USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 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 72 ASN : amide:sc= -0.0313 K(o=-0.031,f=-1.4!) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 20 THR OG1 : rot 180:sc= -3.03 USER MOD Set 2.2: A 23 GLN : amide:sc= -8.46! C(o=-11!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.55) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0386 USER MOD Single : A 10 ASN : amide:sc= -0.645! C(o=-0.64!,f=-9.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= -0.0115 (180deg=-0.231) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -18:sc= -1.25 USER MOD Single : A 25 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0724 F(o=-1,f=-0.072) USER MOD Single : A 34 GLN :FLIP amide:sc= -6.99! C(o=-9!,f=-7!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.35 USER MOD Single : A 44 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 46 THR OG1 : rot -25:sc= -4.43! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -81:sc= -4.73! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.3) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.76) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.3!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 9:sc= -3.43! USER MOD Single : A 68 LYS NZ :NH3+ 151:sc= -2.09! (180deg=-2.92!) USER MOD Single : A 71 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -142:sc= 0 (180deg=-1.52!) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.25 F(o=-0.95,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.862 -3.888 22.927 1.00 0.00 N ATOM 2 CA GLY A 1 33.937 -2.903 22.468 1.00 0.00 C ATOM 3 C GLY A 1 33.535 -1.547 21.995 1.00 0.00 C ATOM 4 O GLY A 1 34.060 -0.544 22.437 1.00 0.00 O ATOM 0 H1 GLY A 1 33.311 -4.779 23.222 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.338 -3.482 23.729 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.205 -4.075 22.143 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.632 -2.767 23.297 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.493 -3.379 21.661 1.00 0.00 H new ATOM 10 N SER A 2 32.600 -1.477 21.088 1.00 0.00 N ATOM 11 CA SER A 2 32.157 -0.151 20.575 1.00 0.00 C ATOM 12 C SER A 2 30.640 -0.164 20.372 1.00 0.00 C ATOM 13 O SER A 2 29.917 0.612 20.963 1.00 0.00 O ATOM 14 CB SER A 2 32.850 0.138 19.243 1.00 0.00 C ATOM 15 OG SER A 2 33.815 -0.875 18.987 1.00 0.00 O ATOM 0 H SER A 2 32.124 -2.281 20.680 1.00 0.00 H new ATOM 0 HA SER A 2 32.420 0.624 21.295 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.116 0.170 18.437 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.331 1.115 19.275 1.00 0.00 H new ATOM 0 HG SER A 2 34.260 -0.694 18.133 1.00 0.00 H new ATOM 21 N HIS A 3 30.152 -1.044 19.540 1.00 0.00 N ATOM 22 CA HIS A 3 28.683 -1.110 19.299 1.00 0.00 C ATOM 23 C HIS A 3 28.182 0.247 18.799 1.00 0.00 C ATOM 24 O HIS A 3 28.839 0.919 18.029 1.00 0.00 O ATOM 25 CB HIS A 3 27.969 -1.467 20.604 1.00 0.00 C ATOM 26 CG HIS A 3 26.758 -2.305 20.300 1.00 0.00 C ATOM 27 ND1 HIS A 3 26.837 -3.479 19.567 1.00 0.00 N ATOM 28 CD2 HIS A 3 25.432 -2.153 20.622 1.00 0.00 C ATOM 29 CE1 HIS A 3 25.593 -3.982 19.474 1.00 0.00 C ATOM 30 NE2 HIS A 3 24.698 -3.213 20.099 1.00 0.00 N ATOM 0 H HIS A 3 30.708 -1.720 19.017 1.00 0.00 H new ATOM 0 HA HIS A 3 28.474 -1.872 18.548 1.00 0.00 H new ATOM 0 HB2 HIS A 3 28.645 -2.011 21.264 1.00 0.00 H new ATOM 0 HB3 HIS A 3 27.673 -0.559 21.129 1.00 0.00 H new ATOM 0 HD2 HIS A 3 25.021 -1.335 21.195 1.00 0.00 H new ATOM 0 HE1 HIS A 3 25.348 -4.897 18.956 1.00 0.00 H new ATOM 0 HE2 HIS A 3 23.693 -3.369 20.176 1.00 0.00 H new ATOM 38 N MET A 4 27.020 0.655 19.232 1.00 0.00 N ATOM 39 CA MET A 4 26.472 1.967 18.782 1.00 0.00 C ATOM 40 C MET A 4 26.336 1.967 17.258 1.00 0.00 C ATOM 41 O MET A 4 25.332 1.553 16.714 1.00 0.00 O ATOM 42 CB MET A 4 27.418 3.091 19.211 1.00 0.00 C ATOM 43 CG MET A 4 26.782 4.444 18.885 1.00 0.00 C ATOM 44 SD MET A 4 25.884 5.054 20.332 1.00 0.00 S ATOM 45 CE MET A 4 24.618 5.987 19.437 1.00 0.00 C ATOM 0 H MET A 4 26.426 0.136 19.879 1.00 0.00 H new ATOM 0 HA MET A 4 25.493 2.126 19.234 1.00 0.00 H new ATOM 0 HB2 MET A 4 27.622 3.021 20.279 1.00 0.00 H new ATOM 0 HB3 MET A 4 28.374 2.993 18.696 1.00 0.00 H new ATOM 0 HG2 MET A 4 27.552 5.159 18.594 1.00 0.00 H new ATOM 0 HG3 MET A 4 26.103 4.344 18.038 1.00 0.00 H new ATOM 0 HE1 MET A 4 23.940 6.457 20.150 1.00 0.00 H new ATOM 0 HE2 MET A 4 25.095 6.756 18.829 1.00 0.00 H new ATOM 0 HE3 MET A 4 24.055 5.311 18.793 1.00 0.00 H new ATOM 55 N SER A 5 27.340 2.428 16.564 1.00 0.00 N ATOM 56 CA SER A 5 27.267 2.454 15.076 1.00 0.00 C ATOM 57 C SER A 5 27.084 1.029 14.550 1.00 0.00 C ATOM 58 O SER A 5 27.491 0.069 15.174 1.00 0.00 O ATOM 59 CB SER A 5 28.561 3.042 14.513 1.00 0.00 C ATOM 60 OG SER A 5 28.833 2.452 13.248 1.00 0.00 O ATOM 0 H SER A 5 28.207 2.788 16.963 1.00 0.00 H new ATOM 0 HA SER A 5 26.422 3.068 14.764 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.468 4.123 14.411 1.00 0.00 H new ATOM 0 HB3 SER A 5 29.387 2.856 15.199 1.00 0.00 H new ATOM 0 HG SER A 5 29.661 2.828 12.883 1.00 0.00 H new ATOM 66 N ASP A 6 26.474 0.883 13.406 1.00 0.00 N ATOM 67 CA ASP A 6 26.263 -0.480 12.842 1.00 0.00 C ATOM 68 C ASP A 6 26.912 -0.567 11.460 1.00 0.00 C ATOM 69 O ASP A 6 27.863 -1.294 11.255 1.00 0.00 O ATOM 70 CB ASP A 6 24.763 -0.753 12.719 1.00 0.00 C ATOM 71 CG ASP A 6 24.008 0.573 12.641 1.00 0.00 C ATOM 72 OD1 ASP A 6 24.056 1.199 11.595 1.00 0.00 O ATOM 73 OD2 ASP A 6 23.394 0.942 13.629 1.00 0.00 O ATOM 0 H ASP A 6 26.113 1.649 12.837 1.00 0.00 H new ATOM 0 HA ASP A 6 26.715 -1.220 13.502 1.00 0.00 H new ATOM 0 HB2 ASP A 6 24.563 -1.350 11.829 1.00 0.00 H new ATOM 0 HB3 ASP A 6 24.416 -1.331 13.576 1.00 0.00 H new ATOM 78 N GLY A 7 26.406 0.170 10.510 1.00 0.00 N ATOM 79 CA GLY A 7 26.994 0.127 9.141 1.00 0.00 C ATOM 80 C GLY A 7 26.373 1.229 8.281 1.00 0.00 C ATOM 81 O GLY A 7 27.037 1.847 7.474 1.00 0.00 O ATOM 0 H GLY A 7 25.611 0.800 10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.075 0.259 9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.814 -0.848 8.687 1.00 0.00 H new ATOM 85 N LEU A 8 25.101 1.479 8.445 1.00 0.00 N ATOM 86 CA LEU A 8 24.443 2.540 7.632 1.00 0.00 C ATOM 87 C LEU A 8 23.393 3.261 8.481 1.00 0.00 C ATOM 88 O LEU A 8 22.288 3.495 8.033 1.00 0.00 O ATOM 89 CB LEU A 8 23.765 1.902 6.418 1.00 0.00 C ATOM 90 CG LEU A 8 22.868 0.754 6.881 1.00 0.00 C ATOM 91 CD1 LEU A 8 21.653 0.647 5.958 1.00 0.00 C ATOM 92 CD2 LEU A 8 23.657 -0.557 6.840 1.00 0.00 C ATOM 0 H LEU A 8 24.492 0.995 9.105 1.00 0.00 H new ATOM 0 HA LEU A 8 25.192 3.257 7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 8 23.174 2.647 5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 8 24.517 1.532 5.721 1.00 0.00 H new ATOM 0 HG LEU A 8 22.532 0.946 7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 8 21.015 -0.172 6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 8 21.090 1.580 5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 8 21.987 0.457 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 8 23.018 -1.376 7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 8 23.994 -0.747 5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 8 24.521 -0.482 7.500 1.00 0.00 H new ATOM 104 N PRO A 9 23.777 3.593 9.684 1.00 0.00 N ATOM 105 CA PRO A 9 22.825 4.297 10.571 1.00 0.00 C ATOM 106 C PRO A 9 22.133 5.424 9.799 1.00 0.00 C ATOM 107 O PRO A 9 20.955 5.358 9.508 1.00 0.00 O ATOM 108 CB PRO A 9 23.670 4.872 11.713 1.00 0.00 C ATOM 109 CG PRO A 9 25.144 4.505 11.435 1.00 0.00 C ATOM 110 CD PRO A 9 25.181 3.687 10.137 1.00 0.00 C ATOM 0 HA PRO A 9 22.047 3.632 10.946 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.549 5.954 11.771 1.00 0.00 H new ATOM 0 HB3 PRO A 9 23.348 4.463 12.671 1.00 0.00 H new ATOM 0 HG2 PRO A 9 25.751 5.405 11.338 1.00 0.00 H new ATOM 0 HG3 PRO A 9 25.558 3.929 12.263 1.00 0.00 H new ATOM 0 HD2 PRO A 9 25.803 4.173 9.385 1.00 0.00 H new ATOM 0 HD3 PRO A 9 25.604 2.697 10.310 1.00 0.00 H new ATOM 118 N ASN A 10 22.860 6.453 9.460 1.00 0.00 N ATOM 119 CA ASN A 10 22.249 7.579 8.701 1.00 0.00 C ATOM 120 C ASN A 10 22.526 7.383 7.209 1.00 0.00 C ATOM 121 O ASN A 10 21.797 7.861 6.363 1.00 0.00 O ATOM 122 CB ASN A 10 22.864 8.903 9.164 1.00 0.00 C ATOM 123 CG ASN A 10 24.352 8.701 9.458 1.00 0.00 C ATOM 124 OD1 ASN A 10 24.752 7.659 9.940 1.00 0.00 O ATOM 125 ND2 ASN A 10 25.194 9.659 9.187 1.00 0.00 N ATOM 0 H ASN A 10 23.851 6.562 9.676 1.00 0.00 H new ATOM 0 HA ASN A 10 21.174 7.600 8.878 1.00 0.00 H new ATOM 0 HB2 ASN A 10 22.735 9.665 8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 10 22.352 9.261 10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 10 26.188 9.534 9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 10 24.859 10.533 8.783 1.00 0.00 H new ATOM 132 N LYS A 11 23.576 6.680 6.885 1.00 0.00 N ATOM 133 CA LYS A 11 23.904 6.446 5.450 1.00 0.00 C ATOM 134 C LYS A 11 22.663 5.921 4.727 1.00 0.00 C ATOM 135 O LYS A 11 22.286 4.775 4.873 1.00 0.00 O ATOM 136 CB LYS A 11 25.029 5.413 5.349 1.00 0.00 C ATOM 137 CG LYS A 11 25.876 5.696 4.106 1.00 0.00 C ATOM 138 CD LYS A 11 25.073 5.347 2.851 1.00 0.00 C ATOM 139 CE LYS A 11 26.031 5.050 1.697 1.00 0.00 C ATOM 140 NZ LYS A 11 26.600 6.329 1.184 1.00 0.00 N ATOM 0 H LYS A 11 24.221 6.257 7.552 1.00 0.00 H new ATOM 0 HA LYS A 11 24.226 7.380 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 11 25.652 5.451 6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 11 24.610 4.408 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 11 26.168 6.746 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 11 26.795 5.110 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 11 24.438 4.482 3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 11 24.414 6.174 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 11 26.832 4.392 2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 11 25.505 4.527 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.252 6.129 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 25.830 6.941 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 27.116 6.811 1.948 1.00 0.00 H new ATOM 154 N LYS A 12 22.021 6.749 3.950 1.00 0.00 N ATOM 155 CA LYS A 12 20.804 6.294 3.223 1.00 0.00 C ATOM 156 C LYS A 12 20.300 7.414 2.313 1.00 0.00 C ATOM 157 O LYS A 12 20.676 8.561 2.453 1.00 0.00 O ATOM 158 CB LYS A 12 19.713 5.932 4.232 1.00 0.00 C ATOM 159 CG LYS A 12 19.165 7.211 4.868 1.00 0.00 C ATOM 160 CD LYS A 12 17.798 7.539 4.262 1.00 0.00 C ATOM 161 CE LYS A 12 17.193 8.741 4.989 1.00 0.00 C ATOM 162 NZ LYS A 12 16.733 8.322 6.344 1.00 0.00 N ATOM 0 H LYS A 12 22.287 7.720 3.787 1.00 0.00 H new ATOM 0 HA LYS A 12 21.050 5.420 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.910 5.386 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.117 5.274 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.075 7.083 5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.856 8.037 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.903 7.758 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.135 6.678 4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.932 9.538 5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.356 9.142 4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.077 9.034 6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.248 7.405 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.553 8.234 6.977 1.00 0.00 H new ATOM 176 N ARG A 13 19.449 7.089 1.378 1.00 0.00 N ATOM 177 CA ARG A 13 18.915 8.130 0.457 1.00 0.00 C ATOM 178 C ARG A 13 17.466 7.793 0.101 1.00 0.00 C ATOM 179 O ARG A 13 17.163 7.430 -1.018 1.00 0.00 O ATOM 180 CB ARG A 13 19.761 8.161 -0.819 1.00 0.00 C ATOM 181 CG ARG A 13 19.868 6.747 -1.394 1.00 0.00 C ATOM 182 CD ARG A 13 21.197 6.596 -2.137 1.00 0.00 C ATOM 183 NE ARG A 13 21.304 7.652 -3.182 1.00 0.00 N ATOM 184 CZ ARG A 13 22.459 7.910 -3.733 1.00 0.00 C ATOM 185 NH1 ARG A 13 23.518 7.240 -3.373 1.00 0.00 N ATOM 186 NH2 ARG A 13 22.552 8.838 -4.644 1.00 0.00 N ATOM 0 H ARG A 13 19.100 6.145 1.213 1.00 0.00 H new ATOM 0 HA ARG A 13 18.954 9.105 0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.309 8.830 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 13 20.755 8.552 -0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 13 19.802 6.011 -0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.036 6.555 -2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 13 22.029 6.677 -1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 13 21.260 5.609 -2.595 1.00 0.00 H new ATOM 0 HE ARG A 13 20.475 8.173 -3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 13 23.444 6.514 -2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 13 24.420 7.442 -3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.723 9.361 -4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 13 23.454 9.041 -5.075 1.00 0.00 H new ATOM 200 N LYS A 14 16.571 7.907 1.046 1.00 0.00 N ATOM 201 CA LYS A 14 15.139 7.589 0.773 1.00 0.00 C ATOM 202 C LYS A 14 15.019 6.133 0.315 1.00 0.00 C ATOM 203 O LYS A 14 14.386 5.320 0.957 1.00 0.00 O ATOM 204 CB LYS A 14 14.598 8.518 -0.320 1.00 0.00 C ATOM 205 CG LYS A 14 14.527 9.950 0.215 1.00 0.00 C ATOM 206 CD LYS A 14 13.370 10.690 -0.460 1.00 0.00 C ATOM 207 CE LYS A 14 13.353 12.148 0.006 1.00 0.00 C ATOM 208 NZ LYS A 14 13.517 13.047 -1.171 1.00 0.00 N ATOM 0 H LYS A 14 16.771 8.208 2.000 1.00 0.00 H new ATOM 0 HA LYS A 14 14.558 7.734 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 14 15.243 8.478 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.609 8.187 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.385 9.939 1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.466 10.469 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.479 10.645 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.424 10.208 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.415 12.367 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.155 12.321 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.506 14.038 -0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.423 12.843 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.737 12.888 -1.841 1.00 0.00 H new ATOM 222 N ARG A 15 15.624 5.798 -0.793 1.00 0.00 N ATOM 223 CA ARG A 15 15.546 4.395 -1.292 1.00 0.00 C ATOM 224 C ARG A 15 14.115 3.875 -1.138 1.00 0.00 C ATOM 225 O ARG A 15 13.896 2.744 -0.752 1.00 0.00 O ATOM 226 CB ARG A 15 16.500 3.510 -0.488 1.00 0.00 C ATOM 227 CG ARG A 15 16.931 2.316 -1.346 1.00 0.00 C ATOM 228 CD ARG A 15 17.057 1.065 -0.473 1.00 0.00 C ATOM 229 NE ARG A 15 17.383 1.456 0.935 1.00 0.00 N ATOM 230 CZ ARG A 15 18.333 2.315 1.193 1.00 0.00 C ATOM 231 NH1 ARG A 15 19.117 2.737 0.241 1.00 0.00 N ATOM 232 NH2 ARG A 15 18.527 2.716 2.420 1.00 0.00 N ATOM 0 H ARG A 15 16.169 6.435 -1.374 1.00 0.00 H new ATOM 0 HA ARG A 15 15.830 4.370 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 15 17.373 4.084 -0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.011 3.161 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 15 16.203 2.145 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 15 17.884 2.530 -1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 15 16.125 0.500 -0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.836 0.412 -0.868 1.00 0.00 H new ATOM 0 HE ARG A 15 16.855 1.045 1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 15 18.991 2.397 -0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 15 19.857 3.408 0.449 1.00 0.00 H new ATOM 0 HH21 ARG A 15 17.938 2.359 3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 15 19.267 3.386 2.626 1.00 0.00 H new ATOM 246 N ARG A 16 13.140 4.688 -1.440 1.00 0.00 N ATOM 247 CA ARG A 16 11.730 4.232 -1.313 1.00 0.00 C ATOM 248 C ARG A 16 11.580 2.861 -1.980 1.00 0.00 C ATOM 249 O ARG A 16 12.538 2.288 -2.460 1.00 0.00 O ATOM 250 CB ARG A 16 10.808 5.254 -1.990 1.00 0.00 C ATOM 251 CG ARG A 16 10.455 4.788 -3.408 1.00 0.00 C ATOM 252 CD ARG A 16 9.925 5.969 -4.226 1.00 0.00 C ATOM 253 NE ARG A 16 10.738 6.137 -5.473 1.00 0.00 N ATOM 254 CZ ARG A 16 12.046 6.124 -5.437 1.00 0.00 C ATOM 255 NH1 ARG A 16 12.677 6.064 -4.297 1.00 0.00 N ATOM 256 NH2 ARG A 16 12.724 6.199 -6.548 1.00 0.00 N ATOM 0 H ARG A 16 13.260 5.646 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 16 11.458 4.147 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.898 5.379 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.298 6.227 -2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.336 4.365 -3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.705 3.998 -3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.879 5.803 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.965 6.881 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 16 10.263 6.264 -6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.151 6.027 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.697 6.054 -4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.235 6.267 -7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.744 6.189 -6.525 1.00 0.00 H new ATOM 270 N VAL A 17 10.388 2.334 -2.016 1.00 0.00 N ATOM 271 CA VAL A 17 10.182 1.003 -2.655 1.00 0.00 C ATOM 272 C VAL A 17 8.705 0.830 -3.008 1.00 0.00 C ATOM 273 O VAL A 17 7.830 1.226 -2.265 1.00 0.00 O ATOM 274 CB VAL A 17 10.601 -0.101 -1.684 1.00 0.00 C ATOM 275 CG1 VAL A 17 10.240 -1.465 -2.274 1.00 0.00 C ATOM 276 CG2 VAL A 17 12.112 -0.030 -1.451 1.00 0.00 C ATOM 0 H VAL A 17 9.548 2.766 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 17 10.785 0.940 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 17 10.080 0.034 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.539 -2.252 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.164 -1.517 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.760 -1.600 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 17 12.411 -0.817 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.633 -0.164 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.370 0.941 -1.029 1.00 0.00 H new ATOM 286 N LEU A 18 8.421 0.246 -4.139 1.00 0.00 N ATOM 287 CA LEU A 18 7.002 0.053 -4.538 1.00 0.00 C ATOM 288 C LEU A 18 6.424 -1.144 -3.786 1.00 0.00 C ATOM 289 O LEU A 18 6.592 -1.281 -2.591 1.00 0.00 O ATOM 290 CB LEU A 18 6.921 -0.230 -6.038 1.00 0.00 C ATOM 291 CG LEU A 18 7.325 1.001 -6.848 1.00 0.00 C ATOM 292 CD1 LEU A 18 6.106 1.899 -7.056 1.00 0.00 C ATOM 293 CD2 LEU A 18 8.422 1.794 -6.129 1.00 0.00 C ATOM 0 H LEU A 18 9.111 -0.105 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 18 6.439 0.956 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.573 -1.066 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.906 -0.527 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 18 7.711 0.667 -7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.395 2.777 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.336 1.348 -7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.717 2.214 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.692 2.665 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.056 2.120 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.299 1.161 -5.994 1.00 0.00 H new ATOM 305 N PHE A 19 5.753 -2.015 -4.489 1.00 0.00 N ATOM 306 CA PHE A 19 5.157 -3.216 -3.835 1.00 0.00 C ATOM 307 C PHE A 19 4.704 -4.208 -4.908 1.00 0.00 C ATOM 308 O PHE A 19 4.495 -3.847 -6.048 1.00 0.00 O ATOM 309 CB PHE A 19 3.939 -2.800 -3.006 1.00 0.00 C ATOM 310 CG PHE A 19 4.377 -1.944 -1.845 1.00 0.00 C ATOM 311 CD1 PHE A 19 5.255 -2.461 -0.885 1.00 0.00 C ATOM 312 CD2 PHE A 19 3.905 -0.632 -1.728 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.662 -1.665 0.192 1.00 0.00 C ATOM 314 CE2 PHE A 19 4.311 0.165 -0.652 1.00 0.00 C ATOM 315 CZ PHE A 19 5.190 -0.352 0.308 1.00 0.00 C ATOM 0 H PHE A 19 5.591 -1.946 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 19 5.904 -3.678 -3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.235 -2.250 -3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.418 -3.685 -2.641 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.618 -3.474 -0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.227 -0.234 -2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.339 -2.063 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.947 1.178 -0.562 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.504 0.263 1.139 1.00 0.00 H new ATOM 325 N THR A 20 4.529 -5.451 -4.549 1.00 0.00 N ATOM 326 CA THR A 20 4.066 -6.447 -5.553 1.00 0.00 C ATOM 327 C THR A 20 2.686 -5.991 -6.076 1.00 0.00 C ATOM 328 O THR A 20 1.783 -5.808 -5.284 1.00 0.00 O ATOM 329 CB THR A 20 3.916 -7.812 -4.875 1.00 0.00 C ATOM 330 OG1 THR A 20 2.888 -7.745 -3.898 1.00 0.00 O ATOM 331 CG2 THR A 20 5.236 -8.199 -4.208 1.00 0.00 C ATOM 0 H THR A 20 4.686 -5.817 -3.610 1.00 0.00 H new ATOM 0 HA THR A 20 4.781 -6.524 -6.372 1.00 0.00 H new ATOM 0 HB THR A 20 3.656 -8.562 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.791 -8.619 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.129 -9.171 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.022 -8.253 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.500 -7.450 -3.461 1.00 0.00 H new ATOM 339 N LYS A 21 2.478 -5.797 -7.372 1.00 0.00 N ATOM 340 CA LYS A 21 1.125 -5.366 -7.814 1.00 0.00 C ATOM 341 C LYS A 21 0.108 -6.166 -7.012 1.00 0.00 C ATOM 342 O LYS A 21 -1.036 -5.792 -6.879 1.00 0.00 O ATOM 343 CB LYS A 21 0.950 -5.649 -9.309 1.00 0.00 C ATOM 344 CG LYS A 21 0.787 -4.328 -10.065 1.00 0.00 C ATOM 345 CD LYS A 21 0.902 -4.587 -11.569 1.00 0.00 C ATOM 346 CE LYS A 21 0.835 -3.258 -12.325 1.00 0.00 C ATOM 347 NZ LYS A 21 0.835 -3.521 -13.791 1.00 0.00 N ATOM 0 H LYS A 21 3.172 -5.918 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 21 0.989 -4.297 -7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.814 -6.194 -9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.077 -6.282 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.180 -3.881 -9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.550 -3.618 -9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.840 -5.096 -11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.097 -5.245 -11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.065 -2.712 -12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.686 -2.631 -12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.789 -2.618 -14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.706 -4.026 -14.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.010 -4.103 -14.039 1.00 0.00 H new ATOM 361 N ALA A 22 0.553 -7.260 -6.454 1.00 0.00 N ATOM 362 CA ALA A 22 -0.331 -8.111 -5.618 1.00 0.00 C ATOM 363 C ALA A 22 -0.680 -7.337 -4.345 1.00 0.00 C ATOM 364 O ALA A 22 -1.784 -6.866 -4.173 1.00 0.00 O ATOM 365 CB ALA A 22 0.436 -9.383 -5.256 1.00 0.00 C ATOM 0 H ALA A 22 1.509 -7.602 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.246 -8.371 -6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.194 -10.025 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.713 -9.912 -6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.336 -9.119 -4.701 1.00 0.00 H new ATOM 371 N GLN A 23 0.266 -7.169 -3.464 1.00 0.00 N ATOM 372 CA GLN A 23 -0.011 -6.381 -2.233 1.00 0.00 C ATOM 373 C GLN A 23 -0.876 -5.201 -2.630 1.00 0.00 C ATOM 374 O GLN A 23 -2.088 -5.230 -2.547 1.00 0.00 O ATOM 375 CB GLN A 23 1.306 -5.836 -1.687 1.00 0.00 C ATOM 376 CG GLN A 23 2.219 -6.995 -1.279 1.00 0.00 C ATOM 377 CD GLN A 23 3.681 -6.586 -1.463 1.00 0.00 C ATOM 378 OE1 GLN A 23 4.011 -5.418 -1.395 1.00 0.00 O ATOM 379 NE2 GLN A 23 4.579 -7.505 -1.692 1.00 0.00 N ATOM 0 H GLN A 23 1.213 -7.541 -3.543 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.501 -7.002 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.797 -5.223 -2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.115 -5.192 -0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.035 -7.267 -0.240 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.998 -7.875 -1.883 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.303 -8.485 -1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.557 -7.243 -1.814 1.00 0.00 H new ATOM 388 N THR A 24 -0.235 -4.170 -3.082 1.00 0.00 N ATOM 389 CA THR A 24 -0.946 -2.955 -3.517 1.00 0.00 C ATOM 390 C THR A 24 -2.294 -3.315 -4.148 1.00 0.00 C ATOM 391 O THR A 24 -3.243 -2.565 -4.039 1.00 0.00 O ATOM 392 CB THR A 24 -0.070 -2.248 -4.533 1.00 0.00 C ATOM 393 OG1 THR A 24 1.110 -1.782 -3.891 1.00 0.00 O ATOM 394 CG2 THR A 24 -0.826 -1.067 -5.130 1.00 0.00 C ATOM 0 H THR A 24 0.780 -4.121 -3.169 1.00 0.00 H new ATOM 0 HA THR A 24 -1.142 -2.309 -2.661 1.00 0.00 H new ATOM 0 HB THR A 24 0.196 -2.943 -5.330 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.968 -1.761 -2.922 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.193 -0.561 -5.860 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.731 -1.425 -5.621 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.095 -0.369 -4.337 1.00 0.00 H new ATOM 402 N TYR A 25 -2.418 -4.454 -4.789 1.00 0.00 N ATOM 403 CA TYR A 25 -3.736 -4.795 -5.370 1.00 0.00 C ATOM 404 C TYR A 25 -4.645 -5.142 -4.198 1.00 0.00 C ATOM 405 O TYR A 25 -5.615 -4.464 -3.922 1.00 0.00 O ATOM 406 CB TYR A 25 -3.617 -5.990 -6.324 1.00 0.00 C ATOM 407 CG TYR A 25 -4.824 -6.763 -6.286 1.00 0.00 C ATOM 408 CD1 TYR A 25 -5.836 -6.473 -7.160 1.00 0.00 C ATOM 409 CD2 TYR A 25 -4.905 -7.788 -5.393 1.00 0.00 C ATOM 410 CE1 TYR A 25 -6.972 -7.227 -7.142 1.00 0.00 C ATOM 411 CE2 TYR A 25 -6.034 -8.559 -5.357 1.00 0.00 C ATOM 412 CZ TYR A 25 -7.093 -8.290 -6.236 1.00 0.00 C ATOM 413 OH TYR A 25 -8.237 -9.061 -6.208 1.00 0.00 O ATOM 0 H TYR A 25 -1.677 -5.141 -4.928 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.134 -3.962 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.430 -5.640 -7.339 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.767 -6.611 -6.040 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.736 -5.655 -7.858 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.085 -7.990 -4.719 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.778 -7.005 -7.825 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.110 -9.374 -4.652 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.148 -9.753 -5.520 1.00 0.00 H new ATOM 423 N GLU A 26 -4.303 -6.172 -3.471 1.00 0.00 N ATOM 424 CA GLU A 26 -5.109 -6.531 -2.281 1.00 0.00 C ATOM 425 C GLU A 26 -5.165 -5.282 -1.418 1.00 0.00 C ATOM 426 O GLU A 26 -6.214 -4.749 -1.120 1.00 0.00 O ATOM 427 CB GLU A 26 -4.401 -7.634 -1.499 1.00 0.00 C ATOM 428 CG GLU A 26 -4.956 -9.003 -1.894 1.00 0.00 C ATOM 429 CD GLU A 26 -6.458 -9.051 -1.613 1.00 0.00 C ATOM 430 OE1 GLU A 26 -6.872 -8.485 -0.615 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.170 -9.650 -2.402 1.00 0.00 O ATOM 0 H GLU A 26 -3.501 -6.776 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.102 -6.880 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.329 -7.598 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.535 -7.474 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.768 -9.191 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.446 -9.788 -1.335 1.00 0.00 H new ATOM 438 N LEU A 27 -4.011 -4.794 -1.060 1.00 0.00 N ATOM 439 CA LEU A 27 -3.929 -3.555 -0.264 1.00 0.00 C ATOM 440 C LEU A 27 -5.034 -2.617 -0.746 1.00 0.00 C ATOM 441 O LEU A 27 -5.773 -2.044 0.030 1.00 0.00 O ATOM 442 CB LEU A 27 -2.571 -2.927 -0.555 1.00 0.00 C ATOM 443 CG LEU A 27 -1.834 -2.574 0.727 1.00 0.00 C ATOM 444 CD1 LEU A 27 -0.610 -1.752 0.348 1.00 0.00 C ATOM 445 CD2 LEU A 27 -2.735 -1.760 1.655 1.00 0.00 C ATOM 0 H LEU A 27 -3.111 -5.214 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.043 -3.745 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.968 -3.618 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.706 -2.029 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.541 -3.483 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.059 -1.483 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.033 -2.338 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.926 -0.846 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.192 -1.516 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.036 -0.840 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.621 -2.343 1.905 1.00 0.00 H new ATOM 457 N GLU A 28 -5.144 -2.473 -2.040 1.00 0.00 N ATOM 458 CA GLU A 28 -6.189 -1.592 -2.622 1.00 0.00 C ATOM 459 C GLU A 28 -7.559 -2.229 -2.401 1.00 0.00 C ATOM 460 O GLU A 28 -8.456 -1.624 -1.848 1.00 0.00 O ATOM 461 CB GLU A 28 -5.935 -1.440 -4.124 1.00 0.00 C ATOM 462 CG GLU A 28 -5.131 -0.166 -4.382 1.00 0.00 C ATOM 463 CD GLU A 28 -6.066 1.045 -4.358 1.00 0.00 C ATOM 464 OE1 GLU A 28 -7.085 0.995 -5.026 1.00 0.00 O ATOM 465 OE2 GLU A 28 -5.746 2.002 -3.672 1.00 0.00 O ATOM 0 H GLU A 28 -4.545 -2.936 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.159 -0.613 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.392 -2.307 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.883 -1.399 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.355 -0.054 -3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.628 -0.231 -5.347 1.00 0.00 H new ATOM 472 N ARG A 29 -7.726 -3.452 -2.823 1.00 0.00 N ATOM 473 CA ARG A 29 -9.037 -4.129 -2.631 1.00 0.00 C ATOM 474 C ARG A 29 -9.613 -3.719 -1.277 1.00 0.00 C ATOM 475 O ARG A 29 -10.765 -3.346 -1.171 1.00 0.00 O ATOM 476 CB ARG A 29 -8.839 -5.648 -2.673 1.00 0.00 C ATOM 477 CG ARG A 29 -8.660 -6.108 -4.123 1.00 0.00 C ATOM 478 CD ARG A 29 -9.615 -7.268 -4.411 1.00 0.00 C ATOM 479 NE ARG A 29 -10.993 -6.891 -3.985 1.00 0.00 N ATOM 480 CZ ARG A 29 -12.015 -7.599 -4.380 1.00 0.00 C ATOM 481 NH1 ARG A 29 -11.830 -8.640 -5.144 1.00 0.00 N ATOM 482 NH2 ARG A 29 -13.221 -7.268 -4.008 1.00 0.00 N ATOM 0 H ARG A 29 -7.012 -4.010 -3.291 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.725 -3.838 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.966 -5.927 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.698 -6.148 -2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.859 -5.281 -4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.630 -6.421 -4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.604 -7.508 -5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.290 -8.162 -3.879 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.137 -6.079 -3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.887 -8.900 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.629 -9.194 -5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.365 -6.456 -3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.020 -7.822 -4.317 1.00 0.00 H new ATOM 496 N ARG A 30 -8.821 -3.767 -0.238 1.00 0.00 N ATOM 497 CA ARG A 30 -9.337 -3.362 1.099 1.00 0.00 C ATOM 498 C ARG A 30 -9.820 -1.916 1.002 1.00 0.00 C ATOM 499 O ARG A 30 -10.826 -1.542 1.571 1.00 0.00 O ATOM 500 CB ARG A 30 -8.205 -3.452 2.146 1.00 0.00 C ATOM 501 CG ARG A 30 -8.630 -4.166 3.458 1.00 0.00 C ATOM 502 CD ARG A 30 -10.118 -3.951 3.794 1.00 0.00 C ATOM 503 NE ARG A 30 -10.901 -5.231 3.675 1.00 0.00 N ATOM 504 CZ ARG A 30 -10.656 -6.136 2.744 1.00 0.00 C ATOM 505 NH1 ARG A 30 -9.699 -5.986 1.871 1.00 0.00 N ATOM 506 NH2 ARG A 30 -11.391 -7.214 2.700 1.00 0.00 N ATOM 0 H ARG A 30 -7.846 -4.067 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.152 -4.020 1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.359 -3.984 1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.861 -2.446 2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.433 -5.234 3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.018 -3.798 4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.210 -3.560 4.807 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.539 -3.202 3.123 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.653 -5.407 4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.114 -5.151 1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.536 -6.704 1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.141 -7.348 3.378 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.215 -7.922 1.988 1.00 0.00 H new ATOM 520 N PHE A 31 -9.108 -1.102 0.271 1.00 0.00 N ATOM 521 CA PHE A 31 -9.518 0.319 0.116 1.00 0.00 C ATOM 522 C PHE A 31 -10.999 0.369 -0.259 1.00 0.00 C ATOM 523 O PHE A 31 -11.687 1.336 -0.001 1.00 0.00 O ATOM 524 CB PHE A 31 -8.683 0.966 -0.990 1.00 0.00 C ATOM 525 CG PHE A 31 -8.941 2.453 -1.017 1.00 0.00 C ATOM 526 CD1 PHE A 31 -10.159 2.942 -1.502 1.00 0.00 C ATOM 527 CD2 PHE A 31 -7.962 3.341 -0.558 1.00 0.00 C ATOM 528 CE1 PHE A 31 -10.399 4.320 -1.527 1.00 0.00 C ATOM 529 CE2 PHE A 31 -8.202 4.720 -0.582 1.00 0.00 C ATOM 530 CZ PHE A 31 -9.420 5.209 -1.067 1.00 0.00 C ATOM 0 H PHE A 31 -8.257 -1.363 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 31 -9.359 0.859 1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.624 0.774 -0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.935 0.526 -1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.914 2.256 -1.857 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.022 2.963 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.339 4.698 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.447 5.406 -0.226 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.605 6.273 -1.087 1.00 0.00 H new ATOM 540 N ARG A 32 -11.493 -0.676 -0.865 1.00 0.00 N ATOM 541 CA ARG A 32 -12.929 -0.706 -1.257 1.00 0.00 C ATOM 542 C ARG A 32 -13.787 -0.968 -0.017 1.00 0.00 C ATOM 543 O ARG A 32 -14.337 -0.059 0.572 1.00 0.00 O ATOM 544 CB ARG A 32 -13.149 -1.824 -2.277 1.00 0.00 C ATOM 545 CG ARG A 32 -12.268 -1.573 -3.502 1.00 0.00 C ATOM 546 CD ARG A 32 -12.902 -2.232 -4.728 1.00 0.00 C ATOM 547 NE ARG A 32 -11.832 -2.773 -5.613 1.00 0.00 N ATOM 548 CZ ARG A 32 -12.129 -3.640 -6.541 1.00 0.00 C ATOM 549 NH1 ARG A 32 -13.362 -4.042 -6.690 1.00 0.00 N ATOM 550 NH2 ARG A 32 -11.192 -4.110 -7.320 1.00 0.00 N ATOM 0 H ARG A 32 -10.961 -1.513 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.211 0.250 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.907 -2.790 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.198 -1.862 -2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.155 -0.502 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.269 -1.976 -3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.571 -3.034 -4.417 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.506 -1.506 -5.272 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.867 -2.465 -5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.094 -3.678 -6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.593 -4.720 -7.416 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.228 -3.799 -7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.425 -4.788 -8.046 1.00 0.00 H new ATOM 564 N GLN A 33 -13.902 -2.205 0.387 1.00 0.00 N ATOM 565 CA GLN A 33 -14.720 -2.523 1.590 1.00 0.00 C ATOM 566 C GLN A 33 -14.363 -1.555 2.718 1.00 0.00 C ATOM 567 O GLN A 33 -15.217 -1.104 3.457 1.00 0.00 O ATOM 568 CB GLN A 33 -14.433 -3.958 2.038 1.00 0.00 C ATOM 569 CG GLN A 33 -15.652 -4.837 1.755 1.00 0.00 C ATOM 570 CD GLN A 33 -15.212 -6.297 1.631 1.00 0.00 C ATOM 571 OE1 GLN A 33 -14.191 -6.720 2.324 1.00 0.00 O flip ATOM 572 NE2 GLN A 33 -15.804 -7.062 0.896 1.00 0.00 N flip ATOM 0 H GLN A 33 -13.464 -3.008 -0.065 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.778 -2.424 1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.562 -4.347 1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -14.197 -3.977 3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.382 -4.733 2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.141 -4.514 0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -16.603 -6.733 0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -15.503 -8.034 0.821 1.00 0.00 H new ATOM 581 N GLN A 34 -13.109 -1.221 2.852 1.00 0.00 N ATOM 582 CA GLN A 34 -12.700 -0.277 3.924 1.00 0.00 C ATOM 583 C GLN A 34 -11.865 0.842 3.314 1.00 0.00 C ATOM 584 O GLN A 34 -10.799 0.618 2.777 1.00 0.00 O ATOM 585 CB GLN A 34 -11.857 -1.001 4.973 1.00 0.00 C ATOM 586 CG GLN A 34 -11.761 -0.143 6.232 1.00 0.00 C ATOM 587 CD GLN A 34 -13.086 -0.202 6.995 1.00 0.00 C ATOM 588 OE1 GLN A 34 -14.136 -0.715 6.417 1.00 0.00 O flip ATOM 589 NE2 GLN A 34 -13.165 0.223 8.131 1.00 0.00 N flip ATOM 0 H GLN A 34 -12.350 -1.563 2.263 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.594 0.129 4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.304 -1.966 5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.860 -1.200 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.949 -0.499 6.866 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.529 0.888 5.965 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.344 0.624 8.584 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.053 0.178 8.632 1.00 0.00 H new ATOM 598 N ARG A 35 -12.331 2.046 3.418 1.00 0.00 N ATOM 599 CA ARG A 35 -11.563 3.194 2.878 1.00 0.00 C ATOM 600 C ARG A 35 -10.918 3.905 4.054 1.00 0.00 C ATOM 601 O ARG A 35 -10.255 4.913 3.912 1.00 0.00 O ATOM 602 CB ARG A 35 -12.498 4.156 2.151 1.00 0.00 C ATOM 603 CG ARG A 35 -13.950 3.778 2.433 1.00 0.00 C ATOM 604 CD ARG A 35 -14.868 4.693 1.626 1.00 0.00 C ATOM 605 NE ARG A 35 -16.248 4.642 2.186 1.00 0.00 N ATOM 606 CZ ARG A 35 -17.116 5.561 1.863 1.00 0.00 C ATOM 607 NH1 ARG A 35 -16.776 6.530 1.058 1.00 0.00 N ATOM 608 NH2 ARG A 35 -18.328 5.511 2.348 1.00 0.00 N ATOM 0 H ARG A 35 -13.219 2.288 3.858 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.809 2.847 2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.309 5.178 2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.306 4.124 1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.127 2.736 2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.164 3.874 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.492 5.716 1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.878 4.384 0.581 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.514 3.889 2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.830 6.570 0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.457 7.247 0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.594 4.754 2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.008 6.229 2.097 1.00 0.00 H new ATOM 622 N TYR A 36 -11.122 3.375 5.225 1.00 0.00 N ATOM 623 CA TYR A 36 -10.536 4.005 6.438 1.00 0.00 C ATOM 624 C TYR A 36 -9.833 2.940 7.282 1.00 0.00 C ATOM 625 O TYR A 36 -9.932 2.934 8.493 1.00 0.00 O ATOM 626 CB TYR A 36 -11.652 4.661 7.259 1.00 0.00 C ATOM 627 CG TYR A 36 -12.987 4.235 6.723 1.00 0.00 C ATOM 628 CD1 TYR A 36 -13.379 2.922 6.886 1.00 0.00 C ATOM 629 CD2 TYR A 36 -13.825 5.148 6.072 1.00 0.00 C ATOM 630 CE1 TYR A 36 -14.618 2.487 6.402 1.00 0.00 C ATOM 631 CE2 TYR A 36 -15.068 4.725 5.585 1.00 0.00 C ATOM 632 CZ TYR A 36 -15.465 3.391 5.749 1.00 0.00 C ATOM 633 OH TYR A 36 -16.688 2.970 5.269 1.00 0.00 O ATOM 0 H TYR A 36 -11.670 2.532 5.395 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.811 4.762 6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -11.562 4.376 8.307 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.560 5.746 7.215 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -12.725 2.226 7.390 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.514 6.175 5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -14.920 1.458 6.532 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.720 5.426 5.084 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.150 3.723 4.845 1.00 0.00 H new ATOM 643 N LEU A 37 -9.122 2.038 6.654 1.00 0.00 N ATOM 644 CA LEU A 37 -8.412 0.981 7.430 1.00 0.00 C ATOM 645 C LEU A 37 -7.947 1.584 8.765 1.00 0.00 C ATOM 646 O LEU A 37 -7.421 2.677 8.806 1.00 0.00 O ATOM 647 CB LEU A 37 -7.217 0.463 6.611 1.00 0.00 C ATOM 648 CG LEU A 37 -7.423 -1.025 6.283 1.00 0.00 C ATOM 649 CD1 LEU A 37 -8.604 -1.175 5.345 1.00 0.00 C ATOM 650 CD2 LEU A 37 -6.170 -1.603 5.599 1.00 0.00 C ATOM 0 H LEU A 37 -9.004 1.989 5.642 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.075 0.140 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.117 1.038 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.293 0.597 7.173 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.607 -1.565 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.751 -2.229 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.501 -0.780 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.410 -0.623 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.332 -2.657 5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.977 -1.060 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.313 -1.502 6.265 1.00 0.00 H new ATOM 662 N SER A 38 -8.175 0.901 9.861 1.00 0.00 N ATOM 663 CA SER A 38 -7.780 1.456 11.184 1.00 0.00 C ATOM 664 C SER A 38 -6.802 0.515 11.876 1.00 0.00 C ATOM 665 O SER A 38 -5.919 -0.051 11.273 1.00 0.00 O ATOM 666 CB SER A 38 -9.027 1.617 12.053 1.00 0.00 C ATOM 667 OG SER A 38 -9.649 0.351 12.221 1.00 0.00 O ATOM 0 H SER A 38 -8.618 -0.017 9.892 1.00 0.00 H new ATOM 0 HA SER A 38 -7.300 2.424 11.038 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.757 2.034 13.023 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.721 2.317 11.587 1.00 0.00 H new ATOM 0 HG SER A 38 -10.448 0.451 12.779 1.00 0.00 H new ATOM 673 N ALA A 39 -6.962 0.346 13.146 1.00 0.00 N ATOM 674 CA ALA A 39 -6.053 -0.558 13.899 1.00 0.00 C ATOM 675 C ALA A 39 -6.601 -1.985 13.832 1.00 0.00 C ATOM 676 O ALA A 39 -5.850 -2.940 13.814 1.00 0.00 O ATOM 677 CB ALA A 39 -5.968 -0.093 15.353 1.00 0.00 C ATOM 0 H ALA A 39 -7.687 0.796 13.705 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.055 -0.536 13.461 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.302 -0.754 15.908 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.580 0.925 15.387 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.961 -0.118 15.802 1.00 0.00 H new ATOM 683 N PRO A 40 -7.904 -2.081 13.783 1.00 0.00 N ATOM 684 CA PRO A 40 -8.521 -3.413 13.702 1.00 0.00 C ATOM 685 C PRO A 40 -8.767 -3.830 12.255 1.00 0.00 C ATOM 686 O PRO A 40 -8.813 -5.001 11.932 1.00 0.00 O ATOM 687 CB PRO A 40 -9.819 -3.346 14.454 1.00 0.00 C ATOM 688 CG PRO A 40 -9.940 -1.923 14.914 1.00 0.00 C ATOM 689 CD PRO A 40 -8.608 -1.228 14.732 1.00 0.00 C ATOM 0 HA PRO A 40 -7.854 -4.159 14.134 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.658 -3.625 13.816 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.819 -4.034 15.300 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.714 -1.408 14.344 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.241 -1.891 15.961 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.733 -0.216 14.346 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.067 -1.145 15.675 1.00 0.00 H new ATOM 697 N GLU A 41 -8.935 -2.877 11.382 1.00 0.00 N ATOM 698 CA GLU A 41 -9.187 -3.201 9.961 1.00 0.00 C ATOM 699 C GLU A 41 -7.860 -3.392 9.256 1.00 0.00 C ATOM 700 O GLU A 41 -7.656 -4.350 8.535 1.00 0.00 O ATOM 701 CB GLU A 41 -9.927 -2.039 9.318 1.00 0.00 C ATOM 702 CG GLU A 41 -11.364 -2.443 9.065 1.00 0.00 C ATOM 703 CD GLU A 41 -12.110 -2.564 10.394 1.00 0.00 C ATOM 704 OE1 GLU A 41 -12.060 -1.622 11.166 1.00 0.00 O ATOM 705 OE2 GLU A 41 -12.717 -3.598 10.617 1.00 0.00 O ATOM 0 H GLU A 41 -8.907 -1.881 11.599 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.781 -4.111 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.892 -1.165 9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.445 -1.759 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.852 -1.704 8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.396 -3.393 8.532 1.00 0.00 H new ATOM 712 N ARG A 42 -6.947 -2.499 9.475 1.00 0.00 N ATOM 713 CA ARG A 42 -5.629 -2.650 8.834 1.00 0.00 C ATOM 714 C ARG A 42 -5.215 -4.097 9.020 1.00 0.00 C ATOM 715 O ARG A 42 -5.002 -4.826 8.073 1.00 0.00 O ATOM 716 CB ARG A 42 -4.619 -1.746 9.502 1.00 0.00 C ATOM 717 CG ARG A 42 -4.708 -0.297 8.998 1.00 0.00 C ATOM 718 CD ARG A 42 -3.676 0.549 9.751 1.00 0.00 C ATOM 719 NE ARG A 42 -4.322 1.780 10.298 1.00 0.00 N ATOM 720 CZ ARG A 42 -5.104 2.505 9.551 1.00 0.00 C ATOM 721 NH1 ARG A 42 -5.282 2.191 8.299 1.00 0.00 N ATOM 722 NH2 ARG A 42 -5.684 3.562 10.048 1.00 0.00 N ATOM 0 H ARG A 42 -7.058 -1.676 10.067 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.678 -2.382 7.779 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.777 -1.763 10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.615 -2.130 9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.519 -0.258 7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.711 0.098 9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.239 -0.033 10.563 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.861 0.824 9.081 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.149 2.055 11.265 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.809 1.378 7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.894 2.758 7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.525 3.821 11.022 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.297 4.130 9.463 1.00 0.00 H new ATOM 736 N GLU A 43 -5.148 -4.531 10.244 1.00 0.00 N ATOM 737 CA GLU A 43 -4.802 -5.945 10.512 1.00 0.00 C ATOM 738 C GLU A 43 -5.475 -6.803 9.436 1.00 0.00 C ATOM 739 O GLU A 43 -4.847 -7.599 8.770 1.00 0.00 O ATOM 740 CB GLU A 43 -5.360 -6.315 11.876 1.00 0.00 C ATOM 741 CG GLU A 43 -4.258 -6.200 12.922 1.00 0.00 C ATOM 742 CD GLU A 43 -3.108 -7.148 12.577 1.00 0.00 C ATOM 743 OE1 GLU A 43 -3.352 -8.111 11.868 1.00 0.00 O ATOM 744 OE2 GLU A 43 -2.003 -6.898 13.029 1.00 0.00 O ATOM 0 H GLU A 43 -5.319 -3.962 11.073 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.724 -6.102 10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.190 -5.657 12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.754 -7.331 11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.893 -5.174 12.967 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.655 -6.440 13.908 1.00 0.00 H new ATOM 751 N HIS A 44 -6.760 -6.625 9.246 1.00 0.00 N ATOM 752 CA HIS A 44 -7.465 -7.411 8.196 1.00 0.00 C ATOM 753 C HIS A 44 -6.537 -7.505 6.991 1.00 0.00 C ATOM 754 O HIS A 44 -6.215 -8.577 6.517 1.00 0.00 O ATOM 755 CB HIS A 44 -8.762 -6.697 7.801 1.00 0.00 C ATOM 756 CG HIS A 44 -9.676 -7.663 7.098 1.00 0.00 C ATOM 757 ND1 HIS A 44 -9.783 -7.707 5.716 1.00 0.00 N ATOM 758 CD2 HIS A 44 -10.533 -8.625 7.571 1.00 0.00 C ATOM 759 CE1 HIS A 44 -10.674 -8.667 5.410 1.00 0.00 C ATOM 760 NE2 HIS A 44 -11.164 -9.257 6.503 1.00 0.00 N ATOM 0 H HIS A 44 -7.344 -5.974 9.770 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.717 -8.406 8.563 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.253 -6.296 8.688 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.540 -5.852 7.150 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.694 -8.857 8.614 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.959 -8.929 4.402 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.852 -10.009 6.546 1.00 0.00 H new ATOM 768 N LEU A 45 -6.068 -6.383 6.520 1.00 0.00 N ATOM 769 CA LEU A 45 -5.120 -6.397 5.378 1.00 0.00 C ATOM 770 C LEU A 45 -3.938 -7.255 5.780 1.00 0.00 C ATOM 771 O LEU A 45 -3.662 -8.290 5.213 1.00 0.00 O ATOM 772 CB LEU A 45 -4.624 -4.962 5.115 1.00 0.00 C ATOM 773 CG LEU A 45 -3.506 -4.942 4.137 1.00 0.00 C ATOM 774 CD1 LEU A 45 -2.215 -5.444 4.813 1.00 0.00 C ATOM 775 CD2 LEU A 45 -4.005 -5.766 2.949 1.00 0.00 C ATOM 0 H LEU A 45 -6.302 -5.457 6.879 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.601 -6.786 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.448 -4.354 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.297 -4.512 6.052 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.234 -3.950 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.397 -5.428 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.970 -4.797 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.364 -6.463 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.233 -5.800 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.233 -6.780 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.905 -5.307 2.540 1.00 0.00 H new ATOM 787 N THR A 46 -3.229 -6.784 6.754 1.00 0.00 N ATOM 788 CA THR A 46 -2.022 -7.476 7.254 1.00 0.00 C ATOM 789 C THR A 46 -2.207 -8.991 7.187 1.00 0.00 C ATOM 790 O THR A 46 -1.266 -9.742 7.033 1.00 0.00 O ATOM 791 CB THR A 46 -1.821 -7.014 8.684 1.00 0.00 C ATOM 792 OG1 THR A 46 -2.817 -7.590 9.505 1.00 0.00 O ATOM 793 CG2 THR A 46 -1.888 -5.485 8.714 1.00 0.00 C ATOM 0 H THR A 46 -3.445 -5.915 7.242 1.00 0.00 H new ATOM 0 HA THR A 46 -1.149 -7.239 6.646 1.00 0.00 H new ATOM 0 HB THR A 46 -0.849 -7.330 9.062 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.604 -7.806 8.962 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.745 -5.135 9.736 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.105 -5.074 8.077 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.862 -5.156 8.350 1.00 0.00 H new ATOM 801 N SER A 47 -3.410 -9.445 7.296 1.00 0.00 N ATOM 802 CA SER A 47 -3.652 -10.913 7.228 1.00 0.00 C ATOM 803 C SER A 47 -3.642 -11.369 5.762 1.00 0.00 C ATOM 804 O SER A 47 -3.375 -12.516 5.464 1.00 0.00 O ATOM 805 CB SER A 47 -5.009 -11.234 7.855 1.00 0.00 C ATOM 806 OG SER A 47 -5.516 -12.435 7.288 1.00 0.00 O ATOM 0 H SER A 47 -4.242 -8.871 7.429 1.00 0.00 H new ATOM 0 HA SER A 47 -2.867 -11.436 7.774 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.907 -11.343 8.935 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.706 -10.414 7.682 1.00 0.00 H new ATOM 0 HG SER A 47 -6.385 -12.645 7.689 1.00 0.00 H new ATOM 812 N LEU A 48 -3.933 -10.483 4.845 1.00 0.00 N ATOM 813 CA LEU A 48 -3.941 -10.884 3.401 1.00 0.00 C ATOM 814 C LEU A 48 -2.554 -10.746 2.782 1.00 0.00 C ATOM 815 O LEU A 48 -1.909 -11.715 2.433 1.00 0.00 O ATOM 816 CB LEU A 48 -4.877 -10.018 2.555 1.00 0.00 C ATOM 817 CG LEU A 48 -6.107 -9.625 3.318 1.00 0.00 C ATOM 818 CD1 LEU A 48 -7.167 -9.151 2.326 1.00 0.00 C ATOM 819 CD2 LEU A 48 -6.634 -10.807 4.135 1.00 0.00 C ATOM 0 H LEU A 48 -4.164 -9.507 5.028 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.281 -11.920 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.349 -9.122 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.165 -10.563 1.656 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.864 -8.820 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.068 -8.862 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.787 -8.294 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.403 -9.958 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.526 -10.502 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.882 -11.630 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.869 -11.131 4.841 1.00 0.00 H new ATOM 831 N ILE A 49 -2.126 -9.525 2.582 1.00 0.00 N ATOM 832 CA ILE A 49 -0.820 -9.288 1.912 1.00 0.00 C ATOM 833 C ILE A 49 0.282 -8.977 2.938 1.00 0.00 C ATOM 834 O ILE A 49 1.447 -8.874 2.605 1.00 0.00 O ATOM 835 CB ILE A 49 -1.000 -8.201 0.836 1.00 0.00 C ATOM 836 CG1 ILE A 49 -0.468 -6.841 1.227 1.00 0.00 C ATOM 837 CG2 ILE A 49 -2.473 -7.981 0.579 1.00 0.00 C ATOM 838 CD1 ILE A 49 -1.161 -6.377 2.494 1.00 0.00 C ATOM 0 H ILE A 49 -2.630 -8.682 2.857 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.484 -10.193 1.405 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.446 -8.573 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.609 -6.891 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.639 -6.126 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.598 -7.211 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.925 -8.911 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.959 -7.662 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.780 -5.396 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.235 -6.312 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.967 -7.089 3.296 1.00 0.00 H new ATOM 850 N ARG A 50 -0.072 -8.934 4.193 1.00 0.00 N ATOM 851 CA ARG A 50 0.945 -8.755 5.281 1.00 0.00 C ATOM 852 C ARG A 50 1.779 -7.505 5.135 1.00 0.00 C ATOM 853 O ARG A 50 2.975 -7.514 5.349 1.00 0.00 O ATOM 854 CB ARG A 50 1.850 -9.964 5.269 1.00 0.00 C ATOM 855 CG ARG A 50 0.990 -11.167 4.924 1.00 0.00 C ATOM 856 CD ARG A 50 1.326 -12.316 5.868 1.00 0.00 C ATOM 857 NE ARG A 50 2.781 -12.282 6.222 1.00 0.00 N ATOM 858 CZ ARG A 50 3.699 -12.118 5.304 1.00 0.00 C ATOM 859 NH1 ARG A 50 3.387 -12.161 4.037 1.00 0.00 N ATOM 860 NH2 ARG A 50 4.945 -11.960 5.658 1.00 0.00 N ATOM 0 H ARG A 50 -1.035 -9.016 4.520 1.00 0.00 H new ATOM 0 HA ARG A 50 0.407 -8.651 6.223 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.648 -9.839 4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.326 -10.098 6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.066 -10.909 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.163 -11.468 3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.722 -12.243 6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.080 -13.268 5.397 1.00 0.00 H new ATOM 0 HE ARG A 50 3.062 -12.389 7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.420 -12.324 3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.110 -12.032 3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.199 -11.965 6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.665 -11.832 4.947 1.00 0.00 H new ATOM 874 N LEU A 51 1.162 -6.425 4.847 1.00 0.00 N ATOM 875 CA LEU A 51 1.941 -5.160 4.778 1.00 0.00 C ATOM 876 C LEU A 51 1.843 -4.507 6.148 1.00 0.00 C ATOM 877 O LEU A 51 1.775 -3.308 6.287 1.00 0.00 O ATOM 878 CB LEU A 51 1.413 -4.221 3.686 1.00 0.00 C ATOM 879 CG LEU A 51 2.394 -4.196 2.509 1.00 0.00 C ATOM 880 CD1 LEU A 51 1.735 -3.509 1.317 1.00 0.00 C ATOM 881 CD2 LEU A 51 3.653 -3.421 2.909 1.00 0.00 C ATOM 0 H LEU A 51 0.163 -6.345 4.655 1.00 0.00 H new ATOM 0 HA LEU A 51 2.978 -5.372 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.432 -4.556 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.286 -3.216 4.087 1.00 0.00 H new ATOM 0 HG LEU A 51 2.666 -5.217 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.431 -3.490 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.837 -4.057 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.466 -2.488 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.351 -3.403 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.382 -2.400 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.124 -3.908 3.763 1.00 0.00 H new ATOM 893 N THR A 52 1.847 -5.332 7.160 1.00 0.00 N ATOM 894 CA THR A 52 1.765 -4.858 8.563 1.00 0.00 C ATOM 895 C THR A 52 0.619 -3.858 8.725 1.00 0.00 C ATOM 896 O THR A 52 0.128 -3.320 7.759 1.00 0.00 O ATOM 897 CB THR A 52 3.084 -4.212 8.952 1.00 0.00 C ATOM 898 OG1 THR A 52 3.713 -3.683 7.794 1.00 0.00 O ATOM 899 CG2 THR A 52 3.995 -5.266 9.573 1.00 0.00 C ATOM 0 H THR A 52 1.906 -6.346 7.064 1.00 0.00 H new ATOM 0 HA THR A 52 1.570 -5.708 9.217 1.00 0.00 H new ATOM 0 HB THR A 52 2.899 -3.411 9.668 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.177 -4.402 7.316 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.943 -4.808 9.854 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.517 -5.683 10.459 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.177 -6.061 8.850 1.00 0.00 H new ATOM 907 N PRO A 53 0.219 -3.654 9.953 1.00 0.00 N ATOM 908 CA PRO A 53 -0.899 -2.712 10.186 1.00 0.00 C ATOM 909 C PRO A 53 -0.486 -1.266 9.892 1.00 0.00 C ATOM 910 O PRO A 53 -0.652 -0.784 8.789 1.00 0.00 O ATOM 911 CB PRO A 53 -1.292 -2.883 11.654 1.00 0.00 C ATOM 912 CG PRO A 53 -0.436 -4.024 12.229 1.00 0.00 C ATOM 913 CD PRO A 53 0.508 -4.507 11.125 1.00 0.00 C ATOM 0 HA PRO A 53 -1.736 -2.925 9.521 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.122 -1.959 12.207 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.353 -3.117 11.743 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.132 -3.677 13.092 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -1.070 -4.841 12.573 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.550 -4.412 11.431 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.337 -5.559 10.896 1.00 0.00 H new ATOM 921 N THR A 54 0.037 -0.563 10.861 1.00 0.00 N ATOM 922 CA THR A 54 0.438 0.846 10.615 1.00 0.00 C ATOM 923 C THR A 54 1.011 0.962 9.205 1.00 0.00 C ATOM 924 O THR A 54 0.523 1.715 8.386 1.00 0.00 O ATOM 925 CB THR A 54 1.498 1.260 11.632 1.00 0.00 C ATOM 926 OG1 THR A 54 0.866 1.617 12.855 1.00 0.00 O ATOM 927 CG2 THR A 54 2.270 2.454 11.085 1.00 0.00 C ATOM 0 H THR A 54 0.202 -0.905 11.808 1.00 0.00 H new ATOM 0 HA THR A 54 -0.430 1.498 10.715 1.00 0.00 H new ATOM 0 HB THR A 54 2.184 0.432 11.811 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.546 1.881 13.510 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.030 2.757 11.805 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.750 2.178 10.146 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.583 3.283 10.912 1.00 0.00 H new ATOM 935 N GLN A 55 2.034 0.210 8.913 1.00 0.00 N ATOM 936 CA GLN A 55 2.635 0.257 7.553 1.00 0.00 C ATOM 937 C GLN A 55 1.524 0.483 6.528 1.00 0.00 C ATOM 938 O GLN A 55 1.528 1.448 5.790 1.00 0.00 O ATOM 939 CB GLN A 55 3.316 -1.078 7.266 1.00 0.00 C ATOM 940 CG GLN A 55 3.582 -1.210 5.765 1.00 0.00 C ATOM 941 CD GLN A 55 4.348 0.020 5.271 1.00 0.00 C ATOM 942 OE1 GLN A 55 3.984 0.619 4.279 1.00 0.00 O ATOM 943 NE2 GLN A 55 5.404 0.422 5.925 1.00 0.00 N ATOM 0 H GLN A 55 2.481 -0.438 9.561 1.00 0.00 H new ATOM 0 HA GLN A 55 3.364 1.065 7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.253 -1.145 7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.686 -1.899 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.157 -2.114 5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.640 -1.306 5.225 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.710 -0.081 6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.923 1.239 5.603 1.00 0.00 H new ATOM 952 N VAL A 56 0.568 -0.404 6.484 1.00 0.00 N ATOM 953 CA VAL A 56 -0.550 -0.248 5.517 1.00 0.00 C ATOM 954 C VAL A 56 -1.037 1.197 5.533 1.00 0.00 C ATOM 955 O VAL A 56 -1.138 1.846 4.512 1.00 0.00 O ATOM 956 CB VAL A 56 -1.707 -1.159 5.926 1.00 0.00 C ATOM 957 CG1 VAL A 56 -2.916 -0.858 5.040 1.00 0.00 C ATOM 958 CG2 VAL A 56 -1.299 -2.616 5.740 1.00 0.00 C ATOM 0 H VAL A 56 0.515 -1.231 7.078 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.202 -0.513 4.519 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.959 -0.983 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.746 -1.504 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.208 0.185 5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.657 -1.040 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.125 -3.265 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.050 -2.793 4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.430 -2.833 6.361 1.00 0.00 H new ATOM 968 N LYS A 57 -1.347 1.698 6.692 1.00 0.00 N ATOM 969 CA LYS A 57 -1.837 3.095 6.798 1.00 0.00 C ATOM 970 C LYS A 57 -0.809 4.049 6.196 1.00 0.00 C ATOM 971 O LYS A 57 -1.136 4.917 5.412 1.00 0.00 O ATOM 972 CB LYS A 57 -2.048 3.425 8.269 1.00 0.00 C ATOM 973 CG LYS A 57 -2.182 4.935 8.458 1.00 0.00 C ATOM 974 CD LYS A 57 -2.647 5.222 9.889 1.00 0.00 C ATOM 975 CE LYS A 57 -2.005 4.216 10.851 1.00 0.00 C ATOM 976 NZ LYS A 57 -2.298 4.618 12.256 1.00 0.00 N ATOM 0 H LYS A 57 -1.281 1.195 7.577 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.776 3.203 6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.944 2.924 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.210 3.051 8.857 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.227 5.424 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.896 5.342 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.374 6.238 10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.733 5.155 9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.392 3.215 10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.928 4.178 10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.863 3.936 12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.909 5.566 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.327 4.633 12.405 1.00 0.00 H new ATOM 990 N ILE A 58 0.434 3.892 6.555 1.00 0.00 N ATOM 991 CA ILE A 58 1.482 4.789 6.001 1.00 0.00 C ATOM 992 C ILE A 58 1.426 4.743 4.474 1.00 0.00 C ATOM 993 O ILE A 58 1.807 5.679 3.799 1.00 0.00 O ATOM 994 CB ILE A 58 2.859 4.325 6.483 1.00 0.00 C ATOM 995 CG1 ILE A 58 2.817 4.078 7.994 1.00 0.00 C ATOM 996 CG2 ILE A 58 3.900 5.401 6.173 1.00 0.00 C ATOM 997 CD1 ILE A 58 1.971 5.159 8.671 1.00 0.00 C ATOM 0 H ILE A 58 0.768 3.182 7.207 1.00 0.00 H new ATOM 0 HA ILE A 58 1.310 5.810 6.341 1.00 0.00 H new ATOM 0 HB ILE A 58 3.128 3.401 5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.398 3.093 8.200 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.828 4.086 8.402 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.880 5.069 6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.933 5.576 5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.631 6.326 6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.944 4.980 9.746 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.409 6.138 8.478 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.957 5.130 8.272 1.00 0.00 H new ATOM 1009 N TRP A 59 0.943 3.662 3.921 1.00 0.00 N ATOM 1010 CA TRP A 59 0.853 3.560 2.438 1.00 0.00 C ATOM 1011 C TRP A 59 -0.427 4.252 1.965 1.00 0.00 C ATOM 1012 O TRP A 59 -0.433 4.967 0.984 1.00 0.00 O ATOM 1013 CB TRP A 59 0.821 2.087 2.025 1.00 0.00 C ATOM 1014 CG TRP A 59 0.232 1.970 0.654 1.00 0.00 C ATOM 1015 CD1 TRP A 59 0.927 2.078 -0.502 1.00 0.00 C ATOM 1016 CD2 TRP A 59 -1.155 1.727 0.276 1.00 0.00 C ATOM 1017 NE1 TRP A 59 0.055 1.916 -1.564 1.00 0.00 N ATOM 1018 CE2 TRP A 59 -1.239 1.697 -1.135 1.00 0.00 C ATOM 1019 CE3 TRP A 59 -2.334 1.531 1.016 1.00 0.00 C ATOM 1020 CZ2 TRP A 59 -2.451 1.482 -1.791 1.00 0.00 C ATOM 1021 CZ3 TRP A 59 -3.557 1.314 0.359 1.00 0.00 C ATOM 1022 CH2 TRP A 59 -3.615 1.290 -1.042 1.00 0.00 C ATOM 0 H TRP A 59 0.607 2.846 4.433 1.00 0.00 H new ATOM 0 HA TRP A 59 1.720 4.041 1.985 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.829 1.672 2.037 1.00 0.00 H new ATOM 0 HB3 TRP A 59 0.231 1.511 2.737 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.988 2.261 -0.583 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.334 1.954 -2.544 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.300 1.547 2.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.490 1.464 -2.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.458 1.165 0.936 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.558 1.123 -1.541 1.00 0.00 H new ATOM 1033 N PHE A 60 -1.512 4.045 2.661 1.00 0.00 N ATOM 1034 CA PHE A 60 -2.792 4.694 2.260 1.00 0.00 C ATOM 1035 C PHE A 60 -2.539 6.174 1.973 1.00 0.00 C ATOM 1036 O PHE A 60 -2.852 6.677 0.912 1.00 0.00 O ATOM 1037 CB PHE A 60 -3.806 4.563 3.399 1.00 0.00 C ATOM 1038 CG PHE A 60 -4.693 3.365 3.155 1.00 0.00 C ATOM 1039 CD1 PHE A 60 -4.261 2.088 3.532 1.00 0.00 C ATOM 1040 CD2 PHE A 60 -5.945 3.531 2.552 1.00 0.00 C ATOM 1041 CE1 PHE A 60 -5.081 0.977 3.306 1.00 0.00 C ATOM 1042 CE2 PHE A 60 -6.767 2.419 2.326 1.00 0.00 C ATOM 1043 CZ PHE A 60 -6.334 1.142 2.703 1.00 0.00 C ATOM 0 H PHE A 60 -1.567 3.454 3.491 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.184 4.210 1.366 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.286 4.455 4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.410 5.468 3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.295 1.960 3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.278 4.516 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.747 -0.008 3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.734 2.547 1.861 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.966 0.284 2.529 1.00 0.00 H new ATOM 1053 N GLN A 61 -1.972 6.876 2.915 1.00 0.00 N ATOM 1054 CA GLN A 61 -1.694 8.324 2.709 1.00 0.00 C ATOM 1055 C GLN A 61 -1.322 8.575 1.245 1.00 0.00 C ATOM 1056 O GLN A 61 -1.959 9.348 0.558 1.00 0.00 O ATOM 1057 CB GLN A 61 -0.533 8.748 3.614 1.00 0.00 C ATOM 1058 CG GLN A 61 -0.495 10.274 3.719 1.00 0.00 C ATOM 1059 CD GLN A 61 -1.102 10.706 5.055 1.00 0.00 C ATOM 1060 OE1 GLN A 61 -0.823 10.116 6.081 1.00 0.00 O ATOM 1061 NE2 GLN A 61 -1.926 11.717 5.089 1.00 0.00 N ATOM 0 H GLN A 61 -1.688 6.507 3.822 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.583 8.905 2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.651 8.308 4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.410 8.378 3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.533 10.629 3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.050 10.720 2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.161 12.213 4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.335 12.012 5.976 1.00 0.00 H new ATOM 1070 N ASN A 62 -0.295 7.931 0.764 1.00 0.00 N ATOM 1071 CA ASN A 62 0.117 8.138 -0.654 1.00 0.00 C ATOM 1072 C ASN A 62 -1.087 7.937 -1.577 1.00 0.00 C ATOM 1073 O ASN A 62 -1.415 8.789 -2.377 1.00 0.00 O ATOM 1074 CB ASN A 62 1.210 7.132 -1.020 1.00 0.00 C ATOM 1075 CG ASN A 62 1.459 7.176 -2.528 1.00 0.00 C ATOM 1076 OD1 ASN A 62 1.947 8.161 -3.047 1.00 0.00 O ATOM 1077 ND2 ASN A 62 1.140 6.144 -3.260 1.00 0.00 N ATOM 0 H ASN A 62 0.277 7.271 1.291 1.00 0.00 H new ATOM 0 HA ASN A 62 0.498 9.152 -0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.129 7.365 -0.482 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.911 6.128 -0.719 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.300 6.164 -4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.731 5.317 -2.825 1.00 0.00 H new ATOM 1084 N HIS A 63 -1.744 6.813 -1.477 1.00 0.00 N ATOM 1085 CA HIS A 63 -2.921 6.562 -2.354 1.00 0.00 C ATOM 1086 C HIS A 63 -4.089 7.443 -1.912 1.00 0.00 C ATOM 1087 O HIS A 63 -4.756 8.055 -2.723 1.00 0.00 O ATOM 1088 CB HIS A 63 -3.329 5.091 -2.257 1.00 0.00 C ATOM 1089 CG HIS A 63 -2.798 4.347 -3.451 1.00 0.00 C ATOM 1090 ND1 HIS A 63 -3.591 4.042 -4.545 1.00 0.00 N ATOM 1091 CD2 HIS A 63 -1.553 3.843 -3.739 1.00 0.00 C ATOM 1092 CE1 HIS A 63 -2.824 3.384 -5.432 1.00 0.00 C ATOM 1093 NE2 HIS A 63 -1.572 3.235 -4.990 1.00 0.00 N ATOM 0 H HIS A 63 -1.517 6.060 -0.827 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.658 6.799 -3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.938 4.653 -1.338 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.415 5.005 -2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.690 3.909 -3.092 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.177 3.020 -6.386 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.797 2.775 -5.467 1.00 0.00 H new ATOM 1101 N ARG A 64 -4.344 7.513 -0.633 1.00 0.00 N ATOM 1102 CA ARG A 64 -5.471 8.354 -0.138 1.00 0.00 C ATOM 1103 C ARG A 64 -5.608 9.593 -1.027 1.00 0.00 C ATOM 1104 O ARG A 64 -6.697 10.006 -1.365 1.00 0.00 O ATOM 1105 CB ARG A 64 -5.192 8.777 1.311 1.00 0.00 C ATOM 1106 CG ARG A 64 -6.150 9.901 1.734 1.00 0.00 C ATOM 1107 CD ARG A 64 -7.590 9.384 1.733 1.00 0.00 C ATOM 1108 NE ARG A 64 -8.250 9.704 3.040 1.00 0.00 N ATOM 1109 CZ ARG A 64 -7.673 9.420 4.178 1.00 0.00 C ATOM 1110 NH1 ARG A 64 -6.548 8.758 4.203 1.00 0.00 N ATOM 1111 NH2 ARG A 64 -8.241 9.773 5.299 1.00 0.00 N ATOM 0 H ARG A 64 -3.819 7.023 0.091 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.400 7.784 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.309 7.921 1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.160 9.115 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.885 10.263 2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.057 10.746 1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.148 9.838 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.598 8.307 1.566 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.166 10.152 3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.113 8.459 3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.104 8.540 5.095 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.132 10.269 5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.794 9.553 6.189 1.00 0.00 H new ATOM 1125 N TYR A 65 -4.509 10.191 -1.395 1.00 0.00 N ATOM 1126 CA TYR A 65 -4.568 11.414 -2.254 1.00 0.00 C ATOM 1127 C TYR A 65 -4.940 11.054 -3.703 1.00 0.00 C ATOM 1128 O TYR A 65 -5.777 11.697 -4.306 1.00 0.00 O ATOM 1129 CB TYR A 65 -3.201 12.102 -2.243 1.00 0.00 C ATOM 1130 CG TYR A 65 -3.390 13.600 -2.248 1.00 0.00 C ATOM 1131 CD1 TYR A 65 -3.620 14.280 -1.046 1.00 0.00 C ATOM 1132 CD2 TYR A 65 -3.335 14.308 -3.453 1.00 0.00 C ATOM 1133 CE1 TYR A 65 -3.795 15.670 -1.051 1.00 0.00 C ATOM 1134 CE2 TYR A 65 -3.510 15.697 -3.459 1.00 0.00 C ATOM 1135 CZ TYR A 65 -3.740 16.377 -2.257 1.00 0.00 C ATOM 1136 OH TYR A 65 -3.911 17.747 -2.262 1.00 0.00 O ATOM 0 H TYR A 65 -3.569 9.887 -1.139 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.333 12.080 -1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.637 11.799 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.621 11.795 -3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.662 13.733 -0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.157 13.783 -4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.972 16.196 -0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.468 16.243 -4.390 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.842 18.082 -3.180 1.00 0.00 H new ATOM 1146 N LYS A 66 -4.324 10.055 -4.281 1.00 0.00 N ATOM 1147 CA LYS A 66 -4.656 9.700 -5.691 1.00 0.00 C ATOM 1148 C LYS A 66 -5.953 8.891 -5.737 1.00 0.00 C ATOM 1149 O LYS A 66 -6.818 9.148 -6.549 1.00 0.00 O ATOM 1150 CB LYS A 66 -3.517 8.875 -6.293 1.00 0.00 C ATOM 1151 CG LYS A 66 -2.228 9.701 -6.286 1.00 0.00 C ATOM 1152 CD LYS A 66 -1.125 8.924 -5.564 1.00 0.00 C ATOM 1153 CE LYS A 66 -0.727 7.706 -6.401 1.00 0.00 C ATOM 1154 NZ LYS A 66 0.667 7.880 -6.899 1.00 0.00 N ATOM 0 H LYS A 66 -3.611 9.474 -3.840 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.787 10.616 -6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.377 7.958 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.767 8.580 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.921 9.923 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.399 10.656 -5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.259 9.566 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.473 8.605 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.800 6.799 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.412 7.588 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.938 7.053 -7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.722 8.737 -7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.315 7.972 -6.091 1.00 0.00 H new ATOM 1168 N THR A 67 -6.101 7.919 -4.878 1.00 0.00 N ATOM 1169 CA THR A 67 -7.355 7.114 -4.892 1.00 0.00 C ATOM 1170 C THR A 67 -8.537 8.060 -5.095 1.00 0.00 C ATOM 1171 O THR A 67 -9.626 7.651 -5.446 1.00 0.00 O ATOM 1172 CB THR A 67 -7.510 6.376 -3.561 1.00 0.00 C ATOM 1173 OG1 THR A 67 -6.690 6.992 -2.580 1.00 0.00 O ATOM 1174 CG2 THR A 67 -7.093 4.918 -3.736 1.00 0.00 C ATOM 0 H THR A 67 -5.415 7.649 -4.173 1.00 0.00 H new ATOM 0 HA THR A 67 -7.319 6.382 -5.699 1.00 0.00 H new ATOM 0 HB THR A 67 -8.551 6.418 -3.240 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.324 7.828 -2.938 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.203 4.392 -2.788 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.725 4.447 -4.488 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.052 4.873 -4.057 1.00 0.00 H new ATOM 1182 N LYS A 68 -8.315 9.326 -4.884 1.00 0.00 N ATOM 1183 CA LYS A 68 -9.403 10.325 -5.065 1.00 0.00 C ATOM 1184 C LYS A 68 -9.481 10.705 -6.544 1.00 0.00 C ATOM 1185 O LYS A 68 -10.535 10.687 -7.148 1.00 0.00 O ATOM 1186 CB LYS A 68 -9.096 11.572 -4.228 1.00 0.00 C ATOM 1187 CG LYS A 68 -8.277 11.176 -3.000 1.00 0.00 C ATOM 1188 CD LYS A 68 -7.850 12.434 -2.240 1.00 0.00 C ATOM 1189 CE LYS A 68 -9.055 13.358 -2.051 1.00 0.00 C ATOM 1190 NZ LYS A 68 -10.242 12.555 -1.640 1.00 0.00 N ATOM 0 H LYS A 68 -7.419 9.715 -4.591 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.354 9.903 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.545 12.298 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.024 12.053 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.867 10.529 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.399 10.607 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.434 12.161 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.064 12.953 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.833 14.111 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.267 13.890 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.874 13.142 -1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.751 12.230 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.929 11.732 -1.087 1.00 0.00 H new ATOM 1204 N ARG A 69 -8.365 11.038 -7.135 1.00 0.00 N ATOM 1205 CA ARG A 69 -8.364 11.407 -8.575 1.00 0.00 C ATOM 1206 C ARG A 69 -8.951 10.253 -9.389 1.00 0.00 C ATOM 1207 O ARG A 69 -9.409 10.430 -10.500 1.00 0.00 O ATOM 1208 CB ARG A 69 -6.924 11.665 -9.024 1.00 0.00 C ATOM 1209 CG ARG A 69 -6.564 13.132 -8.782 1.00 0.00 C ATOM 1210 CD ARG A 69 -6.332 13.360 -7.287 1.00 0.00 C ATOM 1211 NE ARG A 69 -7.079 14.574 -6.838 1.00 0.00 N ATOM 1212 CZ ARG A 69 -7.091 15.661 -7.564 1.00 0.00 C ATOM 1213 NH1 ARG A 69 -6.388 15.728 -8.662 1.00 0.00 N ATOM 1214 NH2 ARG A 69 -7.791 16.692 -7.179 1.00 0.00 N ATOM 0 H ARG A 69 -7.453 11.070 -6.679 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.963 12.305 -8.729 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.240 11.017 -8.475 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.813 11.423 -10.081 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.668 13.395 -9.344 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.366 13.778 -9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.662 12.489 -6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.267 13.483 -7.090 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.586 14.554 -5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.826 14.930 -8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.401 16.579 -9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.328 16.649 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.802 17.541 -7.744 1.00 0.00 H new ATOM 1228 N ALA A 70 -8.940 9.069 -8.839 1.00 0.00 N ATOM 1229 CA ALA A 70 -9.495 7.897 -9.572 1.00 0.00 C ATOM 1230 C ALA A 70 -10.972 8.142 -9.883 1.00 0.00 C ATOM 1231 O ALA A 70 -11.430 7.910 -10.985 1.00 0.00 O ATOM 1232 CB ALA A 70 -9.358 6.645 -8.704 1.00 0.00 C ATOM 0 H ALA A 70 -8.569 8.863 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.947 7.757 -10.504 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.764 5.786 -9.238 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.305 6.470 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.907 6.786 -7.773 1.00 0.00 H new ATOM 1238 N GLN A 71 -11.721 8.608 -8.922 1.00 0.00 N ATOM 1239 CA GLN A 71 -13.167 8.866 -9.166 1.00 0.00 C ATOM 1240 C GLN A 71 -13.331 9.607 -10.495 1.00 0.00 C ATOM 1241 O GLN A 71 -14.175 9.273 -11.302 1.00 0.00 O ATOM 1242 CB GLN A 71 -13.731 9.720 -8.031 1.00 0.00 C ATOM 1243 CG GLN A 71 -14.613 8.853 -7.131 1.00 0.00 C ATOM 1244 CD GLN A 71 -15.018 9.652 -5.891 1.00 0.00 C ATOM 1245 OE1 GLN A 71 -16.186 9.759 -5.577 1.00 0.00 O ATOM 1246 NE2 GLN A 71 -14.093 10.219 -5.166 1.00 0.00 N ATOM 0 H GLN A 71 -11.394 8.821 -7.980 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.706 7.919 -9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.918 10.156 -7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.311 10.548 -8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.501 8.531 -7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.075 7.952 -6.836 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.112 10.129 -5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.351 10.752 -4.336 1.00 0.00 H new ATOM 1255 N ASN A 72 -12.530 10.609 -10.729 1.00 0.00 N ATOM 1256 CA ASN A 72 -12.640 11.366 -12.007 1.00 0.00 C ATOM 1257 C ASN A 72 -12.181 10.476 -13.164 1.00 0.00 C ATOM 1258 O ASN A 72 -12.642 10.605 -14.280 1.00 0.00 O ATOM 1259 CB ASN A 72 -11.757 12.615 -11.940 1.00 0.00 C ATOM 1260 CG ASN A 72 -12.020 13.491 -13.167 1.00 0.00 C ATOM 1261 OD1 ASN A 72 -13.104 13.478 -13.716 1.00 0.00 O ATOM 1262 ND2 ASN A 72 -11.066 14.256 -13.623 1.00 0.00 N ATOM 0 H ASN A 72 -11.805 10.936 -10.091 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.676 11.665 -12.166 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.968 13.174 -11.028 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.706 12.329 -11.902 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.230 14.843 -14.441 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.156 14.267 -13.162 1.00 0.00 H new ATOM 1269 N GLU A 73 -11.296 9.554 -12.898 1.00 0.00 N ATOM 1270 CA GLU A 73 -10.830 8.635 -13.969 1.00 0.00 C ATOM 1271 C GLU A 73 -11.799 7.470 -13.994 1.00 0.00 C ATOM 1272 O GLU A 73 -11.493 6.380 -14.435 1.00 0.00 O ATOM 1273 CB GLU A 73 -9.422 8.135 -13.645 1.00 0.00 C ATOM 1274 CG GLU A 73 -8.405 8.884 -14.506 1.00 0.00 C ATOM 1275 CD GLU A 73 -8.524 10.386 -14.249 1.00 0.00 C ATOM 1276 OE1 GLU A 73 -9.600 10.921 -14.462 1.00 0.00 O ATOM 1277 OE2 GLU A 73 -7.536 10.978 -13.845 1.00 0.00 O ATOM 0 H GLU A 73 -10.876 9.399 -11.982 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.796 9.138 -14.935 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.204 8.289 -12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.353 7.063 -13.831 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.396 8.544 -14.274 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.579 8.670 -15.561 1.00 0.00 H new ATOM 1284 N LYS A 74 -12.960 7.701 -13.464 1.00 0.00 N ATOM 1285 CA LYS A 74 -13.977 6.636 -13.374 1.00 0.00 C ATOM 1286 C LYS A 74 -15.278 7.102 -14.032 1.00 0.00 C ATOM 1287 O LYS A 74 -16.334 6.545 -13.805 1.00 0.00 O ATOM 1288 CB LYS A 74 -14.202 6.374 -11.890 1.00 0.00 C ATOM 1289 CG LYS A 74 -13.984 4.889 -11.584 1.00 0.00 C ATOM 1290 CD LYS A 74 -12.486 4.568 -11.608 1.00 0.00 C ATOM 1291 CE LYS A 74 -12.154 3.597 -10.473 1.00 0.00 C ATOM 1292 NZ LYS A 74 -12.072 4.346 -9.185 1.00 0.00 N ATOM 0 H LYS A 74 -13.250 8.602 -13.083 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.650 5.731 -13.886 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.518 6.981 -11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.214 6.667 -11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.402 4.644 -10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.508 4.276 -12.318 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.213 4.129 -12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.905 5.484 -11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.918 2.823 -10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.208 3.095 -10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.301 3.957 -8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.886 5.351 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.972 4.253 -8.672 1.00 0.00 H new ATOM 1306 N GLY A 75 -15.210 8.120 -14.848 1.00 0.00 N ATOM 1307 CA GLY A 75 -16.442 8.620 -15.521 1.00 0.00 C ATOM 1308 C GLY A 75 -16.322 8.413 -17.032 1.00 0.00 C ATOM 1309 O GLY A 75 -17.206 7.870 -17.666 1.00 0.00 O ATOM 0 H GLY A 75 -14.355 8.626 -15.077 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.316 8.092 -15.140 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.586 9.677 -15.299 1.00 0.00 H new ATOM 1313 N TYR A 76 -15.237 8.845 -17.616 1.00 0.00 N ATOM 1314 CA TYR A 76 -15.062 8.674 -19.087 1.00 0.00 C ATOM 1315 C TYR A 76 -14.111 7.507 -19.358 1.00 0.00 C ATOM 1316 O TYR A 76 -13.682 6.819 -18.454 1.00 0.00 O ATOM 1317 CB TYR A 76 -14.476 9.957 -19.680 1.00 0.00 C ATOM 1318 CG TYR A 76 -14.751 11.113 -18.749 1.00 0.00 C ATOM 1319 CD1 TYR A 76 -16.064 11.399 -18.359 1.00 0.00 C ATOM 1320 CD2 TYR A 76 -13.693 11.897 -18.275 1.00 0.00 C ATOM 1321 CE1 TYR A 76 -16.319 12.469 -17.494 1.00 0.00 C ATOM 1322 CE2 TYR A 76 -13.948 12.968 -17.411 1.00 0.00 C ATOM 1323 CZ TYR A 76 -15.261 13.254 -17.021 1.00 0.00 C ATOM 1324 OH TYR A 76 -15.513 14.309 -16.168 1.00 0.00 O ATOM 0 H TYR A 76 -14.464 9.309 -17.138 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.029 8.467 -19.546 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -13.402 9.844 -19.829 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.915 10.152 -20.658 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -16.880 10.794 -18.725 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.680 11.675 -18.576 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -17.332 12.689 -17.191 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.132 13.573 -17.045 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.669 14.749 -15.934 1.00 0.00 H new ATOM 1334 N GLU A 77 -13.775 7.280 -20.600 1.00 0.00 N ATOM 1335 CA GLU A 77 -12.851 6.159 -20.931 1.00 0.00 C ATOM 1336 C GLU A 77 -12.656 6.089 -22.446 1.00 0.00 C ATOM 1337 O GLU A 77 -11.597 5.742 -22.930 1.00 0.00 O ATOM 1338 CB GLU A 77 -13.445 4.840 -20.431 1.00 0.00 C ATOM 1339 CG GLU A 77 -14.964 4.864 -20.602 1.00 0.00 C ATOM 1340 CD GLU A 77 -15.435 3.525 -21.169 1.00 0.00 C ATOM 1341 OE1 GLU A 77 -14.856 2.513 -20.806 1.00 0.00 O ATOM 1342 OE2 GLU A 77 -16.365 3.532 -21.958 1.00 0.00 O ATOM 0 H GLU A 77 -14.101 7.823 -21.399 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.889 6.329 -20.448 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.020 4.004 -20.987 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.189 4.689 -19.382 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.446 5.054 -19.643 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.253 5.675 -21.270 1.00 0.00 H new ATOM 1349 N GLY A 78 -13.670 6.414 -23.201 1.00 0.00 N ATOM 1350 CA GLY A 78 -13.541 6.364 -24.685 1.00 0.00 C ATOM 1351 C GLY A 78 -13.088 4.967 -25.112 1.00 0.00 C ATOM 1352 O GLY A 78 -13.052 4.046 -24.321 1.00 0.00 O ATOM 0 H GLY A 78 -14.582 6.712 -22.854 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.496 6.607 -25.152 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.822 7.110 -25.023 1.00 0.00 H new ATOM 1356 N HIS A 79 -12.742 4.800 -26.360 1.00 0.00 N ATOM 1357 CA HIS A 79 -12.292 3.462 -26.833 1.00 0.00 C ATOM 1358 C HIS A 79 -10.933 3.133 -26.209 1.00 0.00 C ATOM 1359 O HIS A 79 -10.135 4.015 -25.962 1.00 0.00 O ATOM 1360 CB HIS A 79 -12.159 3.477 -28.359 1.00 0.00 C ATOM 1361 CG HIS A 79 -13.512 3.687 -28.982 1.00 0.00 C ATOM 1362 ND1 HIS A 79 -14.568 4.496 -28.636 1.00 0.00 N flip ATOM 1363 CD2 HIS A 79 -13.912 3.012 -30.124 1.00 0.00 C flip ATOM 1364 CE1 HIS A 79 -15.606 4.326 -29.547 1.00 0.00 C flip ATOM 1365 NE2 HIS A 79 -15.159 3.422 -30.423 1.00 0.00 N flip ATOM 0 H HIS A 79 -12.752 5.532 -27.070 1.00 0.00 H new ATOM 0 HA HIS A 79 -13.022 2.708 -26.539 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.479 4.271 -28.667 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.730 2.537 -28.706 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.329 2.288 -30.674 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -16.567 4.819 -29.546 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -15.697 3.084 -31.221 1.00 0.00 H new ATOM 1373 N PRO A 80 -10.712 1.865 -25.978 1.00 0.00 N ATOM 1374 CA PRO A 80 -9.417 1.468 -25.381 1.00 0.00 C ATOM 1375 C PRO A 80 -8.263 1.920 -26.280 1.00 0.00 C ATOM 1376 O PRO A 80 -7.124 1.778 -25.867 1.00 0.00 O ATOM 1377 CB PRO A 80 -9.454 -0.063 -25.290 1.00 0.00 C ATOM 1378 CG PRO A 80 -10.814 -0.531 -25.847 1.00 0.00 C ATOM 1379 CD PRO A 80 -11.606 0.720 -26.252 1.00 0.00 C ATOM 1380 OXT PRO A 80 -8.539 2.403 -27.366 1.00 0.00 O ATOM 0 HA PRO A 80 -9.264 1.924 -24.403 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.635 -0.500 -25.861 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.331 -0.388 -24.257 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.671 -1.188 -26.705 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.359 -1.103 -25.096 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.884 0.684 -27.305 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.531 0.800 -25.681 1.00 0.00 H new TER 1388 PRO A 80