.309 -13.125 -4.703 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.119 -11.806 -5.402 1.00 0.00 H new ATOM 0 H3 VAL A 1 12.006 -13.104 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 1 10.244 -11.334 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 1 10.516 -13.604 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 1 12.655 -14.398 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 1 12.717 -14.224 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 1 13.478 -12.998 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 1 11.269 -13.024 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 1 11.934 -11.498 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 1 10.181 -11.797 -0.763 1.00 0.00 H new ATOM 19 N ASP A 2 13.398 -11.035 -3.991 1.00 0.00 N ATOM 20 CA ASP A 2 14.654 -10.288 -4.050 1.00 0.00 C ATOM 21 C ASP A 2 14.449 -8.904 -4.667 1.00 0.00 C ATOM 22 O ASP A 2 14.917 -8.585 -5.760 1.00 0.00 O ATOM 23 CB ASP A 2 15.687 -11.095 -4.856 1.00 0.00 C ATOM 24 CG ASP A 2 15.711 -12.570 -4.486 1.00 0.00 C ATOM 25 OD1 ASP A 2 14.679 -13.218 -4.782 1.00 0.00 O ATOM 26 OD2 ASP A 2 16.724 -13.005 -3.902 1.00 0.00 O ATOM 0 H ASP A 2 13.454 -11.871 -4.572 1.00 0.00 H new ATOM 0 HA ASP A 2 15.022 -10.139 -3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.467 -10.997 -5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.678 -10.670 -4.695 1.00 0.00 H new ATOM 31 N ALA A 3 13.707 -8.081 -3.943 1.00 0.00 N ATOM 32 CA ALA A 3 13.114 -6.850 -4.403 1.00 0.00 C ATOM 33 C ALA A 3 12.473 -6.226 -3.173 1.00 0.00 C ATOM 34 O ALA A 3 12.904 -5.156 -2.735 1.00 0.00 O ATOM 35 CB ALA A 3 12.074 -7.143 -5.496 1.00 0.00 C ATOM 0 H ALA A 3 13.495 -8.272 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 3 13.845 -6.175 -4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.631 -6.207 -5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.559 -7.642 -6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.293 -7.787 -5.092 1.00 0.00 H new ATOM 41 N PHE A 4 11.506 -6.937 -2.585 1.00 0.00 N ATOM 42 CA PHE A 4 10.587 -6.476 -1.549 1.00 0.00 C ATOM 43 C PHE A 4 11.260 -6.470 -0.170 1.00 0.00 C ATOM 44 O PHE A 4 10.730 -6.999 0.804 1.00 0.00 O ATOM 45 CB PHE A 4 9.354 -7.395 -1.576 1.00 0.00 C ATOM 46 CG PHE A 4 8.761 -7.644 -2.958 1.00 0.00 C ATOM 47 CD1 PHE A 4 8.596 -6.586 -3.875 1.00 0.00 C ATOM 48 CD2 PHE A 4 8.467 -8.960 -3.363 1.00 0.00 C ATOM 49 CE1 PHE A 4 8.202 -6.853 -5.198 1.00 0.00 C ATOM 50 CE2 PHE A 4 8.079 -9.225 -4.687 1.00 0.00 C ATOM 51 CZ PHE A 4 7.958 -8.173 -5.610 1.00 0.00 C ATOM 0 H PHE A 4 11.337 -7.910 -2.838 1.00 0.00 H new ATOM 0 HA PHE A 4 10.285 -5.447 -1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.626 -8.355 -1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.583 -6.961 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.773 -5.568 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.540 -9.770 -2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.087 -6.040 -5.900 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.873 -10.239 -4.996 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.678 -8.379 -6.633 1.00 0.00 H new ATOM 61 N VAL A 5 12.456 -5.887 -0.118 1.00 0.00 N ATOM 62 CA VAL A 5 13.337 -5.818 1.028 1.00 0.00 C ATOM 63 C VAL A 5 13.999 -4.438 0.987 1.00 0.00 C ATOM 64 O VAL A 5 15.132 -4.324 0.514 1.00 0.00 O ATOM 65 CB VAL A 5 14.366 -6.969 0.947 1.00 0.00 C ATOM 66 CG1 VAL A 5 15.273 -7.002 2.187 1.00 0.00 C ATOM 67 CG2 VAL A 5 13.674 -8.333 0.810 1.00 0.00 C ATOM 0 H VAL A 5 12.854 -5.422 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 5 12.806 -5.936 1.973 1.00 0.00 H new ATOM 0 HB VAL A 5 14.971 -6.779 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.984 -7.823 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.815 -6.060 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.664 -7.146 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.427 -9.119 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.033 -8.504 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.071 -8.345 -0.098 1.00 0.00 H new ATOM 77 N GLY A 6 13.287 -3.387 1.404 1.00 0.00 N ATOM 78 CA GLY A 6 13.860 -2.066 1.647 1.00 0.00 C ATOM 79 C GLY A 6 13.073 -0.938 0.978 1.00 0.00 C ATOM 80 O GLY A 6 11.899 -1.091 0.636 1.00 0.00 O ATOM 0 H GLY A 6 12.284 -3.433 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.900 -1.886 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.887 -2.050 1.283 1.00 0.00 H new ATOM 84 N THR A 7 13.734 0.211 0.808 1.00 0.00 N ATOM 85 CA THR A 7 13.115 1.443 0.342 1.00 0.00 C ATOM 86 C THR A 7 13.111 1.533 -1.184 1.00 0.00 C ATOM 87 O THR A 7 14.114 1.227 -1.837 1.00 0.00 O ATOM 88 CB THR A 7 13.818 2.655 0.971 1.00 0.00 C ATOM 89 OG1 THR A 7 14.099 2.409 2.334 1.00 0.00 O ATOM 90 CG2 THR A 7 12.946 3.911 0.879 1.00 0.00 C ATOM 0 H THR A 7 14.732 0.307 0.995 1.00 0.00 H new ATOM 0 HA THR A 7 12.072 1.441 0.660 1.00 0.00 H new ATOM 0 HB THR A 7 14.744 2.815 0.418 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.924 1.886 2.409 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.470 4.752 1.333 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.739 4.134 -0.168 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.007 3.742 1.407 1.00 0.00 H new ATOM 98 N TRP A 8 11.997 2.004 -1.742 1.00 0.00 N ATOM 99 CA TRP A 8 11.858 2.389 -3.133 1.00 0.00 C ATOM 100 C TRP A 8 11.497 3.867 -3.207 1.00 0.00 C ATOM 101 O TRP A 8 10.941 4.412 -2.249 1.00 0.00 O ATOM 102 CB TRP A 8 10.746 1.571 -3.786 1.00 0.00 C ATOM 103 CG TRP A 8 10.901 0.088 -3.725 1.00 0.00 C ATOM 104 CD1 TRP A 8 10.652 -0.686 -2.646 1.00 0.00 C ATOM 105 CD2 TRP A 8 11.349 -0.815 -4.776 1.00 0.00 C ATOM 106 NE1 TRP A 8 10.911 -2.003 -2.956 1.00 0.00 N ATOM 107 CE2 TRP A 8 11.350 -2.138 -4.255 1.00 0.00 C ATOM 108 CE3 TRP A 8 11.739 -0.654 -6.122 1.00 0.00 C ATOM 109 CZ2 TRP A 8 11.731 -3.240 -5.028 1.00 0.00 C ATOM 110 CZ3 TRP A 8 12.209 -1.743 -6.877 1.00 0.00 C ATOM 111 CH2 TRP A 8 12.218 -3.035 -6.324 1.00 0.00 C ATOM 0 H TRP A 8 11.136 2.130 -1.210 1.00 0.00 H new ATOM 0 HA TRP A 8 12.797 2.206 -3.655 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.801 1.837 -3.313 1.00 0.00 H new ATOM 0 HB3 TRP A 8 10.672 1.866 -4.833 1.00 0.00 H new ATOM 0 HD1 TRP A 8 10.304 -0.328 -1.689 1.00 0.00 H new ATOM 0 HE1 TRP A 8 10.793 -2.780 -2.306 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.676 0.322 -6.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 11.650 -4.240 -4.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 12.564 -1.586 -7.885 1.00 0.00 H new ATOM 0 HH2 TRP A 8 12.599 -3.867 -6.897 1.00 0.00 H new ATOM 122 N LYS A 9 11.760 4.492 -4.357 1.00 0.00 N ATOM 123 CA LYS A 9 11.258 5.821 -4.662 1.00 0.00 C ATOM 124 C LYS A 9 10.630 5.855 -6.064 1.00 0.00 C ATOM 125 O LYS A 9 10.952 5.019 -6.905 1.00 0.00 O ATOM 126 CB LYS A 9 12.339 6.885 -4.394 1.00 0.00 C ATOM 127 CG LYS A 9 13.580 6.857 -5.307 1.00 0.00 C ATOM 128 CD LYS A 9 13.176 7.226 -6.737 1.00 0.00 C ATOM 129 CE LYS A 9 14.162 8.062 -7.547 1.00 0.00 C ATOM 130 NZ LYS A 9 13.613 8.271 -8.902 1.00 0.00 N ATOM 0 H LYS A 9 12.328 4.085 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 9 10.442 6.079 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.877 7.868 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.673 6.778 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 9 14.330 7.557 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.033 5.866 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.988 6.302 -7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.231 7.768 -6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.334 9.021 -7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.126 7.557 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.030 9.129 -9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.842 7.451 -9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.580 8.381 -8.845 1.00 0.00 H new ATOM 144 N LEU A 10 9.718 6.800 -6.304 1.00 0.00 N ATOM 145 CA LEU A 10 8.979 6.972 -7.555 1.00 0.00 C ATOM 146 C LEU A 10 9.919 7.397 -8.699 1.00 0.00 C ATOM 147 O LEU A 10 10.867 8.161 -8.485 1.00 0.00 O ATOM 148 CB LEU A 10 7.890 8.031 -7.289 1.00 0.00 C ATOM 149 CG LEU A 10 6.638 8.022 -8.185 1.00 0.00 C ATOM 150 CD1 LEU A 10 5.671 9.114 -7.701 1.00 0.00 C ATOM 151 CD2 LEU A 10 6.933 8.268 -9.669 1.00 0.00 C ATOM 0 H LEU A 10 9.464 7.495 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 10 8.524 6.033 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.562 7.920 -6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.353 9.014 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 10 6.209 7.023 -8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.780 9.116 -8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.386 8.916 -6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.160 10.086 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.001 8.247 -10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.408 9.242 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.601 7.491 -10.041 1.00 0.00 H new ATOM 163 N VAL A 11 9.660 6.945 -9.931 1.00 0.00 N ATOM 164 CA VAL A 11 10.271 7.536 -11.120 1.00 0.00 C ATOM 165 C VAL A 11 9.233 7.920 -12.176 1.00 0.00 C ATOM 166 O VAL A 11 9.177 9.088 -12.556 1.00 0.00 O ATOM 167 CB VAL A 11 11.410 6.652 -11.641 1.00 0.00 C ATOM 168 CG1 VAL A 11 10.986 5.208 -11.934 1.00 0.00 C ATOM 169 CG2 VAL A 11 12.094 7.270 -12.867 1.00 0.00 C ATOM 0 H VAL A 11 9.028 6.169 -10.128 1.00 0.00 H new ATOM 0 HA VAL A 11 10.730 8.484 -10.839 1.00 0.00 H new ATOM 0 HB VAL A 11 12.130 6.605 -10.824 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.844 4.644 -12.299 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.610 4.747 -11.021 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.202 5.206 -12.691 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.895 6.614 -13.206 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.364 7.394 -13.667 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.509 8.242 -12.601 1.00 0.00 H new ATOM 179 N ASP A 12 8.402 6.976 -12.628 1.00 0.00 N ATOM 180 CA ASP A 12 7.441 7.212 -13.701 1.00 0.00 C ATOM 181 C ASP A 12 6.041 7.013 -13.117 1.00 0.00 C ATOM 182 O ASP A 12 5.843 6.113 -12.305 1.00 0.00 O ATOM 183 CB ASP A 12 7.666 6.264 -14.901 1.00 0.00 C ATOM 184 CG ASP A 12 9.122 5.914 -15.215 1.00 0.00 C ATOM 185 OD1 ASP A 12 9.872 6.786 -15.694 1.00 0.00 O ATOM 186 OD2 ASP A 12 9.510 4.746 -14.984 1.00 0.00 O ATOM 0 H ASP A 12 8.379 6.026 -12.257 1.00 0.00 H new ATOM 0 HA ASP A 12 7.565 8.226 -14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.123 5.338 -14.714 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.223 6.720 -15.787 1.00 0.00 H new ATOM 191 N SER A 13 5.056 7.820 -13.515 1.00 0.00 N ATOM 192 CA SER A 13 3.649 7.580 -13.225 1.00 0.00 C ATOM 193 C SER A 13 2.834 8.533 -14.093 1.00 0.00 C ATOM 194 O SER A 13 3.336 9.592 -14.463 1.00 0.00 O ATOM 195 CB SER A 13 3.323 7.793 -11.737 1.00 0.00 C ATOM 196 OG SER A 13 2.025 7.297 -11.444 1.00 0.00 O ATOM 0 H SER A 13 5.220 8.670 -14.055 1.00 0.00 H new ATOM 0 HA SER A 13 3.403 6.542 -13.448 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.063 7.285 -11.119 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.379 8.854 -11.493 1.00 0.00 H new ATOM 0 HG SER A 13 1.908 6.419 -11.863 1.00 0.00 H new ATOM 202 N LYS A 14 1.601 8.144 -14.420 1.00 0.00 N ATOM 203 CA LYS A 14 0.645 8.925 -15.188 1.00 0.00 C ATOM 204 C LYS A 14 -0.681 8.169 -15.175 1.00 0.00 C ATOM 205 O LYS A 14 -0.695 6.972 -14.868 1.00 0.00 O ATOM 206 CB LYS A 14 1.144 9.171 -16.621 1.00 0.00 C ATOM 207 CG LYS A 14 1.499 7.878 -17.369 1.00 0.00 C ATOM 208 CD LYS A 14 2.176 8.224 -18.700 1.00 0.00 C ATOM 209 CE LYS A 14 2.443 6.949 -19.511 1.00 0.00 C ATOM 210 NZ LYS A 14 3.220 7.225 -20.738 1.00 0.00 N ATOM 0 H LYS A 14 1.230 7.235 -14.142 1.00 0.00 H new ATOM 0 HA LYS A 14 0.517 9.911 -14.741 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.376 9.707 -17.179 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.022 9.816 -16.587 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.163 7.264 -16.760 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.598 7.291 -17.549 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.542 8.901 -19.273 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.114 8.747 -18.513 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.984 6.233 -18.893 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.494 6.485 -19.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.378 6.337 -21.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.693 7.888 -21.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.137 7.644 -20.482 1.00 0.00 H new ATOM 224 N ASN A 15 -1.785 8.872 -15.438 1.00 0.00 N ATOM 225 CA ASN A 15 -3.150 8.355 -15.461 1.00 0.00 C ATOM 226 C ASN A 15 -3.654 8.044 -14.054 1.00 0.00 C ATOM 227 O ASN A 15 -4.811 7.673 -13.899 1.00 0.00 O ATOM 228 CB ASN A 15 -3.326 7.146 -16.394 1.00 0.00 C ATOM 229 CG ASN A 15 -2.965 7.458 -17.840 1.00 0.00 C ATOM 230 OD1 ASN A 15 -1.852 7.186 -18.282 1.00 0.00 O ATOM 231 ND2 ASN A 15 -3.903 8.023 -18.595 1.00 0.00 N ATOM 0 H ASN A 15 -1.746 9.869 -15.651 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.765 9.153 -15.876 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.704 6.325 -16.038 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.360 6.805 -16.348 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.708 8.243 -19.572 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.818 8.236 -18.197 1.00 0.00 H new ATOM 238 N PHE A 16 -2.815 8.171 -13.015 1.00 0.00 N ATOM 239 CA PHE A 16 -3.264 7.981 -11.639 1.00 0.00 C ATOM 240 C PHE A 16 -4.219 9.117 -11.292 1.00 0.00 C ATOM 241 O PHE A 16 -5.243 8.923 -10.645 1.00 0.00 O ATOM 242 CB PHE A 16 -2.077 7.943 -10.656 1.00 0.00 C ATOM 243 CG PHE A 16 -2.167 6.896 -9.552 1.00 0.00 C ATOM 244 CD1 PHE A 16 -3.412 6.457 -9.058 1.00 0.00 C ATOM 245 CD2 PHE A 16 -0.985 6.377 -8.993 1.00 0.00 C ATOM 246 CE1 PHE A 16 -3.476 5.506 -8.027 1.00 0.00 C ATOM 247 CE2 PHE A 16 -1.051 5.411 -7.972 1.00 0.00 C ATOM 248 CZ PHE A 16 -2.295 4.979 -7.486 1.00 0.00 C ATOM 0 H PHE A 16 -1.826 8.404 -13.107 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.773 7.021 -11.552 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.164 7.767 -11.224 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.981 8.925 -10.193 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.325 6.856 -9.476 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.025 6.721 -9.348 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.435 5.181 -7.651 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.141 5.000 -7.561 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.342 4.243 -6.697 1.00 0.00 H new ATOM 258 N ASP A 17 -3.842 10.314 -11.729 1.00 0.00 N ATOM 259 CA ASP A 17 -4.688 11.476 -11.908 1.00 0.00 C ATOM 260 C ASP A 17 -6.103 11.090 -12.375 1.00 0.00 C ATOM 261 O ASP A 17 -7.057 11.244 -11.609 1.00 0.00 O ATOM 262 CB ASP A 17 -3.971 12.404 -12.898 1.00 0.00 C ATOM 263 CG ASP A 17 -3.406 11.614 -14.074 1.00 0.00 C ATOM 264 OD1 ASP A 17 -2.319 11.019 -13.877 1.00 0.00 O ATOM 265 OD2 ASP A 17 -4.151 11.452 -15.059 1.00 0.00 O ATOM 0 H ASP A 17 -2.873 10.505 -11.983 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.840 11.991 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.667 13.160 -13.263 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.165 12.932 -12.389 1.00 0.00 H new ATOM 270 N ASP A 18 -6.279 10.598 -13.602 1.00 0.00 N ATOM 271 CA ASP A 18 -7.604 10.173 -14.037 1.00 0.00 C ATOM 272 C ASP A 18 -8.184 9.104 -13.112 1.00 0.00 C ATOM 273 O ASP A 18 -9.319 9.226 -12.652 1.00 0.00 O ATOM 274 CB ASP A 18 -7.603 9.678 -15.479 1.00 0.00 C ATOM 275 CG ASP A 18 -9.037 9.313 -15.834 1.00 0.00 C ATOM 276 OD1 ASP A 18 -9.836 10.267 -15.960 1.00 0.00 O ATOM 277 OD2 ASP A 18 -9.317 8.097 -15.885 1.00 0.00 O ATOM 0 H ASP A 18 -5.539 10.487 -14.295 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.242 11.055 -13.986 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.226 10.450 -16.150 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.948 8.813 -15.588 1.00 0.00 H new ATOM 282 N TYR A 19 -7.388 8.080 -12.797 1.00 0.00 N ATOM 283 CA TYR A 19 -7.799 6.972 -11.945 1.00 0.00 C ATOM 284 C TYR A 19 -8.524 7.473 -10.697 1.00 0.00 C ATOM 285 O TYR A 19 -9.636 7.039 -10.424 1.00 0.00 O ATOM 286 CB TYR A 19 -6.589 6.115 -11.560 1.00 0.00 C ATOM 287 CG TYR A 19 -6.834 4.626 -11.509 1.00 0.00 C ATOM 288 CD1 TYR A 19 -6.515 3.853 -12.639 1.00 0.00 C ATOM 289 CD2 TYR A 19 -7.115 3.994 -10.284 1.00 0.00 C ATOM 290 CE1 TYR A 19 -6.355 2.468 -12.509 1.00 0.00 C ATOM 291 CE2 TYR A 19 -6.998 2.598 -10.170 1.00 0.00 C ATOM 292 CZ TYR A 19 -6.555 1.849 -11.272 1.00 0.00 C ATOM 293 OH TYR A 19 -6.195 0.550 -11.140 1.00 0.00 O ATOM 0 H TYR A 19 -6.428 8.000 -13.133 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.497 6.354 -12.510 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.787 6.309 -12.273 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.232 6.440 -10.583 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.394 4.325 -13.603 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.421 4.582 -9.431 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.076 1.876 -13.368 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.247 2.105 -9.242 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.742 0.128 -10.445 1.00 0.00 H new ATOM 303 N MET A 20 -7.925 8.405 -9.946 1.00 0.00 N ATOM 304 CA MET A 20 -8.541 8.925 -8.732 1.00 0.00 C ATOM 305 C MET A 20 -9.860 9.653 -9.008 1.00 0.00 C ATOM 306 O MET A 20 -10.740 9.680 -8.145 1.00 0.00 O ATOM 307 CB MET A 20 -7.558 9.771 -7.904 1.00 0.00 C ATOM 308 CG MET A 20 -6.900 11.000 -8.559 1.00 0.00 C ATOM 309 SD MET A 20 -7.959 12.404 -9.027 1.00 0.00 S ATOM 310 CE MET A 20 -6.770 13.623 -9.659 1.00 0.00 C ATOM 0 H MET A 20 -7.015 8.811 -10.163 1.00 0.00 H new ATOM 0 HA MET A 20 -8.800 8.062 -8.118 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.087 10.115 -7.015 1.00 0.00 H new ATOM 0 HB3 MET A 20 -6.760 9.111 -7.565 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.138 11.373 -7.874 1.00 0.00 H new ATOM 0 HG3 MET A 20 -6.383 10.661 -9.457 1.00 0.00 H new ATOM 0 HE1 MET A 20 -7.123 14.628 -9.429 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.800 13.462 -9.189 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.673 13.511 -10.739 1.00 0.00 H new ATOM 320 N LYS A 21 -9.968 10.282 -10.183 1.00 0.00 N ATOM 321 CA LYS A 21 -11.176 10.951 -10.636 1.00 0.00 C ATOM 322 C LYS A 21 -12.254 9.873 -10.804 1.00 0.00 C ATOM 323 O LYS A 21 -13.250 9.857 -10.084 1.00 0.00 O ATOM 324 CB LYS A 21 -10.869 11.718 -11.945 1.00 0.00 C ATOM 325 CG LYS A 21 -11.784 12.924 -12.201 1.00 0.00 C ATOM 326 CD LYS A 21 -11.844 13.299 -13.696 1.00 0.00 C ATOM 327 CE LYS A 21 -10.493 13.441 -14.423 1.00 0.00 C ATOM 328 NZ LYS A 21 -9.644 14.516 -13.875 1.00 0.00 N ATOM 0 H LYS A 21 -9.200 10.337 -10.852 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.538 11.691 -9.923 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.835 12.061 -11.917 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.953 11.028 -12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.789 12.699 -11.844 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.426 13.779 -11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.433 12.542 -14.214 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.383 14.242 -13.790 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.954 12.495 -14.361 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.676 13.635 -15.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.752 14.559 -14.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.140 15.426 -13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.441 14.322 -12.874 1.00 0.00 H new ATOM 342 N SER A 22 -12.003 8.937 -11.722 1.00 0.00 N ATOM 343 CA SER A 22 -12.906 7.847 -12.077 1.00 0.00 C ATOM 344 C SER A 22 -13.316 7.027 -10.847 1.00 0.00 C ATOM 345 O SER A 22 -14.486 6.708 -10.658 1.00 0.00 O ATOM 346 CB SER A 22 -12.215 6.964 -13.127 1.00 0.00 C ATOM 347 OG SER A 22 -13.013 5.838 -13.446 1.00 0.00 O ATOM 0 H SER A 22 -11.134 8.919 -12.256 1.00 0.00 H new ATOM 0 HA SER A 22 -13.825 8.262 -12.491 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.024 7.546 -14.028 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.247 6.634 -12.750 1.00 0.00 H new ATOM 0 HG SER A 22 -12.452 5.144 -13.851 1.00 0.00 H new ATOM 353 N LEU A 23 -12.338 6.668 -10.015 1.00 0.00 N ATOM 354 CA LEU A 23 -12.498 5.754 -8.893 1.00 0.00 C ATOM 355 C LEU A 23 -13.319 6.371 -7.754 1.00 0.00 C ATOM 356 O LEU A 23 -13.683 5.659 -6.815 1.00 0.00 O ATOM 357 CB LEU A 23 -11.096 5.309 -8.439 1.00 0.00 C ATOM 358 CG LEU A 23 -11.042 4.195 -7.380 1.00 0.00 C ATOM 359 CD1 LEU A 23 -11.760 2.934 -7.866 1.00 0.00 C ATOM 360 CD2 LEU A 23 -9.579 3.851 -7.079 1.00 0.00 C ATOM 0 H LEU A 23 -11.385 7.018 -10.110 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.070 4.881 -9.208 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.543 4.973 -9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.572 6.180 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.542 4.555 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.705 2.164 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.805 3.167 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.282 2.571 -8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.538 3.062 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.090 3.510 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.067 4.737 -6.702 1.00 0.00 H new ATOM 372 N GLY A 24 -13.616 7.676 -7.807 1.00 0.00 N ATOM 373 CA GLY A 24 -14.417 8.333 -6.787 1.00 0.00 C ATOM 374 C GLY A 24 -13.670 8.352 -5.457 1.00 0.00 C ATOM 375 O GLY A 24 -14.202 7.920 -4.431 1.00 0.00 O ATOM 0 H GLY A 24 -13.306 8.295 -8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.648 9.352 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.368 7.813 -6.670 1.00 0.00 H new ATOM 379 N VAL A 25 -12.423 8.829 -5.500 1.00 0.00 N ATOM 380 CA VAL A 25 -11.574 9.046 -4.330 1.00 0.00 C ATOM 381 C VAL A 25 -10.926 10.432 -4.409 1.00 0.00 C ATOM 382 O VAL A 25 -10.804 11.126 -3.401 1.00 0.00 O ATOM 383 CB VAL A 25 -10.528 7.919 -4.181 1.00 0.00 C ATOM 384 CG1 VAL A 25 -11.213 6.558 -4.035 1.00 0.00 C ATOM 385 CG2 VAL A 25 -9.536 7.830 -5.345 1.00 0.00 C ATOM 0 H VAL A 25 -11.965 9.081 -6.376 1.00 0.00 H new ATOM 0 HA VAL A 25 -12.191 9.014 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.965 8.176 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.457 5.779 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.851 6.565 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.820 6.359 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.835 7.015 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.078 7.644 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.987 8.768 -5.428 1.00 0.00 H new ATOM 395 N GLY A 26 -10.486 10.814 -5.611 1.00 0.00 N ATOM 396 CA GLY A 26 -9.693 11.996 -5.891 1.00 0.00 C ATOM 397 C GLY A 26 -10.198 13.245 -5.192 1.00 0.00 C ATOM 398 O GLY A 26 -9.479 13.818 -4.369 1.00 0.00 O ATOM 0 H GLY A 26 -10.688 10.274 -6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.662 11.812 -5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.683 12.170 -6.967 1.00 0.00 H new ATOM 402 N PHE A 27 -11.412 13.652 -5.575 1.00 0.00 N ATOM 403 CA PHE A 27 -12.087 14.871 -5.153 1.00 0.00 C ATOM 404 C PHE A 27 -11.084 16.017 -4.986 1.00 0.00 C ATOM 405 O PHE A 27 -10.350 16.308 -5.928 1.00 0.00 O ATOM 406 CB PHE A 27 -12.959 14.561 -3.927 1.00 0.00 C ATOM 407 CG PHE A 27 -13.881 13.369 -4.130 1.00 0.00 C ATOM 408 CD1 PHE A 27 -14.824 13.375 -5.176 1.00 0.00 C ATOM 409 CD2 PHE A 27 -13.748 12.223 -3.324 1.00 0.00 C ATOM 410 CE1 PHE A 27 -15.610 12.238 -5.427 1.00 0.00 C ATOM 411 CE2 PHE A 27 -14.548 11.093 -3.564 1.00 0.00 C ATOM 412 CZ PHE A 27 -15.474 11.097 -4.619 1.00 0.00 C ATOM 0 H PHE A 27 -11.977 13.105 -6.224 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.771 15.233 -5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -12.313 14.370 -3.070 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -13.559 15.438 -3.685 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.943 14.257 -5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.029 12.212 -2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -16.319 12.241 -6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -14.450 10.220 -2.936 1.00 0.00 H new ATOM 0 HZ PHE A 27 -16.081 10.224 -4.809 1.00 0.00 H new ATOM 422 N ALA A 28 -11.008 16.626 -3.800 1.00 0.00 N ATOM 423 CA ALA A 28 -9.967 17.580 -3.444 1.00 0.00 C ATOM 424 C ALA A 28 -9.130 16.985 -2.310 1.00 0.00 C ATOM 425 O ALA A 28 -8.912 17.623 -1.282 1.00 0.00 O ATOM 426 CB ALA A 28 -10.614 18.912 -3.054 1.00 0.00 C ATOM 0 H ALA A 28 -11.681 16.464 -3.051 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.305 17.775 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.838 19.629 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.190 19.297 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.276 18.759 -2.202 1.00 0.00 H new ATOM 432 N THR A 29 -8.698 15.728 -2.462 1.00 0.00 N ATOM 433 CA THR A 29 -7.962 15.026 -1.419 1.00 0.00 C ATOM 434 C THR A 29 -7.018 13.986 -2.025 1.00 0.00 C ATOM 435 O THR A 29 -5.806 14.202 -2.064 1.00 0.00 O ATOM 436 CB THR A 29 -8.943 14.427 -0.395 1.00 0.00 C ATOM 437 OG1 THR A 29 -9.899 15.387 -0.004 1.00 0.00 O ATOM 438 CG2 THR A 29 -8.216 13.959 0.866 1.00 0.00 C ATOM 0 H THR A 29 -8.850 15.177 -3.307 1.00 0.00 H new ATOM 0 HA THR A 29 -7.330 15.733 -0.881 1.00 0.00 H new ATOM 0 HB THR A 29 -9.426 13.579 -0.880 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.515 14.989 0.646 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.938 13.541 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.484 13.196 0.602 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.708 14.805 1.328 1.00 0.00 H new ATOM 446 N ARG A 30 -7.540 12.863 -2.533 1.00 0.00 N ATOM 447 CA ARG A 30 -6.676 11.835 -3.102 1.00 0.00 C ATOM 448 C ARG A 30 -6.068 12.315 -4.419 1.00 0.00 C ATOM 449 O ARG A 30 -5.087 11.737 -4.874 1.00 0.00 O ATOM 450 CB ARG A 30 -7.367 10.470 -3.231 1.00 0.00 C ATOM 451 CG ARG A 30 -7.555 9.749 -1.887 1.00 0.00 C ATOM 452 CD ARG A 30 -8.814 10.195 -1.136 1.00 0.00 C ATOM 453 NE ARG A 30 -8.869 9.643 0.224 1.00 0.00 N ATOM 454 CZ ARG A 30 -9.868 9.850 1.094 1.00 0.00 C ATOM 455 NH1 ARG A 30 -10.927 10.587 0.740 1.00 0.00 N ATOM 456 NH2 ARG A 30 -9.782 9.312 2.312 1.00 0.00 N ATOM 0 H ARG A 30 -8.537 12.650 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.860 11.670 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.341 10.608 -3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.780 9.836 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.605 8.674 -2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.682 9.929 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.840 11.284 -1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.698 9.880 -1.691 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.090 9.059 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.976 10.993 -0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.685 10.742 1.404 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.967 8.755 2.567 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.532 9.458 2.988 1.00 0.00 H new ATOM 470 N GLN A 31 -6.594 13.397 -5.007 1.00 0.00 N ATOM 471 CA GLN A 31 -5.895 14.087 -6.081 1.00 0.00 C ATOM 472 C GLN A 31 -4.481 14.500 -5.652 1.00 0.00 C ATOM 473 O GLN A 31 -3.537 14.344 -6.425 1.00 0.00 O ATOM 474 CB GLN A 31 -6.758 15.222 -6.656 1.00 0.00 C ATOM 475 CG GLN A 31 -6.964 16.444 -5.747 1.00 0.00 C ATOM 476 CD GLN A 31 -5.884 17.513 -5.904 1.00 0.00 C ATOM 477 OE1 GLN A 31 -4.847 17.286 -6.517 1.00 0.00 O ATOM 478 NE2 GLN A 31 -6.119 18.700 -5.355 1.00 0.00 N ATOM 0 H GLN A 31 -7.494 13.805 -4.755 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.740 13.399 -6.912 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.303 15.560 -7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.737 14.814 -6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.936 16.887 -5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.988 16.114 -4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.990 18.865 -4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.429 19.446 -5.439 1.00 0.00 H new ATOM 487 N VAL A 32 -4.319 14.958 -4.405 1.00 0.00 N ATOM 488 CA VAL A 32 -2.999 15.168 -3.829 1.00 0.00 C ATOM 489 C VAL A 32 -2.447 13.800 -3.431 1.00 0.00 C ATOM 490 O VAL A 32 -1.368 13.404 -3.872 1.00 0.00 O ATOM 491 CB VAL A 32 -3.076 16.130 -2.626 1.00 0.00 C ATOM 492 CG1 VAL A 32 -1.730 16.204 -1.902 1.00 0.00 C ATOM 493 CG2 VAL A 32 -3.464 17.546 -3.061 1.00 0.00 C ATOM 0 H VAL A 32 -5.091 15.189 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.331 15.635 -4.553 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.841 15.735 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.808 16.888 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.456 15.213 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.966 16.564 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.508 18.196 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.720 17.928 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.440 17.523 -3.546 1.00 0.00 H new ATOM 503 N GLY A 33 -3.205 13.080 -2.595 1.00 0.00 N ATOM 504 CA GLY A 33 -2.810 11.819 -1.980 1.00 0.00 C ATOM 505 C GLY A 33 -2.066 10.876 -2.927 1.00 0.00 C ATOM 506 O GLY A 33 -1.013 10.354 -2.578 1.00 0.00 O ATOM 0 H GLY A 33 -4.143 13.375 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.176 12.029 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.700 11.314 -1.605 1.00 0.00 H new ATOM 510 N ASN A 34 -2.610 10.639 -4.122 1.00 0.00 N ATOM 511 CA ASN A 34 -2.065 9.651 -5.045 1.00 0.00 C ATOM 512 C ASN A 34 -0.860 10.161 -5.840 1.00 0.00 C ATOM 513 O ASN A 34 -0.122 9.352 -6.408 1.00 0.00 O ATOM 514 CB ASN A 34 -3.161 9.058 -5.936 1.00 0.00 C ATOM 515 CG ASN A 34 -3.563 9.940 -7.112 1.00 0.00 C ATOM 516 OD1 ASN A 34 -3.273 11.129 -7.174 1.00 0.00 O ATOM 517 ND2 ASN A 34 -4.235 9.335 -8.079 1.00 0.00 N ATOM 0 H ASN A 34 -3.436 11.125 -4.472 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.671 8.838 -4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.820 8.096 -6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.043 8.863 -5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.526 9.860 -8.904 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.462 8.344 -7.999 1.00 0.00 H new ATOM 524 N MET A 35 -0.614 11.477 -5.860 1.00 0.00 N ATOM 525 CA MET A 35 0.673 12.008 -6.287 1.00 0.00 C ATOM 526 C MET A 35 1.647 11.850 -5.120 1.00 0.00 C ATOM 527 O MET A 35 2.686 11.194 -5.252 1.00 0.00 O ATOM 528 CB MET A 35 0.562 13.491 -6.685 1.00 0.00 C ATOM 529 CG MET A 35 0.049 13.742 -8.108 1.00 0.00 C ATOM 530 SD MET A 35 -1.671 13.286 -8.450 1.00 0.00 S ATOM 531 CE MET A 35 -1.407 11.773 -9.413 1.00 0.00 C ATOM 0 H MET A 35 -1.292 12.187 -5.585 1.00 0.00 H new ATOM 0 HA MET A 35 1.023 11.464 -7.164 1.00 0.00 H new ATOM 0 HB2 MET A 35 -0.103 13.992 -5.981 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.543 13.954 -6.581 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.170 14.802 -8.330 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.689 13.196 -8.801 1.00 0.00 H new ATOM 0 HE1 MET A 35 -2.371 11.347 -9.693 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.840 12.009 -10.313 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.852 11.052 -8.813 1.00 0.00 H new ATOM 541 N THR A 36 1.304 12.467 -3.987 1.00 0.00 N ATOM 542 CA THR A 36 2.234 12.705 -2.897 1.00 0.00 C ATOM 543 C THR A 36 2.569 11.403 -2.157 1.00 0.00 C ATOM 544 O THR A 36 1.998 11.061 -1.127 1.00 0.00 O ATOM 545 CB THR A 36 1.775 13.905 -2.041 1.00 0.00 C ATOM 546 OG1 THR A 36 2.881 14.525 -1.433 1.00 0.00 O ATOM 547 CG2 THR A 36 0.744 13.621 -0.952 1.00 0.00 C ATOM 0 H THR A 36 0.363 12.816 -3.805 1.00 0.00 H new ATOM 0 HA THR A 36 3.203 13.022 -3.283 1.00 0.00 H new ATOM 0 HB THR A 36 1.274 14.546 -2.767 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.271 13.919 -0.769 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.507 14.545 -0.425 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.162 13.219 -1.405 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.150 12.895 -0.247 1.00 0.00 H new ATOM 555 N LYS A 37 3.527 10.669 -2.722 1.00 0.00 N ATOM 556 CA LYS A 37 4.320 9.650 -2.058 1.00 0.00 C ATOM 557 C LYS A 37 5.507 9.321 -2.962 1.00 0.00 C ATOM 558 O LYS A 37 5.412 8.397 -3.772 1.00 0.00 O ATOM 559 CB LYS A 37 3.495 8.418 -1.645 1.00 0.00 C ATOM 560 CG LYS A 37 2.642 7.789 -2.760 1.00 0.00 C ATOM 561 CD LYS A 37 1.129 7.951 -2.546 1.00 0.00 C ATOM 562 CE LYS A 37 0.299 6.846 -3.225 1.00 0.00 C ATOM 563 NZ LYS A 37 0.351 5.549 -2.513 1.00 0.00 N ATOM 0 H LYS A 37 3.779 10.779 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 37 4.692 10.032 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.176 7.659 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.837 8.702 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.916 8.241 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.878 6.727 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.918 7.950 -1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.816 8.921 -2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.739 7.172 -3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.658 6.707 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.043 4.789 -3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.325 5.364 -2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.279 5.582 -1.686 1.00 0.00 H new ATOM 577 N PRO A 38 6.599 10.099 -2.898 1.00 0.00 N ATOM 578 CA PRO A 38 7.796 9.790 -3.650 1.00 0.00 C ATOM 579 C PRO A 38 8.398 8.503 -3.092 1.00 0.00 C ATOM 580 O PRO A 38 8.706 7.595 -3.856 1.00 0.00 O ATOM 581 CB PRO A 38 8.717 11.003 -3.498 1.00 0.00 C ATOM 582 CG PRO A 38 8.274 11.649 -2.186 1.00 0.00 C ATOM 583 CD PRO A 38 6.789 11.291 -2.085 1.00 0.00 C ATOM 0 HA PRO A 38 7.614 9.615 -4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.765 10.705 -3.461 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.611 11.691 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.838 11.260 -1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.425 12.728 -2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.504 11.105 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.166 12.110 -2.445 1.00 0.00 H new ATOM 591 N THR A 39 8.544 8.420 -1.769 1.00 0.00 N ATOM 592 CA THR A 39 9.163 7.312 -1.064 1.00 0.00 C ATOM 593 C THR A 39 8.135 6.222 -0.749 1.00 0.00 C ATOM 594 O THR A 39 6.989 6.506 -0.387 1.00 0.00 O ATOM 595 CB THR A 39 9.776 7.877 0.225 1.00 0.00 C ATOM 596 OG1 THR A 39 8.930 8.882 0.756 1.00 0.00 O ATOM 597 CG2 THR A 39 11.130 8.527 -0.070 1.00 0.00 C ATOM 0 H THR A 39 8.219 9.155 -1.140 1.00 0.00 H new ATOM 0 HA THR A 39 9.933 6.850 -1.681 1.00 0.00 H new ATOM 0 HB THR A 39 9.896 7.055 0.931 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.997 8.586 0.703 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.552 8.923 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.807 7.783 -0.489 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.996 9.339 -0.785 1.00 0.00 H new ATOM 605 N THR A 40 8.525 4.952 -0.865 1.00 0.00 N ATOM 606 CA THR A 40 7.692 3.831 -0.458 1.00 0.00 C ATOM 607 C THR A 40 8.602 2.704 0.041 1.00 0.00 C ATOM 608 O THR A 40 9.413 2.189 -0.724 1.00 0.00 O ATOM 609 CB THR A 40 6.788 3.404 -1.629 1.00 0.00 C ATOM 610 OG1 THR A 40 5.964 4.489 -2.046 1.00 0.00 O ATOM 611 CG2 THR A 40 5.886 2.225 -1.246 1.00 0.00 C ATOM 0 H THR A 40 9.430 4.676 -1.245 1.00 0.00 H new ATOM 0 HA THR A 40 7.028 4.109 0.361 1.00 0.00 H new ATOM 0 HB THR A 40 7.445 3.098 -2.443 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.809 4.430 -3.012 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.263 1.952 -2.098 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.503 1.373 -0.960 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.250 2.510 -0.408 1.00 0.00 H new ATOM 619 N ILE A 41 8.488 2.325 1.316 1.00 0.00 N ATOM 620 CA ILE A 41 9.207 1.174 1.858 1.00 0.00 C ATOM 621 C ILE A 41 8.402 -0.079 1.530 1.00 0.00 C ATOM 622 O ILE A 41 7.175 -0.028 1.600 1.00 0.00 O ATOM 623 CB ILE A 41 9.458 1.360 3.368 1.00 0.00 C ATOM 624 CG1 ILE A 41 10.583 2.392 3.573 1.00 0.00 C ATOM 625 CG2 ILE A 41 9.845 0.050 4.061 1.00 0.00 C ATOM 626 CD1 ILE A 41 10.846 2.732 5.046 1.00 0.00 C ATOM 0 H ILE A 41 7.898 2.805 1.996 1.00 0.00 H new ATOM 0 HA ILE A 41 10.194 1.074 1.405 1.00 0.00 H new ATOM 0 HB ILE A 41 8.527 1.707 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.501 2.009 3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.327 3.307 3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.011 0.235 5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.041 -0.677 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.759 -0.342 3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.651 3.464 5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.941 3.146 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 41 11.133 1.828 5.582 1.00 0.00 H new ATOM 638 N ILE A 42 9.074 -1.177 1.162 1.00 0.00 N ATOM 639 CA ILE A 42 8.467 -2.490 0.976 1.00 0.00 C ATOM 640 C ILE A 42 9.414 -3.522 1.596 1.00 0.00 C ATOM 641 O ILE A 42 10.511 -3.724 1.072 1.00 0.00 O ATOM 642 CB ILE A 42 8.218 -2.778 -0.518 1.00 0.00 C ATOM 643 CG1 ILE A 42 7.395 -1.661 -1.184 1.00 0.00 C ATOM 644 CG2 ILE A 42 7.499 -4.126 -0.661 1.00 0.00 C ATOM 645 CD1 ILE A 42 7.076 -1.932 -2.658 1.00 0.00 C ATOM 0 H ILE A 42 10.078 -1.171 0.982 1.00 0.00 H new ATOM 0 HA ILE A 42 7.493 -2.534 1.463 1.00 0.00 H new ATOM 0 HB ILE A 42 9.182 -2.817 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.461 -1.533 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.942 -0.722 -1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.321 -4.333 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.118 -4.916 -0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.546 -4.088 -0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.494 -1.104 -3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.005 -2.031 -3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.501 -2.854 -2.742 1.00 0.00 H new ATOM 657 N GLU A 43 9.012 -4.159 2.700 1.00 0.00 N ATOM 658 CA GLU A 43 9.867 -5.060 3.467 1.00 0.00 C ATOM 659 C GLU A 43 9.167 -6.391 3.743 1.00 0.00 C ATOM 660 O GLU A 43 8.065 -6.415 4.295 1.00 0.00 O ATOM 661 CB GLU A 43 10.275 -4.378 4.778 1.00 0.00 C ATOM 662 CG GLU A 43 11.261 -3.236 4.502 1.00 0.00 C ATOM 663 CD GLU A 43 11.550 -2.415 5.752 1.00 0.00 C ATOM 664 OE1 GLU A 43 10.570 -2.084 6.454 1.00 0.00 O ATOM 665 OE2 GLU A 43 12.745 -2.122 5.965 1.00 0.00 O ATOM 0 H GLU A 43 8.074 -4.060 3.087 1.00 0.00 H new ATOM 0 HA GLU A 43 10.760 -5.280 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.391 -3.990 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.731 -5.107 5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.193 -3.648 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.855 -2.586 3.727 1.00 0.00 H new ATOM 672 N VAL A 44 9.820 -7.497 3.369 1.00 0.00 N ATOM 673 CA VAL A 44 9.382 -8.845 3.689 1.00 0.00 C ATOM 674 C VAL A 44 9.411 -9.079 5.207 1.00 0.00 C ATOM 675 O VAL A 44 10.445 -9.377 5.801 1.00 0.00 O ATOM 676 CB VAL A 44 10.156 -9.886 2.854 1.00 0.00 C ATOM 677 CG1 VAL A 44 11.609 -10.114 3.296 1.00 0.00 C ATOM 678 CG2 VAL A 44 9.417 -11.230 2.839 1.00 0.00 C ATOM 0 H VAL A 44 10.683 -7.471 2.826 1.00 0.00 H new ATOM 0 HA VAL A 44 8.338 -8.973 3.401 1.00 0.00 H new ATOM 0 HB VAL A 44 10.202 -9.458 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.072 -10.861 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.163 -9.178 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.625 -10.465 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.981 -11.949 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.317 -11.602 3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.427 -11.096 2.403 1.00 0.00 H new ATOM 688 N ASN A 45 8.248 -8.981 5.846 1.00 0.00 N ATOM 689 CA ASN A 45 8.033 -9.425 7.212 1.00 0.00 C ATOM 690 C ASN A 45 7.967 -10.956 7.215 1.00 0.00 C ATOM 691 O ASN A 45 6.926 -11.549 7.482 1.00 0.00 O ATOM 692 CB ASN A 45 6.751 -8.774 7.744 1.00 0.00 C ATOM 693 CG ASN A 45 6.495 -9.117 9.209 1.00 0.00 C ATOM 694 OD1 ASN A 45 7.132 -8.567 10.100 1.00 0.00 O ATOM 695 ND2 ASN A 45 5.549 -10.009 9.477 1.00 0.00 N ATOM 0 H ASN A 45 7.414 -8.582 5.416 1.00 0.00 H new ATOM 0 HA ASN A 45 8.848 -9.126 7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.822 -7.692 7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.903 -9.101 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.337 -10.252 10.445 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.035 -10.451 8.715 1.00 0.00 H new ATOM 702 N GLY A 46 9.081 -11.608 6.874 1.00 0.00 N ATOM 703 CA GLY A 46 9.208 -13.059 6.841 1.00 0.00 C ATOM 704 C GLY A 46 8.239 -13.722 5.856 1.00 0.00 C ATOM 705 O GLY A 46 8.626 -14.051 4.737 1.00 0.00 O ATOM 0 H GLY A 46 9.939 -11.125 6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.230 -13.323 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.031 -13.457 7.840 1.00 0.00 H new ATOM 709 N ASP A 47 6.991 -13.937 6.286 1.00 0.00 N ATOM 710 CA ASP A 47 5.929 -14.570 5.507 1.00 0.00 C ATOM 711 C ASP A 47 4.970 -13.544 4.891 1.00 0.00 C ATOM 712 O ASP A 47 4.066 -13.900 4.133 1.00 0.00 O ATOM 713 CB ASP A 47 5.197 -15.606 6.377 1.00 0.00 C ATOM 714 CG ASP A 47 4.094 -15.077 7.289 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.788 -13.860 7.308 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.412 -15.927 7.901 1.00 0.00 O ATOM 0 H ASP A 47 6.685 -13.664 7.220 1.00 0.00 H new ATOM 0 HA ASP A 47 6.383 -15.089 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.763 -16.358 5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.936 -16.114 6.996 1.00 0.00 H new ATOM 721 N THR A 48 5.146 -12.274 5.251 1.00 0.00 N ATOM 722 CA THR A 48 4.301 -11.157 4.887 1.00 0.00 C ATOM 723 C THR A 48 5.202 -10.093 4.263 1.00 0.00 C ATOM 724 O THR A 48 6.422 -10.181 4.363 1.00 0.00 O ATOM 725 CB THR A 48 3.567 -10.661 6.152 1.00 0.00 C ATOM 726 OG1 THR A 48 4.143 -11.180 7.334 1.00 0.00 O ATOM 727 CG2 THR A 48 2.129 -11.158 6.189 1.00 0.00 C ATOM 0 H THR A 48 5.930 -11.989 5.838 1.00 0.00 H new ATOM 0 HA THR A 48 3.535 -11.427 4.160 1.00 0.00 H new ATOM 0 HB THR A 48 3.634 -9.574 6.108 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.945 -12.138 7.401 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.640 -10.791 7.092 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.595 -10.791 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.121 -12.248 6.189 1.00 0.00 H new ATOM 735 N VAL A 49 4.621 -9.096 3.602 1.00 0.00 N ATOM 736 CA VAL A 49 5.330 -7.980 2.999 1.00 0.00 C ATOM 737 C VAL A 49 4.614 -6.714 3.456 1.00 0.00 C ATOM 738 O VAL A 49 3.484 -6.462 3.040 1.00 0.00 O ATOM 739 CB VAL A 49 5.362 -8.142 1.469 1.00 0.00 C ATOM 740 CG1 VAL A 49 5.794 -6.846 0.770 1.00 0.00 C ATOM 741 CG2 VAL A 49 6.331 -9.249 1.039 1.00 0.00 C ATOM 0 H VAL A 49 3.611 -9.044 3.469 1.00 0.00 H new ATOM 0 HA VAL A 49 6.373 -7.932 3.310 1.00 0.00 H new ATOM 0 HB VAL A 49 4.345 -8.401 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.804 -7.001 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.092 -6.049 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.793 -6.567 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.327 -9.334 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.337 -9.005 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.019 -10.196 1.479 1.00 0.00 H new ATOM 751 N ILE A 50 5.241 -5.927 4.328 1.00 0.00 N ATOM 752 CA ILE A 50 4.660 -4.665 4.757 1.00 0.00 C ATOM 753 C ILE A 50 5.143 -3.580 3.800 1.00 0.00 C ATOM 754 O ILE A 50 6.338 -3.502 3.510 1.00 0.00 O ATOM 755 CB ILE A 50 4.938 -4.397 6.247 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.047 -3.244 6.744 1.00 0.00 C ATOM 757 CG2 ILE A 50 6.419 -4.131 6.545 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.035 -3.144 8.271 1.00 0.00 C ATOM 0 H ILE A 50 6.146 -6.143 4.747 1.00 0.00 H new ATOM 0 HA ILE A 50 3.572 -4.686 4.702 1.00 0.00 H new ATOM 0 HB ILE A 50 4.688 -5.306 6.795 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.402 -2.304 6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.029 -3.391 6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.549 -3.949 7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.011 -4.997 6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.751 -3.257 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.394 -2.317 8.576 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.654 -4.074 8.694 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.049 -2.970 8.632 1.00 0.00 H new ATOM 770 N ILE A 51 4.207 -2.790 3.270 1.00 0.00 N ATOM 771 CA ILE A 51 4.489 -1.646 2.419 1.00 0.00 C ATOM 772 C ILE A 51 4.066 -0.393 3.176 1.00 0.00 C ATOM 773 O ILE A 51 2.983 -0.376 3.761 1.00 0.00 O ATOM 774 CB ILE A 51 3.823 -1.802 1.033 1.00 0.00 C ATOM 775 CG1 ILE A 51 3.953 -0.540 0.154 1.00 0.00 C ATOM 776 CG2 ILE A 51 2.371 -2.280 1.118 1.00 0.00 C ATOM 777 CD1 ILE A 51 2.820 0.490 0.284 1.00 0.00 C ATOM 0 H ILE A 51 3.210 -2.937 3.428 1.00 0.00 H new ATOM 0 HA ILE A 51 5.554 -1.568 2.200 1.00 0.00 H new ATOM 0 HB ILE A 51 4.387 -2.591 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.895 -0.048 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.016 -0.852 -0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.958 -2.370 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.336 -3.250 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.784 -1.560 1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.017 1.333 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.873 0.026 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.765 0.843 1.314 1.00 0.00 H new ATOM 789 N LYS A 52 4.922 0.636 3.173 1.00 0.00 N ATOM 790 CA LYS A 52 4.656 1.936 3.770 1.00 0.00 C ATOM 791 C LYS A 52 4.851 3.039 2.728 1.00 0.00 C ATOM 792 O LYS A 52 5.984 3.382 2.382 1.00 0.00 O ATOM 793 CB LYS A 52 5.532 2.167 5.008 1.00 0.00 C ATOM 794 CG LYS A 52 5.294 1.091 6.077 1.00 0.00 C ATOM 795 CD LYS A 52 5.314 1.706 7.483 1.00 0.00 C ATOM 796 CE LYS A 52 4.883 0.667 8.530 1.00 0.00 C ATOM 797 NZ LYS A 52 4.275 1.299 9.717 1.00 0.00 N ATOM 0 H LYS A 52 5.844 0.578 2.741 1.00 0.00 H new ATOM 0 HA LYS A 52 3.619 1.962 4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.582 2.165 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.319 3.150 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.335 0.604 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.061 0.321 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.315 2.069 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.646 2.567 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.170 -0.025 8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.749 0.079 8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.483 0.715 10.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.988 1.382 10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.925 2.245 9.465 1.00 0.00 H new ATOM 811 N THR A 53 3.734 3.594 2.257 1.00 0.00 N ATOM 812 CA THR A 53 3.635 4.775 1.415 1.00 0.00 C ATOM 813 C THR A 53 4.017 5.991 2.257 1.00 0.00 C ATOM 814 O THR A 53 3.273 6.340 3.175 1.00 0.00 O ATOM 815 CB THR A 53 2.166 4.898 0.978 1.00 0.00 C ATOM 816 OG1 THR A 53 1.807 3.864 0.089 1.00 0.00 O ATOM 817 CG2 THR A 53 1.840 6.201 0.270 1.00 0.00 C ATOM 0 H THR A 53 2.817 3.201 2.470 1.00 0.00 H new ATOM 0 HA THR A 53 4.290 4.710 0.546 1.00 0.00 H new ATOM 0 HB THR A 53 1.607 4.846 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.868 3.967 -0.170 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.786 6.211 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.049 7.039 0.935 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.451 6.290 -0.628 1.00 0.00 H new ATOM 825 N GLN A 54 5.140 6.649 1.949 1.00 0.00 N ATOM 826 CA GLN A 54 5.634 7.771 2.737 1.00 0.00 C ATOM 827 C GLN A 54 5.728 9.040 1.894 1.00 0.00 C ATOM 828 O GLN A 54 6.230 9.013 0.771 1.00 0.00 O ATOM 829 CB GLN A 54 6.986 7.395 3.343 1.00 0.00 C ATOM 830 CG GLN A 54 6.765 6.468 4.545 1.00 0.00 C ATOM 831 CD GLN A 54 7.960 5.558 4.761 1.00 0.00 C ATOM 832 OE1 GLN A 54 8.002 4.456 4.024 1.00 0.00 O flip ATOM 833 NE2 GLN A 54 8.831 5.836 5.577 1.00 0.00 N flip ATOM 0 H GLN A 54 5.727 6.416 1.148 1.00 0.00 H new ATOM 0 HA GLN A 54 4.932 7.984 3.543 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.606 6.899 2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.519 8.293 3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.592 7.064 5.441 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.870 5.866 4.384 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.762 6.694 6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.625 5.210 5.709 1.00 0.00 H new ATOM 842 N SER A 55 5.261 10.155 2.460 1.00 0.00 N ATOM 843 CA SER A 55 5.386 11.480 1.874 1.00 0.00 C ATOM 844 C SER A 55 5.716 12.527 2.937 1.00 0.00 C ATOM 845 O SER A 55 5.470 13.709 2.701 1.00 0.00 O ATOM 846 CB SER A 55 4.066 11.841 1.184 1.00 0.00 C ATOM 847 OG SER A 55 4.246 12.990 0.381 1.00 0.00 O ATOM 0 H SER A 55 4.776 10.156 3.357 1.00 0.00 H new ATOM 0 HA SER A 55 6.202 11.469 1.151 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.725 11.007 0.571 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.293 12.025 1.930 1.00 0.00 H new ATOM 0 HG SER A 55 4.723 13.676 0.893 1.00 0.00 H new ATOM 853 N THR A 56 6.198 12.095 4.111 1.00 0.00 N ATOM 854 CA THR A 56 6.258 12.896 5.332 1.00 0.00 C ATOM 855 C THR A 56 4.994 13.755 5.503 1.00 0.00 C ATOM 856 O THR A 56 5.069 14.904 5.938 1.00 0.00 O ATOM 857 CB THR A 56 7.581 13.686 5.415 1.00 0.00 C ATOM 858 OG1 THR A 56 7.624 14.403 6.625 1.00 0.00 O ATOM 859 CG2 THR A 56 7.813 14.693 4.286 1.00 0.00 C ATOM 0 H THR A 56 6.566 11.152 4.236 1.00 0.00 H new ATOM 0 HA THR A 56 6.265 12.226 6.192 1.00 0.00 H new ATOM 0 HB THR A 56 8.361 12.929 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.779 14.883 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.769 15.195 4.437 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.824 14.171 3.329 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.011 15.432 4.287 1.00 0.00 H new ATOM 867 N PHE A 57 3.830 13.202 5.143 1.00 0.00 N ATOM 868 CA PHE A 57 2.604 13.969 4.981 1.00 0.00 C ATOM 869 C PHE A 57 1.463 12.995 4.708 1.00 0.00 C ATOM 870 O PHE A 57 1.263 12.591 3.565 1.00 0.00 O ATOM 871 CB PHE A 57 2.744 14.978 3.826 1.00 0.00 C ATOM 872 CG PHE A 57 1.557 15.912 3.667 1.00 0.00 C ATOM 873 CD1 PHE A 57 1.410 17.003 4.543 1.00 0.00 C ATOM 874 CD2 PHE A 57 0.662 15.755 2.593 1.00 0.00 C ATOM 875 CE1 PHE A 57 0.377 17.934 4.343 1.00 0.00 C ATOM 876 CE2 PHE A 57 -0.356 16.701 2.379 1.00 0.00 C ATOM 877 CZ PHE A 57 -0.504 17.787 3.258 1.00 0.00 C ATOM 0 H PHE A 57 3.719 12.205 4.957 1.00 0.00 H new ATOM 0 HA PHE A 57 2.398 14.536 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.642 15.574 3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.888 14.430 2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.093 17.125 5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.757 14.906 1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.260 18.764 5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.025 16.593 1.538 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.293 18.507 3.100 1.00 0.00 H new ATOM 887 N LYS A 58 0.728 12.612 5.758 1.00 0.00 N ATOM 888 CA LYS A 58 -0.432 11.731 5.657 1.00 0.00 C ATOM 889 C LYS A 58 -0.045 10.427 4.947 1.00 0.00 C ATOM 890 O LYS A 58 -0.641 10.037 3.944 1.00 0.00 O ATOM 891 CB LYS A 58 -1.588 12.475 4.972 1.00 0.00 C ATOM 892 CG LYS A 58 -2.077 13.663 5.820 1.00 0.00 C ATOM 893 CD LYS A 58 -2.514 14.882 4.994 1.00 0.00 C ATOM 894 CE LYS A 58 -3.751 14.650 4.114 1.00 0.00 C ATOM 895 NZ LYS A 58 -3.480 13.755 2.970 1.00 0.00 N ATOM 0 H LYS A 58 0.928 12.911 6.712 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.780 11.449 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.263 12.833 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.414 11.785 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.914 13.336 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.279 13.964 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.718 15.710 5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.684 15.189 4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.549 14.224 4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.112 15.609 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.147 13.964 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.507 13.904 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.596 12.765 3.268 1.00 0.00 H new ATOM 909 N ASN A 59 0.982 9.777 5.497 1.00 0.00 N ATOM 910 CA ASN A 59 1.520 8.510 5.018 1.00 0.00 C ATOM 911 C ASN A 59 0.453 7.411 5.136 1.00 0.00 C ATOM 912 O ASN A 59 -0.521 7.573 5.870 1.00 0.00 O ATOM 913 CB ASN A 59 2.766 8.152 5.845 1.00 0.00 C ATOM 914 CG ASN A 59 3.904 9.176 5.758 1.00 0.00 C ATOM 915 OD1 ASN A 59 3.890 10.119 4.964 1.00 0.00 O ATOM 916 ND2 ASN A 59 4.925 8.998 6.590 1.00 0.00 N ATOM 0 H ASN A 59 1.476 10.133 6.315 1.00 0.00 H new ATOM 0 HA ASN A 59 1.802 8.598 3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.474 8.041 6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.140 7.183 5.514 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.712 9.647 6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.921 8.213 7.241 1.00 0.00 H new ATOM 923 N THR A 60 0.633 6.289 4.433 1.00 0.00 N ATOM 924 CA THR A 60 -0.276 5.139 4.477 1.00 0.00 C ATOM 925 C THR A 60 0.555 3.853 4.446 1.00 0.00 C ATOM 926 O THR A 60 1.737 3.894 4.103 1.00 0.00 O ATOM 927 CB THR A 60 -1.287 5.193 3.311 1.00 0.00 C ATOM 928 OG1 THR A 60 -0.729 5.850 2.191 1.00 0.00 O ATOM 929 CG2 THR A 60 -2.561 5.951 3.688 1.00 0.00 C ATOM 0 H THR A 60 1.427 6.152 3.807 1.00 0.00 H new ATOM 0 HA THR A 60 -0.857 5.163 5.399 1.00 0.00 H new ATOM 0 HB THR A 60 -1.530 4.156 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.385 5.871 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.242 5.963 2.837 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.043 5.456 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.307 6.974 3.964 1.00 0.00 H new ATOM 937 N GLU A 61 -0.040 2.711 4.799 1.00 0.00 N ATOM 938 CA GLU A 61 0.660 1.440 4.852 1.00 0.00 C ATOM 939 C GLU A 61 -0.333 0.290 4.696 1.00 0.00 C ATOM 940 O GLU A 61 -1.507 0.463 5.015 1.00 0.00 O ATOM 941 CB GLU A 61 1.484 1.349 6.146 1.00 0.00 C ATOM 942 CG GLU A 61 0.699 1.655 7.431 1.00 0.00 C ATOM 943 CD GLU A 61 1.653 1.718 8.611 1.00 0.00 C ATOM 944 OE1 GLU A 61 2.363 2.738 8.745 1.00 0.00 O ATOM 945 OE2 GLU A 61 1.819 0.694 9.317 1.00 0.00 O ATOM 0 H GLU A 61 -1.025 2.649 5.056 1.00 0.00 H new ATOM 0 HA GLU A 61 1.363 1.365 4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.904 0.346 6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.323 2.041 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.169 2.602 7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.054 0.885 7.601 1.00 0.00 H new ATOM 952 N ILE A 62 0.134 -0.843 4.157 1.00 0.00 N ATOM 953 CA ILE A 62 -0.655 -2.049 3.909 1.00 0.00 C ATOM 954 C ILE A 62 0.249 -3.250 4.215 1.00 0.00 C ATOM 955 O ILE A 62 1.453 -3.193 3.953 1.00 0.00 O ATOM 956 CB ILE A 62 -1.172 -2.082 2.447 1.00 0.00 C ATOM 957 CG1 ILE A 62 -2.157 -0.939 2.127 1.00 0.00 C ATOM 958 CG2 ILE A 62 -1.858 -3.415 2.110 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.474 0.262 1.461 1.00 0.00 C ATOM 0 H ILE A 62 1.108 -0.945 3.872 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.539 -2.072 4.546 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.279 -1.957 1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.942 -1.315 1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.640 -0.612 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.205 -3.395 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.148 -4.232 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.708 -3.565 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.215 1.036 1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.707 0.659 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.014 -0.054 0.525 1.00 0.00 H new ATOM 971 N SER A 63 -0.310 -4.335 4.761 1.00 0.00 N ATOM 972 CA SER A 63 0.421 -5.559 5.070 1.00 0.00 C ATOM 973 C SER A 63 0.055 -6.664 4.074 1.00 0.00 C ATOM 974 O SER A 63 -0.853 -7.446 4.341 1.00 0.00 O ATOM 975 CB SER A 63 0.097 -5.968 6.510 1.00 0.00 C ATOM 976 OG SER A 63 -1.302 -6.097 6.666 1.00 0.00 O ATOM 0 H SER A 63 -1.300 -4.384 5.003 1.00 0.00 H new ATOM 0 HA SER A 63 1.494 -5.391 4.982 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.588 -6.911 6.749 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.483 -5.223 7.205 1.00 0.00 H new ATOM 0 HG SER A 63 -1.660 -6.665 5.952 1.00 0.00 H new ATOM 982 N PHE A 64 0.758 -6.750 2.940 1.00 0.00 N ATOM 983 CA PHE A 64 0.558 -7.826 1.973 1.00 0.00 C ATOM 984 C PHE A 64 0.910 -9.165 2.632 1.00 0.00 C ATOM 985 O PHE A 64 1.837 -9.219 3.439 1.00 0.00 O ATOM 986 CB PHE A 64 1.468 -7.630 0.747 1.00 0.00 C ATOM 987 CG PHE A 64 1.039 -6.655 -0.337 1.00 0.00 C ATOM 988 CD1 PHE A 64 0.439 -5.421 -0.033 1.00 0.00 C ATOM 989 CD2 PHE A 64 1.401 -6.929 -1.666 1.00 0.00 C ATOM 990 CE1 PHE A 64 0.061 -4.546 -1.066 1.00 0.00 C ATOM 991 CE2 PHE A 64 1.040 -6.054 -2.702 1.00 0.00 C ATOM 992 CZ PHE A 64 0.342 -4.876 -2.404 1.00 0.00 C ATOM 0 H PHE A 64 1.477 -6.078 2.671 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.484 -7.816 1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.445 -7.311 1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.604 -8.605 0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.268 -5.144 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.963 -7.823 -1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.445 -3.621 -0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.299 -6.287 -3.724 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.020 -4.222 -3.201 1.00 0.00 H new ATOM 1002 N LYS A 65 0.242 -10.255 2.237 1.00 0.00 N ATOM 1003 CA LYS A 65 0.658 -11.612 2.567 1.00 0.00 C ATOM 1004 C LYS A 65 0.620 -12.450 1.293 1.00 0.00 C ATOM 1005 O LYS A 65 -0.435 -12.599 0.682 1.00 0.00 O ATOM 1006 CB LYS A 65 -0.226 -12.197 3.676 1.00 0.00 C ATOM 1007 CG LYS A 65 0.349 -13.522 4.203 1.00 0.00 C ATOM 1008 CD LYS A 65 -0.244 -13.876 5.577 1.00 0.00 C ATOM 1009 CE LYS A 65 0.526 -15.031 6.244 1.00 0.00 C ATOM 1010 NZ LYS A 65 1.275 -14.607 7.447 1.00 0.00 N ATOM 0 H LYS A 65 -0.608 -10.214 1.675 1.00 0.00 H new ATOM 0 HA LYS A 65 1.676 -11.613 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.308 -11.482 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.233 -12.361 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.135 -14.322 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.434 -13.446 4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.217 -12.998 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.291 -14.155 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.176 -15.818 6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.221 -15.461 5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.745 -15.432 7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.990 -13.900 7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.617 -14.190 8.136 1.00 0.00 H new ATOM 1024 N LEU A 66 1.784 -12.956 0.879 1.00 0.00 N ATOM 1025 CA LEU A 66 1.953 -13.772 -0.314 1.00 0.00 C ATOM 1026 C LEU A 66 1.072 -15.026 -0.278 1.00 0.00 C ATOM 1027 O LEU A 66 1.455 -16.041 0.299 1.00 0.00 O ATOM 1028 CB LEU A 66 3.441 -14.091 -0.536 1.00 0.00 C ATOM 1029 CG LEU A 66 4.174 -14.626 0.712 1.00 0.00 C ATOM 1030 CD1 LEU A 66 4.895 -15.947 0.415 1.00 0.00 C ATOM 1031 CD2 LEU A 66 5.194 -13.592 1.215 1.00 0.00 C ATOM 0 H LEU A 66 2.657 -12.802 1.383 1.00 0.00 H new ATOM 0 HA LEU A 66 1.612 -13.199 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.526 -14.827 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.946 -13.188 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 66 3.423 -14.806 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.401 -16.296 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.169 -16.694 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.629 -15.791 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.704 -13.982 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.925 -13.391 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.677 -12.668 1.475 1.00 0.00 H new ATOM 1043 N GLY A 67 -0.096 -14.957 -0.921 1.00 0.00 N ATOM 1044 CA GLY A 67 -0.984 -16.088 -1.132 1.00 0.00 C ATOM 1045 C GLY A 67 -2.132 -16.081 -0.128 1.00 0.00 C ATOM 1046 O GLY A 67 -2.377 -17.094 0.525 1.00 0.00 O ATOM 0 H GLY A 67 -0.454 -14.088 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.383 -16.056 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.422 -17.017 -1.040 1.00 0.00 H new ATOM 1050 N VAL A 68 -2.850 -14.958 -0.002 1.00 0.00 N ATOM 1051 CA VAL A 68 -4.012 -14.879 0.879 1.00 0.00 C ATOM 1052 C VAL A 68 -4.876 -13.660 0.538 1.00 0.00 C ATOM 1053 O VAL A 68 -4.398 -12.740 -0.131 1.00 0.00 O ATOM 1054 CB VAL A 68 -3.572 -14.923 2.365 1.00 0.00 C ATOM 1055 CG1 VAL A 68 -3.657 -13.577 3.093 1.00 0.00 C ATOM 1056 CG2 VAL A 68 -4.397 -15.958 3.139 1.00 0.00 C ATOM 0 H VAL A 68 -2.643 -14.093 -0.501 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.644 -15.752 0.716 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.518 -15.201 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.331 -13.701 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.014 -12.852 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.687 -13.220 3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.075 -15.975 4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.453 -15.692 3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.251 -16.944 2.697 1.00 0.00 H new ATOM 1066 N GLU A 69 -6.127 -13.671 1.020 1.00 0.00 N ATOM 1067 CA GLU A 69 -7.054 -12.544 1.051 1.00 0.00 C ATOM 1068 C GLU A 69 -7.069 -11.987 2.478 1.00 0.00 C ATOM 1069 O GLU A 69 -7.128 -12.766 3.429 1.00 0.00 O ATOM 1070 CB GLU A 69 -8.466 -13.018 0.651 1.00 0.00 C ATOM 1071 CG GLU A 69 -9.463 -11.851 0.548 1.00 0.00 C ATOM 1072 CD GLU A 69 -10.917 -12.304 0.525 1.00 0.00 C ATOM 1073 OE1 GLU A 69 -11.379 -12.775 1.590 1.00 0.00 O ATOM 1074 OE2 GLU A 69 -11.608 -12.033 -0.480 1.00 0.00 O ATOM 0 H GLU A 69 -6.536 -14.516 1.419 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.741 -11.772 0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.416 -13.536 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.827 -13.738 1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.312 -11.177 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.253 -11.281 -0.357 1.00 0.00 H new ATOM 1081 N PHE A 70 -7.036 -10.662 2.637 1.00 0.00 N ATOM 1082 CA PHE A 70 -7.250 -9.996 3.912 1.00 0.00 C ATOM 1083 C PHE A 70 -8.019 -8.696 3.677 1.00 0.00 C ATOM 1084 O PHE A 70 -7.911 -8.083 2.614 1.00 0.00 O ATOM 1085 CB PHE A 70 -5.918 -9.742 4.630 1.00 0.00 C ATOM 1086 CG PHE A 70 -4.969 -8.811 3.901 1.00 0.00 C ATOM 1087 CD1 PHE A 70 -4.189 -9.298 2.838 1.00 0.00 C ATOM 1088 CD2 PHE A 70 -4.851 -7.464 4.294 1.00 0.00 C ATOM 1089 CE1 PHE A 70 -3.303 -8.442 2.169 1.00 0.00 C ATOM 1090 CE2 PHE A 70 -3.956 -6.612 3.626 1.00 0.00 C ATOM 1091 CZ PHE A 70 -3.197 -7.095 2.549 1.00 0.00 C ATOM 0 H PHE A 70 -6.857 -10.017 1.868 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.842 -10.641 4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.127 -9.326 5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.418 -10.698 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.272 -10.332 2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.449 -7.086 5.110 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.699 -8.821 1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.852 -5.584 3.942 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.533 -6.432 2.014 1.00 0.00 H new ATOM 1101 N ASP A 71 -8.814 -8.298 4.672 1.00 0.00 N ATOM 1102 CA ASP A 71 -9.542 -7.040 4.672 1.00 0.00 C ATOM 1103 C ASP A 71 -8.570 -5.923 5.060 1.00 0.00 C ATOM 1104 O ASP A 71 -7.743 -6.130 5.947 1.00 0.00 O ATOM 1105 CB ASP A 71 -10.726 -7.164 5.635 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.722 -6.033 5.467 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -12.549 -6.088 4.531 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -11.759 -5.135 6.335 1.00 0.00 O ATOM 0 H ASP A 71 -8.969 -8.855 5.512 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.946 -6.798 3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.229 -8.117 5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.358 -7.173 6.661 1.00 0.00 H new ATOM 1113 N GLU A 72 -8.623 -4.783 4.367 1.00 0.00 N ATOM 1114 CA GLU A 72 -7.677 -3.682 4.502 1.00 0.00 C ATOM 1115 C GLU A 72 -8.439 -2.358 4.456 1.00 0.00 C ATOM 1116 O GLU A 72 -9.523 -2.299 3.879 1.00 0.00 O ATOM 1117 CB GLU A 72 -6.624 -3.789 3.387 1.00 0.00 C ATOM 1118 CG GLU A 72 -5.536 -2.704 3.440 1.00 0.00 C ATOM 1119 CD GLU A 72 -4.808 -2.667 4.781 1.00 0.00 C ATOM 1120 OE1 GLU A 72 -5.346 -1.974 5.673 1.00 0.00 O ATOM 1121 OE2 GLU A 72 -3.764 -3.343 4.897 1.00 0.00 O ATOM 0 H GLU A 72 -9.350 -4.599 3.676 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.156 -3.729 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.148 -4.768 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.127 -3.736 2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.813 -2.880 2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.989 -1.731 3.250 1.00 0.00 H new ATOM 1128 N THR A 73 -7.880 -1.318 5.080 1.00 0.00 N ATOM 1129 CA THR A 73 -8.493 -0.012 5.279 1.00 0.00 C ATOM 1130 C THR A 73 -7.522 1.094 4.851 1.00 0.00 C ATOM 1131 O THR A 73 -7.046 1.857 5.690 1.00 0.00 O ATOM 1132 CB THR A 73 -8.902 0.126 6.758 1.00 0.00 C ATOM 1133 OG1 THR A 73 -9.513 -1.062 7.220 1.00 0.00 O ATOM 1134 CG2 THR A 73 -9.898 1.271 6.966 1.00 0.00 C ATOM 0 H THR A 73 -6.942 -1.371 5.478 1.00 0.00 H new ATOM 0 HA THR A 73 -9.387 0.085 4.663 1.00 0.00 H new ATOM 0 HB THR A 73 -7.987 0.330 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.764 -0.956 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.162 1.336 8.021 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.445 2.210 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.796 1.083 6.378 1.00 0.00 H new ATOM 1142 N THR A 74 -7.238 1.215 3.550 1.00 0.00 N ATOM 1143 CA THR A 74 -6.369 2.286 3.069 1.00 0.00 C ATOM 1144 C THR A 74 -7.200 3.557 2.881 1.00 0.00 C ATOM 1145 O THR A 74 -8.370 3.496 2.490 1.00 0.00 O ATOM 1146 CB THR A 74 -5.583 1.849 1.826 1.00 0.00 C ATOM 1147 OG1 THR A 74 -4.572 2.789 1.519 1.00 0.00 O ATOM 1148 CG2 THR A 74 -6.456 1.618 0.597 1.00 0.00 C ATOM 0 H THR A 74 -7.593 0.593 2.823 1.00 0.00 H new ATOM 0 HA THR A 74 -5.602 2.516 3.809 1.00 0.00 H new ATOM 0 HB THR A 74 -5.138 0.888 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.984 3.637 1.253 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.830 1.312 -0.241 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.185 0.836 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.977 2.541 0.342 1.00 0.00 H new ATOM 1156 N ALA A 75 -6.611 4.719 3.177 1.00 0.00 N ATOM 1157 CA ALA A 75 -7.311 5.992 3.314 1.00 0.00 C ATOM 1158 C ALA A 75 -7.662 6.627 1.963 1.00 0.00 C ATOM 1159 O ALA A 75 -7.600 7.852 1.813 1.00 0.00 O ATOM 1160 CB ALA A 75 -6.455 6.934 4.169 1.00 0.00 C ATOM 0 H ALA A 75 -5.606 4.799 3.332 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.266 5.808 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.966 7.890 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.297 6.491 5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.492 7.092 3.684 1.00 0.00 H new ATOM 1166 N ASP A 76 -8.088 5.817 0.998 1.00 0.00 N ATOM 1167 CA ASP A 76 -8.198 6.163 -0.408 1.00 0.00 C ATOM 1168 C ASP A 76 -9.144 5.159 -1.065 1.00 0.00 C ATOM 1169 O ASP A 76 -10.305 5.493 -1.292 1.00 0.00 O ATOM 1170 CB ASP A 76 -6.799 6.232 -1.046 1.00 0.00 C ATOM 1171 CG ASP A 76 -5.925 5.037 -0.691 1.00 0.00 C ATOM 1172 OD1 ASP A 76 -5.277 5.076 0.377 1.00 0.00 O ATOM 1173 OD2 ASP A 76 -5.995 4.053 -1.451 1.00 0.00 O ATOM 0 H ASP A 76 -8.378 4.858 1.188 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.625 7.156 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.902 6.291 -2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.303 7.147 -0.723 1.00 0.00 H new ATOM 1178 N ASP A 77 -8.688 3.929 -1.310 1.00 0.00 N ATOM 1179 CA ASP A 77 -9.515 2.850 -1.831 1.00 0.00 C ATOM 1180 C ASP A 77 -10.700 2.548 -0.909 1.00 0.00 C ATOM 1181 O ASP A 77 -11.752 2.123 -1.390 1.00 0.00 O ATOM 1182 CB ASP A 77 -8.660 1.593 -2.055 1.00 0.00 C ATOM 1183 CG ASP A 77 -8.839 0.984 -3.436 1.00 0.00 C ATOM 1184 OD1 ASP A 77 -9.903 1.202 -4.057 1.00 0.00 O ATOM 1185 OD2 ASP A 77 -7.878 0.295 -3.841 1.00 0.00 O ATOM 0 H ASP A 77 -7.719 3.655 -1.148 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.927 3.172 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.610 1.846 -1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.916 0.849 -1.301 1.00 0.00 H new ATOM 1190 N ARG A 78 -10.537 2.822 0.396 1.00 0.00 N ATOM 1191 CA ARG A 78 -11.514 2.714 1.482 1.00 0.00 C ATOM 1192 C ARG A 78 -11.265 1.390 2.212 1.00 0.00 C ATOM 1193 O ARG A 78 -10.154 0.858 2.158 1.00 0.00 O ATOM 1194 CB ARG A 78 -12.980 2.881 1.026 1.00 0.00 C ATOM 1195 CG ARG A 78 -13.245 4.135 0.170 1.00 0.00 C ATOM 1196 CD ARG A 78 -14.395 3.885 -0.816 1.00 0.00 C ATOM 1197 NE ARG A 78 -14.319 4.777 -1.987 1.00 0.00 N ATOM 1198 CZ ARG A 78 -13.833 4.445 -3.197 1.00 0.00 C ATOM 1199 NH1 ARG A 78 -13.120 3.325 -3.371 1.00 0.00 N ATOM 1200 NH2 ARG A 78 -14.079 5.258 -4.230 1.00 0.00 N ATOM 0 H ARG A 78 -9.637 3.154 0.744 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.367 3.549 2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.272 1.999 0.456 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.620 2.917 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.490 4.978 0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.342 4.405 -0.377 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.369 2.847 -1.148 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -15.348 4.034 -0.308 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.665 5.729 -1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.938 2.708 -2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.759 3.089 -4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.625 6.109 -4.091 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.721 5.028 -5.157 1.00 0.00 H new ATOM 1214 N LYS A 79 -12.288 0.843 2.882 1.00 0.00 N ATOM 1215 CA LYS A 79 -12.209 -0.511 3.395 1.00 0.00 C ATOM 1216 C LYS A 79 -12.522 -1.478 2.255 1.00 0.00 C ATOM 1217 O LYS A 79 -13.625 -1.452 1.711 1.00 0.00 O ATOM 1218 CB LYS A 79 -13.109 -0.722 4.620 1.00 0.00 C ATOM 1219 CG LYS A 79 -12.451 -1.785 5.512 1.00 0.00 C ATOM 1220 CD LYS A 79 -13.300 -2.169 6.728 1.00 0.00 C ATOM 1221 CE LYS A 79 -14.525 -3.019 6.366 1.00 0.00 C ATOM 1222 NZ LYS A 79 -14.131 -4.272 5.695 1.00 0.00 N ATOM 0 H LYS A 79 -13.168 1.321 3.075 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.199 -0.706 3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.233 0.212 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.103 -1.045 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.256 -2.678 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.485 -1.414 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.681 -2.719 7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.632 -1.262 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.089 -3.250 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.186 -2.448 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.971 -4.870 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.704 -4.052 4.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.440 -4.779 6.284 1.00 0.00 H new ATOM 1236 N VAL A 80 -11.546 -2.301 1.881 1.00 0.00 N ATOM 1237 CA VAL A 80 -11.589 -3.197 0.733 1.00 0.00 C ATOM 1238 C VAL A 80 -10.979 -4.530 1.161 1.00 0.00 C ATOM 1239 O VAL A 80 -10.490 -4.632 2.284 1.00 0.00 O ATOM 1240 CB VAL A 80 -10.797 -2.569 -0.429 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.280 -1.148 -0.758 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -9.293 -2.518 -0.114 1.00 0.00 C ATOM 0 H VAL A 80 -10.666 -2.363 2.393 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.612 -3.360 0.393 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.971 -3.208 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.692 -0.746 -1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -12.332 -1.178 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.159 -0.511 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.761 -2.070 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.129 -1.919 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.922 -3.529 0.053 1.00 0.00 H new ATOM 1252 N LYS A 81 -10.952 -5.537 0.282 1.00 0.00 N ATOM 1253 CA LYS A 81 -10.111 -6.703 0.501 1.00 0.00 C ATOM 1254 C LYS A 81 -8.924 -6.683 -0.457 1.00 0.00 C ATOM 1255 O LYS A 81 -9.097 -6.563 -1.669 1.00 0.00 O ATOM 1256 CB LYS A 81 -10.900 -8.003 0.374 1.00 0.00 C ATOM 1257 CG LYS A 81 -11.984 -8.147 1.455 1.00 0.00 C ATOM 1258 CD LYS A 81 -12.272 -9.646 1.549 1.00 0.00 C ATOM 1259 CE LYS A 81 -13.303 -10.093 2.585 1.00 0.00 C ATOM 1260 NZ LYS A 81 -13.443 -11.567 2.538 1.00 0.00 N ATOM 0 H LYS A 81 -11.500 -5.563 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.735 -6.659 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.366 -8.046 -0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.214 -8.847 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.639 -7.753 2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.882 -7.591 1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.606 -9.988 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.334 -10.158 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.993 -9.778 3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.264 -9.619 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.814 -11.910 3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.100 -11.829 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.514 -11.998 2.358 1.00 0.00 H new ATOM 1274 N SER A 82 -7.723 -6.831 0.100 1.00 0.00 N ATOM 1275 CA SER A 82 -6.502 -7.084 -0.637 1.00 0.00 C ATOM 1276 C SER A 82 -6.341 -8.596 -0.732 1.00 0.00 C ATOM 1277 O SER A 82 -6.336 -9.265 0.299 1.00 0.00 O ATOM 1278 CB SER A 82 -5.324 -6.479 0.135 1.00 0.00 C ATOM 1279 OG SER A 82 -5.031 -5.170 -0.323 1.00 0.00 O ATOM 0 H SER A 82 -7.576 -6.775 1.108 1.00 0.00 H new ATOM 0 HA SER A 82 -6.535 -6.641 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.559 -6.451 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.445 -7.113 0.019 1.00 0.00 H new ATOM 0 HG SER A 82 -5.768 -4.846 -0.881 1.00 0.00 H new ATOM 1285 N ILE A 83 -6.178 -9.129 -1.943 1.00 0.00 N ATOM 1286 CA ILE A 83 -5.811 -10.520 -2.155 1.00 0.00 C ATOM 1287 C ILE A 83 -4.527 -10.532 -2.967 1.00 0.00 C ATOM 1288 O ILE A 83 -4.440 -9.868 -4.000 1.00 0.00 O ATOM 1289 CB ILE A 83 -6.983 -11.332 -2.738 1.00 0.00 C ATOM 1290 CG1 ILE A 83 -6.619 -12.791 -3.076 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -7.686 -10.622 -3.897 1.00 0.00 C ATOM 1292 CD1 ILE A 83 -5.955 -13.028 -4.440 1.00 0.00 C ATOM 0 H ILE A 83 -6.299 -8.600 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.605 -11.036 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.710 -11.392 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.951 -13.165 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.528 -13.390 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -8.502 -11.245 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.085 -9.668 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.973 -10.447 -4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.747 -14.091 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.624 -12.695 -5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.022 -12.467 -4.493 1.00 0.00 H new ATOM 1304 N VAL A 84 -3.499 -11.212 -2.457 1.00 0.00 N ATOM 1305 CA VAL A 84 -2.160 -11.142 -3.019 1.00 0.00 C ATOM 1306 C VAL A 84 -1.575 -12.533 -3.207 1.00 0.00 C ATOM 1307 O VAL A 84 -1.822 -13.436 -2.408 1.00 0.00 O ATOM 1308 CB VAL A 84 -1.258 -10.161 -2.236 1.00 0.00 C ATOM 1309 CG1 VAL A 84 -1.804 -9.768 -0.859 1.00 0.00 C ATOM 1310 CG2 VAL A 84 0.185 -10.652 -2.082 1.00 0.00 C ATOM 0 H VAL A 84 -3.576 -11.824 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.221 -10.715 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.261 -9.270 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.112 -9.078 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.774 -9.285 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.915 -10.661 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.762 -9.916 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.191 -11.601 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.630 -10.789 -3.068 1.00 0.00 H new ATOM 1320 N THR A 85 -0.793 -12.651 -4.279 1.00 0.00 N ATOM 1321 CA THR A 85 -0.202 -13.851 -4.837 1.00 0.00 C ATOM 1322 C THR A 85 1.173 -13.429 -5.375 1.00 0.00 C ATOM 1323 O THR A 85 1.423 -12.234 -5.545 1.00 0.00 O ATOM 1324 CB THR A 85 -1.149 -14.398 -5.927 1.00 0.00 C ATOM 1325 OG1 THR A 85 -2.132 -13.438 -6.283 1.00 0.00 O ATOM 1326 CG2 THR A 85 -1.906 -15.620 -5.408 1.00 0.00 C ATOM 0 H THR A 85 -0.538 -11.828 -4.824 1.00 0.00 H new ATOM 0 HA THR A 85 -0.067 -14.656 -4.115 1.00 0.00 H new ATOM 0 HB THR A 85 -0.527 -14.648 -6.787 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.713 -12.555 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.570 -15.995 -6.187 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.195 -16.398 -5.132 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.494 -15.340 -4.534 1.00 0.00 H new ATOM 1334 N LEU A 86 2.086 -14.377 -5.581 1.00 0.00 N ATOM 1335 CA LEU A 86 3.466 -14.120 -5.967 1.00 0.00 C ATOM 1336 C LEU A 86 3.855 -15.194 -6.979 1.00 0.00 C ATOM 1337 O LEU A 86 4.575 -16.141 -6.669 1.00 0.00 O ATOM 1338 CB LEU A 86 4.367 -14.056 -4.726 1.00 0.00 C ATOM 1339 CG LEU A 86 5.618 -13.187 -4.946 1.00 0.00 C ATOM 1340 CD1 LEU A 86 6.397 -13.090 -3.637 1.00 0.00 C ATOM 1341 CD2 LEU A 86 6.576 -13.743 -6.000 1.00 0.00 C ATOM 0 H LEU A 86 1.877 -15.370 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 86 3.589 -13.147 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.796 -13.658 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.674 -15.065 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 86 5.256 -12.220 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.285 -12.475 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.767 -12.637 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.696 -14.088 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.433 -13.077 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.918 -14.732 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.060 -13.817 -6.958 1.00 0.00 H new ATOM 1353 N ASP A 87 3.317 -15.042 -8.188 1.00 0.00 N ATOM 1354 CA ASP A 87 3.119 -16.097 -9.164 1.00 0.00 C ATOM 1355 C ASP A 87 2.393 -15.463 -10.349 1.00 0.00 C ATOM 1356 O ASP A 87 1.905 -14.336 -10.251 1.00 0.00 O ATOM 1357 CB ASP A 87 2.303 -17.256 -8.562 1.00 0.00 C ATOM 1358 CG ASP A 87 1.017 -16.775 -7.901 1.00 0.00 C ATOM 1359 OD1 ASP A 87 0.033 -16.589 -8.645 1.00 0.00 O ATOM 1360 OD2 ASP A 87 1.049 -16.570 -6.665 1.00 0.00 O ATOM 0 H ASP A 87 2.994 -14.134 -8.523 1.00 0.00 H new ATOM 0 HA ASP A 87 4.071 -16.524 -9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.060 -17.972 -9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.912 -17.783 -7.827 1.00 0.00 H new ATOM 1365 N GLY A 88 2.388 -16.147 -11.495 1.00 0.00 N ATOM 1366 CA GLY A 88 1.803 -15.641 -12.730 1.00 0.00 C ATOM 1367 C GLY A 88 2.641 -14.510 -13.332 1.00 0.00 C ATOM 1368 O GLY A 88 3.257 -14.691 -14.379 1.00 0.00 O ATOM 0 H GLY A 88 2.795 -17.077 -11.589 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.717 -16.454 -13.451 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.793 -15.281 -12.533 1.00 0.00 H new ATOM 1372 N GLY A 89 2.664 -13.351 -12.671 1.00 0.00 N ATOM 1373 CA GLY A 89 3.398 -12.161 -13.079 1.00 0.00 C ATOM 1374 C GLY A 89 4.051 -11.532 -11.853 1.00 0.00 C ATOM 1375 O GLY A 89 3.789 -10.378 -11.519 1.00 0.00 O ATOM 0 H GLY A 89 2.149 -13.215 -11.801 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.157 -12.422 -13.817 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.724 -11.448 -13.553 1.00 0.00 H new ATOM 1379 N LYS A 90 4.872 -12.326 -11.158 1.00 0.00 N ATOM 1380 CA LYS A 90 5.509 -11.943 -9.911 1.00 0.00 C ATOM 1381 C LYS A 90 4.432 -11.542 -8.897 1.00 0.00 C ATOM 1382 O LYS A 90 3.484 -12.299 -8.691 1.00 0.00 O ATOM 1383 CB LYS A 90 6.631 -10.921 -10.175 1.00 0.00 C ATOM 1384 CG LYS A 90 7.669 -10.860 -9.039 1.00 0.00 C ATOM 1385 CD LYS A 90 8.942 -10.140 -9.506 1.00 0.00 C ATOM 1386 CE LYS A 90 9.845 -11.062 -10.351 1.00 0.00 C ATOM 1387 NZ LYS A 90 10.419 -10.375 -11.526 1.00 0.00 N ATOM 0 H LYS A 90 5.112 -13.270 -11.460 1.00 0.00 H new ATOM 0 HA LYS A 90 6.031 -12.779 -9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.135 -11.176 -11.107 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.191 -9.933 -10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.245 -10.340 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.916 -11.870 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.669 -9.262 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.497 -9.784 -8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.653 -11.443 -9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.267 -11.923 -10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.044 -11.029 -12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.652 -10.063 -12.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.966 -9.549 -11.212 1.00 0.00 H new ATOM 1401 N LEU A 91 4.564 -10.393 -8.235 1.00 0.00 N ATOM 1402 CA LEU A 91 3.701 -10.054 -7.118 1.00 0.00 C ATOM 1403 C LEU A 91 2.379 -9.488 -7.637 1.00 0.00 C ATOM 1404 O LEU A 91 2.152 -8.277 -7.633 1.00 0.00 O ATOM 1405 CB LEU A 91 4.478 -9.179 -6.129 1.00 0.00 C ATOM 1406 CG LEU A 91 3.644 -8.563 -4.995 1.00 0.00 C ATOM 1407 CD1 LEU A 91 2.611 -9.535 -4.432 1.00 0.00 C ATOM 1408 CD2 LEU A 91 4.570 -8.163 -3.848 1.00 0.00 C ATOM 0 H LEU A 91 5.263 -9.684 -8.458 1.00 0.00 H new ATOM 0 HA LEU A 91 3.407 -10.932 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.273 -9.779 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.958 -8.372 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 91 3.122 -7.705 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.050 -9.048 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.926 -9.838 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.118 -10.415 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.982 -7.725 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.093 -9.045 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.297 -7.433 -4.205 1.00 0.00 H new ATOM 1420 N VAL A 92 1.497 -10.394 -8.065 1.00 0.00 N ATOM 1421 CA VAL A 92 0.150 -10.069 -8.500 1.00 0.00 C ATOM 1422 C VAL A 92 -0.766 -9.889 -7.281 1.00 0.00 C ATOM 1423 O VAL A 92 -1.050 -10.844 -6.551 1.00 0.00 O ATOM 1424 CB VAL A 92 -0.363 -11.077 -9.552 1.00 0.00 C ATOM 1425 CG1 VAL A 92 0.601 -11.166 -10.741 1.00 0.00 C ATOM 1426 CG2 VAL A 92 -0.599 -12.489 -9.004 1.00 0.00 C ATOM 0 H VAL A 92 1.709 -11.390 -8.117 1.00 0.00 H new ATOM 0 HA VAL A 92 0.152 -9.111 -9.020 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.330 -10.686 -9.867 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.217 -11.882 -11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.692 -10.186 -11.210 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.580 -11.493 -10.392 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.958 -13.135 -9.805 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.336 -12.887 -8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.343 -12.451 -8.208 1.00 0.00 H new ATOM 1436 N HIS A 93 -1.206 -8.644 -7.048 1.00 0.00 N ATOM 1437 CA HIS A 93 -2.115 -8.272 -5.975 1.00 0.00 C ATOM 1438 C HIS A 93 -3.405 -7.704 -6.568 1.00 0.00 C ATOM 1439 O HIS A 93 -3.407 -6.611 -7.136 1.00 0.00 O ATOM 1440 CB HIS A 93 -1.418 -7.284 -5.024 1.00 0.00 C ATOM 1441 CG HIS A 93 -2.353 -6.570 -4.077 1.00 0.00 C ATOM 1442 ND1 HIS A 93 -3.338 -5.686 -4.468 1.00 0.00 N ATOM 1443 CD2 HIS A 93 -2.321 -6.592 -2.709 1.00 0.00 C ATOM 1444 CE1 HIS A 93 -3.896 -5.179 -3.357 1.00 0.00 C ATOM 1445 NE2 HIS A 93 -3.295 -5.712 -2.281 1.00 0.00 N ATOM 0 H HIS A 93 -0.925 -7.850 -7.624 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.386 -9.149 -5.388 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.672 -7.824 -4.441 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -0.884 -6.542 -5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -1.664 -7.181 -2.087 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -4.700 -4.458 -3.333 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.521 -5.502 -1.309 1.00 0.00 H new ATOM 1454 N VAL A 94 -4.524 -8.388 -6.345 1.00 0.00 N ATOM 1455 CA VAL A 94 -5.847 -7.885 -6.671 1.00 0.00 C ATOM 1456 C VAL A 94 -6.439 -7.211 -5.426 1.00 0.00 C ATOM 1457 O VAL A 94 -6.056 -7.502 -4.292 1.00 0.00 O ATOM 1458 CB VAL A 94 -6.688 -9.018 -7.289 1.00 0.00 C ATOM 1459 CG1 VAL A 94 -8.162 -8.636 -7.459 1.00 0.00 C ATOM 1460 CG2 VAL A 94 -6.116 -9.399 -8.663 1.00 0.00 C ATOM 0 H VAL A 94 -4.533 -9.319 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.822 -7.110 -7.437 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.638 -9.860 -6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.706 -9.472 -7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.590 -8.396 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.240 -7.768 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.714 -10.201 -9.096 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.142 -8.531 -9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.086 -9.736 -8.547 1.00 0.00 H new ATOM 1470 N GLN A 95 -7.296 -6.220 -5.655 1.00 0.00 N ATOM 1471 CA GLN A 95 -7.863 -5.325 -4.665 1.00 0.00 C ATOM 1472 C GLN A 95 -9.367 -5.289 -4.929 1.00 0.00 C ATOM 1473 O GLN A 95 -9.831 -4.560 -5.804 1.00 0.00 O ATOM 1474 CB GLN A 95 -7.230 -3.951 -4.876 1.00 0.00 C ATOM 1475 CG GLN A 95 -7.757 -2.871 -3.929 1.00 0.00 C ATOM 1476 CD GLN A 95 -6.952 -2.735 -2.641 1.00 0.00 C ATOM 1477 OE1 GLN A 95 -6.635 -3.724 -1.981 1.00 0.00 O ATOM 1478 NE2 GLN A 95 -6.601 -1.505 -2.286 1.00 0.00 N ATOM 0 H GLN A 95 -7.630 -6.012 -6.596 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.678 -5.641 -3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.151 -4.036 -4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.406 -3.635 -5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.757 -1.913 -4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.793 -3.096 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.882 -0.709 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.050 -1.356 -1.441 1.00 0.00 H new ATOM 1487 N LYS A 96 -10.119 -6.109 -4.201 1.00 0.00 N ATOM 1488 CA LYS A 96 -11.526 -6.348 -4.443 1.00 0.00 C ATOM 1489 C LYS A 96 -12.320 -5.771 -3.279 1.00 0.00 C ATOM 1490 O LYS A 96 -12.228 -6.296 -2.167 1.00 0.00 O ATOM 1491 CB LYS A 96 -11.733 -7.865 -4.538 1.00 0.00 C ATOM 1492 CG LYS A 96 -13.186 -8.220 -4.889 1.00 0.00 C ATOM 1493 CD LYS A 96 -13.610 -9.589 -4.340 1.00 0.00 C ATOM 1494 CE LYS A 96 -13.492 -9.746 -2.812 1.00 0.00 C ATOM 1495 NZ LYS A 96 -13.792 -8.502 -2.068 1.00 0.00 N ATOM 0 H LYS A 96 -9.752 -6.636 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.861 -5.876 -5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.065 -8.277 -5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.464 -8.329 -3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.850 -7.452 -4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.306 -8.215 -5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.644 -9.775 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.002 -10.358 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.172 -10.531 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.482 -10.074 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.110 -8.740 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.935 -7.915 -2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.542 -7.976 -2.560 1.00 0.00 H new ATOM 1509 N TRP A 97 -13.175 -4.778 -3.525 1.00 0.00 N ATOM 1510 CA TRP A 97 -14.187 -4.403 -2.551 1.00 0.00 C ATOM 1511 C TRP A 97 -15.431 -5.243 -2.839 1.00 0.00 C ATOM 1512 O TRP A 97 -15.397 -6.461 -2.626 1.00 0.00 O ATOM 1513 CB TRP A 97 -14.387 -2.881 -2.526 1.00 0.00 C ATOM 1514 CG TRP A 97 -14.344 -2.149 -3.832 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -15.397 -1.591 -4.467 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -13.171 -1.787 -4.623 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -14.961 -0.926 -5.587 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -13.599 -1.017 -5.743 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -11.785 -1.997 -4.488 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -12.708 -0.496 -6.690 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -10.879 -1.428 -5.397 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -11.333 -0.705 -6.512 1.00 0.00 C ATOM 0 H TRP A 97 -13.184 -4.227 -4.383 1.00 0.00 H new ATOM 0 HA TRP A 97 -13.886 -4.626 -1.528 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.351 -2.678 -2.060 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -13.623 -2.453 -1.877 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.425 -1.657 -4.144 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -15.576 -0.424 -6.227 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -11.414 -2.603 -3.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -13.074 0.057 -7.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -9.818 -1.548 -5.236 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -10.627 -0.312 -7.229 1.00 0.00 H new ATOM 1533 N ASN A 98 -16.504 -4.613 -3.318 1.00 0.00 N ATOM 1534 CA ASN A 98 -17.805 -5.231 -3.526 1.00 0.00 C ATOM 1535 C ASN A 98 -18.263 -5.097 -4.979 1.00 0.00 C ATOM 1536 O ASN A 98 -18.257 -6.083 -5.708 1.00 0.00 O ATOM 1537 CB ASN A 98 -18.825 -4.681 -2.515 1.00 0.00 C ATOM 1538 CG ASN A 98 -18.973 -3.162 -2.552 1.00 0.00 C ATOM 1539 OD1 ASN A 98 -18.008 -2.437 -2.341 1.00 0.00 O ATOM 1540 ND2 ASN A 98 -20.152 -2.657 -2.894 1.00 0.00 N ATOM 0 H ASN A 98 -16.486 -3.627 -3.579 1.00 0.00 H new ATOM 0 HA ASN A 98 -17.720 -6.302 -3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -19.796 -5.136 -2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -18.526 -4.983 -1.511 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -20.267 -1.648 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -20.943 -3.278 -3.065 1.00 0.00 H new ATOM 1547 N GLY A 99 -18.686 -3.905 -5.408 1.00 0.00 N ATOM 1548 CA GLY A 99 -19.315 -3.743 -6.708 1.00 0.00 C ATOM 1549 C GLY A 99 -18.288 -3.737 -7.835 1.00 0.00 C ATOM 1550 O GLY A 99 -18.632 -4.026 -8.977 1.00 0.00 O ATOM 0 H GLY A 99 -18.601 -3.043 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -20.028 -4.551 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.880 -2.811 -6.725 1.00 0.00 H new ATOM 1554 N GLN A 100 -17.044 -3.349 -7.532 1.00 0.00 N ATOM 1555 CA GLN A 100 -15.949 -3.364 -8.482 1.00 0.00 C ATOM 1556 C GLN A 100 -14.684 -3.834 -7.766 1.00 0.00 C ATOM 1557 O GLN A 100 -14.695 -4.119 -6.565 1.00 0.00 O ATOM 1558 CB GLN A 100 -15.726 -1.999 -9.166 1.00 0.00 C ATOM 1559 CG GLN A 100 -16.927 -1.042 -9.218 1.00 0.00 C ATOM 1560 CD GLN A 100 -17.041 -0.253 -7.919 1.00 0.00 C ATOM 1561 OE1 GLN A 100 -16.188 0.584 -7.637 1.00 0.00 O ATOM 1562 NE2 GLN A 100 -18.024 -0.542 -7.071 1.00 0.00 N ATOM 0 H GLN A 100 -16.776 -3.013 -6.607 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.205 -4.056 -9.284 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.910 -1.491 -8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.394 -2.182 -10.188 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.816 -0.356 -10.058 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.843 -1.608 -9.388 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.725 -1.240 -7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.077 -0.066 -6.171 1.00 0.00 H new ATOM 1571 N GLU A 101 -13.600 -3.890 -8.534 1.00 0.00 N ATOM 1572 CA GLU A 101 -12.308 -4.412 -8.155 1.00 0.00 C ATOM 1573 C GLU A 101 -11.275 -3.618 -8.951 1.00 0.00 C ATOM 1574 O GLU A 101 -11.604 -3.059 -10.005 1.00 0.00 O ATOM 1575 CB GLU A 101 -12.303 -5.906 -8.519 1.00 0.00 C ATOM 1576 CG GLU A 101 -10.972 -6.629 -8.301 1.00 0.00 C ATOM 1577 CD GLU A 101 -11.113 -8.104 -8.644 1.00 0.00 C ATOM 1578 OE1 GLU A 101 -11.707 -8.821 -7.811 1.00 0.00 O ATOM 1579 OE2 GLU A 101 -10.637 -8.476 -9.736 1.00 0.00 O ATOM 0 H GLU A 101 -13.610 -3.549 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.084 -4.318 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.071 -6.409 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.586 -6.009 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.198 -6.176 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.655 -6.518 -7.264 1.00 0.00 H new ATOM 1586 N THR A 102 -10.039 -3.567 -8.457 1.00 0.00 N ATOM 1587 CA THR A 102 -8.887 -3.226 -9.271 1.00 0.00 C ATOM 1588 C THR A 102 -7.820 -4.296 -9.103 1.00 0.00 C ATOM 1589 O THR A 102 -7.753 -4.983 -8.086 1.00 0.00 O ATOM 1590 CB THR A 102 -8.369 -1.810 -8.962 1.00 0.00 C ATOM 1591 OG1 THR A 102 -7.336 -1.443 -9.846 1.00 0.00 O ATOM 1592 CG2 THR A 102 -7.785 -1.644 -7.569 1.00 0.00 C ATOM 0 H THR A 102 -9.814 -3.762 -7.481 1.00 0.00 H new ATOM 0 HA THR A 102 -9.181 -3.203 -10.320 1.00 0.00 H new ATOM 0 HB THR A 102 -9.256 -1.185 -9.062 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.539 -1.981 -9.659 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.445 -0.617 -7.437 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.548 -1.872 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.942 -2.324 -7.444 1.00 0.00 H new ATOM 1600 N SER A 103 -6.963 -4.401 -10.109 1.00 0.00 N ATOM 1601 CA SER A 103 -5.707 -5.112 -10.033 1.00 0.00 C ATOM 1602 C SER A 103 -4.632 -4.074 -9.722 1.00 0.00 C ATOM 1603 O SER A 103 -4.792 -2.910 -10.106 1.00 0.00 O ATOM 1604 CB SER A 103 -5.462 -5.812 -11.371 1.00 0.00 C ATOM 1605 OG SER A 103 -5.548 -4.885 -12.437 1.00 0.00 O ATOM 0 H SER A 103 -7.132 -3.980 -11.023 1.00 0.00 H new ATOM 0 HA SER A 103 -5.702 -5.878 -9.257 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.478 -6.282 -11.368 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.194 -6.607 -11.512 1.00 0.00 H new ATOM 0 HG SER A 103 -5.388 -5.347 -13.286 1.00 0.00 H new ATOM 1611 N LEU A 104 -3.561 -4.482 -9.035 1.00 0.00 N ATOM 1612 CA LEU A 104 -2.324 -3.721 -8.942 1.00 0.00 C ATOM 1613 C LEU A 104 -1.162 -4.691 -8.731 1.00 0.00 C ATOM 1614 O LEU A 104 -0.991 -5.227 -7.640 1.00 0.00 O ATOM 1615 CB LEU A 104 -2.424 -2.563 -7.933 1.00 0.00 C ATOM 1616 CG LEU A 104 -2.863 -2.927 -6.504 1.00 0.00 C ATOM 1617 CD1 LEU A 104 -1.680 -2.911 -5.526 1.00 0.00 C ATOM 1618 CD2 LEU A 104 -3.908 -1.919 -6.008 1.00 0.00 C ATOM 0 H LEU A 104 -3.534 -5.364 -8.523 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.125 -3.201 -9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.450 -2.076 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.125 -1.828 -8.327 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.280 -3.933 -6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.030 -3.173 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.931 -3.634 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.238 -1.915 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.215 -2.182 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.477 -0.918 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.776 -1.940 -6.667 1.00 0.00 H new ATOM 1630 N VAL A 105 -0.403 -4.982 -9.792 1.00 0.00 N ATOM 1631 CA VAL A 105 0.603 -6.040 -9.785 1.00 0.00 C ATOM 1632 C VAL A 105 2.001 -5.419 -9.801 1.00 0.00 C ATOM 1633 O VAL A 105 2.262 -4.532 -10.615 1.00 0.00 O ATOM 1634 CB VAL A 105 0.350 -7.052 -10.921 1.00 0.00 C ATOM 1635 CG1 VAL A 105 -1.110 -7.521 -10.906 1.00 0.00 C ATOM 1636 CG2 VAL A 105 0.623 -6.533 -12.332 1.00 0.00 C ATOM 0 H VAL A 105 -0.472 -4.487 -10.681 1.00 0.00 H new ATOM 0 HA VAL A 105 0.529 -6.620 -8.865 1.00 0.00 H new ATOM 0 HB VAL A 105 1.059 -7.854 -10.715 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.271 -8.235 -11.714 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.329 -7.999 -9.951 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.769 -6.664 -11.042 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.415 -7.321 -13.056 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.018 -5.675 -12.534 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.668 -6.233 -12.413 1.00 0.00 H new ATOM 1646 N ARG A 106 2.869 -5.843 -8.872 1.00 0.00 N ATOM 1647 CA ARG A 106 4.246 -5.380 -8.759 1.00 0.00 C ATOM 1648 C ARG A 106 5.145 -6.354 -9.523 1.00 0.00 C ATOM 1649 O ARG A 106 5.515 -7.401 -8.985 1.00 0.00 O ATOM 1650 CB ARG A 106 4.697 -5.310 -7.288 1.00 0.00 C ATOM 1651 CG ARG A 106 3.859 -4.422 -6.362 1.00 0.00 C ATOM 1652 CD ARG A 106 4.483 -4.445 -4.957 1.00 0.00 C ATOM 1653 NE ARG A 106 3.544 -4.034 -3.901 1.00 0.00 N ATOM 1654 CZ ARG A 106 3.219 -2.771 -3.591 1.00 0.00 C ATOM 1655 NH1 ARG A 106 3.667 -1.763 -4.345 1.00 0.00 N ATOM 1656 NH2 ARG A 106 2.448 -2.529 -2.526 1.00 0.00 N ATOM 0 H ARG A 106 2.620 -6.534 -8.164 1.00 0.00 H new ATOM 0 HA ARG A 106 4.317 -4.376 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.699 -6.322 -6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.727 -4.955 -7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.827 -3.402 -6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.830 -4.781 -6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.844 -5.451 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.350 -3.785 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 106 3.102 -4.775 -3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.256 -1.955 -5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.420 -0.802 -4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.110 -3.303 -1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.197 -1.570 -2.285 1.00 0.00 H new ATOM 1670 N GLU A 107 5.521 -6.001 -10.752 1.00 0.00 N ATOM 1671 CA GLU A 107 6.571 -6.702 -11.476 1.00 0.00 C ATOM 1672 C GLU A 107 7.855 -5.890 -11.293 1.00 0.00 C ATOM 1673 O GLU A 107 7.801 -4.665 -11.238 1.00 0.00 O ATOM 1674 CB GLU A 107 6.140 -6.873 -12.943 1.00 0.00 C ATOM 1675 CG GLU A 107 7.194 -7.526 -13.850 1.00 0.00 C ATOM 1676 CD GLU A 107 7.705 -8.849 -13.303 1.00 0.00 C ATOM 1677 OE1 GLU A 107 8.697 -8.789 -12.544 1.00 0.00 O ATOM 1678 OE2 GLU A 107 7.121 -9.902 -13.617 1.00 0.00 O ATOM 0 H GLU A 107 5.106 -5.225 -11.268 1.00 0.00 H new ATOM 0 HA GLU A 107 6.753 -7.709 -11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.232 -7.475 -12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.887 -5.894 -13.350 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.765 -7.688 -14.839 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.033 -6.842 -13.975 1.00 0.00 H new ATOM 1685 N MET A 108 9.004 -6.557 -11.172 1.00 0.00 N ATOM 1686 CA MET A 108 10.315 -5.938 -11.224 1.00 0.00 C ATOM 1687 C MET A 108 11.222 -6.814 -12.072 1.00 0.00 C ATOM 1688 O MET A 108 11.542 -7.946 -11.692 1.00 0.00 O ATOM 1689 CB MET A 108 10.921 -5.713 -9.829 1.00 0.00 C ATOM 1690 CG MET A 108 12.313 -5.058 -9.901 1.00 0.00 C ATOM 1691 SD MET A 108 13.736 -6.156 -10.183 1.00 0.00 S ATOM 1692 CE MET A 108 15.065 -4.930 -10.196 1.00 0.00 C ATOM 0 H MET A 108 9.042 -7.567 -11.032 1.00 0.00 H new ATOM 0 HA MET A 108 10.214 -4.948 -11.669 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.254 -5.082 -9.242 1.00 0.00 H new ATOM 0 HB3 MET A 108 10.997 -6.668 -9.309 1.00 0.00 H new ATOM 0 HG2 MET A 108 12.296 -4.316 -10.699 1.00 0.00 H new ATOM 0 HG3 MET A 108 12.482 -4.520 -8.968 1.00 0.00 H new ATOM 0 HE1 MET A 108 15.927 -5.333 -10.727 1.00 0.00 H new ATOM 0 HE2 MET A 108 14.721 -4.025 -10.697 1.00 0.00 H new ATOM 0 HE3 MET A 108 15.350 -4.691 -9.171 1.00 0.00 H new ATOM 1702 N VAL A 109 11.725 -6.219 -13.147 1.00 0.00 N ATOM 1703 CA VAL A 109 12.881 -6.666 -13.900 1.00 0.00 C ATOM 1704 C VAL A 109 13.805 -5.450 -13.976 1.00 0.00 C ATOM 1705 O VAL A 109 13.559 -4.470 -13.264 1.00 0.00 O ATOM 1706 CB VAL A 109 12.441 -7.214 -15.271 1.00 0.00 C ATOM 1707 CG1 VAL A 109 11.604 -8.485 -15.087 1.00 0.00 C ATOM 1708 CG2 VAL A 109 11.624 -6.197 -16.077 1.00 0.00 C ATOM 0 H VAL A 109 11.314 -5.369 -13.533 1.00 0.00 H new ATOM 0 HA VAL A 109 13.412 -7.496 -13.434 1.00 0.00 H new ATOM 0 HB VAL A 109 13.352 -7.432 -15.828 1.00 0.00 H new ATOM 0 HG11 VAL A 109 11.298 -8.864 -16.062 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.198 -9.241 -14.574 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.719 -8.255 -14.493 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.340 -6.635 -17.034 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.726 -5.928 -15.520 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.224 -5.304 -16.251 1.00 0.00 H new ATOM 1718 N ASP A 110 14.843 -5.506 -14.815 1.00 0.00 N ATOM 1719 CA ASP A 110 15.705 -4.363 -15.081 1.00 0.00 C ATOM 1720 C ASP A 110 16.201 -3.778 -13.746 1.00 0.00 C ATOM 1721 O ASP A 110 16.833 -4.492 -12.968 1.00 0.00 O ATOM 1722 CB ASP A 110 14.925 -3.402 -15.997 1.00 0.00 C ATOM 1723 CG ASP A 110 15.680 -2.125 -16.318 1.00 0.00 C ATOM 1724 OD1 ASP A 110 16.586 -2.186 -17.172 1.00 0.00 O ATOM 1725 OD2 ASP A 110 15.338 -1.123 -15.649 1.00 0.00 O ATOM 0 H ASP A 110 15.105 -6.348 -15.327 1.00 0.00 H new ATOM 0 HA ASP A 110 16.619 -4.621 -15.616 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.683 -3.916 -16.928 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.979 -3.145 -15.520 1.00 0.00 H new ATOM 1730 N GLY A 111 15.846 -2.533 -13.433 1.00 0.00 N ATOM 1731 CA GLY A 111 16.119 -1.855 -12.180 1.00 0.00 C ATOM 1732 C GLY A 111 14.887 -1.065 -11.750 1.00 0.00 C ATOM 1733 O GLY A 111 15.012 -0.103 -10.993 1.00 0.00 O ATOM 0 H GLY A 111 15.332 -1.943 -14.087 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.385 -2.581 -11.412 1.00 0.00 H new ATOM 0 HA3 GLY A 111 16.972 -1.186 -12.295 1.00 0.00 H new ATOM 1737 N LYS A 112 13.699 -1.463 -12.225 1.00 0.00 N ATOM 1738 CA LYS A 112 12.461 -0.738 -11.993 1.00 0.00 C ATOM 1739 C LYS A 112 11.364 -1.721 -11.585 1.00 0.00 C ATOM 1740 O LYS A 112 11.153 -2.730 -12.258 1.00 0.00 O ATOM 1741 CB LYS A 112 12.044 0.047 -13.247 1.00 0.00 C ATOM 1742 CG LYS A 112 12.960 1.239 -13.583 1.00 0.00 C ATOM 1743 CD LYS A 112 12.174 2.267 -14.419 1.00 0.00 C ATOM 1744 CE LYS A 112 12.953 3.546 -14.764 1.00 0.00 C ATOM 1745 NZ LYS A 112 12.073 4.567 -15.390 1.00 0.00 N ATOM 0 H LYS A 112 13.579 -2.307 -12.786 1.00 0.00 H new ATOM 0 HA LYS A 112 12.617 -0.020 -11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.026 -0.634 -14.098 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.026 0.413 -13.110 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.325 1.702 -12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.834 0.896 -14.136 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.854 1.792 -15.346 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.271 2.544 -13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.401 3.956 -13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.771 3.303 -15.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.248 5.493 -14.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.276 4.623 -16.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.078 4.300 -15.250 1.00 0.00 H new ATOM 1759 N LEU A 113 10.670 -1.422 -10.484 1.00 0.00 N ATOM 1760 CA LEU A 113 9.455 -2.107 -10.076 1.00 0.00 C ATOM 1761 C LEU A 113 8.294 -1.395 -10.759 1.00 0.00 C ATOM 1762 O LEU A 113 7.924 -0.287 -10.372 1.00 0.00 O ATOM 1763 CB LEU A 113 9.358 -2.135 -8.544 1.00 0.00 C ATOM 1764 CG LEU A 113 8.157 -2.887 -7.936 1.00 0.00 C ATOM 1765 CD1 LEU A 113 8.448 -3.151 -6.453 1.00 0.00 C ATOM 1766 CD2 LEU A 113 6.844 -2.102 -8.029 1.00 0.00 C ATOM 0 H LEU A 113 10.949 -0.680 -9.842 1.00 0.00 H new ATOM 0 HA LEU A 113 9.443 -3.153 -10.382 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.272 -2.583 -8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.330 -1.106 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 113 8.033 -3.808 -8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.608 -3.683 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.350 -3.756 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.593 -2.202 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.039 -2.686 -7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.946 -1.158 -7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.612 -1.903 -9.075 1.00 0.00 H new ATOM 1778 N ILE A 114 7.745 -2.028 -11.791 1.00 0.00 N ATOM 1779 CA ILE A 114 6.560 -1.593 -12.500 1.00 0.00 C ATOM 1780 C ILE A 114 5.368 -2.073 -11.674 1.00 0.00 C ATOM 1781 O ILE A 114 5.031 -3.259 -11.696 1.00 0.00 O ATOM 1782 CB ILE A 114 6.561 -2.187 -13.925 1.00 0.00 C ATOM 1783 CG1 ILE A 114 7.801 -1.728 -14.720 1.00 0.00 C ATOM 1784 CG2 ILE A 114 5.280 -1.776 -14.669 1.00 0.00 C ATOM 1785 CD1 ILE A 114 8.063 -2.603 -15.950 1.00 0.00 C ATOM 0 H ILE A 114 8.134 -2.893 -12.167 1.00 0.00 H new ATOM 0 HA ILE A 114 6.518 -0.510 -12.616 1.00 0.00 H new ATOM 0 HB ILE A 114 6.596 -3.273 -13.838 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.664 -0.694 -15.036 1.00 0.00 H new ATOM 0 HG13 ILE A 114 8.675 -1.750 -14.069 1.00 0.00 H new ATOM 0 HG21 ILE A 114 5.290 -2.200 -15.673 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.410 -2.147 -14.127 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.230 -0.689 -14.735 1.00 0.00 H new ATOM 0 HD11 ILE A 114 8.946 -2.238 -16.475 1.00 0.00 H new ATOM 0 HD12 ILE A 114 8.228 -3.633 -15.635 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.202 -2.561 -16.617 1.00 0.00 H new ATOM 1797 N LEU A 115 4.734 -1.159 -10.934 1.00 0.00 N ATOM 1798 CA LEU A 115 3.439 -1.409 -10.330 1.00 0.00 C ATOM 1799 C LEU A 115 2.413 -0.942 -11.356 1.00 0.00 C ATOM 1800 O LEU A 115 2.207 0.260 -11.523 1.00 0.00 O ATOM 1801 CB LEU A 115 3.344 -0.714 -8.960 1.00 0.00 C ATOM 1802 CG LEU A 115 2.058 -0.966 -8.148 1.00 0.00 C ATOM 1803 CD1 LEU A 115 0.955 0.036 -8.495 1.00 0.00 C ATOM 1804 CD2 LEU A 115 1.500 -2.387 -8.281 1.00 0.00 C ATOM 0 H LEU A 115 5.109 -0.230 -10.742 1.00 0.00 H new ATOM 0 HA LEU A 115 3.261 -2.460 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.195 -1.030 -8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.445 0.360 -9.115 1.00 0.00 H new ATOM 0 HG LEU A 115 2.367 -0.832 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.068 -0.179 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.301 1.047 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.710 -0.045 -9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.596 -2.481 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.263 -2.589 -9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.244 -3.104 -7.933 1.00 0.00 H new ATOM 1816 N THR A 116 1.814 -1.875 -12.097 1.00 0.00 N ATOM 1817 CA THR A 116 0.763 -1.547 -13.053 1.00 0.00 C ATOM 1818 C THR A 116 -0.573 -1.852 -12.380 1.00 0.00 C ATOM 1819 O THR A 116 -0.710 -2.907 -11.756 1.00 0.00 O ATOM 1820 CB THR A 116 0.988 -2.252 -14.400 1.00 0.00 C ATOM 1821 OG1 THR A 116 0.042 -1.780 -15.331 1.00 0.00 O ATOM 1822 CG2 THR A 116 0.886 -3.773 -14.343 1.00 0.00 C ATOM 0 H THR A 116 2.042 -2.868 -12.051 1.00 0.00 H new ATOM 0 HA THR A 116 0.772 -0.489 -13.316 1.00 0.00 H new ATOM 0 HB THR A 116 2.011 -2.017 -14.693 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.181 -2.225 -16.193 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.058 -4.187 -15.337 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.635 -4.162 -13.653 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.108 -4.058 -13.999 1.00 0.00 H new ATOM 1830 N LEU A 117 -1.510 -0.899 -12.435 1.00 0.00 N ATOM 1831 CA LEU A 117 -2.798 -0.949 -11.766 1.00 0.00 C ATOM 1832 C LEU A 117 -3.917 -0.704 -12.779 1.00 0.00 C ATOM 1833 O LEU A 117 -3.891 0.281 -13.520 1.00 0.00 O ATOM 1834 CB LEU A 117 -2.844 -0.011 -10.539 1.00 0.00 C ATOM 1835 CG LEU A 117 -2.539 1.479 -10.788 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -3.242 2.370 -9.765 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -1.052 1.798 -10.640 1.00 0.00 C ATOM 0 H LEU A 117 -1.378 -0.041 -12.970 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.954 -1.947 -11.356 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.836 -0.084 -10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.134 -0.384 -9.800 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.884 1.671 -11.804 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.006 3.414 -9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.320 2.222 -9.833 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.903 2.110 -8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.887 2.860 -10.825 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.726 1.551 -9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.481 1.212 -11.360 1.00 0.00 H new ATOM 1849 N THR A 118 -4.882 -1.626 -12.822 1.00 0.00 N ATOM 1850 CA THR A 118 -6.000 -1.579 -13.749 1.00 0.00 C ATOM 1851 C THR A 118 -7.292 -1.820 -12.975 1.00 0.00 C ATOM 1852 O THR A 118 -7.507 -2.911 -12.443 1.00 0.00 O ATOM 1853 CB THR A 118 -5.780 -2.578 -14.894 1.00 0.00 C ATOM 1854 OG1 THR A 118 -4.657 -2.172 -15.646 1.00 0.00 O ATOM 1855 CG2 THR A 118 -6.983 -2.643 -15.837 1.00 0.00 C ATOM 0 H THR A 118 -4.903 -2.436 -12.202 1.00 0.00 H new ATOM 0 HA THR A 118 -6.077 -0.597 -14.216 1.00 0.00 H new ATOM 0 HB THR A 118 -5.633 -3.563 -14.450 1.00 0.00 H new ATOM 0 HG1 THR A 118 -4.508 -2.805 -16.379 1.00 0.00 H new ATOM 0 HG21 THR A 118 -6.784 -3.362 -16.632 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.866 -2.954 -15.279 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.157 -1.659 -16.273 1.00 0.00 H new ATOM 1863 N HIS A 119 -8.132 -0.783 -12.927 1.00 0.00 N ATOM 1864 CA HIS A 119 -9.453 -0.763 -12.329 1.00 0.00 C ATOM 1865 C HIS A 119 -10.462 -0.979 -13.445 1.00 0.00 C ATOM 1866 O HIS A 119 -10.267 -0.479 -14.551 1.00 0.00 O ATOM 1867 CB HIS A 119 -9.677 0.601 -11.654 1.00 0.00 C ATOM 1868 CG HIS A 119 -11.111 0.911 -11.280 1.00 0.00 C ATOM 1869 ND1 HIS A 119 -11.878 1.942 -11.798 1.00 0.00 N ATOM 1870 CD2 HIS A 119 -11.879 0.232 -10.372 1.00 0.00 C ATOM 1871 CE1 HIS A 119 -13.092 1.882 -11.218 1.00 0.00 C ATOM 1872 NE2 HIS A 119 -13.117 0.849 -10.354 1.00 0.00 N ATOM 0 H HIS A 119 -7.884 0.119 -13.333 1.00 0.00 H new ATOM 0 HA HIS A 119 -9.561 -1.542 -11.574 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -9.066 0.646 -10.752 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -9.316 1.382 -12.323 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.576 -0.621 -9.783 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -13.914 2.555 -11.414 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -13.914 0.569 -9.783 1.00 0.00 H new ATOM 1881 N GLY A 120 -11.575 -1.651 -13.148 1.00 0.00 N ATOM 1882 CA GLY A 120 -12.710 -1.676 -14.055 1.00 0.00 C ATOM 1883 C GLY A 120 -13.170 -0.244 -14.343 1.00 0.00 C ATOM 1884 O GLY A 120 -13.954 0.296 -13.566 1.00 0.00 O ATOM 0 H GLY A 120 -11.709 -2.182 -12.288 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.434 -2.174 -14.985 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.526 -2.250 -13.616 1.00 0.00 H new ATOM 1888 N THR A 121 -12.635 0.354 -15.417 1.00 0.00 N ATOM 1889 CA THR A 121 -12.884 1.669 -16.021 1.00 0.00 C ATOM 1890 C THR A 121 -11.572 2.388 -16.391 1.00 0.00 C ATOM 1891 O THR A 121 -11.587 3.197 -17.315 1.00 0.00 O ATOM 1892 CB THR A 121 -13.837 2.582 -15.211 1.00 0.00 C ATOM 1893 OG1 THR A 121 -15.130 2.017 -15.158 1.00 0.00 O ATOM 1894 CG2 THR A 121 -14.030 3.964 -15.841 1.00 0.00 C ATOM 0 H THR A 121 -11.922 -0.141 -15.953 1.00 0.00 H new ATOM 0 HA THR A 121 -13.423 1.456 -16.944 1.00 0.00 H new ATOM 0 HB THR A 121 -13.371 2.677 -14.230 1.00 0.00 H new ATOM 0 HG1 THR A 121 -15.126 1.246 -14.552 1.00 0.00 H new ATOM 0 HG21 THR A 121 -14.708 4.553 -15.224 1.00 0.00 H new ATOM 0 HG22 THR A 121 -13.067 4.471 -15.908 1.00 0.00 H new ATOM 0 HG23 THR A 121 -14.452 3.853 -16.840 1.00 0.00 H new ATOM 1902 N ALA A 122 -10.446 2.137 -15.705 1.00 0.00 N ATOM 1903 CA ALA A 122 -9.242 2.956 -15.882 1.00 0.00 C ATOM 1904 C ALA A 122 -7.954 2.158 -15.661 1.00 0.00 C ATOM 1905 O ALA A 122 -7.953 1.175 -14.924 1.00 0.00 O ATOM 1906 CB ALA A 122 -9.299 4.165 -14.941 1.00 0.00 C ATOM 0 H ALA A 122 -10.346 1.380 -15.029 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.222 3.298 -16.917 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -8.404 4.772 -15.074 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.181 4.763 -15.171 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.353 3.820 -13.908 1.00 0.00 H new ATOM 1912 N VAL A 123 -6.862 2.600 -16.296 1.00 0.00 N ATOM 1913 CA VAL A 123 -5.539 1.979 -16.268 1.00 0.00 C ATOM 1914 C VAL A 123 -4.532 3.034 -15.803 1.00 0.00 C ATOM 1915 O VAL A 123 -4.669 4.204 -16.155 1.00 0.00 O ATOM 1916 CB VAL A 123 -5.173 1.476 -17.678 1.00 0.00 C ATOM 1917 CG1 VAL A 123 -3.746 0.907 -17.701 1.00 0.00 C ATOM 1918 CG2 VAL A 123 -6.137 0.393 -18.183 1.00 0.00 C ATOM 0 H VAL A 123 -6.882 3.442 -16.871 1.00 0.00 H new ATOM 0 HA VAL A 123 -5.528 1.128 -15.587 1.00 0.00 H new ATOM 0 HB VAL A 123 -5.246 2.341 -18.337 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -3.510 0.558 -18.706 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.039 1.685 -17.411 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -3.675 0.074 -17.002 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -5.835 0.073 -19.180 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -6.113 -0.460 -17.505 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -7.149 0.796 -18.223 1.00 0.00 H new ATOM 1928 N CYS A 124 -3.519 2.644 -15.024 1.00 0.00 N ATOM 1929 CA CYS A 124 -2.458 3.533 -14.568 1.00 0.00 C ATOM 1930 C CYS A 124 -1.243 2.688 -14.180 1.00 0.00 C ATOM 1931 O CYS A 124 -1.395 1.517 -13.859 1.00 0.00 O ATOM 1932 CB CYS A 124 -3.005 4.360 -13.390 1.00 0.00 C ATOM 1933 SG CYS A 124 -1.701 5.114 -12.383 1.00 0.00 S ATOM 0 H CYS A 124 -3.416 1.686 -14.690 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.138 4.224 -15.348 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -3.656 5.144 -13.776 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -3.619 3.718 -12.758 1.00 0.00 H new ATOM 0 HG CYS A 124 -2.207 5.534 -11.262 1.00 0.00 H new ATOM 1939 N THR A 125 -0.041 3.273 -14.153 1.00 0.00 N ATOM 1940 CA THR A 125 1.100 2.650 -13.493 1.00 0.00 C ATOM 1941 C THR A 125 1.713 3.621 -12.485 1.00 0.00 C ATOM 1942 O THR A 125 1.499 4.835 -12.582 1.00 0.00 O ATOM 1943 CB THR A 125 2.106 2.117 -14.527 1.00 0.00 C ATOM 1944 OG1 THR A 125 3.144 1.407 -13.884 1.00 0.00 O ATOM 1945 CG2 THR A 125 2.735 3.229 -15.372 1.00 0.00 C ATOM 0 H THR A 125 0.162 4.176 -14.581 1.00 0.00 H new ATOM 0 HA THR A 125 0.768 1.779 -12.927 1.00 0.00 H new ATOM 0 HB THR A 125 1.541 1.461 -15.189 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.804 1.010 -13.055 1.00 0.00 H new ATOM 0 HG21 THR A 125 3.436 2.793 -16.084 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.953 3.761 -15.913 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.264 3.925 -14.721 1.00 0.00 H new ATOM 1953 N ARG A 126 2.440 3.073 -11.511 1.00 0.00 N ATOM 1954 CA ARG A 126 3.557 3.720 -10.856 1.00 0.00 C ATOM 1955 C ARG A 126 4.768 2.836 -11.116 1.00 0.00 C ATOM 1956 O ARG A 126 4.715 1.634 -10.862 1.00 0.00 O ATOM 1957 CB ARG A 126 3.358 3.810 -9.340 1.00 0.00 C ATOM 1958 CG ARG A 126 2.551 5.039 -8.927 1.00 0.00 C ATOM 1959 CD ARG A 126 2.666 5.242 -7.412 1.00 0.00 C ATOM 1960 NE ARG A 126 2.201 6.582 -7.017 1.00 0.00 N ATOM 1961 CZ ARG A 126 2.910 7.474 -6.304 1.00 0.00 C ATOM 1962 NH1 ARG A 126 4.024 7.107 -5.656 1.00 0.00 N ATOM 1963 NH2 ARG A 126 2.462 8.731 -6.233 1.00 0.00 N ATOM 0 H ARG A 126 2.255 2.137 -11.151 1.00 0.00 H new ATOM 0 HA ARG A 126 3.668 4.734 -11.239 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.850 2.911 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.331 3.837 -8.850 1.00 0.00 H new ATOM 0 HG2 ARG A 126 2.918 5.921 -9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 126 1.506 4.912 -9.209 1.00 0.00 H new ATOM 0 HD2 ARG A 126 2.078 4.483 -6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 126 3.702 5.108 -7.102 1.00 0.00 H new ATOM 0 HE ARG A 126 1.263 6.856 -7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 126 4.344 6.140 -5.700 1.00 0.00 H new ATOM 0 HH12 ARG A 126 4.552 7.795 -5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 126 1.601 8.994 -6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.981 9.428 -5.699 1.00 0.00 H new ATOM 1977 N THR A 127 5.860 3.436 -11.563 1.00 0.00 N ATOM 1978 CA THR A 127 7.131 2.772 -11.707 1.00 0.00 C ATOM 1979 C THR A 127 8.053 3.319 -10.620 1.00 0.00 C ATOM 1980 O THR A 127 8.217 4.538 -10.493 1.00 0.00 O ATOM 1981 CB THR A 127 7.673 3.016 -13.112 1.00 0.00 C ATOM 1982 OG1 THR A 127 6.653 2.883 -14.078 1.00 0.00 O ATOM 1983 CG2 THR A 127 8.739 1.981 -13.441 1.00 0.00 C ATOM 0 H THR A 127 5.880 4.418 -11.839 1.00 0.00 H new ATOM 0 HA THR A 127 7.046 1.692 -11.587 1.00 0.00 H new ATOM 0 HB THR A 127 8.081 4.026 -13.134 1.00 0.00 H new ATOM 0 HG1 THR A 127 7.024 3.046 -14.970 1.00 0.00 H new ATOM 0 HG21 THR A 127 9.122 2.160 -14.445 1.00 0.00 H new ATOM 0 HG22 THR A 127 9.555 2.058 -12.722 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.304 0.983 -13.391 1.00 0.00 H new ATOM 1991 N TYR A 128 8.607 2.408 -9.820 1.00 0.00 N ATOM 1992 CA TYR A 128 9.470 2.681 -8.684 1.00 0.00 C ATOM 1993 C TYR A 128 10.884 2.178 -8.974 1.00 0.00 C ATOM 1994 O TYR A 128 11.050 1.229 -9.736 1.00 0.00 O ATOM 1995 CB TYR A 128 8.906 1.952 -7.459 1.00 0.00 C ATOM 1996 CG TYR A 128 7.827 2.704 -6.716 1.00 0.00 C ATOM 1997 CD1 TYR A 128 8.187 3.573 -5.671 1.00 0.00 C ATOM 1998 CD2 TYR A 128 6.468 2.513 -7.029 1.00 0.00 C ATOM 1999 CE1 TYR A 128 7.205 4.298 -4.984 1.00 0.00 C ATOM 2000 CE2 TYR A 128 5.480 3.179 -6.286 1.00 0.00 C ATOM 2001 CZ TYR A 128 5.850 4.085 -5.277 1.00 0.00 C ATOM 2002 OH TYR A 128 4.895 4.760 -4.579 1.00 0.00 O ATOM 0 H TYR A 128 8.454 1.409 -9.959 1.00 0.00 H new ATOM 0 HA TYR A 128 9.510 3.754 -8.497 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.505 0.990 -7.779 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.724 1.743 -6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 128 9.226 3.682 -5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.186 1.856 -7.838 1.00 0.00 H new ATOM 0 HE1 TYR A 128 7.490 5.018 -4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 128 4.435 2.995 -6.490 1.00 0.00 H new ATOM 0 HH TYR A 128 4.008 4.500 -4.904 1.00 0.00 H new ATOM 2012 N GLU A 129 11.882 2.777 -8.322 1.00 0.00 N ATOM 2013 CA GLU A 129 13.285 2.381 -8.362 1.00 0.00 C ATOM 2014 C GLU A 129 13.717 2.089 -6.930 1.00 0.00 C ATOM 2015 O GLU A 129 13.345 2.831 -6.018 1.00 0.00 O ATOM 2016 CB GLU A 129 14.154 3.505 -8.941 1.00 0.00 C ATOM 2017 CG GLU A 129 13.515 4.115 -10.187 1.00 0.00 C ATOM 2018 CD GLU A 129 14.390 5.181 -10.824 1.00 0.00 C ATOM 2019 OE1 GLU A 129 14.618 6.197 -10.127 1.00 0.00 O ATOM 2020 OE2 GLU A 129 14.747 5.004 -12.005 1.00 0.00 O ATOM 0 H GLU A 129 11.723 3.589 -7.725 1.00 0.00 H new ATOM 0 HA GLU A 129 13.406 1.504 -8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 129 14.299 4.280 -8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 129 15.140 3.113 -9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 129 13.319 3.327 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.552 4.550 -9.922 1.00 0.00 H new ATOM 2027 N LYS A 130 14.468 1.008 -6.717 1.00 0.00 N ATOM 2028 CA LYS A 130 14.909 0.635 -5.384 1.00 0.00 C ATOM 2029 C LYS A 130 16.042 1.561 -4.947 1.00 0.00 C ATOM 2030 O LYS A 130 17.051 1.650 -5.641 1.00 0.00 O ATOM 2031 CB LYS A 130 15.344 -0.835 -5.358 1.00 0.00 C ATOM 2032 CG LYS A 130 15.553 -1.292 -3.910 1.00 0.00 C ATOM 2033 CD LYS A 130 15.558 -2.819 -3.804 1.00 0.00 C ATOM 2034 CE LYS A 130 15.750 -3.202 -2.332 1.00 0.00 C ATOM 2035 NZ LYS A 130 15.509 -4.634 -2.090 1.00 0.00 N ATOM 0 H LYS A 130 14.781 0.378 -7.456 1.00 0.00 H new ATOM 0 HA LYS A 130 14.083 0.744 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 130 14.588 -1.456 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 130 16.267 -0.960 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 130 16.496 -0.896 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 130 14.763 -0.884 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 130 14.622 -3.228 -4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 130 16.359 -3.239 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 130 16.764 -2.949 -2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 130 15.072 -2.613 -1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.416 -4.803 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 14.633 -4.925 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 16.307 -5.188 -2.461 1.00 0.00 H new ATOM 2049 N GLN A 131 15.894 2.210 -3.787 1.00 0.00 N ATOM 2050 CA GLN A 131 16.977 2.953 -3.146 1.00 0.00 C ATOM 2051 C GLN A 131 17.486 2.228 -1.892 1.00 0.00 C ATOM 2052 O GLN A 131 18.449 2.668 -1.272 1.00 0.00 O ATOM 2053 CB GLN A 131 16.559 4.408 -2.889 1.00 0.00 C ATOM 2054 CG GLN A 131 15.516 4.561 -1.774 1.00 0.00 C ATOM 2055 CD GLN A 131 14.984 5.985 -1.627 1.00 0.00 C ATOM 2056 OE1 GLN A 131 13.856 6.182 -1.194 1.00 0.00 O ATOM 2057 NE2 GLN A 131 15.774 6.998 -1.973 1.00 0.00 N ATOM 0 H GLN A 131 15.017 2.233 -3.267 1.00 0.00 H new ATOM 0 HA GLN A 131 17.827 2.994 -3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 131 17.443 4.991 -2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 131 16.158 4.830 -3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.681 3.889 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 131 15.958 4.248 -0.828 1.00 0.00 H new ATOM 0 HE21 GLN A 131 16.711 6.814 -2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 131 15.443 7.958 -1.879 1.00 0.00 H new ATOM 2066 N ALA A 132 16.852 1.111 -1.512 1.00 0.00 N ATOM 2067 CA ALA A 132 17.280 0.242 -0.425 1.00 0.00 C ATOM 2068 C ALA A 132 17.326 1.006 0.896 1.00 0.00 C ATOM 2069 O ALA A 132 16.340 0.983 1.631 1.00 0.00 O ATOM 2070 CB ALA A 132 18.621 -0.427 -0.752 1.00 0.00 C ATOM 2071 OXT ALA A 132 18.455 1.711 1.260 1.00 0.00 O ATOM 0 H ALA A 132 16.002 0.783 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 132 16.545 -0.554 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 132 18.918 -1.071 0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 132 18.518 -1.025 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 132 19.381 0.339 -0.907 1.00 0.00 H new