USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 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 60 THR OG1 : rot 180:sc= -0.0129 USER MOD Set 1.2: A 61 GLN : amide:sc= -2.19 K(o=-2.2,f=-3!) USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0535) USER MOD Single : A 1 MET N :NH3+ 145:sc= -0.14 (180deg=-1.13) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.152) USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= -0.0174 (180deg=-0.426) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.023 F(o=-0.67,f=-0.023) USER MOD Single : A 11 ASN : amide:sc= -1.14! C(o=-1.1!,f=-12!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -9:sc= 0.973 USER MOD Single : A 17 CYS SG : rot 100:sc= -7.89! USER MOD Single : A 22 GLN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 23 SER OG : rot -151:sc= 0.251 USER MOD Single : A 28 MET CE :methyl 163:sc= -0.668 (180deg=-0.991) USER MOD Single : A 35 CYS SG : rot -4:sc= 0.143 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -5.35! USER MOD Single : A 56 ASN : amide:sc= -2.11 K(o=-2.1,f=-4.4!) USER MOD Single : A 57 ASN : amide:sc= -0.315 K(o=-0.31,f=-1.1) USER MOD Single : A 58 ASN : amide:sc= -5.31! C(o=-5.3!,f=-8.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= -0.314 (180deg=-1.04) USER MOD Single : A 67 ASN : amide:sc= -3.76! C(o=-3.8!,f=-7.3!) USER MOD Single : A 69 THR OG1 : rot 150:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0034 X(o=-0.0034,f=-0.13) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -121:sc= 0.613 USER MOD Single : A 78 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.386 -0.797 0.013 1.00 0.00 N ATOM 2 CA MET A 1 14.565 -1.569 -1.250 1.00 0.00 C ATOM 3 C MET A 1 13.260 -1.549 -2.049 1.00 0.00 C ATOM 4 O MET A 1 12.218 -1.182 -1.547 1.00 0.00 O ATOM 5 CB MET A 1 14.935 -3.015 -0.915 1.00 0.00 C ATOM 6 CG MET A 1 13.931 -3.580 0.091 1.00 0.00 C ATOM 7 SD MET A 1 14.406 -5.270 0.533 1.00 0.00 S ATOM 8 CE MET A 1 13.306 -5.449 1.960 1.00 0.00 C ATOM 0 H1 MET A 1 14.937 -1.243 0.774 1.00 0.00 H new ATOM 0 H2 MET A 1 14.717 0.179 -0.127 1.00 0.00 H new ATOM 0 H3 MET A 1 13.379 -0.787 0.274 1.00 0.00 H new ATOM 0 HA MET A 1 15.361 -1.118 -1.842 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.937 -3.620 -1.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.943 -3.057 -0.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.902 -2.954 0.983 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.928 -3.573 -0.336 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.370 -6.467 2.343 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.605 -4.748 2.740 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.280 -5.239 1.657 1.00 0.00 H new ATOM 20 N GLU A 2 13.311 -1.940 -3.294 1.00 0.00 N ATOM 21 CA GLU A 2 12.073 -1.942 -4.124 1.00 0.00 C ATOM 22 C GLU A 2 11.153 -3.076 -3.666 1.00 0.00 C ATOM 23 O GLU A 2 11.545 -4.224 -3.614 1.00 0.00 O ATOM 24 CB GLU A 2 12.446 -2.151 -5.593 1.00 0.00 C ATOM 25 CG GLU A 2 13.382 -1.030 -6.048 1.00 0.00 C ATOM 26 CD GLU A 2 13.888 -1.327 -7.461 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.014 -2.496 -7.790 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.141 -0.383 -8.190 1.00 0.00 O ATOM 0 H GLU A 2 14.155 -2.257 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 2 11.558 -0.988 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.931 -3.119 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.547 -2.161 -6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.857 -0.075 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.223 -0.943 -5.360 1.00 0.00 H new ATOM 35 N TRP A 3 9.928 -2.761 -3.329 1.00 0.00 N ATOM 36 CA TRP A 3 8.974 -3.816 -2.872 1.00 0.00 C ATOM 37 C TRP A 3 8.095 -4.250 -4.046 1.00 0.00 C ATOM 38 O TRP A 3 8.227 -3.756 -5.149 1.00 0.00 O ATOM 39 CB TRP A 3 8.086 -3.250 -1.761 1.00 0.00 C ATOM 40 CG TRP A 3 8.940 -2.602 -0.718 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.666 -1.474 -0.898 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.168 -3.021 0.659 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.327 -1.176 0.280 1.00 0.00 N ATOM 44 CE2 TRP A 3 10.052 -2.099 1.270 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.699 -4.100 1.430 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.455 -2.243 2.598 1.00 0.00 C ATOM 47 CZ3 TRP A 3 9.103 -4.248 2.767 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.980 -3.321 3.349 1.00 0.00 C ATOM 0 H TRP A 3 9.547 -1.815 -3.351 1.00 0.00 H new ATOM 0 HA TRP A 3 9.533 -4.673 -2.496 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.386 -2.524 -2.175 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.491 -4.047 -1.315 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.720 -0.901 -1.812 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.943 -0.372 0.403 1.00 0.00 H new ATOM 0 HE3 TRP A 3 8.024 -4.819 0.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 11.130 -1.526 3.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.736 -5.080 3.350 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.288 -3.441 4.377 1.00 0.00 H new ATOM 59 N TRP A 4 7.196 -5.171 -3.819 1.00 0.00 N ATOM 60 CA TRP A 4 6.300 -5.641 -4.919 1.00 0.00 C ATOM 61 C TRP A 4 4.919 -5.952 -4.340 1.00 0.00 C ATOM 62 O TRP A 4 4.785 -6.727 -3.414 1.00 0.00 O ATOM 63 CB TRP A 4 6.885 -6.909 -5.547 1.00 0.00 C ATOM 64 CG TRP A 4 8.174 -6.577 -6.228 1.00 0.00 C ATOM 65 CD1 TRP A 4 8.294 -6.199 -7.522 1.00 0.00 C ATOM 66 CD2 TRP A 4 9.523 -6.589 -5.678 1.00 0.00 C ATOM 67 NE1 TRP A 4 9.631 -5.977 -7.800 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.428 -6.204 -6.695 1.00 0.00 C ATOM 69 CE3 TRP A 4 10.044 -6.892 -4.407 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.801 -6.123 -6.460 1.00 0.00 C ATOM 71 CZ3 TRP A 4 11.425 -6.812 -4.167 1.00 0.00 C ATOM 72 CH2 TRP A 4 12.302 -6.428 -5.192 1.00 0.00 C ATOM 0 H TRP A 4 7.042 -5.620 -2.916 1.00 0.00 H new ATOM 0 HA TRP A 4 6.215 -4.866 -5.681 1.00 0.00 H new ATOM 0 HB2 TRP A 4 7.051 -7.665 -4.779 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.181 -7.331 -6.264 1.00 0.00 H new ATOM 0 HD1 TRP A 4 7.480 -6.089 -8.223 1.00 0.00 H new ATOM 0 HE1 TRP A 4 9.985 -5.682 -8.710 1.00 0.00 H new ATOM 0 HE3 TRP A 4 9.377 -7.188 -3.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.472 -5.827 -7.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 11.814 -7.047 -3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 4 13.363 -6.368 -5.001 1.00 0.00 H new ATOM 83 N VAL A 5 3.888 -5.350 -4.871 1.00 0.00 N ATOM 84 CA VAL A 5 2.523 -5.614 -4.337 1.00 0.00 C ATOM 85 C VAL A 5 2.069 -7.017 -4.746 1.00 0.00 C ATOM 86 O VAL A 5 2.211 -7.421 -5.883 1.00 0.00 O ATOM 87 CB VAL A 5 1.546 -4.581 -4.898 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.964 -3.181 -4.451 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.555 -4.650 -6.425 1.00 0.00 C ATOM 0 H VAL A 5 3.933 -4.690 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 5 2.544 -5.544 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 5 0.543 -4.794 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.265 -2.447 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.958 -3.130 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.967 -2.966 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.859 -3.914 -6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.559 -4.438 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.254 -5.647 -6.746 1.00 0.00 H new ATOM 99 N LYS A 6 1.513 -7.762 -3.824 1.00 0.00 N ATOM 100 CA LYS A 6 1.033 -9.140 -4.148 1.00 0.00 C ATOM 101 C LYS A 6 -0.478 -9.095 -4.381 1.00 0.00 C ATOM 102 O LYS A 6 -1.016 -9.818 -5.196 1.00 0.00 O ATOM 103 CB LYS A 6 1.338 -10.074 -2.974 1.00 0.00 C ATOM 104 CG LYS A 6 1.073 -11.522 -3.388 1.00 0.00 C ATOM 105 CD LYS A 6 1.398 -12.456 -2.221 1.00 0.00 C ATOM 106 CE LYS A 6 0.987 -13.885 -2.580 1.00 0.00 C ATOM 107 NZ LYS A 6 1.876 -14.401 -3.660 1.00 0.00 N ATOM 0 H LYS A 6 1.370 -7.473 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 6 1.536 -9.507 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.377 -9.958 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.718 -9.811 -2.117 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.031 -11.642 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.682 -11.781 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.464 -12.418 -1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.873 -12.130 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.055 -14.526 -1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.052 -13.904 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.736 -15.426 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.644 -13.927 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.868 -14.210 -3.414 1.00 0.00 H new ATOM 121 N LYS A 7 -1.165 -8.242 -3.669 1.00 0.00 N ATOM 122 CA LYS A 7 -2.640 -8.131 -3.836 1.00 0.00 C ATOM 123 C LYS A 7 -3.087 -6.738 -3.384 1.00 0.00 C ATOM 124 O LYS A 7 -2.351 -6.027 -2.728 1.00 0.00 O ATOM 125 CB LYS A 7 -3.330 -9.198 -2.983 1.00 0.00 C ATOM 126 CG LYS A 7 -4.786 -9.355 -3.426 1.00 0.00 C ATOM 127 CD LYS A 7 -5.423 -10.519 -2.667 1.00 0.00 C ATOM 128 CE LYS A 7 -6.807 -10.813 -3.248 1.00 0.00 C ATOM 129 NZ LYS A 7 -7.652 -9.588 -3.164 1.00 0.00 N ATOM 0 H LYS A 7 -0.763 -7.613 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.909 -8.281 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.806 -10.149 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.289 -8.918 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.338 -8.435 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.834 -9.537 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.791 -11.404 -2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.506 -10.274 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.717 -11.135 -4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.277 -11.630 -2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.651 -9.845 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.531 -9.146 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.365 -8.917 -3.905 1.00 0.00 H new ATOM 143 N VAL A 8 -4.281 -6.338 -3.726 1.00 0.00 N ATOM 144 CA VAL A 8 -4.758 -4.989 -3.310 1.00 0.00 C ATOM 145 C VAL A 8 -6.288 -4.948 -3.339 1.00 0.00 C ATOM 146 O VAL A 8 -6.927 -5.672 -4.079 1.00 0.00 O ATOM 147 CB VAL A 8 -4.196 -3.931 -4.267 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.484 -4.345 -5.712 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.849 -2.571 -3.984 1.00 0.00 C ATOM 0 H VAL A 8 -4.945 -6.885 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.414 -4.782 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.119 -3.849 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.085 -3.593 -6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.012 -5.306 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.561 -4.431 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.445 -1.824 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.927 -2.648 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.639 -2.274 -2.957 1.00 0.00 H new ATOM 159 N GLN A 9 -6.876 -4.097 -2.536 1.00 0.00 N ATOM 160 CA GLN A 9 -8.368 -3.980 -2.495 1.00 0.00 C ATOM 161 C GLN A 9 -8.755 -2.499 -2.550 1.00 0.00 C ATOM 162 O GLN A 9 -8.289 -1.698 -1.765 1.00 0.00 O ATOM 163 CB GLN A 9 -8.891 -4.593 -1.194 1.00 0.00 C ATOM 164 CG GLN A 9 -8.225 -5.952 -0.965 1.00 0.00 C ATOM 165 CD GLN A 9 -8.871 -6.642 0.236 1.00 0.00 C ATOM 166 OE1 GLN A 9 -10.167 -6.588 0.386 1.00 0.00 O flip ATOM 167 NE2 GLN A 9 -8.191 -7.236 1.050 1.00 0.00 N flip ATOM 0 H GLN A 9 -6.381 -3.471 -1.900 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.802 -4.507 -3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.681 -3.928 -0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.973 -4.711 -1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.329 -6.574 -1.854 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.157 -5.821 -0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.179 -7.279 0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.633 -7.691 1.849 1.00 0.00 H new ATOM 176 N ASP A 10 -9.599 -2.131 -3.475 1.00 0.00 N ATOM 177 CA ASP A 10 -10.008 -0.700 -3.583 1.00 0.00 C ATOM 178 C ASP A 10 -10.582 -0.224 -2.246 1.00 0.00 C ATOM 179 O ASP A 10 -10.774 -0.998 -1.329 1.00 0.00 O ATOM 180 CB ASP A 10 -11.070 -0.555 -4.675 1.00 0.00 C ATOM 181 CG ASP A 10 -12.226 -1.518 -4.397 1.00 0.00 C ATOM 182 OD1 ASP A 10 -11.957 -2.621 -3.948 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.359 -1.138 -4.640 1.00 0.00 O ATOM 0 H ASP A 10 -10.023 -2.757 -4.160 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.138 -0.094 -3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.437 0.471 -4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.634 -0.767 -5.651 1.00 0.00 H new ATOM 188 N ASN A 11 -10.854 1.048 -2.129 1.00 0.00 N ATOM 189 CA ASN A 11 -11.413 1.580 -0.855 1.00 0.00 C ATOM 190 C ASN A 11 -12.871 1.144 -0.717 1.00 0.00 C ATOM 191 O ASN A 11 -13.767 1.960 -0.624 1.00 0.00 O ATOM 192 CB ASN A 11 -11.337 3.109 -0.861 1.00 0.00 C ATOM 193 CG ASN A 11 -11.913 3.644 -2.175 1.00 0.00 C ATOM 194 OD1 ASN A 11 -11.851 2.984 -3.193 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.475 4.821 -2.195 1.00 0.00 N ATOM 0 H ASN A 11 -10.712 1.742 -2.863 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.836 1.191 -0.016 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.893 3.515 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.302 3.433 -0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.862 5.187 -3.065 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.527 5.376 -1.341 1.00 0.00 H new ATOM 202 N ALA A 12 -13.116 -0.135 -0.702 1.00 0.00 N ATOM 203 CA ALA A 12 -14.516 -0.622 -0.568 1.00 0.00 C ATOM 204 C ALA A 12 -15.046 -0.278 0.825 1.00 0.00 C ATOM 205 O ALA A 12 -16.221 -0.407 1.103 1.00 0.00 O ATOM 206 CB ALA A 12 -14.545 -2.139 -0.768 1.00 0.00 C ATOM 0 H ALA A 12 -12.407 -0.865 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.143 -0.143 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.569 -2.499 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.168 -2.382 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.919 -2.617 -0.015 1.00 0.00 H new ATOM 212 N SER A 13 -14.186 0.162 1.705 1.00 0.00 N ATOM 213 CA SER A 13 -14.639 0.518 3.081 1.00 0.00 C ATOM 214 C SER A 13 -15.190 1.945 3.083 1.00 0.00 C ATOM 215 O SER A 13 -16.251 2.210 3.613 1.00 0.00 O ATOM 216 CB SER A 13 -13.454 0.431 4.045 1.00 0.00 C ATOM 217 OG SER A 13 -13.139 -0.936 4.279 1.00 0.00 O ATOM 0 H SER A 13 -13.189 0.290 1.530 1.00 0.00 H new ATOM 0 HA SER A 13 -15.419 -0.175 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.591 0.949 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.698 0.926 4.985 1.00 0.00 H new ATOM 0 HG SER A 13 -12.379 -0.996 4.895 1.00 0.00 H new ATOM 223 N ALA A 14 -14.476 2.864 2.490 1.00 0.00 N ATOM 224 CA ALA A 14 -14.947 4.279 2.450 1.00 0.00 C ATOM 225 C ALA A 14 -13.863 5.145 1.800 1.00 0.00 C ATOM 226 O ALA A 14 -14.116 5.875 0.863 1.00 0.00 O ATOM 227 CB ALA A 14 -15.218 4.773 3.879 1.00 0.00 C ATOM 0 H ALA A 14 -13.582 2.694 2.029 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.868 4.346 1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.562 5.807 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.984 4.150 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.301 4.714 4.465 1.00 0.00 H new ATOM 233 N SER A 15 -12.658 5.064 2.293 1.00 0.00 N ATOM 234 CA SER A 15 -11.554 5.875 1.710 1.00 0.00 C ATOM 235 C SER A 15 -10.212 5.250 2.096 1.00 0.00 C ATOM 236 O SER A 15 -9.196 5.916 2.135 1.00 0.00 O ATOM 237 CB SER A 15 -11.627 7.302 2.252 1.00 0.00 C ATOM 238 OG SER A 15 -12.792 7.939 1.743 1.00 0.00 O ATOM 0 H SER A 15 -12.390 4.469 3.077 1.00 0.00 H new ATOM 0 HA SER A 15 -11.650 5.896 0.624 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.653 7.289 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.737 7.860 1.961 1.00 0.00 H new ATOM 0 HG SER A 15 -13.201 7.372 1.056 1.00 0.00 H new ATOM 244 N LEU A 16 -10.206 3.971 2.382 1.00 0.00 N ATOM 245 CA LEU A 16 -8.937 3.277 2.771 1.00 0.00 C ATOM 246 C LEU A 16 -8.798 1.990 1.959 1.00 0.00 C ATOM 247 O LEU A 16 -9.648 1.123 2.004 1.00 0.00 O ATOM 248 CB LEU A 16 -8.984 2.918 4.261 1.00 0.00 C ATOM 249 CG LEU A 16 -9.086 4.195 5.111 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.606 3.839 6.506 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.706 4.856 5.248 1.00 0.00 C ATOM 0 H LEU A 16 -11.032 3.373 2.363 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.091 3.936 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.838 2.271 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.090 2.359 4.536 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.770 4.888 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.679 4.744 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.591 3.380 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.919 3.139 6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.793 5.759 5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.017 4.162 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.327 5.116 4.260 1.00 0.00 H new ATOM 263 N CYS A 17 -7.722 1.853 1.225 1.00 0.00 N ATOM 264 CA CYS A 17 -7.505 0.619 0.411 1.00 0.00 C ATOM 265 C CYS A 17 -6.448 -0.235 1.102 1.00 0.00 C ATOM 266 O CYS A 17 -5.582 0.276 1.775 1.00 0.00 O ATOM 267 CB CYS A 17 -7.010 1.012 -0.981 1.00 0.00 C ATOM 268 SG CYS A 17 -8.281 1.993 -1.815 1.00 0.00 S ATOM 0 H CYS A 17 -6.979 2.549 1.155 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.436 0.061 0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.086 1.585 -0.902 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.783 0.119 -1.564 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.981 3.255 -1.729 1.00 0.00 H new ATOM 274 N ARG A 18 -6.509 -1.530 0.946 1.00 0.00 N ATOM 275 CA ARG A 18 -5.496 -2.417 1.599 1.00 0.00 C ATOM 276 C ARG A 18 -4.479 -2.867 0.553 1.00 0.00 C ATOM 277 O ARG A 18 -4.779 -2.952 -0.621 1.00 0.00 O ATOM 278 CB ARG A 18 -6.197 -3.643 2.190 1.00 0.00 C ATOM 279 CG ARG A 18 -7.331 -3.190 3.111 1.00 0.00 C ATOM 280 CD ARG A 18 -7.868 -4.392 3.889 1.00 0.00 C ATOM 281 NE ARG A 18 -8.970 -3.950 4.789 1.00 0.00 N ATOM 282 CZ ARG A 18 -8.702 -3.241 5.851 1.00 0.00 C ATOM 283 NH1 ARG A 18 -7.467 -2.920 6.126 1.00 0.00 N ATOM 284 NH2 ARG A 18 -9.668 -2.855 6.639 1.00 0.00 N ATOM 0 H ARG A 18 -7.217 -2.015 0.394 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.989 -1.873 2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.592 -4.269 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.483 -4.250 2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.970 -2.428 3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.130 -2.736 2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.231 -5.153 3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.068 -4.848 4.473 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.935 -4.202 4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.712 -3.223 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.257 -2.366 6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.633 -3.108 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.458 -2.301 7.469 1.00 0.00 H new ATOM 298 N VAL A 19 -3.274 -3.157 0.967 1.00 0.00 N ATOM 299 CA VAL A 19 -2.235 -3.599 -0.009 1.00 0.00 C ATOM 300 C VAL A 19 -1.293 -4.604 0.651 1.00 0.00 C ATOM 301 O VAL A 19 -0.817 -4.400 1.749 1.00 0.00 O ATOM 302 CB VAL A 19 -1.424 -2.388 -0.481 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.370 -1.303 -0.995 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.597 -1.830 0.681 1.00 0.00 C ATOM 0 H VAL A 19 -2.964 -3.107 1.938 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.728 -4.068 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.756 -2.700 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.790 -0.443 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.953 -1.694 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.042 -0.997 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.023 -0.969 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.263 -1.524 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.084 -2.599 1.045 1.00 0.00 H new ATOM 314 N VAL A 20 -1.006 -5.684 -0.024 1.00 0.00 N ATOM 315 CA VAL A 20 -0.074 -6.705 0.540 1.00 0.00 C ATOM 316 C VAL A 20 1.312 -6.476 -0.064 1.00 0.00 C ATOM 317 O VAL A 20 1.520 -6.670 -1.246 1.00 0.00 O ATOM 318 CB VAL A 20 -0.565 -8.106 0.175 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.313 -9.151 0.868 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.014 -8.275 0.636 1.00 0.00 C ATOM 0 H VAL A 20 -1.379 -5.905 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.032 -6.616 1.626 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.508 -8.240 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.037 -10.150 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.346 -9.032 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.255 -9.016 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.364 -9.274 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.070 -8.141 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.641 -7.531 0.145 1.00 0.00 H new ATOM 330 N LEU A 21 2.261 -6.045 0.728 1.00 0.00 N ATOM 331 CA LEU A 21 3.631 -5.785 0.184 1.00 0.00 C ATOM 332 C LEU A 21 4.527 -6.999 0.428 1.00 0.00 C ATOM 333 O LEU A 21 4.705 -7.441 1.546 1.00 0.00 O ATOM 334 CB LEU A 21 4.229 -4.565 0.888 1.00 0.00 C ATOM 335 CG LEU A 21 3.183 -3.452 0.965 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.828 -2.189 1.542 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.642 -3.156 -0.438 1.00 0.00 C ATOM 0 H LEU A 21 2.148 -5.862 1.725 1.00 0.00 H new ATOM 0 HA LEU A 21 3.564 -5.599 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.560 -4.837 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.108 -4.215 0.347 1.00 0.00 H new ATOM 0 HG LEU A 21 2.362 -3.769 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.085 -1.394 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.210 -2.399 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.649 -1.873 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.897 -2.363 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.461 -2.839 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.183 -4.056 -0.848 1.00 0.00 H new ATOM 349 N GLN A 22 5.096 -7.539 -0.622 1.00 0.00 N ATOM 350 CA GLN A 22 5.991 -8.730 -0.484 1.00 0.00 C ATOM 351 C GLN A 22 7.447 -8.291 -0.643 1.00 0.00 C ATOM 352 O GLN A 22 7.762 -7.420 -1.431 1.00 0.00 O ATOM 353 CB GLN A 22 5.648 -9.747 -1.573 1.00 0.00 C ATOM 354 CG GLN A 22 6.550 -10.975 -1.429 1.00 0.00 C ATOM 355 CD GLN A 22 5.995 -12.119 -2.279 1.00 0.00 C ATOM 356 OE1 GLN A 22 6.239 -12.181 -3.467 1.00 0.00 O ATOM 357 NE2 GLN A 22 5.255 -13.034 -1.716 1.00 0.00 N ATOM 0 H GLN A 22 4.977 -7.202 -1.577 1.00 0.00 H new ATOM 0 HA GLN A 22 5.851 -9.182 0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.601 -10.041 -1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.780 -9.299 -2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.565 -10.733 -1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.605 -11.278 -0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.050 -12.982 -0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.881 -13.802 -2.274 1.00 0.00 H new ATOM 366 N SER A 23 8.339 -8.891 0.101 1.00 0.00 N ATOM 367 CA SER A 23 9.780 -8.512 -0.004 1.00 0.00 C ATOM 368 C SER A 23 10.653 -9.696 0.418 1.00 0.00 C ATOM 369 O SER A 23 10.367 -10.377 1.382 1.00 0.00 O ATOM 370 CB SER A 23 10.061 -7.320 0.912 1.00 0.00 C ATOM 371 OG SER A 23 9.460 -7.550 2.180 1.00 0.00 O ATOM 0 H SER A 23 8.133 -9.627 0.777 1.00 0.00 H new ATOM 0 HA SER A 23 10.010 -8.242 -1.035 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.136 -7.180 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.666 -6.406 0.470 1.00 0.00 H new ATOM 0 HG SER A 23 9.227 -6.692 2.592 1.00 0.00 H new ATOM 377 N GLY A 24 11.716 -9.944 -0.297 1.00 0.00 N ATOM 378 CA GLY A 24 12.609 -11.082 0.062 1.00 0.00 C ATOM 379 C GLY A 24 11.787 -12.368 0.163 1.00 0.00 C ATOM 380 O GLY A 24 11.652 -13.108 -0.792 1.00 0.00 O ATOM 0 H GLY A 24 12.005 -9.407 -1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.390 -11.196 -0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.107 -10.881 1.011 1.00 0.00 H new ATOM 384 N ALA A 25 11.235 -12.641 1.314 1.00 0.00 N ATOM 385 CA ALA A 25 10.419 -13.879 1.482 1.00 0.00 C ATOM 386 C ALA A 25 9.419 -13.675 2.620 1.00 0.00 C ATOM 387 O ALA A 25 9.043 -14.607 3.302 1.00 0.00 O ATOM 388 CB ALA A 25 11.341 -15.054 1.817 1.00 0.00 C ATOM 0 H ALA A 25 11.314 -12.059 2.148 1.00 0.00 H new ATOM 0 HA ALA A 25 9.881 -14.091 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.747 -15.959 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.057 -15.197 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.877 -14.843 2.742 1.00 0.00 H new ATOM 394 N LEU A 26 8.987 -12.456 2.829 1.00 0.00 N ATOM 395 CA LEU A 26 8.006 -12.164 3.923 1.00 0.00 C ATOM 396 C LEU A 26 6.899 -11.265 3.370 1.00 0.00 C ATOM 397 O LEU A 26 7.158 -10.309 2.665 1.00 0.00 O ATOM 398 CB LEU A 26 8.734 -11.449 5.070 1.00 0.00 C ATOM 399 CG LEU A 26 7.736 -11.002 6.150 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.911 -12.200 6.641 1.00 0.00 C ATOM 401 CD2 LEU A 26 8.514 -10.400 7.325 1.00 0.00 C ATOM 0 H LEU A 26 9.274 -11.643 2.284 1.00 0.00 H new ATOM 0 HA LEU A 26 7.569 -13.091 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.477 -12.116 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.271 -10.583 4.683 1.00 0.00 H new ATOM 0 HG LEU A 26 7.058 -10.259 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.208 -11.869 7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.361 -12.630 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.578 -12.953 7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.815 -10.079 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.190 -11.150 7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.091 -9.542 6.978 1.00 0.00 H new ATOM 413 N GLU A 27 5.663 -11.562 3.686 1.00 0.00 N ATOM 414 CA GLU A 27 4.527 -10.729 3.186 1.00 0.00 C ATOM 415 C GLU A 27 4.050 -9.809 4.308 1.00 0.00 C ATOM 416 O GLU A 27 4.232 -10.095 5.475 1.00 0.00 O ATOM 417 CB GLU A 27 3.379 -11.644 2.753 1.00 0.00 C ATOM 418 CG GLU A 27 3.934 -12.801 1.920 1.00 0.00 C ATOM 419 CD GLU A 27 2.777 -13.642 1.377 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.951 -14.061 2.172 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.736 -13.851 0.176 1.00 0.00 O ATOM 0 H GLU A 27 5.391 -12.351 4.273 1.00 0.00 H new ATOM 0 HA GLU A 27 4.854 -10.131 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.858 -12.030 3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.650 -11.080 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.534 -12.415 1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.592 -13.420 2.531 1.00 0.00 H new ATOM 428 N MET A 28 3.443 -8.702 3.970 1.00 0.00 N ATOM 429 CA MET A 28 2.960 -7.761 5.022 1.00 0.00 C ATOM 430 C MET A 28 1.664 -7.094 4.558 1.00 0.00 C ATOM 431 O MET A 28 1.496 -6.786 3.395 1.00 0.00 O ATOM 432 CB MET A 28 4.024 -6.689 5.264 1.00 0.00 C ATOM 433 CG MET A 28 5.396 -7.352 5.409 1.00 0.00 C ATOM 434 SD MET A 28 6.614 -6.113 5.915 1.00 0.00 S ATOM 435 CE MET A 28 7.919 -7.267 6.408 1.00 0.00 C ATOM 0 H MET A 28 3.261 -8.409 3.010 1.00 0.00 H new ATOM 0 HA MET A 28 2.773 -8.310 5.945 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.037 -5.981 4.435 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.786 -6.122 6.164 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.349 -8.153 6.146 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.694 -7.806 4.464 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.869 -6.736 6.471 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.677 -7.695 7.381 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.997 -8.065 5.669 1.00 0.00 H new ATOM 445 N ILE A 29 0.750 -6.860 5.468 1.00 0.00 N ATOM 446 CA ILE A 29 -0.546 -6.199 5.107 1.00 0.00 C ATOM 447 C ILE A 29 -0.535 -4.784 5.679 1.00 0.00 C ATOM 448 O ILE A 29 -0.039 -4.556 6.765 1.00 0.00 O ATOM 449 CB ILE A 29 -1.711 -6.993 5.713 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.847 -8.331 4.979 1.00 0.00 C ATOM 451 CG2 ILE A 29 -3.011 -6.197 5.564 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.832 -9.231 5.729 1.00 0.00 C ATOM 0 H ILE A 29 0.846 -7.100 6.455 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.667 -6.165 4.024 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.517 -7.171 6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.195 -8.164 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.875 -8.819 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.836 -6.764 5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.915 -5.243 6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.208 -6.017 4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.927 -10.182 5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.465 -9.409 6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.806 -8.744 5.777 1.00 0.00 H new ATOM 464 N ALA A 30 -1.057 -3.823 4.961 1.00 0.00 N ATOM 465 CA ALA A 30 -1.042 -2.425 5.485 1.00 0.00 C ATOM 466 C ALA A 30 -2.270 -1.652 5.007 1.00 0.00 C ATOM 467 O ALA A 30 -2.727 -1.811 3.893 1.00 0.00 O ATOM 468 CB ALA A 30 0.227 -1.732 4.985 1.00 0.00 C ATOM 0 H ALA A 30 -1.488 -3.943 4.045 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.059 -2.450 6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.254 -0.709 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.103 -2.273 5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.230 -1.720 3.895 1.00 0.00 H new ATOM 474 N GLU A 31 -2.799 -0.798 5.849 1.00 0.00 N ATOM 475 CA GLU A 31 -3.988 0.012 5.454 1.00 0.00 C ATOM 476 C GLU A 31 -3.497 1.262 4.719 1.00 0.00 C ATOM 477 O GLU A 31 -2.678 2.006 5.223 1.00 0.00 O ATOM 478 CB GLU A 31 -4.774 0.410 6.705 1.00 0.00 C ATOM 479 CG GLU A 31 -5.958 1.299 6.309 1.00 0.00 C ATOM 480 CD GLU A 31 -6.979 1.333 7.450 1.00 0.00 C ATOM 481 OE1 GLU A 31 -6.602 1.718 8.545 1.00 0.00 O ATOM 482 OE2 GLU A 31 -8.119 0.973 7.209 1.00 0.00 O ATOM 0 H GLU A 31 -2.456 -0.628 6.795 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.642 -0.566 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.132 -0.481 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.125 0.941 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.610 2.308 6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.425 0.917 5.401 1.00 0.00 H new ATOM 489 N ILE A 32 -3.972 1.478 3.519 1.00 0.00 N ATOM 490 CA ILE A 32 -3.524 2.654 2.703 1.00 0.00 C ATOM 491 C ILE A 32 -4.686 3.636 2.514 1.00 0.00 C ATOM 492 O ILE A 32 -5.835 3.252 2.430 1.00 0.00 O ATOM 493 CB ILE A 32 -3.033 2.129 1.332 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.548 1.740 1.417 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.200 3.191 0.237 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.302 0.826 2.620 1.00 0.00 C ATOM 0 H ILE A 32 -4.662 0.882 3.061 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.716 3.181 3.211 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.637 1.258 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.245 1.234 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.935 2.637 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.846 2.792 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.253 3.460 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.620 4.076 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.246 0.560 2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.585 1.346 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.900 -0.080 2.517 1.00 0.00 H new ATOM 508 N GLU A 33 -4.373 4.907 2.430 1.00 0.00 N ATOM 509 CA GLU A 33 -5.423 5.954 2.226 1.00 0.00 C ATOM 510 C GLU A 33 -5.151 6.674 0.901 1.00 0.00 C ATOM 511 O GLU A 33 -4.228 7.456 0.793 1.00 0.00 O ATOM 512 CB GLU A 33 -5.351 6.966 3.370 1.00 0.00 C ATOM 513 CG GLU A 33 -6.542 7.922 3.289 1.00 0.00 C ATOM 514 CD GLU A 33 -6.610 8.765 4.563 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.776 9.643 4.714 1.00 0.00 O ATOM 516 OE2 GLU A 33 -7.495 8.518 5.367 1.00 0.00 O ATOM 0 H GLU A 33 -3.421 5.268 2.495 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.411 5.493 2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.354 6.447 4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.418 7.527 3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.443 8.569 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.466 7.358 3.164 1.00 0.00 H new ATOM 523 N ALA A 34 -5.940 6.418 -0.112 1.00 0.00 N ATOM 524 CA ALA A 34 -5.711 7.093 -1.426 1.00 0.00 C ATOM 525 C ALA A 34 -7.042 7.279 -2.153 1.00 0.00 C ATOM 526 O ALA A 34 -8.101 7.032 -1.611 1.00 0.00 O ATOM 527 CB ALA A 34 -4.785 6.231 -2.288 1.00 0.00 C ATOM 0 H ALA A 34 -6.730 5.773 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.254 8.067 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.618 6.723 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.831 6.098 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.246 5.257 -2.455 1.00 0.00 H new ATOM 533 N CYS A 35 -6.990 7.712 -3.384 1.00 0.00 N ATOM 534 CA CYS A 35 -8.240 7.919 -4.172 1.00 0.00 C ATOM 535 C CYS A 35 -7.956 7.598 -5.640 1.00 0.00 C ATOM 536 O CYS A 35 -8.857 7.451 -6.441 1.00 0.00 O ATOM 537 CB CYS A 35 -8.689 9.375 -4.045 1.00 0.00 C ATOM 538 SG CYS A 35 -8.979 9.767 -2.301 1.00 0.00 S ATOM 0 H CYS A 35 -6.128 7.933 -3.882 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.028 7.267 -3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.928 10.039 -4.456 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -9.600 9.538 -4.622 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.813 8.697 -1.582 1.00 0.00 H new ATOM 544 N ARG A 36 -6.705 7.485 -5.996 1.00 0.00 N ATOM 545 CA ARG A 36 -6.356 7.167 -7.408 1.00 0.00 C ATOM 546 C ARG A 36 -6.738 5.717 -7.705 1.00 0.00 C ATOM 547 O ARG A 36 -7.176 5.392 -8.791 1.00 0.00 O ATOM 548 CB ARG A 36 -4.850 7.353 -7.617 1.00 0.00 C ATOM 549 CG ARG A 36 -4.455 8.784 -7.248 1.00 0.00 C ATOM 550 CD ARG A 36 -3.011 9.044 -7.679 1.00 0.00 C ATOM 551 NE ARG A 36 -2.570 10.371 -7.163 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.968 11.465 -7.751 1.00 0.00 C ATOM 553 NH1 ARG A 36 -3.752 11.399 -8.792 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.581 12.627 -7.298 1.00 0.00 N ATOM 0 H ARG A 36 -5.909 7.600 -5.368 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.898 7.834 -8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.297 6.642 -7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.588 7.149 -8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.124 9.494 -7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.557 8.935 -6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.359 8.258 -7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.935 9.021 -8.766 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.957 10.424 -6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.054 10.491 -9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.063 12.255 -9.251 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.968 12.679 -6.485 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.892 13.483 -7.758 1.00 0.00 H new ATOM 568 N LEU A 37 -6.581 4.845 -6.743 1.00 0.00 N ATOM 569 CA LEU A 37 -6.938 3.415 -6.958 1.00 0.00 C ATOM 570 C LEU A 37 -6.394 2.943 -8.309 1.00 0.00 C ATOM 571 O LEU A 37 -6.936 2.053 -8.933 1.00 0.00 O ATOM 572 CB LEU A 37 -8.460 3.273 -6.932 1.00 0.00 C ATOM 573 CG LEU A 37 -9.031 4.089 -5.767 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.528 3.809 -5.634 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.319 3.699 -4.466 1.00 0.00 C ATOM 0 H LEU A 37 -6.219 5.065 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.500 2.804 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.884 3.619 -7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.736 2.224 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.875 5.151 -5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.934 4.389 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.034 4.091 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.684 2.747 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.727 4.281 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.471 2.637 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.252 3.901 -4.560 1.00 0.00 H new ATOM 587 N ARG A 38 -5.325 3.540 -8.764 1.00 0.00 N ATOM 588 CA ARG A 38 -4.734 3.138 -10.077 1.00 0.00 C ATOM 589 C ARG A 38 -3.660 2.070 -9.843 1.00 0.00 C ATOM 590 O ARG A 38 -2.912 1.719 -10.733 1.00 0.00 O ATOM 591 CB ARG A 38 -4.104 4.373 -10.739 1.00 0.00 C ATOM 592 CG ARG A 38 -3.967 4.148 -12.252 1.00 0.00 C ATOM 593 CD ARG A 38 -2.939 5.125 -12.825 1.00 0.00 C ATOM 594 NE ARG A 38 -3.010 5.106 -14.314 1.00 0.00 N ATOM 595 CZ ARG A 38 -2.540 4.086 -14.976 1.00 0.00 C ATOM 596 NH1 ARG A 38 -2.006 3.082 -14.336 1.00 0.00 N ATOM 597 NH2 ARG A 38 -2.604 4.069 -16.279 1.00 0.00 N ATOM 0 H ARG A 38 -4.833 4.292 -8.282 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.509 2.731 -10.727 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.720 5.252 -10.548 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.125 4.570 -10.302 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.658 3.122 -12.451 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.931 4.291 -12.740 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.132 6.132 -12.454 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.937 4.850 -12.495 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.426 5.891 -14.815 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.956 3.095 -13.317 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.638 2.284 -14.854 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.022 4.854 -16.779 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.236 3.271 -16.797 1.00 0.00 H new ATOM 611 N LEU A 39 -3.578 1.555 -8.650 1.00 0.00 N ATOM 612 CA LEU A 39 -2.554 0.515 -8.354 1.00 0.00 C ATOM 613 C LEU A 39 -2.860 -0.745 -9.166 1.00 0.00 C ATOM 614 O LEU A 39 -3.931 -0.896 -9.717 1.00 0.00 O ATOM 615 CB LEU A 39 -2.582 0.183 -6.859 1.00 0.00 C ATOM 616 CG LEU A 39 -1.870 1.285 -6.070 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.596 2.621 -6.269 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.867 0.920 -4.584 1.00 0.00 C ATOM 0 H LEU A 39 -4.177 1.809 -7.865 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.566 0.888 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.613 0.087 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.096 -0.776 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.845 1.380 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.084 3.401 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.597 2.880 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.623 2.533 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.361 1.702 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.894 0.823 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.344 -0.026 -4.443 1.00 0.00 H new ATOM 630 N ARG A 40 -1.923 -1.652 -9.243 1.00 0.00 N ATOM 631 CA ARG A 40 -2.156 -2.905 -10.017 1.00 0.00 C ATOM 632 C ARG A 40 -1.254 -4.013 -9.468 1.00 0.00 C ATOM 633 O ARG A 40 -0.297 -3.756 -8.767 1.00 0.00 O ATOM 634 CB ARG A 40 -1.830 -2.661 -11.493 1.00 0.00 C ATOM 635 CG ARG A 40 -2.414 -3.790 -12.344 1.00 0.00 C ATOM 636 CD ARG A 40 -2.210 -3.470 -13.826 1.00 0.00 C ATOM 637 NE ARG A 40 -3.045 -2.295 -14.202 1.00 0.00 N ATOM 638 CZ ARG A 40 -4.339 -2.425 -14.316 1.00 0.00 C ATOM 639 NH1 ARG A 40 -4.900 -3.584 -14.102 1.00 0.00 N ATOM 640 NH2 ARG A 40 -5.072 -1.396 -14.645 1.00 0.00 N ATOM 0 H ARG A 40 -1.006 -1.579 -8.803 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.200 -3.205 -9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.240 -1.703 -11.812 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.750 -2.608 -11.633 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.931 -4.735 -12.095 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.476 -3.909 -12.130 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.159 -3.260 -14.022 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.481 -4.332 -14.435 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.606 -1.390 -14.370 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.327 -4.388 -13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.911 -3.685 -14.191 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.634 -0.490 -14.813 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.083 -1.498 -14.734 1.00 0.00 H new ATOM 654 N GLU A 41 -1.554 -5.241 -9.780 1.00 0.00 N ATOM 655 CA GLU A 41 -0.718 -6.367 -9.276 1.00 0.00 C ATOM 656 C GLU A 41 0.655 -6.331 -9.950 1.00 0.00 C ATOM 657 O GLU A 41 0.771 -6.088 -11.135 1.00 0.00 O ATOM 658 CB GLU A 41 -1.408 -7.694 -9.598 1.00 0.00 C ATOM 659 CG GLU A 41 -2.644 -7.856 -8.712 1.00 0.00 C ATOM 660 CD GLU A 41 -3.668 -6.775 -9.062 1.00 0.00 C ATOM 661 OE1 GLU A 41 -3.714 -6.383 -10.216 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.390 -6.358 -8.171 1.00 0.00 O ATOM 0 H GLU A 41 -2.344 -5.516 -10.364 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.593 -6.271 -8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.695 -7.721 -10.649 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.719 -8.523 -9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.080 -8.845 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.364 -7.780 -7.661 1.00 0.00 H new ATOM 669 N GLY A 42 1.699 -6.576 -9.203 1.00 0.00 N ATOM 670 CA GLY A 42 3.067 -6.562 -9.798 1.00 0.00 C ATOM 671 C GLY A 42 3.597 -5.128 -9.847 1.00 0.00 C ATOM 672 O GLY A 42 4.545 -4.831 -10.548 1.00 0.00 O ATOM 0 H GLY A 42 1.663 -6.785 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.737 -7.187 -9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.041 -6.984 -10.803 1.00 0.00 H new ATOM 676 N ASP A 43 2.999 -4.235 -9.107 1.00 0.00 N ATOM 677 CA ASP A 43 3.477 -2.824 -9.116 1.00 0.00 C ATOM 678 C ASP A 43 4.815 -2.733 -8.377 1.00 0.00 C ATOM 679 O ASP A 43 4.985 -3.289 -7.307 1.00 0.00 O ATOM 680 CB ASP A 43 2.448 -1.927 -8.421 1.00 0.00 C ATOM 681 CG ASP A 43 2.738 -0.463 -8.754 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.642 -0.220 -9.537 1.00 0.00 O ATOM 683 OD2 ASP A 43 2.050 0.393 -8.221 1.00 0.00 O ATOM 0 H ASP A 43 2.202 -4.421 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 43 3.607 -2.494 -10.147 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.442 -2.192 -8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.486 -2.080 -7.342 1.00 0.00 H new ATOM 688 N LYS A 44 5.765 -2.034 -8.944 1.00 0.00 N ATOM 689 CA LYS A 44 7.100 -1.895 -8.289 1.00 0.00 C ATOM 690 C LYS A 44 7.114 -0.633 -7.422 1.00 0.00 C ATOM 691 O LYS A 44 7.067 0.476 -7.923 1.00 0.00 O ATOM 692 CB LYS A 44 8.184 -1.784 -9.363 1.00 0.00 C ATOM 693 CG LYS A 44 8.172 -3.044 -10.232 1.00 0.00 C ATOM 694 CD LYS A 44 9.218 -2.910 -11.341 1.00 0.00 C ATOM 695 CE LYS A 44 9.301 -4.221 -12.125 1.00 0.00 C ATOM 696 NZ LYS A 44 10.373 -4.117 -13.154 1.00 0.00 N ATOM 0 H LYS A 44 5.672 -1.551 -9.838 1.00 0.00 H new ATOM 0 HA LYS A 44 7.291 -2.768 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.011 -0.902 -9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.161 -1.660 -8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.384 -3.922 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.183 -3.190 -10.666 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.952 -2.091 -12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.190 -2.669 -10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.511 -5.049 -11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.344 -4.433 -12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.430 -5.008 -13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.154 -3.337 -13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.285 -3.934 -12.688 1.00 0.00 H new ATOM 710 N LEU A 45 7.176 -0.798 -6.124 1.00 0.00 N ATOM 711 CA LEU A 45 7.193 0.379 -5.200 1.00 0.00 C ATOM 712 C LEU A 45 8.616 0.607 -4.684 1.00 0.00 C ATOM 713 O LEU A 45 9.339 -0.329 -4.403 1.00 0.00 O ATOM 714 CB LEU A 45 6.268 0.103 -4.009 1.00 0.00 C ATOM 715 CG LEU A 45 4.956 -0.512 -4.501 1.00 0.00 C ATOM 716 CD1 LEU A 45 4.024 -0.741 -3.309 1.00 0.00 C ATOM 717 CD2 LEU A 45 4.287 0.440 -5.495 1.00 0.00 C ATOM 0 H LEU A 45 7.216 -1.706 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 45 6.852 1.264 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.756 -0.573 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.067 1.030 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 45 5.161 -1.463 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.089 -1.179 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.500 -1.418 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.819 0.211 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.352 0.002 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.081 1.391 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.951 0.605 -6.344 1.00 0.00 H new ATOM 729 N THR A 46 9.019 1.848 -4.552 1.00 0.00 N ATOM 730 CA THR A 46 10.395 2.165 -4.045 1.00 0.00 C ATOM 731 C THR A 46 10.271 3.170 -2.890 1.00 0.00 C ATOM 732 O THR A 46 9.319 3.921 -2.823 1.00 0.00 O ATOM 733 CB THR A 46 11.232 2.785 -5.177 1.00 0.00 C ATOM 734 OG1 THR A 46 12.144 3.728 -4.632 1.00 0.00 O ATOM 735 CG2 THR A 46 10.313 3.492 -6.176 1.00 0.00 C ATOM 0 H THR A 46 8.449 2.664 -4.776 1.00 0.00 H new ATOM 0 HA THR A 46 10.883 1.254 -3.699 1.00 0.00 H new ATOM 0 HB THR A 46 11.782 1.994 -5.688 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.678 4.121 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.912 3.929 -6.975 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.613 2.772 -6.599 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.759 4.280 -5.666 1.00 0.00 H new ATOM 743 N PRO A 47 11.219 3.187 -1.981 1.00 0.00 N ATOM 744 CA PRO A 47 11.191 4.122 -0.815 1.00 0.00 C ATOM 745 C PRO A 47 11.408 5.581 -1.241 1.00 0.00 C ATOM 746 O PRO A 47 12.340 5.898 -1.952 1.00 0.00 O ATOM 747 CB PRO A 47 12.345 3.628 0.074 1.00 0.00 C ATOM 748 CG PRO A 47 13.288 2.948 -0.866 1.00 0.00 C ATOM 749 CD PRO A 47 12.417 2.326 -1.960 1.00 0.00 C ATOM 0 HA PRO A 47 10.227 4.118 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.830 4.457 0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.987 2.941 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.998 3.659 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.871 2.185 -0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.926 2.323 -2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.163 1.291 -1.730 1.00 0.00 H new ATOM 757 N LEU A 48 10.552 6.469 -0.808 1.00 0.00 N ATOM 758 CA LEU A 48 10.706 7.904 -1.184 1.00 0.00 C ATOM 759 C LEU A 48 11.708 8.570 -0.239 1.00 0.00 C ATOM 760 O LEU A 48 12.768 9.001 -0.645 1.00 0.00 O ATOM 761 CB LEU A 48 9.348 8.607 -1.071 1.00 0.00 C ATOM 762 CG LEU A 48 9.427 10.025 -1.677 1.00 0.00 C ATOM 763 CD1 LEU A 48 9.250 9.966 -3.201 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.317 10.900 -1.085 1.00 0.00 C ATOM 0 H LEU A 48 9.752 6.262 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 48 11.069 7.978 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.585 8.025 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.048 8.667 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 48 10.404 10.448 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.308 10.973 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.038 9.350 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.278 9.533 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.375 11.900 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.346 10.462 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.440 10.961 -0.004 1.00 0.00 H new ATOM 776 N ALA A 49 11.381 8.660 1.022 1.00 0.00 N ATOM 777 CA ALA A 49 12.315 9.299 1.990 1.00 0.00 C ATOM 778 C ALA A 49 11.796 9.094 3.415 1.00 0.00 C ATOM 779 O ALA A 49 12.398 8.402 4.211 1.00 0.00 O ATOM 780 CB ALA A 49 12.411 10.797 1.692 1.00 0.00 C ATOM 0 H ALA A 49 10.507 8.318 1.423 1.00 0.00 H new ATOM 0 HA ALA A 49 13.301 8.845 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.094 11.266 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.783 10.943 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.424 11.251 1.786 1.00 0.00 H new ATOM 786 N ASP A 50 10.685 9.694 3.745 1.00 0.00 N ATOM 787 CA ASP A 50 10.131 9.536 5.121 1.00 0.00 C ATOM 788 C ASP A 50 9.376 8.209 5.221 1.00 0.00 C ATOM 789 O ASP A 50 9.543 7.459 6.162 1.00 0.00 O ATOM 790 CB ASP A 50 9.174 10.691 5.420 1.00 0.00 C ATOM 791 CG ASP A 50 9.971 11.984 5.594 1.00 0.00 C ATOM 792 OD1 ASP A 50 11.131 11.998 5.217 1.00 0.00 O ATOM 793 OD2 ASP A 50 9.408 12.941 6.102 1.00 0.00 O ATOM 0 H ASP A 50 10.137 10.287 3.122 1.00 0.00 H new ATOM 0 HA ASP A 50 10.947 9.543 5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.456 10.801 4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.603 10.479 6.324 1.00 0.00 H new ATOM 798 N ALA A 51 8.544 7.913 4.260 1.00 0.00 N ATOM 799 CA ALA A 51 7.779 6.635 4.303 1.00 0.00 C ATOM 800 C ALA A 51 6.926 6.506 3.040 1.00 0.00 C ATOM 801 O ALA A 51 6.695 5.421 2.542 1.00 0.00 O ATOM 802 CB ALA A 51 6.870 6.626 5.536 1.00 0.00 C ATOM 0 H ALA A 51 8.361 8.501 3.447 1.00 0.00 H new ATOM 0 HA ALA A 51 8.475 5.798 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.310 5.691 5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.477 6.716 6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.175 7.464 5.482 1.00 0.00 H new ATOM 808 N ARG A 52 6.454 7.605 2.517 1.00 0.00 N ATOM 809 CA ARG A 52 5.616 7.542 1.288 1.00 0.00 C ATOM 810 C ARG A 52 6.331 6.701 0.230 1.00 0.00 C ATOM 811 O ARG A 52 7.536 6.766 0.088 1.00 0.00 O ATOM 812 CB ARG A 52 5.390 8.957 0.751 1.00 0.00 C ATOM 813 CG ARG A 52 4.709 9.808 1.826 1.00 0.00 C ATOM 814 CD ARG A 52 4.263 11.139 1.218 1.00 0.00 C ATOM 815 NE ARG A 52 3.912 12.090 2.309 1.00 0.00 N ATOM 816 CZ ARG A 52 3.857 13.371 2.066 1.00 0.00 C ATOM 817 NH1 ARG A 52 4.112 13.820 0.868 1.00 0.00 N ATOM 818 NH2 ARG A 52 3.549 14.204 3.023 1.00 0.00 N ATOM 0 H ARG A 52 6.613 8.542 2.888 1.00 0.00 H new ATOM 0 HA ARG A 52 4.654 7.088 1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.342 9.406 0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.772 8.923 -0.146 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.849 9.277 2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.396 9.986 2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.060 11.555 0.601 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.403 10.983 0.566 1.00 0.00 H new ATOM 0 HE ARG A 52 3.715 11.740 3.246 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.355 13.170 0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.069 14.821 0.679 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.351 13.853 3.960 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.506 15.205 2.833 1.00 0.00 H new ATOM 832 N TYR A 53 5.598 5.912 -0.513 1.00 0.00 N ATOM 833 CA TYR A 53 6.228 5.059 -1.568 1.00 0.00 C ATOM 834 C TYR A 53 5.980 5.686 -2.940 1.00 0.00 C ATOM 835 O TYR A 53 5.204 6.609 -3.079 1.00 0.00 O ATOM 836 CB TYR A 53 5.599 3.664 -1.530 1.00 0.00 C ATOM 837 CG TYR A 53 6.115 2.909 -0.328 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.476 3.045 0.911 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.231 2.073 -0.452 1.00 0.00 C ATOM 840 CE1 TYR A 53 5.955 2.346 2.025 1.00 0.00 C ATOM 841 CE2 TYR A 53 7.709 1.373 0.662 1.00 0.00 C ATOM 842 CZ TYR A 53 7.072 1.510 1.901 1.00 0.00 C ATOM 843 OH TYR A 53 7.542 0.820 2.999 1.00 0.00 O ATOM 0 H TYR A 53 4.585 5.821 -0.435 1.00 0.00 H new ATOM 0 HA TYR A 53 7.300 4.985 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.513 3.745 -1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.839 3.121 -2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.614 3.689 1.007 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.723 1.968 -1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.463 2.451 2.981 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.569 0.727 0.566 1.00 0.00 H new ATOM 0 HH TYR A 53 8.322 0.286 2.740 1.00 0.00 H new ATOM 853 N CYS A 54 6.634 5.189 -3.956 1.00 0.00 N ATOM 854 CA CYS A 54 6.445 5.746 -5.331 1.00 0.00 C ATOM 855 C CYS A 54 6.421 4.592 -6.332 1.00 0.00 C ATOM 856 O CYS A 54 7.385 3.867 -6.480 1.00 0.00 O ATOM 857 CB CYS A 54 7.602 6.692 -5.661 1.00 0.00 C ATOM 858 SG CYS A 54 7.424 7.291 -7.359 1.00 0.00 S ATOM 0 H CYS A 54 7.296 4.416 -3.894 1.00 0.00 H new ATOM 0 HA CYS A 54 5.507 6.298 -5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.609 7.532 -4.966 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.554 6.174 -5.544 1.00 0.00 H new ATOM 0 HG CYS A 54 8.405 8.096 -7.640 1.00 0.00 H new ATOM 864 N LEU A 55 5.324 4.409 -7.017 1.00 0.00 N ATOM 865 CA LEU A 55 5.233 3.292 -8.004 1.00 0.00 C ATOM 866 C LEU A 55 5.687 3.780 -9.380 1.00 0.00 C ATOM 867 O LEU A 55 5.473 4.916 -9.750 1.00 0.00 O ATOM 868 CB LEU A 55 3.784 2.783 -8.079 1.00 0.00 C ATOM 869 CG LEU A 55 2.797 3.950 -8.375 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.452 3.992 -9.870 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.503 3.755 -7.568 1.00 0.00 C ATOM 0 H LEU A 55 4.486 4.985 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 55 5.881 2.476 -7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.701 2.025 -8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.514 2.304 -7.138 1.00 0.00 H new ATOM 0 HG LEU A 55 3.274 4.887 -8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.761 4.813 -10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.363 4.142 -10.450 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.987 3.051 -10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.816 4.574 -7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.038 2.810 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.737 3.742 -6.503 1.00 0.00 H new ATOM 883 N ASN A 56 6.322 2.923 -10.136 1.00 0.00 N ATOM 884 CA ASN A 56 6.800 3.325 -11.492 1.00 0.00 C ATOM 885 C ASN A 56 7.760 4.511 -11.370 1.00 0.00 C ATOM 886 O ASN A 56 8.116 5.136 -12.348 1.00 0.00 O ATOM 887 CB ASN A 56 5.605 3.718 -12.367 1.00 0.00 C ATOM 888 CG ASN A 56 4.494 2.679 -12.209 1.00 0.00 C ATOM 889 OD1 ASN A 56 4.708 1.624 -11.644 1.00 0.00 O ATOM 890 ND2 ASN A 56 3.307 2.932 -12.688 1.00 0.00 N ATOM 0 H ASN A 56 6.531 1.960 -9.872 1.00 0.00 H new ATOM 0 HA ASN A 56 7.321 2.485 -11.952 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.239 4.704 -12.080 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.911 3.783 -13.411 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.560 2.245 -12.588 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.126 3.817 -13.162 1.00 0.00 H new ATOM 897 N ASN A 57 8.187 4.817 -10.175 1.00 0.00 N ATOM 898 CA ASN A 57 9.134 5.953 -9.980 1.00 0.00 C ATOM 899 C ASN A 57 8.487 7.269 -10.427 1.00 0.00 C ATOM 900 O ASN A 57 9.119 8.097 -11.053 1.00 0.00 O ATOM 901 CB ASN A 57 10.410 5.702 -10.793 1.00 0.00 C ATOM 902 CG ASN A 57 10.783 4.220 -10.711 1.00 0.00 C ATOM 903 OD1 ASN A 57 10.746 3.631 -9.648 1.00 0.00 O ATOM 904 ND2 ASN A 57 11.144 3.590 -11.795 1.00 0.00 N ATOM 0 H ASN A 57 7.920 4.327 -9.321 1.00 0.00 H new ATOM 0 HA ASN A 57 9.384 6.027 -8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.255 5.992 -11.832 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.225 6.315 -10.409 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.395 2.602 -11.751 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.175 4.085 -12.686 1.00 0.00 H new ATOM 911 N ASN A 58 7.232 7.471 -10.100 1.00 0.00 N ATOM 912 CA ASN A 58 6.527 8.733 -10.488 1.00 0.00 C ATOM 913 C ASN A 58 5.895 9.352 -9.229 1.00 0.00 C ATOM 914 O ASN A 58 4.773 9.040 -8.887 1.00 0.00 O ATOM 915 CB ASN A 58 5.424 8.397 -11.499 1.00 0.00 C ATOM 916 CG ASN A 58 5.969 7.428 -12.548 1.00 0.00 C ATOM 917 OD1 ASN A 58 7.167 7.279 -12.691 1.00 0.00 O ATOM 918 ND2 ASN A 58 5.135 6.758 -13.296 1.00 0.00 N ATOM 0 H ASN A 58 6.661 6.808 -9.576 1.00 0.00 H new ATOM 0 HA ASN A 58 7.230 9.437 -10.934 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.570 7.953 -10.987 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.068 9.308 -11.980 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.489 6.110 -14.000 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.130 6.882 -13.177 1.00 0.00 H new ATOM 925 N PRO A 59 6.610 10.210 -8.531 1.00 0.00 N ATOM 926 CA PRO A 59 6.096 10.856 -7.283 1.00 0.00 C ATOM 927 C PRO A 59 4.658 11.373 -7.427 1.00 0.00 C ATOM 928 O PRO A 59 4.036 11.780 -6.466 1.00 0.00 O ATOM 929 CB PRO A 59 7.077 12.011 -7.055 1.00 0.00 C ATOM 930 CG PRO A 59 8.364 11.526 -7.637 1.00 0.00 C ATOM 931 CD PRO A 59 7.980 10.664 -8.845 1.00 0.00 C ATOM 0 HA PRO A 59 6.046 10.153 -6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.738 12.923 -7.546 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.182 12.240 -5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.996 12.361 -7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.929 10.946 -6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.009 11.238 -9.771 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.662 9.823 -8.969 1.00 0.00 H new ATOM 939 N THR A 60 4.127 11.353 -8.617 1.00 0.00 N ATOM 940 CA THR A 60 2.729 11.834 -8.821 1.00 0.00 C ATOM 941 C THR A 60 1.756 10.734 -8.390 1.00 0.00 C ATOM 942 O THR A 60 0.580 10.968 -8.193 1.00 0.00 O ATOM 943 CB THR A 60 2.517 12.150 -10.307 1.00 0.00 C ATOM 944 OG1 THR A 60 1.147 11.964 -10.636 1.00 0.00 O ATOM 945 CG2 THR A 60 3.381 11.216 -11.163 1.00 0.00 C ATOM 0 H THR A 60 4.600 11.024 -9.459 1.00 0.00 H new ATOM 0 HA THR A 60 2.554 12.732 -8.229 1.00 0.00 H new ATOM 0 HB THR A 60 2.804 13.183 -10.503 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.008 12.166 -11.585 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.228 11.444 -12.218 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.432 11.359 -10.910 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.099 10.181 -10.970 1.00 0.00 H new ATOM 953 N GLN A 61 2.251 9.532 -8.248 1.00 0.00 N ATOM 954 CA GLN A 61 1.395 8.374 -7.832 1.00 0.00 C ATOM 955 C GLN A 61 2.026 7.707 -6.611 1.00 0.00 C ATOM 956 O GLN A 61 2.482 6.585 -6.678 1.00 0.00 O ATOM 957 CB GLN A 61 1.309 7.357 -8.973 1.00 0.00 C ATOM 958 CG GLN A 61 0.838 8.052 -10.251 1.00 0.00 C ATOM 959 CD GLN A 61 -0.622 8.482 -10.092 1.00 0.00 C ATOM 960 OE1 GLN A 61 -0.899 9.619 -9.767 1.00 0.00 O ATOM 961 NE2 GLN A 61 -1.572 7.615 -10.309 1.00 0.00 N ATOM 0 H GLN A 61 3.231 9.297 -8.405 1.00 0.00 H new ATOM 0 HA GLN A 61 0.393 8.729 -7.591 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.283 6.897 -9.136 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.619 6.556 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.463 8.921 -10.456 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.939 7.378 -11.102 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.339 6.660 -10.582 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.548 7.892 -10.206 1.00 0.00 H new ATOM 970 N THR A 62 2.087 8.393 -5.500 1.00 0.00 N ATOM 971 CA THR A 62 2.727 7.795 -4.289 1.00 0.00 C ATOM 972 C THR A 62 1.665 7.138 -3.408 1.00 0.00 C ATOM 973 O THR A 62 0.499 7.100 -3.746 1.00 0.00 O ATOM 974 CB THR A 62 3.429 8.898 -3.494 1.00 0.00 C ATOM 975 OG1 THR A 62 2.485 9.900 -3.142 1.00 0.00 O ATOM 976 CG2 THR A 62 4.537 9.516 -4.347 1.00 0.00 C ATOM 0 H THR A 62 1.723 9.338 -5.378 1.00 0.00 H new ATOM 0 HA THR A 62 3.451 7.042 -4.600 1.00 0.00 H new ATOM 0 HB THR A 62 3.864 8.474 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.933 10.606 -2.631 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.037 10.302 -3.781 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.261 8.747 -4.617 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.105 9.941 -5.253 1.00 0.00 H new ATOM 984 N LEU A 63 2.071 6.585 -2.294 1.00 0.00 N ATOM 985 CA LEU A 63 1.103 5.886 -1.398 1.00 0.00 C ATOM 986 C LEU A 63 1.475 6.143 0.070 1.00 0.00 C ATOM 987 O LEU A 63 2.631 6.093 0.442 1.00 0.00 O ATOM 988 CB LEU A 63 1.181 4.379 -1.713 1.00 0.00 C ATOM 989 CG LEU A 63 -0.176 3.693 -1.498 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.219 4.210 -2.517 1.00 0.00 C ATOM 991 CD2 LEU A 63 0.017 2.180 -1.667 1.00 0.00 C ATOM 0 H LEU A 63 3.037 6.588 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 63 0.090 6.254 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.503 4.237 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.932 3.911 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.545 3.919 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.173 3.711 -2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.345 5.286 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.875 3.998 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.936 1.673 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.387 1.970 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.738 1.821 -0.932 1.00 0.00 H new ATOM 1003 N LYS A 64 0.503 6.418 0.907 1.00 0.00 N ATOM 1004 CA LYS A 64 0.791 6.679 2.352 1.00 0.00 C ATOM 1005 C LYS A 64 0.462 5.436 3.181 1.00 0.00 C ATOM 1006 O LYS A 64 -0.480 4.722 2.895 1.00 0.00 O ATOM 1007 CB LYS A 64 -0.072 7.846 2.834 1.00 0.00 C ATOM 1008 CG LYS A 64 0.313 9.117 2.072 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.217 10.343 2.817 1.00 0.00 C ATOM 1010 CE LYS A 64 -1.743 10.266 2.927 1.00 0.00 C ATOM 1011 NZ LYS A 64 -2.320 9.880 1.608 1.00 0.00 N ATOM 0 H LYS A 64 -0.482 6.473 0.649 1.00 0.00 H new ATOM 0 HA LYS A 64 1.847 6.922 2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.127 7.621 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.066 7.996 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.397 9.180 1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.098 9.087 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.226 10.395 3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.073 11.253 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.027 9.538 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.144 11.229 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.299 10.224 1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.753 10.302 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.311 8.844 1.515 1.00 0.00 H new ATOM 1025 N ILE A 65 1.229 5.179 4.212 1.00 0.00 N ATOM 1026 CA ILE A 65 0.966 3.986 5.079 1.00 0.00 C ATOM 1027 C ILE A 65 0.303 4.440 6.380 1.00 0.00 C ATOM 1028 O ILE A 65 0.718 5.402 6.996 1.00 0.00 O ATOM 1029 CB ILE A 65 2.286 3.280 5.412 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.340 4.313 5.825 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.783 2.511 4.190 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.633 3.597 6.232 1.00 0.00 C ATOM 0 H ILE A 65 2.029 5.746 4.492 1.00 0.00 H new ATOM 0 HA ILE A 65 0.310 3.297 4.547 1.00 0.00 H new ATOM 0 HB ILE A 65 2.118 2.586 6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.536 4.997 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.969 4.914 6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.721 2.011 4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.040 1.768 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.943 3.204 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.380 4.334 6.525 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.432 2.931 7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.008 3.016 5.389 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.721 3.748 6.807 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.417 4.118 8.078 1.00 0.00 C ATOM 1046 C ARG A 66 -1.052 3.095 9.154 1.00 0.00 C ATOM 1047 O ARG A 66 -1.059 3.388 10.333 1.00 0.00 O ATOM 1048 CB ARG A 66 -2.931 4.103 7.851 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.629 4.800 9.021 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.140 4.794 8.790 1.00 0.00 C ATOM 1051 NE ARG A 66 -5.806 5.627 9.832 1.00 0.00 N ATOM 1052 CZ ARG A 66 -7.044 6.006 9.672 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -7.700 5.656 8.599 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -7.627 6.734 10.584 1.00 0.00 N ATOM 0 H ARG A 66 -1.109 2.936 6.327 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.111 5.115 8.395 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.174 4.607 6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.286 3.076 7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.391 4.291 9.955 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.269 5.824 9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.368 5.183 7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.520 3.773 8.828 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.293 5.901 10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.245 5.086 7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.668 5.952 8.474 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.115 7.007 11.423 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.595 7.030 10.458 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.727 1.893 8.753 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.356 0.847 9.747 1.00 0.00 C ATOM 1070 C ASN A 67 0.026 -0.445 9.015 1.00 0.00 C ATOM 1071 O ASN A 67 -0.823 -1.171 8.537 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.545 0.576 10.673 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.830 0.504 9.845 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -3.005 -0.398 9.051 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.742 1.425 9.998 1.00 0.00 N ATOM 0 H ASN A 67 -0.703 1.592 7.779 1.00 0.00 H new ATOM 0 HA ASN A 67 0.492 1.194 10.337 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.394 -0.359 11.212 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.625 1.365 11.420 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.602 1.387 9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.595 2.183 10.665 1.00 0.00 H new ATOM 1082 N ALA A 68 1.300 -0.739 8.927 1.00 0.00 N ATOM 1083 CA ALA A 68 1.736 -1.989 8.234 1.00 0.00 C ATOM 1084 C ALA A 68 1.705 -3.159 9.217 1.00 0.00 C ATOM 1085 O ALA A 68 1.805 -2.979 10.415 1.00 0.00 O ATOM 1086 CB ALA A 68 3.160 -1.817 7.704 1.00 0.00 C ATOM 0 H ALA A 68 2.056 -0.167 9.305 1.00 0.00 H new ATOM 0 HA ALA A 68 1.059 -2.190 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.473 -2.731 7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.188 -0.986 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.835 -1.611 8.535 1.00 0.00 H new ATOM 1092 N THR A 69 1.570 -4.361 8.720 1.00 0.00 N ATOM 1093 CA THR A 69 1.536 -5.556 9.618 1.00 0.00 C ATOM 1094 C THR A 69 2.281 -6.711 8.947 1.00 0.00 C ATOM 1095 O THR A 69 2.217 -6.888 7.747 1.00 0.00 O ATOM 1096 CB THR A 69 0.084 -5.964 9.872 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.632 -4.858 10.401 1.00 0.00 O ATOM 1098 CG2 THR A 69 0.046 -7.124 10.870 1.00 0.00 C ATOM 0 H THR A 69 1.481 -4.568 7.725 1.00 0.00 H new ATOM 0 HA THR A 69 2.014 -5.314 10.567 1.00 0.00 H new ATOM 0 HB THR A 69 -0.375 -6.278 8.935 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.572 -4.916 10.129 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.989 -7.415 11.051 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.595 -7.973 10.462 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.504 -6.812 11.808 1.00 0.00 H new ATOM 1106 N HIS A 70 2.992 -7.495 9.710 1.00 0.00 N ATOM 1107 CA HIS A 70 3.747 -8.634 9.113 1.00 0.00 C ATOM 1108 C HIS A 70 2.772 -9.734 8.688 1.00 0.00 C ATOM 1109 O HIS A 70 2.964 -10.895 8.989 1.00 0.00 O ATOM 1110 CB HIS A 70 4.724 -9.193 10.148 1.00 0.00 C ATOM 1111 CG HIS A 70 5.548 -8.070 10.717 1.00 0.00 C ATOM 1112 ND1 HIS A 70 6.050 -7.047 9.926 1.00 0.00 N ATOM 1113 CD2 HIS A 70 5.965 -7.796 11.997 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.734 -6.211 10.731 1.00 0.00 C ATOM 1115 NE2 HIS A 70 6.711 -6.623 11.999 1.00 0.00 N ATOM 0 H HIS A 70 3.083 -7.397 10.721 1.00 0.00 H new ATOM 0 HA HIS A 70 4.298 -8.284 8.240 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.177 -9.697 10.945 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.373 -9.937 9.686 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.747 -8.398 12.867 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.238 -5.318 10.392 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.149 -6.172 12.802 1.00 0.00 H new ATOM 1124 N TYR A 71 1.727 -9.381 7.989 1.00 0.00 N ATOM 1125 CA TYR A 71 0.747 -10.411 7.545 1.00 0.00 C ATOM 1126 C TYR A 71 0.328 -11.262 8.745 1.00 0.00 C ATOM 1127 O TYR A 71 0.465 -12.469 8.744 1.00 0.00 O ATOM 1128 CB TYR A 71 1.394 -11.302 6.480 1.00 0.00 C ATOM 1129 CG TYR A 71 0.455 -12.434 6.122 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.733 -12.163 5.434 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.771 -13.752 6.477 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.604 -13.206 5.101 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -0.100 -14.795 6.145 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.288 -14.523 5.456 1.00 0.00 C ATOM 1135 OH TYR A 71 -2.146 -15.552 5.128 1.00 0.00 O ATOM 0 H TYR A 71 1.511 -8.425 7.707 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.132 -9.924 7.123 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.625 -10.714 5.592 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.337 -11.703 6.851 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.978 -11.147 5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.688 -13.963 7.007 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.520 -12.995 4.570 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.144 -15.810 6.420 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.775 -16.401 5.447 1.00 0.00 H new ATOM 1145 N SER A 72 -0.184 -10.642 9.773 1.00 0.00 N ATOM 1146 CA SER A 72 -0.614 -11.415 10.972 1.00 0.00 C ATOM 1147 C SER A 72 -1.945 -12.108 10.677 1.00 0.00 C ATOM 1148 O SER A 72 -2.756 -11.617 9.916 1.00 0.00 O ATOM 1149 CB SER A 72 -0.785 -10.465 12.157 1.00 0.00 C ATOM 1150 OG SER A 72 -0.857 -11.222 13.358 1.00 0.00 O ATOM 0 H SER A 72 -0.323 -9.633 9.834 1.00 0.00 H new ATOM 0 HA SER A 72 0.141 -12.163 11.214 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.051 -9.767 12.203 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.690 -9.870 12.034 1.00 0.00 H new ATOM 0 HG SER A 72 -0.965 -10.616 14.121 1.00 0.00 H new ATOM 1156 N SER A 73 -2.178 -13.245 11.272 1.00 0.00 N ATOM 1157 CA SER A 73 -3.457 -13.965 11.023 1.00 0.00 C ATOM 1158 C SER A 73 -4.617 -13.165 11.618 1.00 0.00 C ATOM 1159 O SER A 73 -5.756 -13.325 11.230 1.00 0.00 O ATOM 1160 CB SER A 73 -3.401 -15.345 11.678 1.00 0.00 C ATOM 1161 OG SER A 73 -2.383 -16.119 11.056 1.00 0.00 O ATOM 0 H SER A 73 -1.538 -13.706 11.919 1.00 0.00 H new ATOM 0 HA SER A 73 -3.607 -14.078 9.949 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.198 -15.246 12.744 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.365 -15.845 11.582 1.00 0.00 H new ATOM 0 HG SER A 73 -2.343 -17.004 11.475 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.337 -12.305 12.559 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.424 -11.498 13.179 1.00 0.00 C ATOM 1169 C GLU A 74 -5.805 -10.344 12.248 1.00 0.00 C ATOM 1170 O GLU A 74 -6.959 -9.982 12.133 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.941 -10.934 14.517 1.00 0.00 C ATOM 1172 CG GLU A 74 -4.509 -12.083 15.428 1.00 0.00 C ATOM 1173 CD GLU A 74 -4.052 -11.522 16.776 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -3.520 -10.424 16.789 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -4.243 -12.199 17.773 1.00 0.00 O ATOM 0 H GLU A 74 -3.402 -12.127 12.925 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.295 -12.132 13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.108 -10.250 14.356 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.737 -10.360 14.991 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.337 -12.777 15.573 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.699 -12.645 14.963 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.844 -9.760 11.587 1.00 0.00 N ATOM 1183 CA ARG A 75 -5.151 -8.626 10.669 1.00 0.00 C ATOM 1184 C ARG A 75 -5.882 -9.149 9.430 1.00 0.00 C ATOM 1185 O ARG A 75 -6.887 -8.607 9.017 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.843 -7.948 10.242 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.143 -6.626 9.509 1.00 0.00 C ATOM 1188 CD ARG A 75 -4.328 -5.486 10.519 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.472 -4.195 9.787 1.00 0.00 N ATOM 1190 CZ ARG A 75 -4.736 -3.099 10.444 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.875 -3.132 11.740 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.863 -1.970 9.802 1.00 0.00 N ATOM 0 H ARG A 75 -3.859 -10.019 11.643 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.785 -7.905 11.185 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.223 -7.754 11.117 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.276 -8.613 9.590 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.327 -6.387 8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.043 -6.734 8.904 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.210 -5.669 11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.473 -5.441 11.194 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.364 -4.169 8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.777 -4.015 12.241 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.081 -2.275 12.253 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.756 -1.945 8.788 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.069 -1.112 10.314 1.00 0.00 H new ATOM 1206 N TRP A 76 -5.383 -10.195 8.833 1.00 0.00 N ATOM 1207 CA TRP A 76 -6.048 -10.748 7.619 1.00 0.00 C ATOM 1208 C TRP A 76 -7.436 -11.277 7.988 1.00 0.00 C ATOM 1209 O TRP A 76 -8.375 -11.162 7.227 1.00 0.00 O ATOM 1210 CB TRP A 76 -5.198 -11.885 7.048 1.00 0.00 C ATOM 1211 CG TRP A 76 -5.907 -12.507 5.888 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -6.434 -13.753 5.878 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -6.175 -11.939 4.574 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -7.008 -13.985 4.641 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -6.876 -12.896 3.802 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.883 -10.696 3.982 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -7.271 -12.631 2.491 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -6.280 -10.426 2.662 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.972 -11.392 1.918 1.00 0.00 C ATOM 0 H TRP A 76 -4.544 -10.691 9.133 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.152 -9.962 6.871 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.227 -11.503 6.732 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.011 -12.634 7.817 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -6.410 -14.452 6.701 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -7.472 -14.855 4.380 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.350 -9.945 4.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -7.804 -13.378 1.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -6.051 -9.469 2.218 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.274 -11.179 0.903 1.00 0.00 H new ATOM 1230 N THR A 77 -7.575 -11.857 9.150 1.00 0.00 N ATOM 1231 CA THR A 77 -8.903 -12.391 9.561 1.00 0.00 C ATOM 1232 C THR A 77 -9.770 -11.247 10.090 1.00 0.00 C ATOM 1233 O THR A 77 -10.981 -11.276 9.991 1.00 0.00 O ATOM 1234 CB THR A 77 -8.708 -13.437 10.660 1.00 0.00 C ATOM 1235 OG1 THR A 77 -8.015 -12.850 11.753 1.00 0.00 O ATOM 1236 CG2 THR A 77 -7.899 -14.613 10.109 1.00 0.00 C ATOM 0 H THR A 77 -6.826 -11.983 9.831 1.00 0.00 H new ATOM 0 HA THR A 77 -9.395 -12.851 8.704 1.00 0.00 H new ATOM 0 HB THR A 77 -9.680 -13.796 10.998 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.181 -13.340 11.913 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.760 -15.358 10.892 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.434 -15.062 9.272 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.926 -14.258 9.770 1.00 0.00 H new ATOM 1244 N ASN A 78 -9.160 -10.234 10.647 1.00 0.00 N ATOM 1245 CA ASN A 78 -9.947 -9.085 11.178 1.00 0.00 C ATOM 1246 C ASN A 78 -10.233 -8.104 10.040 1.00 0.00 C ATOM 1247 O ASN A 78 -11.170 -7.334 10.089 1.00 0.00 O ATOM 1248 CB ASN A 78 -9.144 -8.377 12.271 1.00 0.00 C ATOM 1249 CG ASN A 78 -9.957 -7.206 12.826 1.00 0.00 C ATOM 1250 OD1 ASN A 78 -11.123 -7.060 12.515 1.00 0.00 O ATOM 1251 ND2 ASN A 78 -9.388 -6.360 13.640 1.00 0.00 N ATOM 0 H ASN A 78 -8.149 -10.154 10.757 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.886 -9.447 11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.903 -9.077 13.071 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.198 -8.017 11.866 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.922 -5.576 14.016 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.410 -6.483 13.901 1.00 0.00 H new ATOM 1258 N ALA A 79 -9.428 -8.131 9.012 1.00 0.00 N ATOM 1259 CA ALA A 79 -9.649 -7.203 7.867 1.00 0.00 C ATOM 1260 C ALA A 79 -10.736 -7.772 6.954 1.00 0.00 C ATOM 1261 O ALA A 79 -11.749 -7.145 6.712 1.00 0.00 O ATOM 1262 CB ALA A 79 -8.348 -7.050 7.076 1.00 0.00 C ATOM 0 H ALA A 79 -8.627 -8.756 8.916 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.962 -6.229 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.509 -6.371 6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.572 -6.646 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.035 -8.024 6.699 1.00 0.00 H new ATOM 1268 N ASP A 80 -10.536 -8.957 6.445 1.00 0.00 N ATOM 1269 CA ASP A 80 -11.558 -9.566 5.549 1.00 0.00 C ATOM 1270 C ASP A 80 -12.918 -9.567 6.252 1.00 0.00 C ATOM 1271 O ASP A 80 -13.934 -9.260 5.661 1.00 0.00 O ATOM 1272 CB ASP A 80 -11.155 -11.005 5.218 1.00 0.00 C ATOM 1273 CG ASP A 80 -12.258 -11.666 4.389 1.00 0.00 C ATOM 1274 OD1 ASP A 80 -12.977 -10.948 3.714 1.00 0.00 O ATOM 1275 OD2 ASP A 80 -12.364 -12.881 4.443 1.00 0.00 O ATOM 0 H ASP A 80 -9.708 -9.530 6.611 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.625 -8.986 4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.216 -11.013 4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.989 -11.568 6.137 1.00 0.00 H new ATOM 1280 N LYS A 81 -12.945 -9.909 7.511 1.00 0.00 N ATOM 1281 CA LYS A 81 -14.239 -9.930 8.250 1.00 0.00 C ATOM 1282 C LYS A 81 -14.979 -8.610 8.020 1.00 0.00 C ATOM 1283 O LYS A 81 -14.386 -7.572 8.261 1.00 0.00 O ATOM 1284 CB LYS A 81 -13.970 -10.108 9.746 1.00 0.00 C ATOM 1285 CG LYS A 81 -15.296 -10.276 10.490 1.00 0.00 C ATOM 1286 CD LYS A 81 -15.027 -10.439 11.987 1.00 0.00 C ATOM 1287 CE LYS A 81 -16.353 -10.434 12.749 1.00 0.00 C ATOM 1288 NZ LYS A 81 -16.099 -10.719 14.190 1.00 0.00 N ATOM 0 H LYS A 81 -12.127 -10.175 8.060 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.849 -10.758 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.336 -10.979 9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.431 -9.244 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.934 -9.409 10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.831 -11.146 10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.493 -11.371 12.172 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.388 -9.630 12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.844 -9.467 12.640 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.027 -11.183 12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.000 -10.716 14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.648 -11.651 14.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.471 -9.989 14.583 1.00 0.00 H new TER 1302 LYS A 81