USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 597 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 Single : A 1 GLY N :NH3+ -123:sc= 0.0772 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -2:sc= 0.273 USER MOD Single : A 6 SER OG : rot 35:sc= 0.354 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -2.47 K(o=-2.5,f=-0.41) USER MOD Single : A 18 ASN : amide:sc= -0.889 X(o=-0.89,f=-0.82!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.528 USER MOD Single : A 21 GLN : amide:sc= -1.77 K(o=-1.8,f=-7.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.103 (180deg=-0.532) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -2.43! C(o=-2.4!,f=-4.8!) USER MOD Single : A 39 THR OG1 : rot 20:sc= 0.128 USER MOD Single : A 40 ASN : amide:sc= -1.11 K(o=-1.1,f=-10!) USER MOD Single : A 41 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.31) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -129:sc= -0.067 (180deg=-1.34!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 76:sc= 0.457 USER MOD Single : A 52 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.4) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -81:sc= 0.832 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0152) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot -142:sc= 2.08 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -94:sc= 0.219 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.584 15.152 13.792 1.00 0.00 N ATOM 2 CA GLY A 1 -1.232 14.247 12.713 1.00 0.00 C ATOM 3 C GLY A 1 -0.726 14.978 11.485 1.00 0.00 C ATOM 4 O GLY A 1 -0.551 16.196 11.508 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.039 14.906 14.643 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.365 16.129 13.511 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.600 15.070 13.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.466 13.553 13.060 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.104 13.651 12.444 1.00 0.00 H new ATOM 8 N SER A 2 -0.487 14.232 10.411 1.00 0.00 N ATOM 9 CA SER A 2 0.008 14.816 9.170 1.00 0.00 C ATOM 10 C SER A 2 -0.847 14.378 7.984 1.00 0.00 C ATOM 11 O SER A 2 -1.517 13.347 8.036 1.00 0.00 O ATOM 12 CB SER A 2 1.466 14.414 8.938 1.00 0.00 C ATOM 13 OG SER A 2 1.590 13.011 8.784 1.00 0.00 O ATOM 0 H SER A 2 -0.628 13.222 10.375 1.00 0.00 H new ATOM 0 HA SER A 2 -0.053 15.901 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.848 14.916 8.049 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.076 14.746 9.778 1.00 0.00 H new ATOM 0 HG SER A 2 2.531 12.780 8.635 1.00 0.00 H new ATOM 19 N SER A 3 -0.817 15.169 6.917 1.00 0.00 N ATOM 20 CA SER A 3 -1.591 14.865 5.719 1.00 0.00 C ATOM 21 C SER A 3 -0.777 14.019 4.745 1.00 0.00 C ATOM 22 O SER A 3 0.392 13.723 4.990 1.00 0.00 O ATOM 23 CB SER A 3 -2.041 16.158 5.036 1.00 0.00 C ATOM 24 OG SER A 3 -3.231 15.956 4.293 1.00 0.00 O ATOM 0 H SER A 3 -0.265 16.025 6.857 1.00 0.00 H new ATOM 0 HA SER A 3 -2.470 14.295 6.020 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.204 16.931 5.787 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.252 16.517 4.375 1.00 0.00 H new ATOM 0 HG SER A 3 -3.498 16.798 3.868 1.00 0.00 H new ATOM 30 N GLY A 4 -1.404 13.632 3.639 1.00 0.00 N ATOM 31 CA GLY A 4 -0.724 12.823 2.644 1.00 0.00 C ATOM 32 C GLY A 4 -0.699 11.353 3.011 1.00 0.00 C ATOM 33 O GLY A 4 -1.697 10.806 3.479 1.00 0.00 O ATOM 0 H GLY A 4 -2.371 13.864 3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.219 12.945 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.298 13.182 2.525 1.00 0.00 H new ATOM 37 N SER A 5 0.444 10.710 2.796 1.00 0.00 N ATOM 38 CA SER A 5 0.593 9.292 3.102 1.00 0.00 C ATOM 39 C SER A 5 -0.665 8.519 2.721 1.00 0.00 C ATOM 40 O SER A 5 -1.099 7.622 3.444 1.00 0.00 O ATOM 41 CB SER A 5 0.894 9.099 4.590 1.00 0.00 C ATOM 42 OG SER A 5 -0.179 9.563 5.391 1.00 0.00 O ATOM 0 H SER A 5 1.281 11.148 2.411 1.00 0.00 H new ATOM 0 HA SER A 5 1.427 8.905 2.517 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.074 8.044 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.806 9.635 4.852 1.00 0.00 H new ATOM 0 HG SER A 5 -0.875 9.945 4.816 1.00 0.00 H new ATOM 48 N SER A 6 -1.247 8.873 1.580 1.00 0.00 N ATOM 49 CA SER A 6 -2.459 8.216 1.103 1.00 0.00 C ATOM 50 C SER A 6 -2.122 7.124 0.093 1.00 0.00 C ATOM 51 O SER A 6 -2.753 7.019 -0.959 1.00 0.00 O ATOM 52 CB SER A 6 -3.403 9.239 0.469 1.00 0.00 C ATOM 53 OG SER A 6 -3.815 10.209 1.417 1.00 0.00 O ATOM 0 H SER A 6 -0.899 9.611 0.968 1.00 0.00 H new ATOM 0 HA SER A 6 -2.955 7.756 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.904 9.731 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.277 8.729 0.062 1.00 0.00 H new ATOM 0 HG SER A 6 -3.082 10.387 2.043 1.00 0.00 H new ATOM 59 N GLY A 7 -1.122 6.311 0.420 1.00 0.00 N ATOM 60 CA GLY A 7 -0.719 5.236 -0.468 1.00 0.00 C ATOM 61 C GLY A 7 0.761 4.922 -0.362 1.00 0.00 C ATOM 62 O GLY A 7 1.488 4.987 -1.353 1.00 0.00 O ATOM 0 H GLY A 7 -0.584 6.378 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.295 4.341 -0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.957 5.509 -1.496 1.00 0.00 H new ATOM 66 N ASP A 8 1.207 4.582 0.842 1.00 0.00 N ATOM 67 CA ASP A 8 2.610 4.257 1.074 1.00 0.00 C ATOM 68 C ASP A 8 2.846 2.755 0.958 1.00 0.00 C ATOM 69 O ASP A 8 2.469 1.987 1.844 1.00 0.00 O ATOM 70 CB ASP A 8 3.048 4.750 2.453 1.00 0.00 C ATOM 71 CG ASP A 8 2.528 6.140 2.764 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.208 7.122 2.399 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.443 6.246 3.372 1.00 0.00 O ATOM 0 H ASP A 8 0.618 4.524 1.673 1.00 0.00 H new ATOM 0 HA ASP A 8 3.205 4.760 0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.694 4.054 3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.137 4.752 2.506 1.00 0.00 H new ATOM 78 N TYR A 9 3.470 2.342 -0.139 1.00 0.00 N ATOM 79 CA TYR A 9 3.753 0.931 -0.373 1.00 0.00 C ATOM 80 C TYR A 9 4.602 0.352 0.755 1.00 0.00 C ATOM 81 O TYR A 9 4.323 -0.735 1.262 1.00 0.00 O ATOM 82 CB TYR A 9 4.470 0.747 -1.711 1.00 0.00 C ATOM 83 CG TYR A 9 3.626 1.125 -2.907 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.292 0.745 -2.989 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.162 1.863 -3.956 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.517 1.087 -4.080 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.394 2.210 -5.050 1.00 0.00 C ATOM 88 CZ TYR A 9 2.072 1.820 -5.108 1.00 0.00 C ATOM 89 OH TYR A 9 1.303 2.164 -6.196 1.00 0.00 O ATOM 0 H TYR A 9 3.790 2.965 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 9 2.804 0.396 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.378 1.350 -1.713 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.778 -0.294 -1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.853 0.172 -2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.197 2.170 -3.915 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.482 0.782 -4.128 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.826 2.784 -5.856 1.00 0.00 H new ATOM 0 HH TYR A 9 1.844 2.680 -6.829 1.00 0.00 H new ATOM 99 N TYR A 10 5.639 1.086 1.143 1.00 0.00 N ATOM 100 CA TYR A 10 6.530 0.646 2.209 1.00 0.00 C ATOM 101 C TYR A 10 5.736 0.188 3.429 1.00 0.00 C ATOM 102 O TYR A 10 6.027 -0.853 4.017 1.00 0.00 O ATOM 103 CB TYR A 10 7.485 1.774 2.603 1.00 0.00 C ATOM 104 CG TYR A 10 8.370 2.242 1.469 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.197 1.352 0.795 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.377 3.573 1.071 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.007 1.775 -0.241 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.183 4.005 0.035 1.00 0.00 C ATOM 109 CZ TYR A 10 9.996 3.102 -0.617 1.00 0.00 C ATOM 110 OH TYR A 10 10.801 3.527 -1.649 1.00 0.00 O ATOM 0 H TYR A 10 5.883 1.988 0.735 1.00 0.00 H new ATOM 0 HA TYR A 10 7.110 -0.199 1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.903 2.619 2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.113 1.436 3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.207 0.312 1.086 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.741 4.282 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.645 1.071 -0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.176 5.043 -0.262 1.00 0.00 H new ATOM 0 HH TYR A 10 10.674 4.489 -1.789 1.00 0.00 H new ATOM 120 N GLN A 11 4.732 0.975 3.803 1.00 0.00 N ATOM 121 CA GLN A 11 3.896 0.651 4.952 1.00 0.00 C ATOM 122 C GLN A 11 2.997 -0.544 4.652 1.00 0.00 C ATOM 123 O GLN A 11 2.860 -1.452 5.474 1.00 0.00 O ATOM 124 CB GLN A 11 3.043 1.859 5.346 1.00 0.00 C ATOM 125 CG GLN A 11 3.756 2.830 6.273 1.00 0.00 C ATOM 126 CD GLN A 11 5.183 3.107 5.843 1.00 0.00 C ATOM 127 OE1 GLN A 11 6.133 2.767 6.548 1.00 0.00 O ATOM 128 NE2 GLN A 11 5.341 3.728 4.680 1.00 0.00 N ATOM 0 H GLN A 11 4.478 1.841 3.327 1.00 0.00 H new ATOM 0 HA GLN A 11 4.551 0.390 5.783 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.739 2.388 4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.133 1.508 5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.202 3.768 6.306 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.758 2.425 7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.525 3.992 4.128 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.278 3.941 4.339 1.00 0.00 H new ATOM 137 N ILE A 12 2.388 -0.538 3.472 1.00 0.00 N ATOM 138 CA ILE A 12 1.503 -1.623 3.064 1.00 0.00 C ATOM 139 C ILE A 12 2.197 -2.975 3.188 1.00 0.00 C ATOM 140 O ILE A 12 1.581 -3.968 3.576 1.00 0.00 O ATOM 141 CB ILE A 12 1.018 -1.438 1.614 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.087 -0.228 1.514 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.314 -2.696 1.127 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.288 0.130 0.093 1.00 0.00 C ATOM 0 H ILE A 12 2.491 0.205 2.781 1.00 0.00 H new ATOM 0 HA ILE A 12 0.642 -1.597 3.733 1.00 0.00 H new ATOM 0 HB ILE A 12 1.884 -1.259 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.822 -0.431 2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.569 0.631 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.023 -2.550 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.005 -3.538 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.545 -2.902 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.949 0.997 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.613 0.365 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.799 -0.713 -0.372 1.00 0.00 H new ATOM 156 N LEU A 13 3.483 -3.005 2.857 1.00 0.00 N ATOM 157 CA LEU A 13 4.264 -4.236 2.933 1.00 0.00 C ATOM 158 C LEU A 13 4.896 -4.396 4.312 1.00 0.00 C ATOM 159 O LEU A 13 5.093 -5.512 4.790 1.00 0.00 O ATOM 160 CB LEU A 13 5.351 -4.240 1.858 1.00 0.00 C ATOM 161 CG LEU A 13 4.888 -4.560 0.436 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.953 -4.164 -0.574 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.551 -6.038 0.305 1.00 0.00 C ATOM 0 H LEU A 13 4.007 -2.192 2.534 1.00 0.00 H new ATOM 0 HA LEU A 13 3.590 -5.076 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.830 -3.261 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.113 -4.966 2.143 1.00 0.00 H new ATOM 0 HG LEU A 13 3.987 -3.982 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.606 -4.399 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.147 -3.094 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.871 -4.714 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.223 -6.248 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.435 -6.634 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.753 -6.292 1.002 1.00 0.00 H new ATOM 175 N GLY A 14 5.209 -3.271 4.948 1.00 0.00 N ATOM 176 CA GLY A 14 5.813 -3.308 6.267 1.00 0.00 C ATOM 177 C GLY A 14 7.328 -3.308 6.211 1.00 0.00 C ATOM 178 O GLY A 14 7.985 -3.997 6.992 1.00 0.00 O ATOM 0 H GLY A 14 5.055 -2.335 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.474 -2.447 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.472 -4.199 6.795 1.00 0.00 H new ATOM 182 N VAL A 15 7.884 -2.535 5.284 1.00 0.00 N ATOM 183 CA VAL A 15 9.332 -2.448 5.129 1.00 0.00 C ATOM 184 C VAL A 15 9.810 -1.004 5.227 1.00 0.00 C ATOM 185 O VAL A 15 9.086 -0.061 4.906 1.00 0.00 O ATOM 186 CB VAL A 15 9.787 -3.038 3.781 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.700 -4.556 3.805 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.957 -2.466 2.642 1.00 0.00 C ATOM 0 H VAL A 15 7.354 -1.960 4.629 1.00 0.00 H new ATOM 0 HA VAL A 15 9.773 -3.028 5.939 1.00 0.00 H new ATOM 0 HB VAL A 15 10.828 -2.761 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.025 -4.954 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.342 -4.945 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.670 -4.858 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.292 -2.894 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.906 -2.711 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.077 -1.383 2.613 1.00 0.00 H new ATOM 198 N PRO A 16 11.059 -0.824 5.681 1.00 0.00 N ATOM 199 CA PRO A 16 11.663 0.503 5.831 1.00 0.00 C ATOM 200 C PRO A 16 11.951 1.164 4.488 1.00 0.00 C ATOM 201 O PRO A 16 12.089 0.487 3.469 1.00 0.00 O ATOM 202 CB PRO A 16 12.969 0.216 6.577 1.00 0.00 C ATOM 203 CG PRO A 16 13.297 -1.197 6.236 1.00 0.00 C ATOM 204 CD PRO A 16 11.978 -1.903 6.082 1.00 0.00 C ATOM 0 HA PRO A 16 11.002 1.195 6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.762 0.894 6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.848 0.346 7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.878 -1.251 5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.897 -1.658 7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.028 -2.689 5.328 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.663 -2.374 7.013 1.00 0.00 H new ATOM 212 N ARG A 17 12.042 2.490 4.494 1.00 0.00 N ATOM 213 CA ARG A 17 12.313 3.243 3.275 1.00 0.00 C ATOM 214 C ARG A 17 13.670 2.860 2.690 1.00 0.00 C ATOM 215 O ARG A 17 13.960 3.147 1.529 1.00 0.00 O ATOM 216 CB ARG A 17 12.274 4.745 3.559 1.00 0.00 C ATOM 217 CG ARG A 17 10.869 5.295 3.740 1.00 0.00 C ATOM 218 CD ARG A 17 10.819 6.793 3.488 1.00 0.00 C ATOM 219 NE ARG A 17 10.918 7.112 2.066 1.00 0.00 N ATOM 220 CZ ARG A 17 10.483 8.250 1.537 1.00 0.00 C ATOM 221 NH1 ARG A 17 9.923 9.172 2.307 1.00 0.00 N ATOM 222 NH2 ARG A 17 10.609 8.468 0.234 1.00 0.00 N ATOM 0 H ARG A 17 11.932 3.065 5.329 1.00 0.00 H new ATOM 0 HA ARG A 17 11.540 2.998 2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.854 4.951 4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.759 5.274 2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.188 4.787 3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.522 5.084 4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.888 7.197 3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.633 7.279 4.026 1.00 0.00 H new ATOM 0 HE ARG A 17 11.344 6.424 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.825 9.009 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.590 10.045 1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.040 7.761 -0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.275 9.342 -0.172 1.00 0.00 H new ATOM 236 N ASN A 18 14.497 2.210 3.502 1.00 0.00 N ATOM 237 CA ASN A 18 15.823 1.788 3.066 1.00 0.00 C ATOM 238 C ASN A 18 15.890 0.271 2.918 1.00 0.00 C ATOM 239 O ASN A 18 16.928 -0.341 3.166 1.00 0.00 O ATOM 240 CB ASN A 18 16.885 2.263 4.060 1.00 0.00 C ATOM 241 CG ASN A 18 16.840 1.491 5.365 1.00 0.00 C ATOM 242 OD1 ASN A 18 17.483 0.451 5.506 1.00 0.00 O ATOM 243 ND2 ASN A 18 16.079 2.000 6.327 1.00 0.00 N ATOM 0 H ASN A 18 14.272 1.964 4.466 1.00 0.00 H new ATOM 0 HA ASN A 18 16.019 2.239 2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.873 2.156 3.611 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.740 3.324 4.263 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.010 1.526 7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 18 15.563 2.865 6.165 1.00 0.00 H new ATOM 250 N ALA A 19 14.776 -0.328 2.511 1.00 0.00 N ATOM 251 CA ALA A 19 14.709 -1.773 2.327 1.00 0.00 C ATOM 252 C ALA A 19 15.456 -2.201 1.068 1.00 0.00 C ATOM 253 O ALA A 19 15.859 -1.365 0.260 1.00 0.00 O ATOM 254 CB ALA A 19 13.259 -2.230 2.265 1.00 0.00 C ATOM 0 H ALA A 19 13.908 0.165 2.302 1.00 0.00 H new ATOM 0 HA ALA A 19 15.191 -2.247 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.224 -3.311 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.754 -1.966 3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.759 -1.741 1.429 1.00 0.00 H new ATOM 260 N SER A 20 15.636 -3.508 0.909 1.00 0.00 N ATOM 261 CA SER A 20 16.339 -4.047 -0.250 1.00 0.00 C ATOM 262 C SER A 20 15.421 -4.950 -1.070 1.00 0.00 C ATOM 263 O SER A 20 14.330 -5.308 -0.628 1.00 0.00 O ATOM 264 CB SER A 20 17.576 -4.828 0.195 1.00 0.00 C ATOM 265 OG SER A 20 18.083 -5.626 -0.861 1.00 0.00 O ATOM 0 H SER A 20 15.305 -4.213 1.567 1.00 0.00 H new ATOM 0 HA SER A 20 16.652 -3.211 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.346 -4.134 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.323 -5.462 1.045 1.00 0.00 H new ATOM 0 HG SER A 20 18.875 -6.114 -0.551 1.00 0.00 H new ATOM 271 N GLN A 21 15.874 -5.313 -2.266 1.00 0.00 N ATOM 272 CA GLN A 21 15.094 -6.173 -3.148 1.00 0.00 C ATOM 273 C GLN A 21 14.776 -7.502 -2.471 1.00 0.00 C ATOM 274 O GLN A 21 13.755 -8.128 -2.756 1.00 0.00 O ATOM 275 CB GLN A 21 15.851 -6.420 -4.454 1.00 0.00 C ATOM 276 CG GLN A 21 15.800 -5.247 -5.418 1.00 0.00 C ATOM 277 CD GLN A 21 14.384 -4.875 -5.810 1.00 0.00 C ATOM 278 OE1 GLN A 21 13.692 -5.641 -6.482 1.00 0.00 O ATOM 279 NE2 GLN A 21 13.944 -3.694 -5.392 1.00 0.00 N ATOM 0 H GLN A 21 16.776 -5.025 -2.646 1.00 0.00 H new ATOM 0 HA GLN A 21 14.155 -5.666 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.892 -6.645 -4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.435 -7.301 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.285 -4.384 -4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.368 -5.494 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.551 -3.091 -4.837 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.999 -3.390 -5.626 1.00 0.00 H new ATOM 288 N LYS A 22 15.657 -7.928 -1.572 1.00 0.00 N ATOM 289 CA LYS A 22 15.471 -9.183 -0.852 1.00 0.00 C ATOM 290 C LYS A 22 14.372 -9.050 0.197 1.00 0.00 C ATOM 291 O LYS A 22 13.437 -9.848 0.233 1.00 0.00 O ATOM 292 CB LYS A 22 16.780 -9.610 -0.185 1.00 0.00 C ATOM 293 CG LYS A 22 16.824 -11.085 0.178 1.00 0.00 C ATOM 294 CD LYS A 22 16.207 -11.342 1.543 1.00 0.00 C ATOM 295 CE LYS A 22 16.519 -12.744 2.040 1.00 0.00 C ATOM 296 NZ LYS A 22 17.839 -12.809 2.726 1.00 0.00 N ATOM 0 H LYS A 22 16.508 -7.422 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 22 15.172 -9.946 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.610 -9.384 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.928 -9.017 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.292 -11.663 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.858 -11.431 0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.583 -10.610 2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.127 -11.207 1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.737 -13.068 2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.512 -13.437 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.014 -13.782 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.589 -12.524 2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.837 -12.167 3.544 1.00 0.00 H new ATOM 310 N GLU A 23 14.493 -8.036 1.049 1.00 0.00 N ATOM 311 CA GLU A 23 13.509 -7.800 2.099 1.00 0.00 C ATOM 312 C GLU A 23 12.121 -7.578 1.504 1.00 0.00 C ATOM 313 O GLU A 23 11.120 -8.046 2.046 1.00 0.00 O ATOM 314 CB GLU A 23 13.913 -6.591 2.944 1.00 0.00 C ATOM 315 CG GLU A 23 14.958 -6.908 4.001 1.00 0.00 C ATOM 316 CD GLU A 23 15.493 -5.665 4.684 1.00 0.00 C ATOM 317 OE1 GLU A 23 16.138 -4.843 4.001 1.00 0.00 O ATOM 318 OE2 GLU A 23 15.266 -5.515 5.903 1.00 0.00 O ATOM 0 H GLU A 23 15.262 -7.366 1.032 1.00 0.00 H new ATOM 0 HA GLU A 23 13.475 -8.684 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.298 -5.812 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.026 -6.187 3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.523 -7.570 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.784 -7.448 3.539 1.00 0.00 H new ATOM 325 N ILE A 24 12.071 -6.861 0.386 1.00 0.00 N ATOM 326 CA ILE A 24 10.808 -6.577 -0.283 1.00 0.00 C ATOM 327 C ILE A 24 10.180 -7.852 -0.836 1.00 0.00 C ATOM 328 O ILE A 24 8.960 -8.014 -0.822 1.00 0.00 O ATOM 329 CB ILE A 24 10.993 -5.569 -1.432 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.282 -4.173 -0.873 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.758 -5.545 -2.320 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.138 -3.323 -1.785 1.00 0.00 C ATOM 0 H ILE A 24 12.891 -6.466 -0.075 1.00 0.00 H new ATOM 0 HA ILE A 24 10.145 -6.143 0.466 1.00 0.00 H new ATOM 0 HB ILE A 24 11.845 -5.881 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.337 -3.660 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.780 -4.272 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.904 -4.828 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.593 -6.537 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.890 -5.253 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.302 -2.348 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.097 -3.815 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.632 -3.193 -2.742 1.00 0.00 H new ATOM 344 N LYS A 25 11.023 -8.756 -1.323 1.00 0.00 N ATOM 345 CA LYS A 25 10.553 -10.020 -1.879 1.00 0.00 C ATOM 346 C LYS A 25 10.000 -10.924 -0.783 1.00 0.00 C ATOM 347 O LYS A 25 8.986 -11.598 -0.972 1.00 0.00 O ATOM 348 CB LYS A 25 11.690 -10.731 -2.616 1.00 0.00 C ATOM 349 CG LYS A 25 11.234 -11.935 -3.421 1.00 0.00 C ATOM 350 CD LYS A 25 12.346 -12.959 -3.571 1.00 0.00 C ATOM 351 CE LYS A 25 11.790 -14.357 -3.796 1.00 0.00 C ATOM 352 NZ LYS A 25 12.834 -15.297 -4.289 1.00 0.00 N ATOM 0 H LYS A 25 12.036 -8.637 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 25 9.751 -9.802 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.178 -10.022 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.437 -11.052 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.376 -12.397 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.902 -11.610 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.987 -12.682 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.970 -12.954 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.372 -14.736 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.973 -14.311 -4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.415 -16.238 -4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.216 -14.949 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.602 -15.361 -3.590 1.00 0.00 H new ATOM 366 N LYS A 26 10.671 -10.935 0.364 1.00 0.00 N ATOM 367 CA LYS A 26 10.245 -11.754 1.492 1.00 0.00 C ATOM 368 C LYS A 26 9.030 -11.142 2.182 1.00 0.00 C ATOM 369 O LYS A 26 8.080 -11.845 2.526 1.00 0.00 O ATOM 370 CB LYS A 26 11.390 -11.910 2.496 1.00 0.00 C ATOM 371 CG LYS A 26 10.967 -12.555 3.805 1.00 0.00 C ATOM 372 CD LYS A 26 11.812 -12.061 4.968 1.00 0.00 C ATOM 373 CE LYS A 26 11.021 -12.052 6.267 1.00 0.00 C ATOM 374 NZ LYS A 26 11.903 -12.221 7.455 1.00 0.00 N ATOM 0 H LYS A 26 11.513 -10.385 0.537 1.00 0.00 H new ATOM 0 HA LYS A 26 9.967 -12.736 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.180 -12.510 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.815 -10.928 2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.917 -12.335 3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.056 -13.638 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.689 -12.699 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.175 -11.055 4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.473 -11.114 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.281 -12.852 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.326 -12.209 8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.407 -13.128 7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.593 -11.443 7.489 1.00 0.00 H new ATOM 388 N ALA A 27 9.066 -9.829 2.379 1.00 0.00 N ATOM 389 CA ALA A 27 7.967 -9.122 3.024 1.00 0.00 C ATOM 390 C ALA A 27 6.696 -9.200 2.184 1.00 0.00 C ATOM 391 O ALA A 27 5.591 -9.286 2.719 1.00 0.00 O ATOM 392 CB ALA A 27 8.347 -7.671 3.276 1.00 0.00 C ATOM 0 H ALA A 27 9.845 -9.233 2.101 1.00 0.00 H new ATOM 0 HA ALA A 27 7.769 -9.605 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.516 -7.156 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.223 -7.631 3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.574 -7.184 2.327 1.00 0.00 H new ATOM 398 N TYR A 28 6.862 -9.168 0.866 1.00 0.00 N ATOM 399 CA TYR A 28 5.728 -9.232 -0.048 1.00 0.00 C ATOM 400 C TYR A 28 4.997 -10.565 0.083 1.00 0.00 C ATOM 401 O TYR A 28 3.850 -10.617 0.528 1.00 0.00 O ATOM 402 CB TYR A 28 6.196 -9.034 -1.490 1.00 0.00 C ATOM 403 CG TYR A 28 5.164 -9.429 -2.522 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.901 -8.851 -2.527 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.453 -10.380 -3.493 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.955 -9.210 -3.467 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.514 -10.744 -4.438 1.00 0.00 C ATOM 408 CZ TYR A 28 3.266 -10.156 -4.421 1.00 0.00 C ATOM 409 OH TYR A 28 2.327 -10.516 -5.361 1.00 0.00 O ATOM 0 H TYR A 28 7.770 -9.098 0.407 1.00 0.00 H new ATOM 0 HA TYR A 28 5.037 -8.432 0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.461 -7.987 -1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.102 -9.618 -1.652 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.654 -8.108 -1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.429 -10.843 -3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.977 -8.752 -3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.755 -11.485 -5.186 1.00 0.00 H new ATOM 0 HH TYR A 28 2.706 -11.193 -5.960 1.00 0.00 H new ATOM 419 N TYR A 29 5.670 -11.642 -0.308 1.00 0.00 N ATOM 420 CA TYR A 29 5.086 -12.976 -0.237 1.00 0.00 C ATOM 421 C TYR A 29 4.452 -13.221 1.129 1.00 0.00 C ATOM 422 O TYR A 29 3.424 -13.889 1.237 1.00 0.00 O ATOM 423 CB TYR A 29 6.151 -14.037 -0.516 1.00 0.00 C ATOM 424 CG TYR A 29 6.279 -14.397 -1.979 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.238 -15.024 -2.654 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.439 -14.111 -2.687 1.00 0.00 C ATOM 427 CE1 TYR A 29 5.350 -15.356 -3.990 1.00 0.00 C ATOM 428 CE2 TYR A 29 7.560 -14.437 -4.023 1.00 0.00 C ATOM 429 CZ TYR A 29 6.513 -15.059 -4.671 1.00 0.00 C ATOM 430 OH TYR A 29 6.630 -15.387 -6.002 1.00 0.00 O ATOM 0 H TYR A 29 6.620 -11.617 -0.677 1.00 0.00 H new ATOM 0 HA TYR A 29 4.307 -13.045 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.114 -13.677 -0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.913 -14.937 0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.326 -15.256 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.261 -13.625 -2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.532 -15.845 -4.499 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.469 -14.206 -4.558 1.00 0.00 H new ATOM 0 HH TYR A 29 7.510 -15.108 -6.331 1.00 0.00 H new ATOM 440 N GLN A 30 5.075 -12.675 2.169 1.00 0.00 N ATOM 441 CA GLN A 30 4.573 -12.835 3.529 1.00 0.00 C ATOM 442 C GLN A 30 3.153 -12.291 3.652 1.00 0.00 C ATOM 443 O GLN A 30 2.236 -13.006 4.055 1.00 0.00 O ATOM 444 CB GLN A 30 5.493 -12.122 4.521 1.00 0.00 C ATOM 445 CG GLN A 30 6.711 -12.941 4.917 1.00 0.00 C ATOM 446 CD GLN A 30 6.449 -13.837 6.112 1.00 0.00 C ATOM 447 OE1 GLN A 30 5.565 -14.693 6.078 1.00 0.00 O ATOM 448 NE2 GLN A 30 7.218 -13.644 7.177 1.00 0.00 N ATOM 0 H GLN A 30 5.927 -12.119 2.096 1.00 0.00 H new ATOM 0 HA GLN A 30 4.556 -13.900 3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.825 -11.180 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.925 -11.874 5.418 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.023 -13.553 4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.537 -12.268 5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.939 -12.923 7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.088 -14.217 8.011 1.00 0.00 H new ATOM 457 N LEU A 31 2.980 -11.021 3.304 1.00 0.00 N ATOM 458 CA LEU A 31 1.671 -10.379 3.376 1.00 0.00 C ATOM 459 C LEU A 31 0.707 -10.994 2.365 1.00 0.00 C ATOM 460 O LEU A 31 -0.452 -11.258 2.680 1.00 0.00 O ATOM 461 CB LEU A 31 1.803 -8.877 3.123 1.00 0.00 C ATOM 462 CG LEU A 31 2.143 -8.019 4.343 1.00 0.00 C ATOM 463 CD1 LEU A 31 1.101 -8.205 5.434 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.531 -8.360 4.864 1.00 0.00 C ATOM 0 H LEU A 31 3.729 -10.415 2.969 1.00 0.00 H new ATOM 0 HA LEU A 31 1.270 -10.538 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.574 -8.722 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.866 -8.516 2.700 1.00 0.00 H new ATOM 0 HG LEU A 31 2.138 -6.972 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.360 -7.587 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.122 -7.910 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.073 -9.252 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.756 -7.740 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.564 -9.411 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.269 -8.173 4.084 1.00 0.00 H new ATOM 476 N ALA A 32 1.197 -11.220 1.151 1.00 0.00 N ATOM 477 CA ALA A 32 0.381 -11.807 0.096 1.00 0.00 C ATOM 478 C ALA A 32 -0.235 -13.127 0.548 1.00 0.00 C ATOM 479 O ALA A 32 -1.314 -13.508 0.094 1.00 0.00 O ATOM 480 CB ALA A 32 1.212 -12.014 -1.162 1.00 0.00 C ATOM 0 H ALA A 32 2.155 -11.006 0.874 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.431 -11.115 -0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.589 -12.453 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.599 -11.054 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.044 -12.683 -0.942 1.00 0.00 H new ATOM 486 N LYS A 33 0.458 -13.821 1.444 1.00 0.00 N ATOM 487 CA LYS A 33 -0.020 -15.099 1.959 1.00 0.00 C ATOM 488 C LYS A 33 -1.000 -14.890 3.109 1.00 0.00 C ATOM 489 O LYS A 33 -1.939 -15.666 3.288 1.00 0.00 O ATOM 490 CB LYS A 33 1.158 -15.956 2.427 1.00 0.00 C ATOM 491 CG LYS A 33 0.764 -17.046 3.410 1.00 0.00 C ATOM 492 CD LYS A 33 -0.048 -18.138 2.735 1.00 0.00 C ATOM 493 CE LYS A 33 0.848 -19.220 2.151 1.00 0.00 C ATOM 494 NZ LYS A 33 0.124 -20.510 1.986 1.00 0.00 N ATOM 0 H LYS A 33 1.353 -13.520 1.829 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.540 -15.616 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.630 -16.415 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.904 -15.311 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.661 -17.479 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.184 -16.611 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.733 -18.582 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.658 -17.703 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.231 -18.892 1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.710 -19.368 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.769 -21.221 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.219 -20.836 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.684 -20.375 1.345 1.00 0.00 H new ATOM 508 N LYS A 34 -0.776 -13.836 3.886 1.00 0.00 N ATOM 509 CA LYS A 34 -1.640 -13.522 5.018 1.00 0.00 C ATOM 510 C LYS A 34 -3.010 -13.049 4.542 1.00 0.00 C ATOM 511 O LYS A 34 -4.015 -13.236 5.229 1.00 0.00 O ATOM 512 CB LYS A 34 -0.994 -12.447 5.896 1.00 0.00 C ATOM 513 CG LYS A 34 -1.924 -11.894 6.962 1.00 0.00 C ATOM 514 CD LYS A 34 -1.504 -10.501 7.400 1.00 0.00 C ATOM 515 CE LYS A 34 -0.531 -10.553 8.568 1.00 0.00 C ATOM 516 NZ LYS A 34 -1.167 -11.105 9.796 1.00 0.00 N ATOM 0 H LYS A 34 -0.003 -13.184 3.753 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.773 -14.431 5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.111 -12.866 6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.653 -11.628 5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.943 -11.863 6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.929 -12.561 7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.041 -9.979 6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.386 -9.927 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.329 -11.166 8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.156 -9.550 8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.676 -10.739 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.167 -10.819 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.104 -12.143 9.783 1.00 0.00 H new ATOM 530 N TYR A 35 -3.043 -12.438 3.364 1.00 0.00 N ATOM 531 CA TYR A 35 -4.290 -11.938 2.797 1.00 0.00 C ATOM 532 C TYR A 35 -4.606 -12.635 1.476 1.00 0.00 C ATOM 533 O TYR A 35 -5.096 -12.012 0.534 1.00 0.00 O ATOM 534 CB TYR A 35 -4.207 -10.426 2.582 1.00 0.00 C ATOM 535 CG TYR A 35 -3.993 -9.644 3.858 1.00 0.00 C ATOM 536 CD1 TYR A 35 -5.051 -9.376 4.717 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.733 -9.172 4.204 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.861 -8.661 5.883 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.533 -8.458 5.369 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.600 -8.205 6.205 1.00 0.00 C ATOM 541 OH TYR A 35 -3.405 -7.492 7.366 1.00 0.00 O ATOM 0 H TYR A 35 -2.221 -12.277 2.782 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.093 -12.154 3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.391 -10.210 1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.126 -10.084 2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.040 -9.733 4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.895 -9.367 3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.695 -8.460 6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.547 -8.100 5.624 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.460 -7.246 7.444 1.00 0.00 H new ATOM 551 N HIS A 36 -4.322 -13.932 1.416 1.00 0.00 N ATOM 552 CA HIS A 36 -4.577 -14.715 0.212 1.00 0.00 C ATOM 553 C HIS A 36 -6.074 -14.922 0.005 1.00 0.00 C ATOM 554 O HIS A 36 -6.831 -15.144 0.950 1.00 0.00 O ATOM 555 CB HIS A 36 -3.871 -16.069 0.300 1.00 0.00 C ATOM 556 CG HIS A 36 -3.457 -16.616 -1.031 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.226 -17.507 -1.750 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.348 -16.393 -1.774 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.607 -17.809 -2.877 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.465 -17.146 -2.916 1.00 0.00 N ATOM 0 H HIS A 36 -3.915 -14.463 2.186 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.183 -14.162 -0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.989 -15.969 0.933 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.534 -16.784 0.787 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.524 -15.744 -1.517 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.972 -18.483 -3.637 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.781 -17.187 -3.672 1.00 0.00 H new ATOM 568 N PRO A 37 -6.513 -14.846 -1.260 1.00 0.00 N ATOM 569 CA PRO A 37 -7.923 -15.021 -1.621 1.00 0.00 C ATOM 570 C PRO A 37 -8.392 -16.461 -1.441 1.00 0.00 C ATOM 571 O PRO A 37 -9.475 -16.709 -0.910 1.00 0.00 O ATOM 572 CB PRO A 37 -7.963 -14.626 -3.099 1.00 0.00 C ATOM 573 CG PRO A 37 -6.580 -14.874 -3.595 1.00 0.00 C ATOM 574 CD PRO A 37 -5.666 -14.583 -2.436 1.00 0.00 C ATOM 0 HA PRO A 37 -8.583 -14.426 -0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.693 -15.221 -3.648 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.246 -13.581 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.466 -15.904 -3.933 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.349 -14.232 -4.445 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.785 -15.224 -2.448 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.311 -13.553 -2.453 1.00 0.00 H new ATOM 582 N ASP A 38 -7.572 -17.406 -1.885 1.00 0.00 N ATOM 583 CA ASP A 38 -7.903 -18.821 -1.772 1.00 0.00 C ATOM 584 C ASP A 38 -8.263 -19.182 -0.334 1.00 0.00 C ATOM 585 O ASP A 38 -8.916 -20.194 -0.081 1.00 0.00 O ATOM 586 CB ASP A 38 -6.730 -19.681 -2.248 1.00 0.00 C ATOM 587 CG ASP A 38 -7.049 -21.163 -2.218 1.00 0.00 C ATOM 588 OD1 ASP A 38 -7.818 -21.622 -3.089 1.00 0.00 O ATOM 589 OD2 ASP A 38 -6.530 -21.863 -1.325 1.00 0.00 O ATOM 0 H ASP A 38 -6.672 -17.218 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.768 -19.018 -2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.459 -19.391 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.862 -19.486 -1.619 1.00 0.00 H new ATOM 594 N THR A 39 -7.831 -18.346 0.606 1.00 0.00 N ATOM 595 CA THR A 39 -8.105 -18.578 2.019 1.00 0.00 C ATOM 596 C THR A 39 -9.045 -17.515 2.577 1.00 0.00 C ATOM 597 O THR A 39 -9.476 -17.597 3.727 1.00 0.00 O ATOM 598 CB THR A 39 -6.808 -18.587 2.849 1.00 0.00 C ATOM 599 OG1 THR A 39 -6.007 -17.447 2.518 1.00 0.00 O ATOM 600 CG2 THR A 39 -6.014 -19.860 2.599 1.00 0.00 C ATOM 0 H THR A 39 -7.290 -17.503 0.414 1.00 0.00 H new ATOM 0 HA THR A 39 -8.581 -19.556 2.093 1.00 0.00 H new ATOM 0 HB THR A 39 -7.078 -18.547 3.904 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.568 -16.767 2.090 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.102 -19.843 3.196 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.615 -20.725 2.879 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.754 -19.925 1.542 1.00 0.00 H new ATOM 608 N ASN A 40 -9.360 -16.519 1.755 1.00 0.00 N ATOM 609 CA ASN A 40 -10.250 -15.440 2.168 1.00 0.00 C ATOM 610 C ASN A 40 -11.464 -15.354 1.248 1.00 0.00 C ATOM 611 O ASN A 40 -11.513 -14.522 0.342 1.00 0.00 O ATOM 612 CB ASN A 40 -9.502 -14.106 2.170 1.00 0.00 C ATOM 613 CG ASN A 40 -8.853 -13.809 3.508 1.00 0.00 C ATOM 614 OD1 ASN A 40 -9.470 -13.213 4.391 1.00 0.00 O ATOM 615 ND2 ASN A 40 -7.600 -14.223 3.663 1.00 0.00 N ATOM 0 H ASN A 40 -9.012 -16.437 0.800 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.597 -15.656 3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.737 -14.120 1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.196 -13.303 1.920 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.111 -14.050 4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.127 -14.713 2.904 1.00 0.00 H new ATOM 622 N LYS A 41 -12.443 -16.220 1.486 1.00 0.00 N ATOM 623 CA LYS A 41 -13.659 -16.242 0.681 1.00 0.00 C ATOM 624 C LYS A 41 -14.689 -15.256 1.224 1.00 0.00 C ATOM 625 O LYS A 41 -15.191 -14.403 0.492 1.00 0.00 O ATOM 626 CB LYS A 41 -14.252 -17.653 0.654 1.00 0.00 C ATOM 627 CG LYS A 41 -13.493 -18.614 -0.244 1.00 0.00 C ATOM 628 CD LYS A 41 -14.294 -19.877 -0.511 1.00 0.00 C ATOM 629 CE LYS A 41 -14.008 -20.950 0.529 1.00 0.00 C ATOM 630 NZ LYS A 41 -14.900 -20.825 1.715 1.00 0.00 N ATOM 0 H LYS A 41 -12.418 -16.917 2.231 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.398 -15.945 -0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.267 -18.051 1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.288 -17.597 0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.260 -18.123 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.543 -18.876 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.358 -19.641 -0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.054 -20.258 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.137 -21.935 0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.968 -20.879 0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.331 -20.877 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.397 -19.912 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.596 -21.598 1.709 1.00 0.00 H new ATOM 644 N ASP A 42 -14.998 -15.379 2.510 1.00 0.00 N ATOM 645 CA ASP A 42 -15.966 -14.497 3.151 1.00 0.00 C ATOM 646 C ASP A 42 -15.332 -13.153 3.496 1.00 0.00 C ATOM 647 O ASP A 42 -15.941 -12.323 4.170 1.00 0.00 O ATOM 648 CB ASP A 42 -16.524 -15.151 4.416 1.00 0.00 C ATOM 649 CG ASP A 42 -15.466 -15.341 5.485 1.00 0.00 C ATOM 650 OD1 ASP A 42 -14.525 -16.129 5.254 1.00 0.00 O ATOM 651 OD2 ASP A 42 -15.579 -14.704 6.553 1.00 0.00 O ATOM 0 H ASP A 42 -14.592 -16.081 3.129 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.783 -14.324 2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.331 -14.536 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.956 -16.119 4.161 1.00 0.00 H new ATOM 656 N ASP A 43 -14.105 -12.947 3.030 1.00 0.00 N ATOM 657 CA ASP A 43 -13.388 -11.704 3.289 1.00 0.00 C ATOM 658 C ASP A 43 -13.293 -10.858 2.023 1.00 0.00 C ATOM 659 O ASP A 43 -12.328 -10.941 1.262 1.00 0.00 O ATOM 660 CB ASP A 43 -11.987 -12.000 3.825 1.00 0.00 C ATOM 661 CG ASP A 43 -11.987 -12.298 5.312 1.00 0.00 C ATOM 662 OD1 ASP A 43 -12.146 -11.349 6.107 1.00 0.00 O ATOM 663 OD2 ASP A 43 -11.830 -13.481 5.680 1.00 0.00 O ATOM 0 H ASP A 43 -13.586 -13.625 2.471 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.944 -11.142 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.567 -12.850 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.338 -11.147 3.628 1.00 0.00 H new ATOM 668 N PRO A 44 -14.317 -10.024 1.789 1.00 0.00 N ATOM 669 CA PRO A 44 -14.372 -9.148 0.615 1.00 0.00 C ATOM 670 C PRO A 44 -13.345 -8.023 0.683 1.00 0.00 C ATOM 671 O PRO A 44 -12.919 -7.494 -0.344 1.00 0.00 O ATOM 672 CB PRO A 44 -15.793 -8.578 0.664 1.00 0.00 C ATOM 673 CG PRO A 44 -16.180 -8.651 2.101 1.00 0.00 C ATOM 674 CD PRO A 44 -15.500 -9.873 2.652 1.00 0.00 C ATOM 0 HA PRO A 44 -14.145 -9.685 -0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.821 -7.552 0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.474 -9.157 0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.865 -7.755 2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.262 -8.724 2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.221 -9.740 3.697 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -16.147 -10.749 2.604 1.00 0.00 H new ATOM 682 N LYS A 45 -12.951 -7.661 1.899 1.00 0.00 N ATOM 683 CA LYS A 45 -11.972 -6.599 2.102 1.00 0.00 C ATOM 684 C LYS A 45 -10.577 -7.059 1.690 1.00 0.00 C ATOM 685 O LYS A 45 -9.723 -6.245 1.340 1.00 0.00 O ATOM 686 CB LYS A 45 -11.962 -6.159 3.568 1.00 0.00 C ATOM 687 CG LYS A 45 -13.071 -5.182 3.917 1.00 0.00 C ATOM 688 CD LYS A 45 -12.703 -4.325 5.115 1.00 0.00 C ATOM 689 CE LYS A 45 -13.897 -3.530 5.621 1.00 0.00 C ATOM 690 NZ LYS A 45 -13.476 -2.318 6.378 1.00 0.00 N ATOM 0 H LYS A 45 -13.295 -8.087 2.759 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.257 -5.753 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.052 -7.040 4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.000 -5.699 3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.276 -4.541 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.988 -5.732 4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.323 -4.960 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.899 -3.641 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.520 -3.233 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.510 -4.164 6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.318 -1.804 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.903 -2.602 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.912 -1.701 5.759 1.00 0.00 H new ATOM 704 N ALA A 46 -10.355 -8.369 1.731 1.00 0.00 N ATOM 705 CA ALA A 46 -9.065 -8.937 1.358 1.00 0.00 C ATOM 706 C ALA A 46 -8.789 -8.743 -0.129 1.00 0.00 C ATOM 707 O ALA A 46 -7.699 -8.325 -0.520 1.00 0.00 O ATOM 708 CB ALA A 46 -9.015 -10.415 1.717 1.00 0.00 C ATOM 0 H ALA A 46 -11.051 -9.056 2.019 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.290 -8.412 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.046 -10.826 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.159 -10.534 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.804 -10.946 1.185 1.00 0.00 H new ATOM 714 N LYS A 47 -9.783 -9.050 -0.956 1.00 0.00 N ATOM 715 CA LYS A 47 -9.649 -8.909 -2.401 1.00 0.00 C ATOM 716 C LYS A 47 -8.893 -7.632 -2.755 1.00 0.00 C ATOM 717 O LYS A 47 -7.881 -7.674 -3.453 1.00 0.00 O ATOM 718 CB LYS A 47 -11.028 -8.898 -3.063 1.00 0.00 C ATOM 719 CG LYS A 47 -10.977 -9.002 -4.578 1.00 0.00 C ATOM 720 CD LYS A 47 -12.363 -9.184 -5.172 1.00 0.00 C ATOM 721 CE LYS A 47 -13.109 -7.862 -5.263 1.00 0.00 C ATOM 722 NZ LYS A 47 -13.845 -7.552 -4.006 1.00 0.00 N ATOM 0 H LYS A 47 -10.691 -9.399 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.081 -9.762 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.617 -9.727 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.547 -7.980 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.519 -8.103 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.344 -9.842 -4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.279 -9.625 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.933 -9.883 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.402 -7.060 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.812 -7.898 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.833 -7.318 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.820 -8.379 -3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.397 -6.742 -3.532 1.00 0.00 H new ATOM 736 N GLU A 48 -9.392 -6.500 -2.268 1.00 0.00 N ATOM 737 CA GLU A 48 -8.762 -5.212 -2.534 1.00 0.00 C ATOM 738 C GLU A 48 -7.411 -5.112 -1.831 1.00 0.00 C ATOM 739 O GLU A 48 -6.485 -4.473 -2.330 1.00 0.00 O ATOM 740 CB GLU A 48 -9.673 -4.070 -2.077 1.00 0.00 C ATOM 741 CG GLU A 48 -9.513 -2.800 -2.896 1.00 0.00 C ATOM 742 CD GLU A 48 -8.392 -1.915 -2.388 1.00 0.00 C ATOM 743 OE1 GLU A 48 -8.167 -1.888 -1.160 1.00 0.00 O ATOM 744 OE2 GLU A 48 -7.738 -1.250 -3.219 1.00 0.00 O ATOM 0 H GLU A 48 -10.229 -6.449 -1.688 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.600 -5.130 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.710 -4.400 -2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.465 -3.846 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.319 -3.065 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.448 -2.241 -2.879 1.00 0.00 H new ATOM 751 N LYS A 49 -7.307 -5.747 -0.669 1.00 0.00 N ATOM 752 CA LYS A 49 -6.071 -5.732 0.104 1.00 0.00 C ATOM 753 C LYS A 49 -4.929 -6.369 -0.682 1.00 0.00 C ATOM 754 O LYS A 49 -3.812 -5.851 -0.703 1.00 0.00 O ATOM 755 CB LYS A 49 -6.265 -6.470 1.431 1.00 0.00 C ATOM 756 CG LYS A 49 -7.154 -5.729 2.415 1.00 0.00 C ATOM 757 CD LYS A 49 -6.345 -4.809 3.313 1.00 0.00 C ATOM 758 CE LYS A 49 -7.140 -4.386 4.539 1.00 0.00 C ATOM 759 NZ LYS A 49 -6.442 -3.324 5.314 1.00 0.00 N ATOM 0 H LYS A 49 -8.065 -6.279 -0.241 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.813 -4.693 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.697 -7.451 1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.291 -6.638 1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.896 -5.146 1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.700 -6.448 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.432 -5.316 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.042 -3.925 2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.120 -4.024 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.308 -5.252 5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.016 -3.064 6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.517 -3.677 5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.304 -2.488 4.711 1.00 0.00 H new ATOM 773 N PHE A 50 -5.218 -7.493 -1.328 1.00 0.00 N ATOM 774 CA PHE A 50 -4.215 -8.201 -2.117 1.00 0.00 C ATOM 775 C PHE A 50 -3.810 -7.384 -3.340 1.00 0.00 C ATOM 776 O PHE A 50 -2.627 -7.274 -3.662 1.00 0.00 O ATOM 777 CB PHE A 50 -4.750 -9.565 -2.555 1.00 0.00 C ATOM 778 CG PHE A 50 -3.684 -10.490 -3.069 1.00 0.00 C ATOM 779 CD1 PHE A 50 -2.900 -11.222 -2.191 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.466 -10.628 -4.430 1.00 0.00 C ATOM 781 CE1 PHE A 50 -1.918 -12.072 -2.661 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.485 -11.478 -4.907 1.00 0.00 C ATOM 783 CZ PHE A 50 -1.711 -12.202 -4.021 1.00 0.00 C ATOM 0 H PHE A 50 -6.138 -7.934 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.334 -8.348 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.253 -10.037 -1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.500 -9.420 -3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.059 -11.127 -1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.069 -10.065 -5.127 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.312 -12.635 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.324 -11.576 -5.970 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.946 -12.868 -4.391 1.00 0.00 H new ATOM 793 N SER A 51 -4.801 -6.813 -4.018 1.00 0.00 N ATOM 794 CA SER A 51 -4.549 -6.010 -5.209 1.00 0.00 C ATOM 795 C SER A 51 -3.476 -4.960 -4.939 1.00 0.00 C ATOM 796 O SER A 51 -2.602 -4.722 -5.772 1.00 0.00 O ATOM 797 CB SER A 51 -5.839 -5.330 -5.673 1.00 0.00 C ATOM 798 OG SER A 51 -6.878 -6.277 -5.852 1.00 0.00 O ATOM 0 H SER A 51 -5.785 -6.892 -3.763 1.00 0.00 H new ATOM 0 HA SER A 51 -4.193 -6.674 -5.997 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.145 -4.584 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.659 -4.801 -6.609 1.00 0.00 H new ATOM 0 HG SER A 51 -7.226 -6.550 -4.978 1.00 0.00 H new ATOM 804 N GLN A 52 -3.550 -4.334 -3.768 1.00 0.00 N ATOM 805 CA GLN A 52 -2.586 -3.309 -3.388 1.00 0.00 C ATOM 806 C GLN A 52 -1.202 -3.914 -3.177 1.00 0.00 C ATOM 807 O GLN A 52 -0.211 -3.430 -3.725 1.00 0.00 O ATOM 808 CB GLN A 52 -3.043 -2.596 -2.114 1.00 0.00 C ATOM 809 CG GLN A 52 -4.188 -1.622 -2.340 1.00 0.00 C ATOM 810 CD GLN A 52 -3.823 -0.504 -3.296 1.00 0.00 C ATOM 811 OE1 GLN A 52 -2.646 -0.234 -3.534 1.00 0.00 O ATOM 812 NE2 GLN A 52 -4.834 0.155 -3.851 1.00 0.00 N ATOM 0 H GLN A 52 -4.267 -4.519 -3.067 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.526 -2.584 -4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.350 -3.341 -1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.198 -2.057 -1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.049 -2.164 -2.732 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.490 -1.194 -1.384 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.795 -0.102 -3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.649 0.918 -4.502 1.00 0.00 H new ATOM 821 N LEU A 53 -1.141 -4.975 -2.379 1.00 0.00 N ATOM 822 CA LEU A 53 0.122 -5.647 -2.095 1.00 0.00 C ATOM 823 C LEU A 53 0.898 -5.913 -3.381 1.00 0.00 C ATOM 824 O LEU A 53 2.002 -5.402 -3.568 1.00 0.00 O ATOM 825 CB LEU A 53 -0.133 -6.963 -1.358 1.00 0.00 C ATOM 826 CG LEU A 53 -0.597 -6.840 0.094 1.00 0.00 C ATOM 827 CD1 LEU A 53 -1.117 -8.176 0.603 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.536 -6.336 0.976 1.00 0.00 C ATOM 0 H LEU A 53 -1.951 -5.388 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 53 0.720 -4.992 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.884 -7.527 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.785 -7.550 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.411 -6.117 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.443 -8.069 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.959 -8.497 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.323 -8.921 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.187 -6.255 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.371 -7.035 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.862 -5.357 0.625 1.00 0.00 H new ATOM 840 N ALA A 54 0.313 -6.715 -4.264 1.00 0.00 N ATOM 841 CA ALA A 54 0.948 -7.045 -5.534 1.00 0.00 C ATOM 842 C ALA A 54 1.442 -5.789 -6.244 1.00 0.00 C ATOM 843 O ALA A 54 2.595 -5.719 -6.669 1.00 0.00 O ATOM 844 CB ALA A 54 -0.020 -7.811 -6.424 1.00 0.00 C ATOM 0 H ALA A 54 -0.600 -7.148 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 54 1.812 -7.677 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.467 -8.051 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.320 -8.733 -5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.901 -7.198 -6.615 1.00 0.00 H new ATOM 850 N GLU A 55 0.562 -4.801 -6.369 1.00 0.00 N ATOM 851 CA GLU A 55 0.910 -3.548 -7.030 1.00 0.00 C ATOM 852 C GLU A 55 2.107 -2.889 -6.350 1.00 0.00 C ATOM 853 O GLU A 55 2.921 -2.234 -7.000 1.00 0.00 O ATOM 854 CB GLU A 55 -0.285 -2.593 -7.022 1.00 0.00 C ATOM 855 CG GLU A 55 -0.133 -1.421 -7.978 1.00 0.00 C ATOM 856 CD GLU A 55 0.072 -1.863 -9.414 1.00 0.00 C ATOM 857 OE1 GLU A 55 -0.865 -2.451 -9.993 1.00 0.00 O ATOM 858 OE2 GLU A 55 1.169 -1.621 -9.959 1.00 0.00 O ATOM 0 H GLU A 55 -0.396 -4.843 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 55 1.179 -3.773 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.186 -3.149 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.427 -2.211 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.021 -0.791 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.713 -0.809 -7.666 1.00 0.00 H new ATOM 865 N ALA A 56 2.206 -3.067 -5.036 1.00 0.00 N ATOM 866 CA ALA A 56 3.303 -2.492 -4.268 1.00 0.00 C ATOM 867 C ALA A 56 4.632 -3.140 -4.638 1.00 0.00 C ATOM 868 O ALA A 56 5.600 -2.453 -4.964 1.00 0.00 O ATOM 869 CB ALA A 56 3.037 -2.640 -2.777 1.00 0.00 C ATOM 0 H ALA A 56 1.540 -3.605 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 56 3.367 -1.431 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.864 -2.206 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.113 -2.123 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.943 -3.697 -2.527 1.00 0.00 H new ATOM 875 N TYR A 57 4.673 -4.467 -4.584 1.00 0.00 N ATOM 876 CA TYR A 57 5.885 -5.208 -4.911 1.00 0.00 C ATOM 877 C TYR A 57 6.299 -4.965 -6.359 1.00 0.00 C ATOM 878 O TYR A 57 7.474 -4.751 -6.651 1.00 0.00 O ATOM 879 CB TYR A 57 5.672 -6.704 -4.674 1.00 0.00 C ATOM 880 CG TYR A 57 6.809 -7.565 -5.177 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.946 -7.769 -4.406 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.745 -8.175 -6.424 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.988 -8.554 -4.863 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.781 -8.962 -6.889 1.00 0.00 C ATOM 885 CZ TYR A 57 8.900 -9.148 -6.104 1.00 0.00 C ATOM 886 OH TYR A 57 9.934 -9.932 -6.562 1.00 0.00 O ATOM 0 H TYR A 57 3.881 -5.051 -4.317 1.00 0.00 H new ATOM 0 HA TYR A 57 6.684 -4.853 -4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.540 -6.879 -3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.749 -7.013 -5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.017 -7.306 -3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.870 -8.031 -7.041 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.866 -8.701 -4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.715 -9.429 -7.861 1.00 0.00 H new ATOM 0 HH TYR A 57 9.714 -10.277 -7.453 1.00 0.00 H new ATOM 896 N GLU A 58 5.322 -4.999 -7.260 1.00 0.00 N ATOM 897 CA GLU A 58 5.585 -4.783 -8.678 1.00 0.00 C ATOM 898 C GLU A 58 6.382 -3.500 -8.894 1.00 0.00 C ATOM 899 O GLU A 58 7.376 -3.488 -9.621 1.00 0.00 O ATOM 900 CB GLU A 58 4.270 -4.717 -9.459 1.00 0.00 C ATOM 901 CG GLU A 58 4.460 -4.565 -10.959 1.00 0.00 C ATOM 902 CD GLU A 58 4.722 -5.889 -11.650 1.00 0.00 C ATOM 903 OE1 GLU A 58 3.784 -6.711 -11.732 1.00 0.00 O ATOM 904 OE2 GLU A 58 5.863 -6.104 -12.108 1.00 0.00 O ATOM 0 H GLU A 58 4.343 -5.174 -7.034 1.00 0.00 H new ATOM 0 HA GLU A 58 6.175 -5.623 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.696 -5.623 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.679 -3.879 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.571 -4.104 -11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.293 -3.889 -11.149 1.00 0.00 H new ATOM 911 N VAL A 59 5.939 -2.420 -8.258 1.00 0.00 N ATOM 912 CA VAL A 59 6.611 -1.132 -8.379 1.00 0.00 C ATOM 913 C VAL A 59 7.986 -1.165 -7.722 1.00 0.00 C ATOM 914 O VAL A 59 8.998 -0.871 -8.360 1.00 0.00 O ATOM 915 CB VAL A 59 5.778 -0.003 -7.744 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.560 1.302 -7.743 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.455 0.159 -8.476 1.00 0.00 C ATOM 0 H VAL A 59 5.117 -2.412 -7.654 1.00 0.00 H new ATOM 0 HA VAL A 59 6.726 -0.934 -9.445 1.00 0.00 H new ATOM 0 HB VAL A 59 5.564 -0.271 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.955 2.088 -7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.478 1.175 -7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.807 1.579 -8.768 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.879 0.961 -8.014 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.645 0.404 -9.521 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.891 -0.772 -8.419 1.00 0.00 H new ATOM 927 N LEU A 60 8.017 -1.526 -6.444 1.00 0.00 N ATOM 928 CA LEU A 60 9.269 -1.599 -5.699 1.00 0.00 C ATOM 929 C LEU A 60 10.259 -2.533 -6.388 1.00 0.00 C ATOM 930 O LEU A 60 11.297 -2.097 -6.886 1.00 0.00 O ATOM 931 CB LEU A 60 9.008 -2.077 -4.270 1.00 0.00 C ATOM 932 CG LEU A 60 8.012 -1.250 -3.457 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.596 -1.999 -2.200 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.609 0.104 -3.099 1.00 0.00 C ATOM 0 H LEU A 60 7.189 -1.773 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 60 9.703 -0.600 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.647 -3.105 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.957 -2.094 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 60 7.124 -1.084 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.887 -1.395 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.128 -2.943 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.475 -2.196 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.886 0.679 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.513 -0.042 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.856 0.646 -4.012 1.00 0.00 H new ATOM 946 N SER A 61 9.929 -3.820 -6.414 1.00 0.00 N ATOM 947 CA SER A 61 10.789 -4.817 -7.041 1.00 0.00 C ATOM 948 C SER A 61 11.431 -4.262 -8.309 1.00 0.00 C ATOM 949 O SER A 61 12.599 -4.526 -8.594 1.00 0.00 O ATOM 950 CB SER A 61 9.988 -6.078 -7.371 1.00 0.00 C ATOM 951 OG SER A 61 9.143 -5.867 -8.490 1.00 0.00 O ATOM 0 H SER A 61 9.072 -4.197 -6.008 1.00 0.00 H new ATOM 0 HA SER A 61 11.580 -5.072 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.670 -6.903 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.389 -6.368 -6.508 1.00 0.00 H new ATOM 0 HG SER A 61 8.326 -5.409 -8.201 1.00 0.00 H new ATOM 957 N ASP A 62 10.658 -3.490 -9.065 1.00 0.00 N ATOM 958 CA ASP A 62 11.150 -2.895 -10.303 1.00 0.00 C ATOM 959 C ASP A 62 12.019 -1.676 -10.012 1.00 0.00 C ATOM 960 O ASP A 62 11.532 -0.659 -9.519 1.00 0.00 O ATOM 961 CB ASP A 62 9.979 -2.499 -11.204 1.00 0.00 C ATOM 962 CG ASP A 62 9.603 -3.597 -12.180 1.00 0.00 C ATOM 963 OD1 ASP A 62 10.381 -3.840 -13.126 1.00 0.00 O ATOM 964 OD2 ASP A 62 8.531 -4.211 -11.999 1.00 0.00 O ATOM 0 H ASP A 62 9.689 -3.262 -8.843 1.00 0.00 H new ATOM 0 HA ASP A 62 11.759 -3.638 -10.818 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.115 -2.255 -10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.239 -1.597 -11.758 1.00 0.00 H new ATOM 969 N GLU A 63 13.307 -1.786 -10.319 1.00 0.00 N ATOM 970 CA GLU A 63 14.244 -0.693 -10.088 1.00 0.00 C ATOM 971 C GLU A 63 13.781 0.578 -10.794 1.00 0.00 C ATOM 972 O GLU A 63 13.997 1.687 -10.306 1.00 0.00 O ATOM 973 CB GLU A 63 15.643 -1.078 -10.574 1.00 0.00 C ATOM 974 CG GLU A 63 15.696 -1.443 -12.048 1.00 0.00 C ATOM 975 CD GLU A 63 16.982 -2.151 -12.427 1.00 0.00 C ATOM 976 OE1 GLU A 63 18.064 -1.559 -12.232 1.00 0.00 O ATOM 977 OE2 GLU A 63 16.907 -3.296 -12.919 1.00 0.00 O ATOM 0 H GLU A 63 13.726 -2.621 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 63 14.280 -0.501 -9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.324 -0.247 -10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.003 -1.922 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.848 -2.083 -12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.594 -0.538 -12.647 1.00 0.00 H new ATOM 984 N VAL A 64 13.142 0.408 -11.948 1.00 0.00 N ATOM 985 CA VAL A 64 12.648 1.540 -12.722 1.00 0.00 C ATOM 986 C VAL A 64 11.408 2.148 -12.076 1.00 0.00 C ATOM 987 O VAL A 64 11.404 3.318 -11.692 1.00 0.00 O ATOM 988 CB VAL A 64 12.310 1.127 -14.167 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.671 2.286 -14.918 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.558 0.638 -14.886 1.00 0.00 C ATOM 0 H VAL A 64 12.955 -0.503 -12.367 1.00 0.00 H new ATOM 0 HA VAL A 64 13.446 2.283 -12.741 1.00 0.00 H new ATOM 0 HB VAL A 64 11.592 0.307 -14.134 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.439 1.976 -15.937 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.753 2.585 -14.412 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.362 3.128 -14.944 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.301 0.350 -15.906 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.300 1.436 -14.910 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.968 -0.223 -14.358 1.00 0.00 H new ATOM 1000 N LYS A 65 10.355 1.346 -11.958 1.00 0.00 N ATOM 1001 CA LYS A 65 9.108 1.803 -11.357 1.00 0.00 C ATOM 1002 C LYS A 65 9.367 2.478 -10.013 1.00 0.00 C ATOM 1003 O LYS A 65 8.814 3.539 -9.724 1.00 0.00 O ATOM 1004 CB LYS A 65 8.146 0.628 -11.172 1.00 0.00 C ATOM 1005 CG LYS A 65 7.730 -0.029 -12.477 1.00 0.00 C ATOM 1006 CD LYS A 65 6.505 -0.909 -12.293 1.00 0.00 C ATOM 1007 CE LYS A 65 5.227 -0.085 -12.264 1.00 0.00 C ATOM 1008 NZ LYS A 65 4.051 -0.901 -11.851 1.00 0.00 N ATOM 0 H LYS A 65 10.341 0.375 -12.271 1.00 0.00 H new ATOM 0 HA LYS A 65 8.656 2.532 -12.029 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.617 -0.119 -10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.255 0.978 -10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.519 0.739 -13.221 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.555 -0.628 -12.863 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.452 -1.636 -13.104 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.597 -1.473 -11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.349 0.751 -11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.046 0.340 -13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.200 -0.304 -11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.919 -1.684 -12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.213 -1.285 -10.898 1.00 0.00 H new ATOM 1022 N ARG A 66 10.212 1.856 -9.197 1.00 0.00 N ATOM 1023 CA ARG A 66 10.544 2.397 -7.885 1.00 0.00 C ATOM 1024 C ARG A 66 11.109 3.809 -8.006 1.00 0.00 C ATOM 1025 O ARG A 66 10.595 4.750 -7.399 1.00 0.00 O ATOM 1026 CB ARG A 66 11.553 1.491 -7.177 1.00 0.00 C ATOM 1027 CG ARG A 66 11.588 1.680 -5.669 1.00 0.00 C ATOM 1028 CD ARG A 66 12.597 0.749 -5.014 1.00 0.00 C ATOM 1029 NE ARG A 66 12.843 1.103 -3.619 1.00 0.00 N ATOM 1030 CZ ARG A 66 13.629 2.106 -3.243 1.00 0.00 C ATOM 1031 NH1 ARG A 66 14.242 2.850 -4.153 1.00 0.00 N ATOM 1032 NH2 ARG A 66 13.804 2.366 -1.953 1.00 0.00 N ATOM 0 H ARG A 66 10.679 0.977 -9.422 1.00 0.00 H new ATOM 0 HA ARG A 66 9.628 2.440 -7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.313 0.451 -7.399 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.547 1.682 -7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.841 2.714 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.597 1.494 -5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.233 -0.277 -5.069 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.535 0.784 -5.568 1.00 0.00 H new ATOM 0 HE ARG A 66 12.387 0.550 -2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.111 2.653 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.845 3.619 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.335 1.796 -1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.408 3.136 -1.665 1.00 0.00 H new ATOM 1046 N LYS A 67 12.170 3.951 -8.793 1.00 0.00 N ATOM 1047 CA LYS A 67 12.806 5.248 -8.995 1.00 0.00 C ATOM 1048 C LYS A 67 11.760 6.341 -9.192 1.00 0.00 C ATOM 1049 O LYS A 67 11.878 7.431 -8.632 1.00 0.00 O ATOM 1050 CB LYS A 67 13.740 5.197 -10.206 1.00 0.00 C ATOM 1051 CG LYS A 67 15.126 4.666 -9.883 1.00 0.00 C ATOM 1052 CD LYS A 67 16.131 5.040 -10.959 1.00 0.00 C ATOM 1053 CE LYS A 67 17.241 4.006 -11.069 1.00 0.00 C ATOM 1054 NZ LYS A 67 18.046 3.921 -9.820 1.00 0.00 N ATOM 0 H LYS A 67 12.608 3.183 -9.302 1.00 0.00 H new ATOM 0 HA LYS A 67 13.388 5.483 -8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.290 4.570 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.832 6.199 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.454 5.064 -8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.087 3.581 -9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.621 5.132 -11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.562 6.015 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.808 3.030 -11.289 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.893 4.261 -11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.833 3.255 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.425 4.861 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.444 3.587 -9.041 1.00 0.00 H new ATOM 1068 N GLN A 68 10.739 6.041 -9.988 1.00 0.00 N ATOM 1069 CA GLN A 68 9.674 7.000 -10.256 1.00 0.00 C ATOM 1070 C GLN A 68 8.747 7.135 -9.052 1.00 0.00 C ATOM 1071 O GLN A 68 8.225 8.215 -8.776 1.00 0.00 O ATOM 1072 CB GLN A 68 8.872 6.571 -11.486 1.00 0.00 C ATOM 1073 CG GLN A 68 9.695 6.526 -12.764 1.00 0.00 C ATOM 1074 CD GLN A 68 8.834 6.484 -14.011 1.00 0.00 C ATOM 1075 OE1 GLN A 68 8.515 7.521 -14.594 1.00 0.00 O ATOM 1076 NE2 GLN A 68 8.454 5.282 -14.429 1.00 0.00 N ATOM 0 H GLN A 68 10.627 5.143 -10.458 1.00 0.00 H new ATOM 0 HA GLN A 68 10.132 7.970 -10.449 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.444 5.585 -11.305 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.039 7.260 -11.624 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.344 7.401 -12.805 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.342 5.649 -12.744 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.741 4.449 -13.915 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.875 5.192 -15.264 1.00 0.00 H new ATOM 1085 N TYR A 69 8.547 6.032 -8.340 1.00 0.00 N ATOM 1086 CA TYR A 69 7.681 6.027 -7.167 1.00 0.00 C ATOM 1087 C TYR A 69 8.292 6.847 -6.035 1.00 0.00 C ATOM 1088 O TYR A 69 7.577 7.443 -5.229 1.00 0.00 O ATOM 1089 CB TYR A 69 7.433 4.593 -6.696 1.00 0.00 C ATOM 1090 CG TYR A 69 7.143 4.483 -5.216 1.00 0.00 C ATOM 1091 CD1 TYR A 69 6.189 5.292 -4.613 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.823 3.568 -4.421 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.922 5.196 -3.261 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.562 3.463 -3.069 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.611 4.280 -2.493 1.00 0.00 C ATOM 1096 OH TYR A 69 6.346 4.179 -1.147 1.00 0.00 O ATOM 0 H TYR A 69 8.973 5.130 -8.554 1.00 0.00 H new ATOM 0 HA TYR A 69 6.730 6.480 -7.447 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.594 4.176 -7.254 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.307 3.986 -6.933 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.646 6.009 -5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.569 2.928 -4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.178 5.834 -2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.099 2.746 -2.466 1.00 0.00 H new ATOM 0 HH TYR A 69 7.182 4.025 -0.660 1.00 0.00 H new ATOM 1106 N ASP A 70 9.619 6.874 -5.982 1.00 0.00 N ATOM 1107 CA ASP A 70 10.328 7.622 -4.951 1.00 0.00 C ATOM 1108 C ASP A 70 10.248 9.122 -5.216 1.00 0.00 C ATOM 1109 O ASP A 70 10.240 9.927 -4.285 1.00 0.00 O ATOM 1110 CB ASP A 70 11.791 7.180 -4.886 1.00 0.00 C ATOM 1111 CG ASP A 70 12.515 7.752 -3.682 1.00 0.00 C ATOM 1112 OD1 ASP A 70 12.198 7.338 -2.548 1.00 0.00 O ATOM 1113 OD2 ASP A 70 13.398 8.614 -3.875 1.00 0.00 O ATOM 0 H ASP A 70 10.225 6.386 -6.641 1.00 0.00 H new ATOM 0 HA ASP A 70 9.851 7.415 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.838 6.092 -4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.303 7.492 -5.796 1.00 0.00 H new ATOM 1118 N ALA A 71 10.190 9.490 -6.491 1.00 0.00 N ATOM 1119 CA ALA A 71 10.109 10.893 -6.878 1.00 0.00 C ATOM 1120 C ALA A 71 8.777 11.504 -6.456 1.00 0.00 C ATOM 1121 O ALA A 71 8.725 12.643 -5.992 1.00 0.00 O ATOM 1122 CB ALA A 71 10.306 11.038 -8.380 1.00 0.00 C ATOM 0 H ALA A 71 10.198 8.836 -7.274 1.00 0.00 H new ATOM 0 HA ALA A 71 10.905 11.432 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.243 12.091 -8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.285 10.648 -8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.531 10.479 -8.904 1.00 0.00 H new ATOM 1128 N TYR A 72 7.703 10.740 -6.619 1.00 0.00 N ATOM 1129 CA TYR A 72 6.370 11.207 -6.257 1.00 0.00 C ATOM 1130 C TYR A 72 6.120 11.036 -4.762 1.00 0.00 C ATOM 1131 O TYR A 72 5.261 11.700 -4.185 1.00 0.00 O ATOM 1132 CB TYR A 72 5.307 10.449 -7.054 1.00 0.00 C ATOM 1133 CG TYR A 72 5.286 10.802 -8.524 1.00 0.00 C ATOM 1134 CD1 TYR A 72 6.436 10.711 -9.297 1.00 0.00 C ATOM 1135 CD2 TYR A 72 4.115 11.228 -9.139 1.00 0.00 C ATOM 1136 CE1 TYR A 72 6.422 11.033 -10.641 1.00 0.00 C ATOM 1137 CE2 TYR A 72 4.090 11.551 -10.482 1.00 0.00 C ATOM 1138 CZ TYR A 72 5.246 11.452 -11.229 1.00 0.00 C ATOM 1139 OH TYR A 72 5.226 11.774 -12.566 1.00 0.00 O ATOM 0 H TYR A 72 7.729 9.794 -7.000 1.00 0.00 H new ATOM 0 HA TYR A 72 6.307 12.268 -6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.481 9.378 -6.949 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.327 10.657 -6.625 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.358 10.383 -8.840 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.209 11.308 -8.557 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.326 10.957 -11.227 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.171 11.879 -10.945 1.00 0.00 H new ATOM 0 HH TYR A 72 4.321 12.049 -12.823 1.00 0.00 H new ATOM 1149 N GLY A 73 6.880 10.139 -4.141 1.00 0.00 N ATOM 1150 CA GLY A 73 6.726 9.895 -2.718 1.00 0.00 C ATOM 1151 C GLY A 73 7.393 10.962 -1.872 1.00 0.00 C ATOM 1152 O GLY A 73 8.069 10.653 -0.891 1.00 0.00 O ATOM 0 H GLY A 73 7.599 9.577 -4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.665 9.852 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.150 8.922 -2.471 1.00 0.00 H new ATOM 1156 N SER A 74 7.204 12.221 -2.254 1.00 0.00 N ATOM 1157 CA SER A 74 7.797 13.337 -1.526 1.00 0.00 C ATOM 1158 C SER A 74 6.772 14.444 -1.300 1.00 0.00 C ATOM 1159 O SER A 74 5.914 14.694 -2.146 1.00 0.00 O ATOM 1160 CB SER A 74 9.001 13.890 -2.292 1.00 0.00 C ATOM 1161 OG SER A 74 8.596 14.513 -3.499 1.00 0.00 O ATOM 0 H SER A 74 6.645 12.494 -3.063 1.00 0.00 H new ATOM 0 HA SER A 74 8.130 12.970 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.533 14.609 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.698 13.082 -2.513 1.00 0.00 H new ATOM 0 HG SER A 74 8.648 13.867 -4.234 1.00 0.00 H new ATOM 1167 N GLY A 75 6.867 15.105 -0.150 1.00 0.00 N ATOM 1168 CA GLY A 75 5.943 16.177 0.169 1.00 0.00 C ATOM 1169 C GLY A 75 4.496 15.773 -0.031 1.00 0.00 C ATOM 1170 O GLY A 75 4.165 14.590 -0.116 1.00 0.00 O ATOM 0 H GLY A 75 7.568 14.917 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.091 16.485 1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.165 17.042 -0.456 1.00 0.00 H new ATOM 1174 N PRO A 76 3.604 16.772 -0.108 1.00 0.00 N ATOM 1175 CA PRO A 76 2.169 16.539 -0.298 1.00 0.00 C ATOM 1176 C PRO A 76 1.847 16.014 -1.693 1.00 0.00 C ATOM 1177 O PRO A 76 2.121 16.675 -2.694 1.00 0.00 O ATOM 1178 CB PRO A 76 1.554 17.926 -0.094 1.00 0.00 C ATOM 1179 CG PRO A 76 2.649 18.879 -0.432 1.00 0.00 C ATOM 1180 CD PRO A 76 3.927 18.205 -0.015 1.00 0.00 C ATOM 0 HA PRO A 76 1.785 15.783 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.688 18.074 -0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.214 18.061 0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.656 19.103 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.518 19.826 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.755 18.473 -0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.218 18.486 0.997 1.00 0.00 H new ATOM 1188 N SER A 77 1.264 14.821 -1.751 1.00 0.00 N ATOM 1189 CA SER A 77 0.908 14.205 -3.024 1.00 0.00 C ATOM 1190 C SER A 77 -0.033 15.106 -3.819 1.00 0.00 C ATOM 1191 O SER A 77 -1.044 15.578 -3.299 1.00 0.00 O ATOM 1192 CB SER A 77 0.252 12.843 -2.790 1.00 0.00 C ATOM 1193 OG SER A 77 0.350 12.025 -3.944 1.00 0.00 O ATOM 0 H SER A 77 1.028 14.262 -0.931 1.00 0.00 H new ATOM 0 HA SER A 77 1.823 14.065 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.730 12.346 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.797 12.981 -2.526 1.00 0.00 H new ATOM 0 HG SER A 77 -0.075 11.160 -3.769 1.00 0.00 H new ATOM 1199 N SER A 78 0.307 15.339 -5.082 1.00 0.00 N ATOM 1200 CA SER A 78 -0.504 16.186 -5.949 1.00 0.00 C ATOM 1201 C SER A 78 -0.356 15.769 -7.409 1.00 0.00 C ATOM 1202 O SER A 78 0.623 15.127 -7.787 1.00 0.00 O ATOM 1203 CB SER A 78 -0.105 17.653 -5.782 1.00 0.00 C ATOM 1204 OG SER A 78 1.071 17.948 -6.515 1.00 0.00 O ATOM 0 H SER A 78 1.139 14.953 -5.528 1.00 0.00 H new ATOM 0 HA SER A 78 -1.548 16.066 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.918 18.295 -6.120 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.056 17.871 -4.726 1.00 0.00 H new ATOM 0 HG SER A 78 1.304 18.892 -6.393 1.00 0.00 H new ATOM 1210 N GLY A 79 -1.336 16.140 -8.227 1.00 0.00 N ATOM 1211 CA GLY A 79 -1.297 15.797 -9.636 1.00 0.00 C ATOM 1212 C GLY A 79 -0.961 14.338 -9.868 1.00 0.00 C ATOM 1213 O GLY A 79 -1.850 13.486 -9.898 1.00 0.00 O ATOM 0 H GLY A 79 -2.157 16.672 -7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.263 16.020 -10.088 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.558 16.421 -10.138 1.00 0.00 H new TER 1217 GLY A 79