USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 772 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 53 GLN : amide:sc= -2.88 X(o=-2.9,f=-2.7) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 176:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 SER OG : rot 180:sc=-0.00536 USER MOD Set 2.2: A 100 TYR OH : rot -167:sc= -3.29! USER MOD Set 3.1: A 49 SER OG : rot 180:sc= 0.0106 USER MOD Set 3.2: A 51 LYS NZ :NH3+ -166:sc= 0.0112 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.7) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= -1.93 K(o=-1.9,f=-5.4!) USER MOD Single : A 32 TYR OH : rot -30:sc= -3.53! USER MOD Single : A 33 ASN : amide:sc= -8.03! C(o=-8!,f=-8.9!) USER MOD Single : A 36 SER OG : rot -177:sc= 0.676 USER MOD Single : A 37 ASN : amide:sc= -5.01! C(o=-5!,f=-12!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -3.75! USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 123:sc= -0.863 USER MOD Single : A 60 TYR OH : rot 180:sc=-0.00203 USER MOD Single : A 63 GLN : amide:sc= -6.29! C(o=-6.3!,f=-16!) USER MOD Single : A 69 THR OG1 : rot 20:sc= 0.112 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -13.5! C(o=-17!,f=-13!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -141:sc= -1.83! USER MOD Single : A 106 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.1!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 110:sc= -2.49! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 17 N PRO A 11 -8.440 9.979 14.887 1.00 0.00 N ATOM 18 CA PRO A 11 -7.469 9.205 14.060 1.00 0.00 C ATOM 19 C PRO A 11 -6.170 8.974 14.837 1.00 0.00 C ATOM 20 O PRO A 11 -5.644 9.873 15.462 1.00 0.00 O ATOM 21 CB PRO A 11 -7.234 10.119 12.865 1.00 0.00 C ATOM 22 CG PRO A 11 -7.562 11.541 13.315 1.00 0.00 C ATOM 23 CD PRO A 11 -8.434 11.442 14.571 1.00 0.00 C ATOM 0 HA PRO A 11 -7.829 8.216 13.777 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.200 10.051 12.526 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.865 9.826 12.026 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.648 12.096 13.527 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.087 12.080 12.526 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.020 12.027 15.392 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.441 11.816 14.389 1.00 0.00 H new ATOM 31 N VAL A 12 -5.647 7.778 14.804 1.00 0.00 N ATOM 32 CA VAL A 12 -4.396 7.494 15.531 1.00 0.00 C ATOM 33 C VAL A 12 -3.343 7.074 14.504 1.00 0.00 C ATOM 34 O VAL A 12 -3.607 6.222 13.686 1.00 0.00 O ATOM 35 CB VAL A 12 -4.663 6.329 16.492 1.00 0.00 C ATOM 36 CG1 VAL A 12 -3.335 5.771 16.984 1.00 0.00 C ATOM 37 CG2 VAL A 12 -5.516 6.778 17.691 1.00 0.00 C ATOM 0 H VAL A 12 -6.043 6.985 14.298 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.050 8.365 16.088 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.217 5.558 15.956 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.519 4.942 17.668 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.752 5.417 16.134 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.782 6.553 17.503 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.688 5.930 18.353 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.993 7.564 18.236 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.473 7.159 17.334 1.00 0.00 H new ATOM 47 N PRO A 13 -2.184 7.680 14.552 1.00 0.00 N ATOM 48 CA PRO A 13 -1.088 7.367 13.596 1.00 0.00 C ATOM 49 C PRO A 13 -0.354 6.100 14.019 1.00 0.00 C ATOM 50 O PRO A 13 -0.356 5.718 15.172 1.00 0.00 O ATOM 51 CB PRO A 13 -0.187 8.591 13.684 1.00 0.00 C ATOM 52 CG PRO A 13 -0.442 9.234 15.043 1.00 0.00 C ATOM 53 CD PRO A 13 -1.801 8.734 15.550 1.00 0.00 C ATOM 0 HA PRO A 13 -1.437 7.177 12.581 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.860 8.307 13.582 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.408 9.291 12.878 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.349 8.970 15.745 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.442 10.321 14.958 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.727 8.324 16.557 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.536 9.538 15.586 1.00 0.00 H new ATOM 61 N VAL A 14 0.261 5.439 13.084 1.00 0.00 N ATOM 62 CA VAL A 14 0.984 4.184 13.409 1.00 0.00 C ATOM 63 C VAL A 14 2.492 4.446 13.462 1.00 0.00 C ATOM 64 O VAL A 14 2.983 5.453 12.992 1.00 0.00 O ATOM 65 CB VAL A 14 0.666 3.139 12.333 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.733 2.044 12.318 1.00 0.00 C ATOM 67 CG2 VAL A 14 -0.695 2.507 12.630 1.00 0.00 C ATOM 0 H VAL A 14 0.294 5.716 12.103 1.00 0.00 H new ATOM 0 HA VAL A 14 0.665 3.815 14.384 1.00 0.00 H new ATOM 0 HB VAL A 14 0.649 3.631 11.360 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.491 1.311 11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.706 2.487 12.105 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.764 1.552 13.290 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.925 1.763 11.867 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.668 2.027 13.608 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.464 3.280 12.627 1.00 0.00 H new ATOM 77 N ASP A 15 3.220 3.532 14.034 1.00 0.00 N ATOM 78 CA ASP A 15 4.699 3.681 14.138 1.00 0.00 C ATOM 79 C ASP A 15 5.356 2.540 13.373 1.00 0.00 C ATOM 80 O ASP A 15 4.706 1.799 12.663 1.00 0.00 O ATOM 81 CB ASP A 15 5.128 3.626 15.615 1.00 0.00 C ATOM 82 CG ASP A 15 3.918 3.843 16.530 1.00 0.00 C ATOM 83 OD1 ASP A 15 3.235 4.838 16.351 1.00 0.00 O ATOM 84 OD2 ASP A 15 3.696 3.010 17.394 1.00 0.00 O ATOM 0 H ASP A 15 2.849 2.674 14.441 1.00 0.00 H new ATOM 0 HA ASP A 15 5.005 4.639 13.718 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.588 2.662 15.831 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.881 4.389 15.810 1.00 0.00 H new ATOM 89 N GLU A 16 6.639 2.399 13.507 1.00 0.00 N ATOM 90 CA GLU A 16 7.354 1.303 12.790 1.00 0.00 C ATOM 91 C GLU A 16 7.206 -0.016 13.567 1.00 0.00 C ATOM 92 O GLU A 16 8.147 -0.772 13.706 1.00 0.00 O ATOM 93 CB GLU A 16 8.839 1.657 12.672 1.00 0.00 C ATOM 94 CG GLU A 16 9.187 1.906 11.203 1.00 0.00 C ATOM 95 CD GLU A 16 9.060 0.599 10.419 1.00 0.00 C ATOM 96 OE1 GLU A 16 9.997 -0.182 10.454 1.00 0.00 O ATOM 97 OE2 GLU A 16 8.029 0.400 9.799 1.00 0.00 O ATOM 0 H GLU A 16 7.231 2.996 14.084 1.00 0.00 H new ATOM 0 HA GLU A 16 6.923 1.185 11.796 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.061 2.544 13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.450 0.847 13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.521 2.660 10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.202 2.295 11.120 1.00 0.00 H new ATOM 104 N ASN A 17 6.032 -0.296 14.072 1.00 0.00 N ATOM 105 CA ASN A 17 5.818 -1.559 14.834 1.00 0.00 C ATOM 106 C ASN A 17 4.315 -1.867 14.874 1.00 0.00 C ATOM 107 O ASN A 17 3.762 -2.148 15.920 1.00 0.00 O ATOM 108 CB ASN A 17 6.338 -1.382 16.262 1.00 0.00 C ATOM 109 CG ASN A 17 7.788 -1.861 16.341 1.00 0.00 C ATOM 110 OD1 ASN A 17 8.699 -1.063 16.434 1.00 0.00 O ATOM 111 ND2 ASN A 17 8.042 -3.140 16.308 1.00 0.00 N ATOM 0 H ASN A 17 5.209 0.301 13.988 1.00 0.00 H new ATOM 0 HA ASN A 17 6.351 -2.379 14.352 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.274 -0.334 16.556 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.719 -1.947 16.958 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.006 -3.470 16.360 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.277 -3.810 16.230 1.00 0.00 H new ATOM 118 N ASP A 18 3.642 -1.812 13.749 1.00 0.00 N ATOM 119 CA ASP A 18 2.181 -2.093 13.738 1.00 0.00 C ATOM 120 C ASP A 18 1.864 -3.088 12.627 1.00 0.00 C ATOM 121 O ASP A 18 1.349 -2.733 11.586 1.00 0.00 O ATOM 122 CB ASP A 18 1.409 -0.795 13.499 1.00 0.00 C ATOM 123 CG ASP A 18 -0.083 -1.043 13.733 1.00 0.00 C ATOM 124 OD1 ASP A 18 -0.408 -1.703 14.706 1.00 0.00 O ATOM 125 OD2 ASP A 18 -0.873 -0.570 12.934 1.00 0.00 O ATOM 0 H ASP A 18 4.046 -1.584 12.841 1.00 0.00 H new ATOM 0 HA ASP A 18 1.886 -2.515 14.699 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.769 -0.015 14.170 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.575 -0.442 12.481 1.00 0.00 H new ATOM 130 N GLU A 19 2.171 -4.333 12.847 1.00 0.00 N ATOM 131 CA GLU A 19 1.895 -5.371 11.813 1.00 0.00 C ATOM 132 C GLU A 19 0.518 -5.124 11.181 1.00 0.00 C ATOM 133 O GLU A 19 0.271 -5.509 10.056 1.00 0.00 O ATOM 134 CB GLU A 19 1.936 -6.765 12.454 1.00 0.00 C ATOM 135 CG GLU A 19 1.296 -7.786 11.509 1.00 0.00 C ATOM 136 CD GLU A 19 1.300 -9.167 12.166 1.00 0.00 C ATOM 137 OE1 GLU A 19 1.164 -9.226 13.376 1.00 0.00 O ATOM 138 OE2 GLU A 19 1.435 -10.144 11.446 1.00 0.00 O ATOM 0 H GLU A 19 2.604 -4.681 13.703 1.00 0.00 H new ATOM 0 HA GLU A 19 2.657 -5.314 11.035 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.967 -7.048 12.667 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.406 -6.754 13.406 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.275 -7.488 11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.844 -7.819 10.567 1.00 0.00 H new ATOM 145 N GLY A 20 -0.381 -4.479 11.883 1.00 0.00 N ATOM 146 CA GLY A 20 -1.723 -4.212 11.293 1.00 0.00 C ATOM 147 C GLY A 20 -1.563 -3.222 10.139 1.00 0.00 C ATOM 148 O GLY A 20 -1.960 -3.483 9.021 1.00 0.00 O ATOM 0 H GLY A 20 -0.243 -4.129 12.831 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.170 -5.140 10.936 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.394 -3.805 12.049 1.00 0.00 H new ATOM 152 N LEU A 21 -0.967 -2.092 10.401 1.00 0.00 N ATOM 153 CA LEU A 21 -0.760 -1.086 9.323 1.00 0.00 C ATOM 154 C LEU A 21 0.069 -1.720 8.207 1.00 0.00 C ATOM 155 O LEU A 21 -0.136 -1.453 7.041 1.00 0.00 O ATOM 156 CB LEU A 21 -0.017 0.118 9.898 1.00 0.00 C ATOM 157 CG LEU A 21 -0.384 1.371 9.100 1.00 0.00 C ATOM 158 CD1 LEU A 21 0.061 1.200 7.646 1.00 0.00 C ATOM 159 CD2 LEU A 21 -1.899 1.579 9.148 1.00 0.00 C ATOM 0 H LEU A 21 -0.613 -1.821 11.319 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.720 -0.760 8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.278 0.253 10.948 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.059 -0.051 9.856 1.00 0.00 H new ATOM 0 HG LEU A 21 0.117 2.237 9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.201 2.093 7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.140 1.051 7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.439 0.334 7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.162 2.471 8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.399 0.713 8.715 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.217 1.701 10.183 1.00 0.00 H new ATOM 171 N GLN A 22 1.001 -2.564 8.556 1.00 0.00 N ATOM 172 CA GLN A 22 1.833 -3.220 7.512 1.00 0.00 C ATOM 173 C GLN A 22 0.937 -4.081 6.629 1.00 0.00 C ATOM 174 O GLN A 22 1.096 -4.127 5.428 1.00 0.00 O ATOM 175 CB GLN A 22 2.902 -4.092 8.173 1.00 0.00 C ATOM 176 CG GLN A 22 3.928 -3.199 8.875 1.00 0.00 C ATOM 177 CD GLN A 22 4.969 -4.072 9.578 1.00 0.00 C ATOM 178 OE1 GLN A 22 5.165 -5.214 9.215 1.00 0.00 O ATOM 179 NE2 GLN A 22 5.648 -3.579 10.578 1.00 0.00 N ATOM 0 H GLN A 22 1.221 -2.826 9.517 1.00 0.00 H new ATOM 0 HA GLN A 22 2.324 -2.460 6.904 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.441 -4.769 8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.395 -4.711 7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.415 -2.547 8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.430 -2.554 9.599 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.483 -2.620 10.883 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.343 -4.153 11.055 1.00 0.00 H new ATOM 188 N ARG A 23 -0.017 -4.749 7.208 1.00 0.00 N ATOM 189 CA ARG A 23 -0.938 -5.583 6.391 1.00 0.00 C ATOM 190 C ARG A 23 -1.824 -4.645 5.566 1.00 0.00 C ATOM 191 O ARG A 23 -2.431 -5.037 4.591 1.00 0.00 O ATOM 192 CB ARG A 23 -1.810 -6.444 7.308 1.00 0.00 C ATOM 193 CG ARG A 23 -1.893 -7.864 6.745 1.00 0.00 C ATOM 194 CD ARG A 23 -2.620 -8.768 7.744 1.00 0.00 C ATOM 195 NE ARG A 23 -2.752 -10.137 7.170 1.00 0.00 N ATOM 196 CZ ARG A 23 -2.622 -11.182 7.940 1.00 0.00 C ATOM 197 NH1 ARG A 23 -3.427 -11.348 8.954 1.00 0.00 N ATOM 198 NH2 ARG A 23 -1.689 -12.061 7.697 1.00 0.00 N ATOM 0 H ARG A 23 -0.200 -4.754 8.212 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.368 -6.241 5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.390 -6.464 8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.808 -6.014 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.422 -7.858 5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.892 -8.249 6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.068 -8.808 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.605 -8.360 7.970 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.944 -10.257 6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.157 -10.661 9.144 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.326 -12.165 9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.060 -11.931 6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.588 -12.878 8.300 1.00 0.00 H new ATOM 212 N ALA A 24 -1.886 -3.399 5.957 1.00 0.00 N ATOM 213 CA ALA A 24 -2.710 -2.408 5.213 1.00 0.00 C ATOM 214 C ALA A 24 -1.983 -2.016 3.937 1.00 0.00 C ATOM 215 O ALA A 24 -2.509 -2.131 2.842 1.00 0.00 O ATOM 216 CB ALA A 24 -2.921 -1.165 6.080 1.00 0.00 C ATOM 0 H ALA A 24 -1.395 -3.025 6.769 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.678 -2.846 4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.525 -0.439 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.434 -1.446 7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.955 -0.723 6.324 1.00 0.00 H new ATOM 222 N LEU A 25 -0.773 -1.560 4.062 1.00 0.00 N ATOM 223 CA LEU A 25 -0.013 -1.166 2.866 1.00 0.00 C ATOM 224 C LEU A 25 0.236 -2.392 2.000 1.00 0.00 C ATOM 225 O LEU A 25 0.234 -2.323 0.798 1.00 0.00 O ATOM 226 CB LEU A 25 1.301 -0.563 3.340 1.00 0.00 C ATOM 227 CG LEU A 25 2.189 -0.197 2.145 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.858 -1.458 1.598 1.00 0.00 C ATOM 229 CD2 LEU A 25 1.345 0.450 1.044 1.00 0.00 C ATOM 0 H LEU A 25 -0.281 -1.445 4.948 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.562 -0.438 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.104 0.326 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.822 -1.272 3.983 1.00 0.00 H new ATOM 0 HG LEU A 25 2.952 0.509 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.489 -1.196 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.469 -1.913 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.093 -2.166 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.984 0.707 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.575 -0.249 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.874 1.354 1.430 1.00 0.00 H new ATOM 241 N GLN A 26 0.452 -3.514 2.598 1.00 0.00 N ATOM 242 CA GLN A 26 0.706 -4.737 1.788 1.00 0.00 C ATOM 243 C GLN A 26 -0.591 -5.235 1.137 1.00 0.00 C ATOM 244 O GLN A 26 -0.562 -5.922 0.136 1.00 0.00 O ATOM 245 CB GLN A 26 1.287 -5.835 2.681 1.00 0.00 C ATOM 246 CG GLN A 26 2.721 -6.141 2.245 1.00 0.00 C ATOM 247 CD GLN A 26 2.734 -6.523 0.763 1.00 0.00 C ATOM 248 OE1 GLN A 26 2.899 -5.677 -0.092 1.00 0.00 O ATOM 249 NE2 GLN A 26 2.565 -7.771 0.423 1.00 0.00 N ATOM 0 H GLN A 26 0.466 -3.647 3.609 1.00 0.00 H new ATOM 0 HA GLN A 26 1.418 -4.490 1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.273 -5.517 3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.675 -6.735 2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.357 -5.272 2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.129 -6.955 2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.426 -8.481 1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.571 -8.037 -0.562 1.00 0.00 H new ATOM 258 N PHE A 27 -1.725 -4.897 1.685 1.00 0.00 N ATOM 259 CA PHE A 27 -3.011 -5.354 1.085 1.00 0.00 C ATOM 260 C PHE A 27 -3.294 -4.548 -0.177 1.00 0.00 C ATOM 261 O PHE A 27 -3.457 -5.078 -1.264 1.00 0.00 O ATOM 262 CB PHE A 27 -4.116 -5.105 2.097 1.00 0.00 C ATOM 263 CG PHE A 27 -5.402 -5.787 1.695 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.522 -6.417 0.450 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.487 -5.773 2.579 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.730 -7.028 0.093 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.691 -6.386 2.224 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.815 -7.012 0.981 1.00 0.00 C ATOM 0 H PHE A 27 -1.817 -4.323 2.523 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.957 -6.412 0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.802 -5.467 3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.287 -4.033 2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.685 -6.431 -0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.393 -5.287 3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.826 -7.512 -0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.525 -6.376 2.910 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.746 -7.483 0.704 1.00 0.00 H new ATOM 278 N ALA A 28 -3.342 -3.263 -0.031 1.00 0.00 N ATOM 279 CA ALA A 28 -3.613 -2.385 -1.199 1.00 0.00 C ATOM 280 C ALA A 28 -2.421 -2.412 -2.148 1.00 0.00 C ATOM 281 O ALA A 28 -2.564 -2.605 -3.339 1.00 0.00 O ATOM 282 CB ALA A 28 -3.827 -0.961 -0.708 1.00 0.00 C ATOM 0 H ALA A 28 -3.204 -2.774 0.854 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.501 -2.738 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.027 -0.309 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.675 -0.936 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.932 -0.617 -0.189 1.00 0.00 H new ATOM 288 N ILE A 29 -1.249 -2.210 -1.630 1.00 0.00 N ATOM 289 CA ILE A 29 -0.045 -2.221 -2.497 1.00 0.00 C ATOM 290 C ILE A 29 0.032 -3.561 -3.212 1.00 0.00 C ATOM 291 O ILE A 29 0.353 -3.646 -4.378 1.00 0.00 O ATOM 292 CB ILE A 29 1.205 -1.999 -1.631 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.237 -1.241 -2.439 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.790 -3.326 -1.169 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.540 -0.034 -3.027 1.00 0.00 C ATOM 0 H ILE A 29 -1.071 -2.037 -0.641 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.102 -1.424 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 29 0.924 -1.425 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.072 -0.935 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.648 -1.871 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.674 -3.141 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.048 -3.865 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.068 -3.923 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.250 0.543 -3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.718 -0.363 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.149 0.588 -2.222 1.00 0.00 H new ATOM 307 N ALA A 30 -0.276 -4.607 -2.515 1.00 0.00 N ATOM 308 CA ALA A 30 -0.251 -5.946 -3.152 1.00 0.00 C ATOM 309 C ALA A 30 -1.144 -5.868 -4.383 1.00 0.00 C ATOM 310 O ALA A 30 -0.868 -6.451 -5.416 1.00 0.00 O ATOM 311 CB ALA A 30 -0.798 -6.996 -2.181 1.00 0.00 C ATOM 0 H ALA A 30 -0.545 -4.596 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 30 0.766 -6.230 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.777 -7.977 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.183 -7.015 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.824 -6.745 -1.914 1.00 0.00 H new ATOM 317 N GLU A 31 -2.217 -5.129 -4.276 1.00 0.00 N ATOM 318 CA GLU A 31 -3.135 -4.987 -5.435 1.00 0.00 C ATOM 319 C GLU A 31 -2.500 -4.089 -6.497 1.00 0.00 C ATOM 320 O GLU A 31 -2.776 -4.228 -7.672 1.00 0.00 O ATOM 321 CB GLU A 31 -4.464 -4.381 -4.980 1.00 0.00 C ATOM 322 CG GLU A 31 -5.391 -5.494 -4.488 1.00 0.00 C ATOM 323 CD GLU A 31 -4.639 -6.391 -3.502 1.00 0.00 C ATOM 324 OE1 GLU A 31 -3.687 -7.031 -3.920 1.00 0.00 O ATOM 325 OE2 GLU A 31 -5.028 -6.425 -2.346 1.00 0.00 O ATOM 0 H GLU A 31 -2.494 -4.620 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.318 -5.974 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.292 -3.658 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.931 -3.842 -5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.269 -5.063 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.748 -6.084 -5.332 1.00 0.00 H new ATOM 332 N TYR A 32 -1.649 -3.172 -6.114 1.00 0.00 N ATOM 333 CA TYR A 32 -1.025 -2.305 -7.136 1.00 0.00 C ATOM 334 C TYR A 32 -0.087 -3.154 -7.994 1.00 0.00 C ATOM 335 O TYR A 32 -0.123 -3.102 -9.206 1.00 0.00 O ATOM 336 CB TYR A 32 -0.249 -1.190 -6.451 1.00 0.00 C ATOM 337 CG TYR A 32 -0.364 0.073 -7.265 1.00 0.00 C ATOM 338 CD1 TYR A 32 -1.608 0.464 -7.776 1.00 0.00 C ATOM 339 CD2 TYR A 32 0.761 0.868 -7.494 1.00 0.00 C ATOM 340 CE1 TYR A 32 -1.722 1.636 -8.510 1.00 0.00 C ATOM 341 CE2 TYR A 32 0.647 2.043 -8.228 1.00 0.00 C ATOM 342 CZ TYR A 32 -0.596 2.433 -8.739 1.00 0.00 C ATOM 343 OH TYR A 32 -0.713 3.598 -9.470 1.00 0.00 O ATOM 0 H TYR A 32 -1.367 -2.993 -5.150 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.791 -1.858 -7.770 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.638 -1.025 -5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.798 -1.473 -6.344 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.480 -0.148 -7.598 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.721 0.569 -7.100 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.682 1.933 -8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.519 2.656 -8.404 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.436 3.502 -10.125 1.00 0.00 H new ATOM 353 N ASN A 33 0.748 -3.945 -7.372 1.00 0.00 N ATOM 354 CA ASN A 33 1.678 -4.805 -8.154 1.00 0.00 C ATOM 355 C ASN A 33 0.870 -5.770 -9.033 1.00 0.00 C ATOM 356 O ASN A 33 1.188 -5.975 -10.187 1.00 0.00 O ATOM 357 CB ASN A 33 2.578 -5.600 -7.192 1.00 0.00 C ATOM 358 CG ASN A 33 1.817 -6.807 -6.637 1.00 0.00 C ATOM 359 OD1 ASN A 33 1.432 -6.820 -5.485 1.00 0.00 O ATOM 360 ND2 ASN A 33 1.584 -7.829 -7.413 1.00 0.00 N ATOM 0 H ASN A 33 0.824 -4.031 -6.359 1.00 0.00 H new ATOM 0 HA ASN A 33 2.302 -4.179 -8.791 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.475 -5.934 -7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.905 -4.959 -6.374 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.079 -8.638 -7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.907 -7.819 -8.380 1.00 0.00 H new ATOM 367 N ARG A 34 -0.168 -6.369 -8.506 1.00 0.00 N ATOM 368 CA ARG A 34 -0.973 -7.310 -9.332 1.00 0.00 C ATOM 369 C ARG A 34 -1.686 -6.536 -10.442 1.00 0.00 C ATOM 370 O ARG A 34 -2.174 -7.108 -11.396 1.00 0.00 O ATOM 371 CB ARG A 34 -2.009 -8.012 -8.449 1.00 0.00 C ATOM 372 CG ARG A 34 -3.016 -8.750 -9.334 1.00 0.00 C ATOM 373 CD ARG A 34 -4.101 -9.380 -8.460 1.00 0.00 C ATOM 374 NE ARG A 34 -4.166 -10.845 -8.726 1.00 0.00 N ATOM 375 CZ ARG A 34 -5.079 -11.325 -9.526 1.00 0.00 C ATOM 376 NH1 ARG A 34 -6.260 -11.627 -9.060 1.00 0.00 N ATOM 377 NH2 ARG A 34 -4.812 -11.502 -10.791 1.00 0.00 N ATOM 0 H ARG A 34 -0.489 -6.246 -7.546 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.313 -8.055 -9.777 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.515 -8.715 -7.778 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.524 -7.283 -7.824 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.465 -8.058 -10.047 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.509 -9.521 -9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.884 -9.200 -7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.066 -8.918 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.496 -11.473 -8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.469 -11.488 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.974 -12.002 -9.684 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.889 -11.265 -11.155 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.526 -11.877 -11.415 1.00 0.00 H new ATOM 391 N ALA A 35 -1.755 -5.239 -10.322 1.00 0.00 N ATOM 392 CA ALA A 35 -2.444 -4.430 -11.369 1.00 0.00 C ATOM 393 C ALA A 35 -1.479 -4.110 -12.510 1.00 0.00 C ATOM 394 O ALA A 35 -1.806 -4.239 -13.673 1.00 0.00 O ATOM 395 CB ALA A 35 -2.956 -3.127 -10.750 1.00 0.00 C ATOM 0 H ALA A 35 -1.365 -4.704 -9.546 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.282 -5.003 -11.766 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.460 -2.535 -11.514 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.657 -3.356 -9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.116 -2.561 -10.347 1.00 0.00 H new ATOM 401 N SER A 36 -0.298 -3.685 -12.182 1.00 0.00 N ATOM 402 CA SER A 36 0.702 -3.341 -13.234 1.00 0.00 C ATOM 403 C SER A 36 1.541 -4.572 -13.582 1.00 0.00 C ATOM 404 O SER A 36 2.380 -4.526 -14.460 1.00 0.00 O ATOM 405 CB SER A 36 1.621 -2.232 -12.717 1.00 0.00 C ATOM 406 OG SER A 36 2.739 -2.103 -13.583 1.00 0.00 O ATOM 0 H SER A 36 0.025 -3.558 -11.223 1.00 0.00 H new ATOM 0 HA SER A 36 0.178 -3.001 -14.127 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.077 -1.289 -12.665 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.955 -2.464 -11.706 1.00 0.00 H new ATOM 0 HG SER A 36 3.348 -1.421 -13.231 1.00 0.00 H new ATOM 412 N ASN A 37 1.329 -5.667 -12.894 1.00 0.00 N ATOM 413 CA ASN A 37 2.123 -6.904 -13.173 1.00 0.00 C ATOM 414 C ASN A 37 2.366 -7.049 -14.674 1.00 0.00 C ATOM 415 O ASN A 37 3.357 -7.606 -15.103 1.00 0.00 O ATOM 416 CB ASN A 37 1.365 -8.134 -12.655 1.00 0.00 C ATOM 417 CG ASN A 37 -0.130 -7.983 -12.948 1.00 0.00 C ATOM 418 OD1 ASN A 37 -0.549 -7.030 -13.573 1.00 0.00 O ATOM 419 ND2 ASN A 37 -0.960 -8.896 -12.520 1.00 0.00 N ATOM 0 H ASN A 37 0.638 -5.758 -12.149 1.00 0.00 H new ATOM 0 HA ASN A 37 3.084 -6.827 -12.664 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.749 -9.036 -13.131 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.525 -8.246 -11.583 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.958 -8.808 -12.711 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.610 -9.697 -11.995 1.00 0.00 H new ATOM 426 N ASP A 38 1.478 -6.542 -15.473 1.00 0.00 N ATOM 427 CA ASP A 38 1.646 -6.629 -16.938 1.00 0.00 C ATOM 428 C ASP A 38 3.010 -6.064 -17.336 1.00 0.00 C ATOM 429 O ASP A 38 3.982 -6.782 -17.465 1.00 0.00 O ATOM 430 CB ASP A 38 0.538 -5.804 -17.569 1.00 0.00 C ATOM 431 CG ASP A 38 0.792 -5.649 -19.069 1.00 0.00 C ATOM 432 OD1 ASP A 38 0.960 -6.662 -19.729 1.00 0.00 O ATOM 433 OD2 ASP A 38 0.817 -4.520 -19.533 1.00 0.00 O ATOM 0 H ASP A 38 0.631 -6.064 -15.166 1.00 0.00 H new ATOM 0 HA ASP A 38 1.594 -7.664 -17.275 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.425 -6.286 -17.403 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.489 -4.823 -17.097 1.00 0.00 H new ATOM 438 N LYS A 39 3.081 -4.782 -17.529 1.00 0.00 N ATOM 439 CA LYS A 39 4.373 -4.148 -17.918 1.00 0.00 C ATOM 440 C LYS A 39 5.445 -4.477 -16.881 1.00 0.00 C ATOM 441 O LYS A 39 6.469 -5.053 -17.189 1.00 0.00 O ATOM 442 CB LYS A 39 4.190 -2.632 -17.995 1.00 0.00 C ATOM 443 CG LYS A 39 3.340 -2.286 -19.219 1.00 0.00 C ATOM 444 CD LYS A 39 2.299 -1.232 -18.839 1.00 0.00 C ATOM 445 CE LYS A 39 1.899 -0.438 -20.085 1.00 0.00 C ATOM 446 NZ LYS A 39 0.501 -0.784 -20.467 1.00 0.00 N ATOM 0 H LYS A 39 2.296 -4.138 -17.434 1.00 0.00 H new ATOM 0 HA LYS A 39 4.684 -4.531 -18.890 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.708 -2.266 -17.088 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.160 -2.140 -18.061 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.975 -1.911 -20.022 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.845 -3.181 -19.596 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.422 -1.712 -18.403 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.705 -0.561 -18.082 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.980 0.631 -19.889 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.578 -0.664 -20.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.229 -0.245 -21.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.438 -1.802 -20.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.142 -0.547 -19.684 1.00 0.00 H new ATOM 460 N TYR A 40 5.223 -4.098 -15.657 1.00 0.00 N ATOM 461 CA TYR A 40 6.212 -4.356 -14.597 1.00 0.00 C ATOM 462 C TYR A 40 5.486 -4.346 -13.249 1.00 0.00 C ATOM 463 O TYR A 40 4.307 -4.628 -13.177 1.00 0.00 O ATOM 464 CB TYR A 40 7.273 -3.265 -14.683 1.00 0.00 C ATOM 465 CG TYR A 40 6.614 -1.936 -14.826 1.00 0.00 C ATOM 466 CD1 TYR A 40 5.803 -1.452 -13.802 1.00 0.00 C ATOM 467 CD2 TYR A 40 6.812 -1.190 -15.985 1.00 0.00 C ATOM 468 CE1 TYR A 40 5.182 -0.216 -13.936 1.00 0.00 C ATOM 469 CE2 TYR A 40 6.196 0.049 -16.125 1.00 0.00 C ATOM 470 CZ TYR A 40 5.375 0.542 -15.101 1.00 0.00 C ATOM 471 OH TYR A 40 4.758 1.768 -15.240 1.00 0.00 O ATOM 0 H TYR A 40 4.381 -3.612 -15.348 1.00 0.00 H new ATOM 0 HA TYR A 40 6.698 -5.325 -14.709 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.896 -3.279 -13.789 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.930 -3.449 -15.533 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.657 -2.036 -12.906 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.443 -1.573 -16.774 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.551 0.161 -13.144 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.350 0.631 -17.022 1.00 0.00 H new ATOM 0 HH TYR A 40 4.999 2.159 -16.105 1.00 0.00 H new ATOM 481 N SER A 41 6.164 -4.062 -12.183 1.00 0.00 N ATOM 482 CA SER A 41 5.479 -4.084 -10.855 1.00 0.00 C ATOM 483 C SER A 41 5.415 -2.683 -10.236 1.00 0.00 C ATOM 484 O SER A 41 6.263 -1.839 -10.473 1.00 0.00 O ATOM 485 CB SER A 41 6.238 -5.019 -9.913 1.00 0.00 C ATOM 486 OG SER A 41 5.494 -6.215 -9.734 1.00 0.00 O ATOM 0 H SER A 41 7.154 -3.817 -12.164 1.00 0.00 H new ATOM 0 HA SER A 41 4.459 -4.438 -11.002 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.221 -5.248 -10.324 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.400 -4.531 -8.952 1.00 0.00 H new ATOM 0 HG SER A 41 5.980 -6.816 -9.132 1.00 0.00 H new ATOM 492 N SER A 42 4.411 -2.452 -9.424 1.00 0.00 N ATOM 493 CA SER A 42 4.260 -1.131 -8.746 1.00 0.00 C ATOM 494 C SER A 42 4.741 -1.274 -7.297 1.00 0.00 C ATOM 495 O SER A 42 4.237 -2.094 -6.556 1.00 0.00 O ATOM 496 CB SER A 42 2.785 -0.714 -8.743 1.00 0.00 C ATOM 497 OG SER A 42 2.121 -1.308 -9.848 1.00 0.00 O ATOM 0 H SER A 42 3.684 -3.131 -9.202 1.00 0.00 H new ATOM 0 HA SER A 42 4.845 -0.377 -9.272 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.311 -1.023 -7.812 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.703 0.372 -8.797 1.00 0.00 H new ATOM 0 HG SER A 42 1.367 -1.845 -9.526 1.00 0.00 H new ATOM 503 N ARG A 43 5.717 -0.510 -6.878 1.00 0.00 N ATOM 504 CA ARG A 43 6.203 -0.660 -5.470 1.00 0.00 C ATOM 505 C ARG A 43 6.089 0.667 -4.711 1.00 0.00 C ATOM 506 O ARG A 43 6.249 1.733 -5.270 1.00 0.00 O ATOM 507 CB ARG A 43 7.663 -1.111 -5.486 1.00 0.00 C ATOM 508 CG ARG A 43 7.756 -2.554 -4.982 1.00 0.00 C ATOM 509 CD ARG A 43 8.959 -3.244 -5.627 1.00 0.00 C ATOM 510 NE ARG A 43 9.802 -3.867 -4.568 1.00 0.00 N ATOM 511 CZ ARG A 43 10.770 -4.679 -4.898 1.00 0.00 C ATOM 512 NH1 ARG A 43 10.502 -5.803 -5.505 1.00 0.00 N ATOM 513 NH2 ARG A 43 12.007 -4.366 -4.622 1.00 0.00 N ATOM 0 H ARG A 43 6.192 0.199 -7.436 1.00 0.00 H new ATOM 0 HA ARG A 43 5.586 -1.403 -4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.066 -1.041 -6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.265 -0.455 -4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.856 -2.565 -3.897 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.841 -3.094 -5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.621 -4.004 -6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.545 -2.521 -6.195 1.00 0.00 H new ATOM 0 HE ARG A 43 9.623 -3.659 -3.586 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.536 -6.048 -5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.259 -6.437 -5.762 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.217 -3.487 -4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.763 -5.000 -4.880 1.00 0.00 H new ATOM 527 N VAL A 44 5.826 0.602 -3.428 1.00 0.00 N ATOM 528 CA VAL A 44 5.713 1.850 -2.617 1.00 0.00 C ATOM 529 C VAL A 44 6.960 2.695 -2.816 1.00 0.00 C ATOM 530 O VAL A 44 7.833 2.356 -3.589 1.00 0.00 O ATOM 531 CB VAL A 44 5.506 1.492 -1.144 1.00 0.00 C ATOM 532 CG1 VAL A 44 6.849 1.400 -0.418 1.00 0.00 C ATOM 533 CG2 VAL A 44 4.633 2.568 -0.495 1.00 0.00 C ATOM 0 H VAL A 44 5.685 -0.264 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 44 4.851 2.432 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 44 5.016 0.521 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.680 1.145 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.463 0.630 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.362 2.360 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.477 2.325 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.129 3.535 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.670 2.611 -1.004 1.00 0.00 H new ATOM 543 N VAL A 45 7.038 3.815 -2.161 1.00 0.00 N ATOM 544 CA VAL A 45 8.209 4.689 -2.364 1.00 0.00 C ATOM 545 C VAL A 45 8.409 5.546 -1.116 1.00 0.00 C ATOM 546 O VAL A 45 9.287 5.303 -0.313 1.00 0.00 O ATOM 547 CB VAL A 45 7.960 5.606 -3.570 1.00 0.00 C ATOM 548 CG1 VAL A 45 9.030 5.403 -4.613 1.00 0.00 C ATOM 549 CG2 VAL A 45 6.652 5.294 -4.266 1.00 0.00 C ATOM 0 H VAL A 45 6.343 4.158 -1.498 1.00 0.00 H new ATOM 0 HA VAL A 45 9.095 4.081 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 45 7.951 6.621 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.840 6.060 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.005 5.636 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.020 4.366 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.520 5.968 -5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.666 4.264 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.827 5.425 -3.566 1.00 0.00 H new ATOM 559 N ARG A 46 7.589 6.547 -0.947 1.00 0.00 N ATOM 560 CA ARG A 46 7.712 7.422 0.248 1.00 0.00 C ATOM 561 C ARG A 46 6.328 7.615 0.870 1.00 0.00 C ATOM 562 O ARG A 46 5.606 8.531 0.530 1.00 0.00 O ATOM 563 CB ARG A 46 8.281 8.782 -0.168 1.00 0.00 C ATOM 564 CG ARG A 46 8.719 9.555 1.078 1.00 0.00 C ATOM 565 CD ARG A 46 8.505 11.052 0.848 1.00 0.00 C ATOM 566 NE ARG A 46 9.541 11.823 1.592 1.00 0.00 N ATOM 567 CZ ARG A 46 9.774 11.559 2.849 1.00 0.00 C ATOM 568 NH1 ARG A 46 10.627 10.625 3.172 1.00 0.00 N ATOM 569 NH2 ARG A 46 9.155 12.229 3.781 1.00 0.00 N ATOM 0 H ARG A 46 6.837 6.796 -1.589 1.00 0.00 H new ATOM 0 HA ARG A 46 8.381 6.960 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.128 8.644 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.529 9.350 -0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.147 9.224 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.769 9.355 1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.562 11.279 -0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.509 11.343 1.183 1.00 0.00 H new ATOM 0 HE ARG A 46 10.068 12.557 1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.111 10.102 2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.809 10.418 4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.489 12.959 3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.337 12.023 4.763 1.00 0.00 H new ATOM 583 N VAL A 47 5.951 6.758 1.780 1.00 0.00 N ATOM 584 CA VAL A 47 4.623 6.887 2.425 1.00 0.00 C ATOM 585 C VAL A 47 4.386 8.342 2.803 1.00 0.00 C ATOM 586 O VAL A 47 5.274 9.170 2.743 1.00 0.00 O ATOM 587 CB VAL A 47 4.592 5.986 3.652 1.00 0.00 C ATOM 588 CG1 VAL A 47 3.573 6.494 4.669 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.218 4.563 3.225 1.00 0.00 C ATOM 0 H VAL A 47 6.513 5.971 2.103 1.00 0.00 H new ATOM 0 HA VAL A 47 3.830 6.581 1.743 1.00 0.00 H new ATOM 0 HB VAL A 47 5.579 5.991 4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.567 5.836 5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.842 7.503 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.582 6.506 4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.195 3.915 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.235 4.571 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.957 4.189 2.517 1.00 0.00 H new ATOM 599 N ILE A 48 3.183 8.661 3.163 1.00 0.00 N ATOM 600 CA ILE A 48 2.854 10.055 3.510 1.00 0.00 C ATOM 601 C ILE A 48 1.884 10.042 4.679 1.00 0.00 C ATOM 602 O ILE A 48 2.091 10.680 5.692 1.00 0.00 O ATOM 603 CB ILE A 48 2.163 10.659 2.298 1.00 0.00 C ATOM 604 CG1 ILE A 48 3.199 11.026 1.235 1.00 0.00 C ATOM 605 CG2 ILE A 48 1.377 11.911 2.700 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.498 11.171 -0.119 1.00 0.00 C ATOM 0 H ILE A 48 2.405 8.004 3.232 1.00 0.00 H new ATOM 0 HA ILE A 48 3.743 10.625 3.779 1.00 0.00 H new ATOM 0 HB ILE A 48 1.471 9.922 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.698 11.958 1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.969 10.257 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.888 12.332 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.624 11.645 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.059 12.648 3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.231 11.433 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.019 10.228 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.744 11.955 -0.056 1.00 0.00 H new ATOM 618 N SER A 49 0.810 9.326 4.525 1.00 0.00 N ATOM 619 CA SER A 49 -0.205 9.282 5.619 1.00 0.00 C ATOM 620 C SER A 49 -0.627 7.843 5.943 1.00 0.00 C ATOM 621 O SER A 49 -1.586 7.333 5.405 1.00 0.00 O ATOM 622 CB SER A 49 -1.437 10.083 5.194 1.00 0.00 C ATOM 623 OG SER A 49 -1.172 11.471 5.342 1.00 0.00 O ATOM 0 H SER A 49 0.588 8.772 3.698 1.00 0.00 H new ATOM 0 HA SER A 49 0.244 9.713 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.691 9.858 4.158 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.296 9.799 5.801 1.00 0.00 H new ATOM 0 HG SER A 49 -1.960 11.985 5.068 1.00 0.00 H new ATOM 629 N ALA A 50 0.061 7.211 6.856 1.00 0.00 N ATOM 630 CA ALA A 50 -0.312 5.822 7.268 1.00 0.00 C ATOM 631 C ALA A 50 -1.008 5.915 8.635 1.00 0.00 C ATOM 632 O ALA A 50 -0.365 6.112 9.647 1.00 0.00 O ATOM 633 CB ALA A 50 0.948 4.966 7.391 1.00 0.00 C ATOM 0 H ALA A 50 0.872 7.599 7.339 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.972 5.366 6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.673 3.955 7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.460 4.932 6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.611 5.399 8.140 1.00 0.00 H new ATOM 639 N LYS A 51 -2.312 5.806 8.678 1.00 0.00 N ATOM 640 CA LYS A 51 -3.019 5.926 9.987 1.00 0.00 C ATOM 641 C LYS A 51 -4.093 4.854 10.112 1.00 0.00 C ATOM 642 O LYS A 51 -4.508 4.247 9.141 1.00 0.00 O ATOM 643 CB LYS A 51 -3.677 7.304 10.083 1.00 0.00 C ATOM 644 CG LYS A 51 -2.652 8.328 10.571 1.00 0.00 C ATOM 645 CD LYS A 51 -3.018 9.712 10.033 1.00 0.00 C ATOM 646 CE LYS A 51 -2.278 9.960 8.717 1.00 0.00 C ATOM 647 NZ LYS A 51 -1.923 11.405 8.612 1.00 0.00 N ATOM 0 H LYS A 51 -2.912 5.641 7.870 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.293 5.799 10.790 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.067 7.601 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.524 7.267 10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.629 8.344 11.661 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.654 8.048 10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.094 9.780 9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.754 10.479 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.377 9.349 8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.904 9.666 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.639 11.623 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.747 11.985 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.135 11.617 9.257 1.00 0.00 H new ATOM 661 N ARG A 52 -4.548 4.625 11.311 1.00 0.00 N ATOM 662 CA ARG A 52 -5.599 3.590 11.523 1.00 0.00 C ATOM 663 C ARG A 52 -6.738 4.161 12.381 1.00 0.00 C ATOM 664 O ARG A 52 -6.762 3.994 13.584 1.00 0.00 O ATOM 665 CB ARG A 52 -4.982 2.382 12.221 1.00 0.00 C ATOM 666 CG ARG A 52 -3.824 1.842 11.379 1.00 0.00 C ATOM 667 CD ARG A 52 -3.175 0.657 12.097 1.00 0.00 C ATOM 668 NE ARG A 52 -3.121 0.930 13.560 1.00 0.00 N ATOM 669 CZ ARG A 52 -4.071 0.493 14.341 1.00 0.00 C ATOM 670 NH1 ARG A 52 -4.322 -0.786 14.411 1.00 0.00 N ATOM 671 NH2 ARG A 52 -4.771 1.334 15.051 1.00 0.00 N ATOM 0 H ARG A 52 -4.238 5.109 12.154 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.006 3.287 10.558 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.625 2.664 13.211 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.735 1.607 12.363 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.187 1.532 10.399 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.086 2.627 11.211 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.744 -0.253 11.907 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.170 0.490 11.710 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.342 1.459 13.952 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.776 -1.444 13.855 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.064 -1.127 15.021 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.576 2.334 14.996 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.513 0.992 15.661 1.00 0.00 H new ATOM 685 N GLN A 53 -7.683 4.832 11.771 1.00 0.00 N ATOM 686 CA GLN A 53 -8.819 5.410 12.553 1.00 0.00 C ATOM 687 C GLN A 53 -9.308 4.381 13.573 1.00 0.00 C ATOM 688 O GLN A 53 -9.200 3.192 13.363 1.00 0.00 O ATOM 689 CB GLN A 53 -9.961 5.772 11.602 1.00 0.00 C ATOM 690 CG GLN A 53 -9.992 7.288 11.395 1.00 0.00 C ATOM 691 CD GLN A 53 -11.418 7.802 11.601 1.00 0.00 C ATOM 692 OE1 GLN A 53 -12.001 7.609 12.649 1.00 0.00 O ATOM 693 NE2 GLN A 53 -12.009 8.453 10.636 1.00 0.00 N ATOM 0 H GLN A 53 -7.717 5.004 10.766 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.485 6.307 13.074 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.826 5.266 10.646 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.912 5.431 12.012 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.314 7.775 12.095 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.646 7.536 10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.520 8.615 9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.960 8.799 10.762 1.00 0.00 H new ATOM 702 N LEU A 54 -9.836 4.820 14.684 1.00 0.00 N ATOM 703 CA LEU A 54 -10.303 3.842 15.707 1.00 0.00 C ATOM 704 C LEU A 54 -11.789 4.046 16.024 1.00 0.00 C ATOM 705 O LEU A 54 -12.151 4.817 16.890 1.00 0.00 O ATOM 706 CB LEU A 54 -9.484 4.025 16.986 1.00 0.00 C ATOM 707 CG LEU A 54 -9.333 2.679 17.695 1.00 0.00 C ATOM 708 CD1 LEU A 54 -7.899 2.175 17.529 1.00 0.00 C ATOM 709 CD2 LEU A 54 -9.645 2.850 19.183 1.00 0.00 C ATOM 0 H LEU A 54 -9.963 5.803 14.926 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.169 2.835 15.312 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.502 4.433 16.746 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.975 4.741 17.645 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.024 1.958 17.259 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.790 1.215 18.034 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.676 2.055 16.469 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.207 2.895 17.966 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.538 1.891 19.690 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.953 3.570 19.619 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.667 3.211 19.301 1.00 0.00 H new ATOM 721 N VAL A 55 -12.646 3.329 15.350 1.00 0.00 N ATOM 722 CA VAL A 55 -14.106 3.434 15.620 1.00 0.00 C ATOM 723 C VAL A 55 -14.596 2.028 15.982 1.00 0.00 C ATOM 724 O VAL A 55 -13.831 1.243 16.506 1.00 0.00 O ATOM 725 CB VAL A 55 -14.810 3.962 14.363 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.001 2.830 13.350 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.170 4.552 14.740 1.00 0.00 C ATOM 0 H VAL A 55 -12.393 2.668 14.616 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.322 4.122 16.437 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.192 4.739 13.913 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.502 3.217 12.462 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.029 2.424 13.071 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -15.609 2.042 13.795 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.666 4.925 13.844 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.786 3.780 15.201 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.028 5.372 15.445 1.00 0.00 H new ATOM 737 N SER A 56 -15.836 1.683 15.711 1.00 0.00 N ATOM 738 CA SER A 56 -16.302 0.296 16.048 1.00 0.00 C ATOM 739 C SER A 56 -15.173 -0.692 15.736 1.00 0.00 C ATOM 740 O SER A 56 -14.994 -1.692 16.400 1.00 0.00 O ATOM 741 CB SER A 56 -17.535 -0.062 15.208 1.00 0.00 C ATOM 742 OG SER A 56 -17.130 -0.350 13.878 1.00 0.00 O ATOM 0 H SER A 56 -16.534 2.289 15.279 1.00 0.00 H new ATOM 0 HA SER A 56 -16.566 0.247 17.104 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.045 -0.923 15.639 1.00 0.00 H new ATOM 0 HB3 SER A 56 -18.245 0.765 15.213 1.00 0.00 H new ATOM 0 HG SER A 56 -17.916 -0.581 13.340 1.00 0.00 H new ATOM 748 N GLY A 57 -14.392 -0.375 14.744 1.00 0.00 N ATOM 749 CA GLY A 57 -13.235 -1.226 14.367 1.00 0.00 C ATOM 750 C GLY A 57 -12.095 -0.276 13.980 1.00 0.00 C ATOM 751 O GLY A 57 -11.780 0.639 14.717 1.00 0.00 O ATOM 0 H GLY A 57 -14.511 0.457 14.167 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.939 -1.867 15.198 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.492 -1.881 13.535 1.00 0.00 H new ATOM 755 N ILE A 58 -11.478 -0.446 12.839 1.00 0.00 N ATOM 756 CA ILE A 58 -10.389 0.498 12.470 1.00 0.00 C ATOM 757 C ILE A 58 -10.475 0.870 10.997 1.00 0.00 C ATOM 758 O ILE A 58 -10.945 0.113 10.173 1.00 0.00 O ATOM 759 CB ILE A 58 -9.038 -0.161 12.710 1.00 0.00 C ATOM 760 CG1 ILE A 58 -8.861 -0.410 14.192 1.00 0.00 C ATOM 761 CG2 ILE A 58 -7.916 0.741 12.220 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.265 -1.839 14.464 1.00 0.00 C ATOM 0 H ILE A 58 -11.677 -1.182 12.162 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.497 1.394 13.082 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.002 -1.103 12.164 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.826 -0.241 14.488 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.475 0.279 14.772 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.956 0.257 12.398 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.037 0.925 11.153 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.950 1.689 12.758 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.150 -2.054 15.526 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.306 -1.984 14.175 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.631 -2.512 13.887 1.00 0.00 H new ATOM 774 N LYS A 59 -9.965 2.010 10.655 1.00 0.00 N ATOM 775 CA LYS A 59 -9.937 2.419 9.231 1.00 0.00 C ATOM 776 C LYS A 59 -8.476 2.621 8.899 1.00 0.00 C ATOM 777 O LYS A 59 -7.749 3.259 9.622 1.00 0.00 O ATOM 778 CB LYS A 59 -10.710 3.716 9.004 1.00 0.00 C ATOM 779 CG LYS A 59 -11.692 3.951 10.155 1.00 0.00 C ATOM 780 CD LYS A 59 -12.272 5.363 10.053 1.00 0.00 C ATOM 781 CE LYS A 59 -13.442 5.364 9.067 1.00 0.00 C ATOM 782 NZ LYS A 59 -13.640 6.742 8.533 1.00 0.00 N ATOM 0 H LYS A 59 -9.562 2.684 11.306 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.407 1.665 8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.017 4.554 8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.251 3.666 8.059 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.494 3.214 10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.185 3.823 11.111 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.608 5.701 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.503 6.061 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.243 4.671 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.350 5.021 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.390 6.731 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.914 7.379 9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.754 7.079 8.105 1.00 0.00 H new ATOM 796 N TYR A 60 -8.038 2.055 7.838 1.00 0.00 N ATOM 797 CA TYR A 60 -6.603 2.173 7.473 1.00 0.00 C ATOM 798 C TYR A 60 -6.456 3.178 6.338 1.00 0.00 C ATOM 799 O TYR A 60 -6.649 2.851 5.190 1.00 0.00 O ATOM 800 CB TYR A 60 -6.098 0.808 7.024 1.00 0.00 C ATOM 801 CG TYR A 60 -5.750 -0.073 8.225 1.00 0.00 C ATOM 802 CD1 TYR A 60 -5.991 0.362 9.541 1.00 0.00 C ATOM 803 CD2 TYR A 60 -5.177 -1.340 8.017 1.00 0.00 C ATOM 804 CE1 TYR A 60 -5.660 -0.464 10.621 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.850 -2.156 9.101 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.090 -1.719 10.403 1.00 0.00 C ATOM 807 OH TYR A 60 -4.765 -2.528 11.472 1.00 0.00 O ATOM 0 H TYR A 60 -8.607 1.507 7.193 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.022 2.514 8.330 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.859 0.317 6.417 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.218 0.932 6.393 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.431 1.332 9.718 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.988 -1.684 7.011 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.847 -0.128 11.630 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.410 -3.128 8.931 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.379 -3.366 11.142 1.00 0.00 H new ATOM 817 N ILE A 61 -6.111 4.399 6.630 1.00 0.00 N ATOM 818 CA ILE A 61 -5.971 5.376 5.535 1.00 0.00 C ATOM 819 C ILE A 61 -4.494 5.544 5.234 1.00 0.00 C ATOM 820 O ILE A 61 -3.724 5.994 6.054 1.00 0.00 O ATOM 821 CB ILE A 61 -6.509 6.724 5.947 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.345 6.625 7.231 1.00 0.00 C ATOM 823 CG2 ILE A 61 -7.362 7.308 4.821 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.513 5.662 7.016 1.00 0.00 C ATOM 0 H ILE A 61 -5.924 4.753 7.568 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.525 5.014 4.669 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.660 7.379 6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.722 6.277 8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.720 7.610 7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.748 8.281 5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.752 7.422 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.195 6.637 4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.103 5.596 7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.142 6.028 6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.128 4.675 6.760 1.00 0.00 H new ATOM 836 N LEU A 62 -4.096 5.158 4.085 1.00 0.00 N ATOM 837 CA LEU A 62 -2.703 5.232 3.708 1.00 0.00 C ATOM 838 C LEU A 62 -2.513 6.125 2.500 1.00 0.00 C ATOM 839 O LEU A 62 -3.385 6.283 1.677 1.00 0.00 O ATOM 840 CB LEU A 62 -2.337 3.840 3.332 1.00 0.00 C ATOM 841 CG LEU A 62 -0.882 3.597 3.620 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.658 2.110 3.560 1.00 0.00 C ATOM 843 CD2 LEU A 62 -0.038 4.285 2.566 1.00 0.00 C ATOM 0 H LEU A 62 -4.710 4.779 3.365 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.096 5.639 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.950 3.131 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.540 3.675 2.274 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.605 3.990 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.390 1.891 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.283 1.618 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.918 1.743 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.018 4.110 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.286 3.885 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.238 5.356 2.582 1.00 0.00 H new ATOM 855 N GLN A 63 -1.352 6.661 2.367 1.00 0.00 N ATOM 856 CA GLN A 63 -1.038 7.483 1.194 1.00 0.00 C ATOM 857 C GLN A 63 0.406 7.243 0.872 1.00 0.00 C ATOM 858 O GLN A 63 1.237 7.102 1.743 1.00 0.00 O ATOM 859 CB GLN A 63 -1.174 8.947 1.465 1.00 0.00 C ATOM 860 CG GLN A 63 -2.622 9.402 1.283 1.00 0.00 C ATOM 861 CD GLN A 63 -3.353 9.351 2.626 1.00 0.00 C ATOM 862 OE1 GLN A 63 -3.155 8.442 3.405 1.00 0.00 O ATOM 863 NE2 GLN A 63 -4.197 10.299 2.931 1.00 0.00 N ATOM 0 H GLN A 63 -0.590 6.561 3.038 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.726 7.213 0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.845 9.165 2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.525 9.508 0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.647 10.416 0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.126 8.761 0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.364 11.063 2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.690 10.275 3.824 1.00 0.00 H new ATOM 872 N VAL A 64 0.711 7.244 -0.361 1.00 0.00 N ATOM 873 CA VAL A 64 2.127 7.046 -0.781 1.00 0.00 C ATOM 874 C VAL A 64 2.261 7.425 -2.261 1.00 0.00 C ATOM 875 O VAL A 64 1.383 7.152 -3.053 1.00 0.00 O ATOM 876 CB VAL A 64 2.585 5.560 -0.589 1.00 0.00 C ATOM 877 CG1 VAL A 64 1.939 4.924 0.640 1.00 0.00 C ATOM 878 CG2 VAL A 64 2.196 4.733 -1.800 1.00 0.00 C ATOM 0 H VAL A 64 0.047 7.374 -1.124 1.00 0.00 H new ATOM 0 HA VAL A 64 2.761 7.677 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 64 3.667 5.575 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.281 3.894 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.219 5.487 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.855 4.937 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.519 3.702 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.114 4.760 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.675 5.142 -2.689 1.00 0.00 H new ATOM 888 N GLU A 65 3.357 8.022 -2.646 1.00 0.00 N ATOM 889 CA GLU A 65 3.545 8.367 -4.085 1.00 0.00 C ATOM 890 C GLU A 65 4.074 7.119 -4.789 1.00 0.00 C ATOM 891 O GLU A 65 5.210 7.056 -5.175 1.00 0.00 O ATOM 892 CB GLU A 65 4.556 9.509 -4.221 1.00 0.00 C ATOM 893 CG GLU A 65 4.239 10.599 -3.195 1.00 0.00 C ATOM 894 CD GLU A 65 4.859 11.921 -3.649 1.00 0.00 C ATOM 895 OE1 GLU A 65 6.001 12.168 -3.298 1.00 0.00 O ATOM 896 OE2 GLU A 65 4.182 12.664 -4.340 1.00 0.00 O ATOM 0 H GLU A 65 4.127 8.285 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 65 2.603 8.691 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.567 9.133 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.520 9.922 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.160 10.709 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.630 10.318 -2.217 1.00 0.00 H new ATOM 903 N ILE A 66 3.229 6.135 -4.934 1.00 0.00 N ATOM 904 CA ILE A 66 3.609 4.825 -5.576 1.00 0.00 C ATOM 905 C ILE A 66 4.658 5.035 -6.661 1.00 0.00 C ATOM 906 O ILE A 66 4.777 6.079 -7.257 1.00 0.00 O ATOM 907 CB ILE A 66 2.354 4.192 -6.237 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.057 4.776 -5.679 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.296 2.683 -6.009 1.00 0.00 C ATOM 910 CD1 ILE A 66 0.920 4.352 -4.228 1.00 0.00 C ATOM 0 H ILE A 66 2.257 6.179 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 66 4.013 4.173 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 66 2.443 4.416 -7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.068 5.863 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.203 4.424 -6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.404 2.277 -6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.182 2.216 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.260 2.478 -4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.002 4.761 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.893 3.264 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.770 4.726 -3.658 1.00 0.00 H new ATOM 922 N GLY A 67 5.408 4.015 -6.927 1.00 0.00 N ATOM 923 CA GLY A 67 6.436 4.094 -7.985 1.00 0.00 C ATOM 924 C GLY A 67 6.388 2.777 -8.791 1.00 0.00 C ATOM 925 O GLY A 67 5.449 2.010 -8.662 1.00 0.00 O ATOM 0 H GLY A 67 5.351 3.116 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.248 4.947 -8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.424 4.238 -7.547 1.00 0.00 H new ATOM 929 N ARG A 68 7.367 2.483 -9.611 1.00 0.00 N ATOM 930 CA ARG A 68 7.296 1.217 -10.395 1.00 0.00 C ATOM 931 C ARG A 68 8.525 0.356 -10.127 1.00 0.00 C ATOM 932 O ARG A 68 9.339 0.672 -9.299 1.00 0.00 O ATOM 933 CB ARG A 68 7.226 1.551 -11.889 1.00 0.00 C ATOM 934 CG ARG A 68 6.561 2.918 -12.080 1.00 0.00 C ATOM 935 CD ARG A 68 6.157 3.096 -13.543 1.00 0.00 C ATOM 936 NE ARG A 68 6.653 4.410 -14.039 1.00 0.00 N ATOM 937 CZ ARG A 68 6.043 5.008 -15.025 1.00 0.00 C ATOM 938 NH1 ARG A 68 5.033 5.798 -14.786 1.00 0.00 N ATOM 939 NH2 ARG A 68 6.444 4.813 -16.252 1.00 0.00 N ATOM 0 H ARG A 68 8.197 3.055 -9.768 1.00 0.00 H new ATOM 0 HA ARG A 68 6.406 0.664 -10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.228 1.560 -12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.661 0.783 -12.417 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.684 2.999 -11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.247 3.711 -11.783 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.570 2.288 -14.146 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.073 3.044 -13.641 1.00 0.00 H new ATOM 0 HE ARG A 68 7.470 4.842 -13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.719 5.949 -13.827 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.557 6.265 -15.558 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.233 4.194 -16.438 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.968 5.280 -17.024 1.00 0.00 H new ATOM 953 N THR A 69 8.654 -0.727 -10.842 1.00 0.00 N ATOM 954 CA THR A 69 9.824 -1.631 -10.677 1.00 0.00 C ATOM 955 C THR A 69 9.986 -2.456 -11.958 1.00 0.00 C ATOM 956 O THR A 69 9.419 -3.526 -12.101 1.00 0.00 O ATOM 957 CB THR A 69 9.639 -2.523 -9.454 1.00 0.00 C ATOM 958 OG1 THR A 69 10.600 -3.570 -9.479 1.00 0.00 O ATOM 959 CG2 THR A 69 8.235 -3.121 -9.401 1.00 0.00 C ATOM 0 H THR A 69 7.983 -1.028 -11.548 1.00 0.00 H new ATOM 0 HA THR A 69 10.730 -1.048 -10.513 1.00 0.00 H new ATOM 0 HB THR A 69 9.777 -1.908 -8.565 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.346 -3.316 -10.062 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.141 -3.751 -8.516 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.499 -2.318 -9.355 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.061 -3.722 -10.294 1.00 0.00 H new ATOM 967 N THR A 70 10.731 -1.908 -12.899 1.00 0.00 N ATOM 968 CA THR A 70 10.968 -2.558 -14.237 1.00 0.00 C ATOM 969 C THR A 70 10.596 -4.046 -14.239 1.00 0.00 C ATOM 970 O THR A 70 9.496 -4.407 -14.585 1.00 0.00 O ATOM 971 CB THR A 70 12.447 -2.409 -14.656 1.00 0.00 C ATOM 972 OG1 THR A 70 12.759 -3.408 -15.616 1.00 0.00 O ATOM 973 CG2 THR A 70 13.396 -2.555 -13.453 1.00 0.00 C ATOM 0 H THR A 70 11.199 -1.008 -12.790 1.00 0.00 H new ATOM 0 HA THR A 70 10.322 -2.046 -14.950 1.00 0.00 H new ATOM 0 HB THR A 70 12.582 -1.412 -15.076 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.696 -3.319 -15.888 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.427 -2.444 -13.788 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.169 -1.785 -12.715 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.264 -3.539 -13.003 1.00 0.00 H new ATOM 1125 N GLU A 82 13.299 -3.909 -9.773 1.00 0.00 N ATOM 1126 CA GLU A 82 13.704 -2.568 -9.273 1.00 0.00 C ATOM 1127 C GLU A 82 13.001 -1.456 -10.060 1.00 0.00 C ATOM 1128 O GLU A 82 12.613 -1.620 -11.199 1.00 0.00 O ATOM 1129 CB GLU A 82 15.219 -2.410 -9.421 1.00 0.00 C ATOM 1130 CG GLU A 82 15.636 -2.794 -10.843 1.00 0.00 C ATOM 1131 CD GLU A 82 16.244 -4.198 -10.835 1.00 0.00 C ATOM 1132 OE1 GLU A 82 16.376 -4.760 -9.761 1.00 0.00 O ATOM 1133 OE2 GLU A 82 16.567 -4.688 -11.906 1.00 0.00 O ATOM 0 HA GLU A 82 13.417 -2.487 -8.225 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.510 -1.381 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.734 -3.041 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.772 -2.764 -11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.359 -2.075 -11.228 1.00 0.00 H new ATOM 1140 N PHE A 83 12.846 -0.322 -9.435 1.00 0.00 N ATOM 1141 CA PHE A 83 12.187 0.845 -10.083 1.00 0.00 C ATOM 1142 C PHE A 83 12.787 1.103 -11.479 1.00 0.00 C ATOM 1143 O PHE A 83 12.579 0.337 -12.393 1.00 0.00 O ATOM 1144 CB PHE A 83 12.378 2.032 -9.170 1.00 0.00 C ATOM 1145 CG PHE A 83 11.267 2.014 -8.151 1.00 0.00 C ATOM 1146 CD1 PHE A 83 10.968 0.833 -7.449 1.00 0.00 C ATOM 1147 CD2 PHE A 83 10.532 3.171 -7.913 1.00 0.00 C ATOM 1148 CE1 PHE A 83 9.925 0.823 -6.512 1.00 0.00 C ATOM 1149 CE2 PHE A 83 9.492 3.162 -6.982 1.00 0.00 C ATOM 1150 CZ PHE A 83 9.184 1.994 -6.280 1.00 0.00 C ATOM 0 H PHE A 83 13.157 -0.152 -8.478 1.00 0.00 H new ATOM 0 HA PHE A 83 11.124 0.657 -10.232 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.349 1.982 -8.677 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.357 2.960 -9.741 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.540 -0.064 -7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.767 4.078 -8.450 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.692 -0.082 -5.970 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.923 4.062 -6.803 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.378 1.991 -5.561 1.00 0.00 H new ATOM 1160 N HIS A 84 13.540 2.152 -11.666 1.00 0.00 N ATOM 1161 CA HIS A 84 14.134 2.385 -13.016 1.00 0.00 C ATOM 1162 C HIS A 84 15.623 2.628 -12.851 1.00 0.00 C ATOM 1163 O HIS A 84 16.181 3.580 -13.358 1.00 0.00 O ATOM 1164 CB HIS A 84 13.479 3.589 -13.704 1.00 0.00 C ATOM 1165 CG HIS A 84 11.990 3.570 -13.482 1.00 0.00 C ATOM 1166 ND1 HIS A 84 11.226 3.350 -12.363 1.00 0.00 N flip ATOM 1167 CD2 HIS A 84 11.092 3.800 -14.512 1.00 0.00 C flip ATOM 1168 CE1 HIS A 84 9.877 3.443 -12.691 1.00 0.00 C flip ATOM 1169 NE2 HIS A 84 9.852 3.715 -13.997 1.00 0.00 N flip ATOM 0 H HIS A 84 13.768 2.848 -10.957 1.00 0.00 H new ATOM 0 HA HIS A 84 13.961 1.510 -13.642 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.900 4.515 -13.312 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.695 3.568 -14.772 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.342 4.010 -15.542 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.031 3.321 -12.030 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.997 3.843 -14.539 1.00 0.00 H new ATOM 1177 N ASP A 85 16.261 1.758 -12.136 1.00 0.00 N ATOM 1178 CA ASP A 85 17.723 1.888 -11.902 1.00 0.00 C ATOM 1179 C ASP A 85 18.045 3.264 -11.299 1.00 0.00 C ATOM 1180 O ASP A 85 19.189 3.670 -11.258 1.00 0.00 O ATOM 1181 CB ASP A 85 18.462 1.733 -13.233 1.00 0.00 C ATOM 1182 CG ASP A 85 19.884 1.232 -12.971 1.00 0.00 C ATOM 1183 OD1 ASP A 85 20.033 0.330 -12.163 1.00 0.00 O ATOM 1184 OD2 ASP A 85 20.798 1.758 -13.584 1.00 0.00 O ATOM 0 H ASP A 85 15.828 0.947 -11.694 1.00 0.00 H new ATOM 0 HA ASP A 85 18.042 1.113 -11.206 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.931 1.032 -13.877 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.492 2.688 -13.758 1.00 0.00 H new ATOM 1189 N GLU A 86 17.052 3.984 -10.827 1.00 0.00 N ATOM 1190 CA GLU A 86 17.315 5.331 -10.229 1.00 0.00 C ATOM 1191 C GLU A 86 16.020 6.157 -10.213 1.00 0.00 C ATOM 1192 O GLU A 86 15.003 5.727 -10.719 1.00 0.00 O ATOM 1193 CB GLU A 86 18.364 6.069 -11.066 1.00 0.00 C ATOM 1194 CG GLU A 86 19.665 6.179 -10.269 1.00 0.00 C ATOM 1195 CD GLU A 86 20.350 7.510 -10.590 1.00 0.00 C ATOM 1196 OE1 GLU A 86 19.802 8.259 -11.381 1.00 0.00 O ATOM 1197 OE2 GLU A 86 21.410 7.755 -10.039 1.00 0.00 O ATOM 0 H GLU A 86 16.073 3.696 -10.831 1.00 0.00 H new ATOM 0 HA GLU A 86 17.679 5.200 -9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.541 5.536 -12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.001 7.062 -11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.456 6.114 -9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.326 5.349 -10.516 1.00 0.00 H new ATOM 1204 N PRO A 87 16.111 7.329 -9.631 1.00 0.00 N ATOM 1205 CA PRO A 87 14.972 8.293 -9.515 1.00 0.00 C ATOM 1206 C PRO A 87 14.830 9.109 -10.799 1.00 0.00 C ATOM 1207 O PRO A 87 13.749 9.504 -11.195 1.00 0.00 O ATOM 1208 CB PRO A 87 15.396 9.183 -8.354 1.00 0.00 C ATOM 1209 CG PRO A 87 16.917 9.109 -8.262 1.00 0.00 C ATOM 1210 CD PRO A 87 17.369 7.848 -9.007 1.00 0.00 C ATOM 0 HA PRO A 87 14.008 7.810 -9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.070 10.210 -8.517 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.937 8.847 -7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.370 9.997 -8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.236 9.072 -7.220 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.123 8.077 -9.760 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.809 7.118 -8.327 1.00 0.00 H new ATOM 1218 N GLU A 88 15.931 9.366 -11.436 1.00 0.00 N ATOM 1219 CA GLU A 88 15.934 10.174 -12.691 1.00 0.00 C ATOM 1220 C GLU A 88 14.842 9.720 -13.671 1.00 0.00 C ATOM 1221 O GLU A 88 14.506 10.444 -14.587 1.00 0.00 O ATOM 1222 CB GLU A 88 17.301 10.044 -13.365 1.00 0.00 C ATOM 1223 CG GLU A 88 17.251 10.681 -14.755 1.00 0.00 C ATOM 1224 CD GLU A 88 18.662 10.743 -15.340 1.00 0.00 C ATOM 1225 OE1 GLU A 88 19.463 11.506 -14.824 1.00 0.00 O ATOM 1226 OE2 GLU A 88 18.920 10.026 -16.294 1.00 0.00 O ATOM 0 H GLU A 88 16.852 9.045 -11.137 1.00 0.00 H new ATOM 0 HA GLU A 88 15.731 11.211 -12.423 1.00 0.00 H new ATOM 0 HB2 GLU A 88 18.065 10.531 -12.758 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.580 8.993 -13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.600 10.101 -15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.828 11.684 -14.692 1.00 0.00 H new ATOM 1233 N LEU A 89 14.279 8.550 -13.519 1.00 0.00 N ATOM 1234 CA LEU A 89 13.231 8.133 -14.482 1.00 0.00 C ATOM 1235 C LEU A 89 12.286 7.144 -13.809 1.00 0.00 C ATOM 1236 O LEU A 89 11.849 6.183 -14.409 1.00 0.00 O ATOM 1237 CB LEU A 89 13.885 7.491 -15.713 1.00 0.00 C ATOM 1238 CG LEU A 89 14.460 6.116 -15.358 1.00 0.00 C ATOM 1239 CD1 LEU A 89 15.218 5.561 -16.565 1.00 0.00 C ATOM 1240 CD2 LEU A 89 15.419 6.245 -14.174 1.00 0.00 C ATOM 0 H LEU A 89 14.497 7.879 -12.782 1.00 0.00 H new ATOM 0 HA LEU A 89 12.662 9.005 -14.802 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.150 7.389 -16.511 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.678 8.137 -16.090 1.00 0.00 H new ATOM 0 HG LEU A 89 13.646 5.442 -15.090 1.00 0.00 H new ATOM 0 HD11 LEU A 89 15.629 4.582 -16.318 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.536 5.465 -17.410 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.029 6.240 -16.829 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.825 5.264 -13.926 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.234 6.919 -14.438 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.883 6.644 -13.313 1.00 0.00 H new ATOM 1252 N ALA A 90 11.930 7.385 -12.574 1.00 0.00 N ATOM 1253 CA ALA A 90 10.988 6.469 -11.905 1.00 0.00 C ATOM 1254 C ALA A 90 9.883 7.305 -11.281 1.00 0.00 C ATOM 1255 O ALA A 90 9.748 7.364 -10.078 1.00 0.00 O ATOM 1256 CB ALA A 90 11.674 5.647 -10.813 1.00 0.00 C ATOM 0 H ALA A 90 12.253 8.172 -12.012 1.00 0.00 H new ATOM 0 HA ALA A 90 10.592 5.772 -12.643 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.946 4.985 -10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.474 5.053 -11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.091 6.317 -10.061 1.00 0.00 H new ATOM 1262 N LYS A 91 9.113 7.980 -12.087 1.00 0.00 N ATOM 1263 CA LYS A 91 8.039 8.830 -11.546 1.00 0.00 C ATOM 1264 C LYS A 91 7.228 8.039 -10.543 1.00 0.00 C ATOM 1265 O LYS A 91 7.544 6.927 -10.172 1.00 0.00 O ATOM 1266 CB LYS A 91 7.103 9.321 -12.655 1.00 0.00 C ATOM 1267 CG LYS A 91 7.872 9.488 -13.969 1.00 0.00 C ATOM 1268 CD LYS A 91 7.203 10.573 -14.817 1.00 0.00 C ATOM 1269 CE LYS A 91 8.163 11.028 -15.917 1.00 0.00 C ATOM 1270 NZ LYS A 91 7.433 11.890 -16.889 1.00 0.00 N ATOM 0 H LYS A 91 9.189 7.974 -13.104 1.00 0.00 H new ATOM 0 HA LYS A 91 8.502 9.695 -11.071 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.287 8.611 -12.792 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.654 10.271 -12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.908 9.758 -13.765 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.890 8.545 -14.515 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.284 10.188 -15.259 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.925 11.420 -14.189 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.997 11.578 -15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.584 10.162 -16.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.086 12.199 -17.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.652 11.350 -17.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.051 12.723 -16.396 1.00 0.00 H new ATOM 1284 N TYR A 92 6.206 8.642 -10.080 1.00 0.00 N ATOM 1285 CA TYR A 92 5.364 8.024 -9.065 1.00 0.00 C ATOM 1286 C TYR A 92 3.912 8.460 -9.247 1.00 0.00 C ATOM 1287 O TYR A 92 3.580 9.253 -10.106 1.00 0.00 O ATOM 1288 CB TYR A 92 5.902 8.542 -7.752 1.00 0.00 C ATOM 1289 CG TYR A 92 7.397 8.302 -7.701 1.00 0.00 C ATOM 1290 CD1 TYR A 92 7.893 7.015 -7.448 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.290 9.362 -7.915 1.00 0.00 C ATOM 1292 CE1 TYR A 92 9.274 6.790 -7.407 1.00 0.00 C ATOM 1293 CE2 TYR A 92 9.671 9.135 -7.874 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.163 7.849 -7.619 1.00 0.00 C ATOM 1295 OH TYR A 92 11.524 7.627 -7.580 1.00 0.00 O ATOM 0 H TYR A 92 5.907 9.572 -10.373 1.00 0.00 H new ATOM 0 HA TYR A 92 5.381 6.936 -9.120 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.688 9.606 -7.651 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.411 8.038 -6.919 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.208 6.196 -7.284 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.912 10.354 -8.112 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.653 5.798 -7.212 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.357 9.952 -8.039 1.00 0.00 H new ATOM 0 HH TYR A 92 11.998 8.468 -7.749 1.00 0.00 H new ATOM 1305 N THR A 93 3.058 7.943 -8.425 1.00 0.00 N ATOM 1306 CA THR A 93 1.618 8.288 -8.481 1.00 0.00 C ATOM 1307 C THR A 93 1.108 8.407 -7.045 1.00 0.00 C ATOM 1308 O THR A 93 1.644 7.802 -6.131 1.00 0.00 O ATOM 1309 CB THR A 93 0.852 7.190 -9.231 1.00 0.00 C ATOM 1310 OG1 THR A 93 -0.405 7.696 -9.656 1.00 0.00 O ATOM 1311 CG2 THR A 93 0.636 5.982 -8.317 1.00 0.00 C ATOM 0 H THR A 93 3.303 7.275 -7.694 1.00 0.00 H new ATOM 0 HA THR A 93 1.468 9.229 -9.009 1.00 0.00 H new ATOM 0 HB THR A 93 1.433 6.879 -10.099 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.894 6.996 -10.137 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.092 5.209 -8.859 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.602 5.590 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.061 6.286 -7.442 1.00 0.00 H new ATOM 1319 N THR A 94 0.088 9.181 -6.834 1.00 0.00 N ATOM 1320 CA THR A 94 -0.445 9.349 -5.454 1.00 0.00 C ATOM 1321 C THR A 94 -1.593 8.381 -5.226 1.00 0.00 C ATOM 1322 O THR A 94 -2.653 8.505 -5.808 1.00 0.00 O ATOM 1323 CB THR A 94 -0.935 10.786 -5.260 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.112 11.689 -5.585 1.00 0.00 O ATOM 1325 CG2 THR A 94 -1.353 10.990 -3.802 1.00 0.00 C ATOM 0 H THR A 94 -0.403 9.707 -7.557 1.00 0.00 H new ATOM 0 HA THR A 94 0.348 9.141 -4.736 1.00 0.00 H new ATOM 0 HB THR A 94 -1.790 10.971 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.201 12.610 -5.463 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.702 12.013 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.156 10.296 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.499 10.806 -3.150 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.388 7.412 -4.385 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.465 6.433 -4.122 1.00 0.00 C ATOM 1335 C CYS A 95 -2.868 6.473 -2.654 1.00 0.00 C ATOM 1336 O CYS A 95 -2.070 6.782 -1.775 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.963 5.038 -4.445 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.354 3.884 -4.470 1.00 0.00 S ATOM 0 H CYS A 95 -0.521 7.258 -3.870 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.325 6.683 -4.743 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.459 5.037 -5.411 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.230 4.723 -3.702 1.00 0.00 H new ATOM 1343 N THR A 96 -4.101 6.134 -2.394 1.00 0.00 N ATOM 1344 CA THR A 96 -4.604 6.106 -1.002 1.00 0.00 C ATOM 1345 C THR A 96 -5.217 4.728 -0.738 1.00 0.00 C ATOM 1346 O THR A 96 -5.966 4.203 -1.545 1.00 0.00 O ATOM 1347 CB THR A 96 -5.676 7.182 -0.814 1.00 0.00 C ATOM 1348 OG1 THR A 96 -5.231 8.401 -1.391 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.936 7.383 0.679 1.00 0.00 C ATOM 0 H THR A 96 -4.787 5.872 -3.102 1.00 0.00 H new ATOM 0 HA THR A 96 -3.785 6.297 -0.308 1.00 0.00 H new ATOM 0 HB THR A 96 -6.598 6.869 -1.303 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.918 9.089 -1.272 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.699 8.149 0.815 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.279 6.446 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.015 7.697 1.170 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.902 4.140 0.380 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.454 2.796 0.707 1.00 0.00 C ATOM 1359 C PHE A 97 -6.439 2.917 1.869 1.00 0.00 C ATOM 1360 O PHE A 97 -6.179 3.587 2.841 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.311 1.855 1.104 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.336 1.711 -0.063 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.805 1.746 -1.394 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.968 1.493 0.172 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.918 1.568 -2.457 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -1.093 1.306 -0.895 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.560 1.342 -2.207 1.00 0.00 C ATOM 0 H PHE A 97 -4.282 4.535 1.087 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.969 2.395 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.792 2.246 1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.710 0.879 1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.854 1.911 -1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.593 1.470 1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.280 1.605 -3.474 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.044 1.132 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.875 1.196 -3.029 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.568 2.274 1.793 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.530 2.375 2.919 1.00 0.00 C ATOM 1379 C VAL A 98 -8.868 0.955 3.374 1.00 0.00 C ATOM 1380 O VAL A 98 -9.649 0.261 2.753 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.776 3.123 2.438 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -11.006 2.699 3.245 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.556 4.629 2.608 1.00 0.00 C ATOM 0 H VAL A 98 -7.863 1.690 1.010 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.110 2.926 3.760 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.946 2.883 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.881 3.242 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.169 1.628 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.845 2.924 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.441 5.167 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.377 4.854 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.693 4.939 2.019 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.250 0.500 4.429 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.497 -0.891 4.890 1.00 0.00 C ATOM 1395 C VAL A 99 -9.210 -0.905 6.243 1.00 0.00 C ATOM 1396 O VAL A 99 -8.712 -0.405 7.226 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.143 -1.617 4.986 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.091 -2.510 6.232 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -6.964 -2.460 3.733 1.00 0.00 C ATOM 0 H VAL A 99 -7.585 1.033 4.990 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.146 -1.400 4.177 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.340 -0.884 5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.125 -3.013 6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.225 -1.898 7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.886 -3.254 6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.009 -2.984 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.774 -3.187 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.981 -1.815 2.855 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.351 -1.525 6.311 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.058 -1.601 7.614 1.00 0.00 C ATOM 1411 C TYR A 100 -10.519 -2.807 8.383 1.00 0.00 C ATOM 1412 O TYR A 100 -10.491 -3.913 7.881 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.559 -1.744 7.386 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.294 -0.971 8.452 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.396 0.421 8.351 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -13.867 -1.638 9.541 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.069 1.147 9.337 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -14.542 -0.911 10.527 1.00 0.00 C ATOM 1419 CZ TYR A 100 -14.642 0.482 10.426 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.309 1.198 11.398 1.00 0.00 O ATOM 0 H TYR A 100 -10.821 -1.979 5.528 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.888 -0.690 8.188 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.827 -1.370 6.398 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -12.846 -2.795 7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.954 0.935 7.510 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -13.788 -2.712 9.620 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.147 2.221 9.258 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -14.986 -1.424 11.367 1.00 0.00 H new ATOM 0 HH TYR A 100 -15.465 0.625 12.177 1.00 0.00 H new ATOM 1430 N SER A 101 -10.062 -2.601 9.586 1.00 0.00 N ATOM 1431 CA SER A 101 -9.496 -3.710 10.375 1.00 0.00 C ATOM 1432 C SER A 101 -10.345 -3.863 11.654 1.00 0.00 C ATOM 1433 O SER A 101 -10.394 -2.973 12.482 1.00 0.00 O ATOM 1434 CB SER A 101 -8.032 -3.321 10.683 1.00 0.00 C ATOM 1435 OG SER A 101 -7.913 -1.908 10.679 1.00 0.00 O ATOM 0 H SER A 101 -10.060 -1.696 10.056 1.00 0.00 H new ATOM 0 HA SER A 101 -9.510 -4.667 9.854 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.734 -3.720 11.652 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.364 -3.756 9.940 1.00 0.00 H new ATOM 0 HG SER A 101 -7.066 -1.652 10.257 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.048 -4.971 11.807 1.00 0.00 N ATOM 1442 CA ILE A 102 -11.907 -5.155 13.026 1.00 0.00 C ATOM 1443 C ILE A 102 -11.323 -6.250 13.923 1.00 0.00 C ATOM 1444 O ILE A 102 -11.348 -7.413 13.557 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.328 -5.603 12.644 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.074 -4.453 11.968 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.075 -6.015 13.922 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.464 -4.935 11.547 1.00 0.00 C ATOM 0 H ILE A 102 -11.062 -5.747 11.145 1.00 0.00 H new ATOM 0 HA ILE A 102 -11.939 -4.195 13.541 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.273 -6.444 11.953 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -14.160 -3.608 12.651 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.518 -4.104 11.098 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.085 -6.335 13.666 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -13.545 -6.836 14.404 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -14.125 -5.166 14.604 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -16.001 -4.119 11.064 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.365 -5.767 10.850 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.017 -5.263 12.427 1.00 0.00 H new ATOM 1460 N PRO A 103 -10.874 -5.873 15.092 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.351 -6.843 16.094 1.00 0.00 C ATOM 1462 C PRO A 103 -11.515 -7.693 16.610 1.00 0.00 C ATOM 1463 O PRO A 103 -12.628 -7.558 16.157 1.00 0.00 O ATOM 1464 CB PRO A 103 -9.769 -5.952 17.185 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.465 -4.609 17.053 1.00 0.00 C ATOM 1466 CD PRO A 103 -10.811 -4.455 15.573 1.00 0.00 C ATOM 0 HA PRO A 103 -9.606 -7.538 15.706 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.939 -6.383 18.171 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.691 -5.845 17.066 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.364 -4.573 17.669 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.817 -3.799 17.388 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -11.760 -3.939 15.432 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.054 -3.881 15.039 1.00 0.00 H new ATOM 1474 N TRP A 104 -11.245 -8.584 17.520 1.00 0.00 N ATOM 1475 CA TRP A 104 -12.295 -9.502 18.088 1.00 0.00 C ATOM 1476 C TRP A 104 -12.839 -10.462 17.011 1.00 0.00 C ATOM 1477 O TRP A 104 -13.524 -11.414 17.322 1.00 0.00 O ATOM 1478 CB TRP A 104 -13.441 -8.703 18.758 1.00 0.00 C ATOM 1479 CG TRP A 104 -14.440 -8.185 17.762 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -15.308 -8.938 17.039 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -14.707 -6.798 17.392 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -16.064 -8.103 16.238 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -15.730 -6.779 16.415 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -14.156 -5.568 17.795 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.189 -5.586 15.858 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -14.619 -4.365 17.238 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -15.632 -4.376 16.270 1.00 0.00 C ATOM 0 H TRP A 104 -10.314 -8.725 17.912 1.00 0.00 H new ATOM 0 HA TRP A 104 -11.820 -10.106 18.861 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.950 -9.341 19.480 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -13.019 -7.866 19.314 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.394 -10.014 17.083 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -16.784 -8.429 15.593 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.372 -5.549 18.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -16.970 -5.599 15.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -14.192 -3.426 17.558 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -15.981 -3.447 15.843 1.00 0.00 H new ATOM 1498 N LEU A 105 -12.560 -10.218 15.754 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.067 -11.082 14.683 1.00 0.00 C ATOM 1500 C LEU A 105 -12.015 -11.190 13.574 1.00 0.00 C ATOM 1501 O LEU A 105 -12.309 -11.659 12.493 1.00 0.00 O ATOM 1502 CB LEU A 105 -14.254 -10.353 14.137 1.00 0.00 C ATOM 1503 CG LEU A 105 -15.523 -11.204 14.103 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -15.563 -12.010 12.803 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -15.582 -12.154 15.302 1.00 0.00 C ATOM 0 H LEU A 105 -11.989 -9.436 15.435 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.305 -12.084 15.040 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.436 -9.465 14.742 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.028 -10.010 13.128 1.00 0.00 H new ATOM 0 HG LEU A 105 -16.385 -10.539 14.153 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.468 -12.617 12.779 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.560 -11.329 11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.689 -12.659 12.751 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.495 -12.747 15.252 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -14.717 -12.817 15.284 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -15.576 -11.575 16.226 1.00 0.00 H new ATOM 1517 N ASN A 106 -10.800 -10.753 13.831 1.00 0.00 N ATOM 1518 CA ASN A 106 -9.734 -10.809 12.796 1.00 0.00 C ATOM 1519 C ASN A 106 -10.349 -10.595 11.415 1.00 0.00 C ATOM 1520 O ASN A 106 -10.228 -11.417 10.529 1.00 0.00 O ATOM 1521 CB ASN A 106 -9.059 -12.165 12.883 1.00 0.00 C ATOM 1522 CG ASN A 106 -7.685 -12.104 12.212 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -6.963 -11.138 12.366 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -7.292 -13.100 11.468 1.00 0.00 N ATOM 0 H ASN A 106 -10.508 -10.358 14.725 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.995 -10.025 12.961 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.952 -12.462 13.926 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.677 -12.921 12.399 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.379 -13.069 11.015 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.898 -13.910 11.339 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.038 -9.499 11.243 1.00 0.00 N ATOM 1532 CA GLN A 107 -11.698 -9.232 9.935 1.00 0.00 C ATOM 1533 C GLN A 107 -11.063 -8.026 9.241 1.00 0.00 C ATOM 1534 O GLN A 107 -11.443 -6.895 9.462 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.184 -8.954 10.168 1.00 0.00 C ATOM 1536 CG GLN A 107 -14.017 -10.082 9.556 1.00 0.00 C ATOM 1537 CD GLN A 107 -14.338 -9.748 8.098 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -13.577 -9.072 7.435 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -15.442 -10.198 7.567 1.00 0.00 N ATOM 0 H GLN A 107 -11.172 -8.778 11.952 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.573 -10.107 9.297 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.387 -8.876 11.236 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.461 -7.999 9.720 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.471 -11.023 9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.940 -10.215 10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.081 -10.766 8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.666 -9.982 6.596 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.114 -8.269 8.381 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.465 -7.154 7.641 1.00 0.00 C ATOM 1550 C ILE A 108 -10.068 -7.124 6.228 1.00 0.00 C ATOM 1551 O ILE A 108 -10.278 -8.156 5.620 1.00 0.00 O ATOM 1552 CB ILE A 108 -7.943 -7.411 7.606 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.209 -6.208 8.218 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.454 -7.664 6.169 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -5.809 -6.060 7.621 1.00 0.00 C ATOM 0 H ILE A 108 -9.759 -9.199 8.158 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.634 -6.189 8.119 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.726 -8.305 8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.782 -5.298 8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.136 -6.333 9.298 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.379 -7.842 6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.963 -8.537 5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -7.673 -6.793 5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.311 -5.201 8.071 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.231 -6.962 7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -5.887 -5.911 6.544 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.361 -5.968 5.699 1.00 0.00 N ATOM 1568 CA LYS A 109 -10.960 -5.928 4.334 1.00 0.00 C ATOM 1569 C LYS A 109 -10.539 -4.655 3.600 1.00 0.00 C ATOM 1570 O LYS A 109 -10.353 -3.609 4.194 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.482 -5.972 4.447 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.079 -6.452 3.122 1.00 0.00 C ATOM 1573 CD LYS A 109 -13.596 -5.253 2.326 1.00 0.00 C ATOM 1574 CE LYS A 109 -15.023 -5.530 1.852 1.00 0.00 C ATOM 1575 NZ LYS A 109 -15.954 -4.541 2.467 1.00 0.00 N ATOM 0 H LYS A 109 -10.215 -5.062 6.144 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.605 -6.790 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.778 -6.641 5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.868 -4.983 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.325 -6.986 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.892 -7.153 3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.575 -4.356 2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.948 -5.065 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.075 -5.467 0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.318 -6.543 2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.924 -4.730 2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.912 -4.622 3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.676 -3.580 2.184 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.394 -4.741 2.304 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.991 -3.548 1.510 1.00 0.00 C ATOM 1591 C LEU A 110 -11.206 -2.668 1.263 1.00 0.00 C ATOM 1592 O LEU A 110 -12.332 -3.089 1.437 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.400 -4.000 0.174 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.525 -2.888 -0.415 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.708 -2.216 0.692 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.571 -3.496 -1.435 1.00 0.00 C ATOM 0 H LEU A 110 -10.539 -5.592 1.760 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.242 -2.980 2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.807 -4.904 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.201 -4.250 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.164 -2.144 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.090 -1.428 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.383 -1.785 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.068 -2.956 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.944 -2.712 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.941 -4.239 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.144 -3.973 -2.230 1.00 0.00 H new ATOM 1608 N LEU A 111 -11.000 -1.441 0.871 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.175 -0.558 0.637 1.00 0.00 C ATOM 1610 C LEU A 111 -11.828 0.547 -0.350 1.00 0.00 C ATOM 1611 O LEU A 111 -12.063 0.441 -1.537 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.604 0.066 1.964 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.879 -0.618 2.463 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.589 -1.337 3.782 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.966 0.435 2.683 1.00 0.00 C ATOM 0 H LEU A 111 -10.087 -1.018 0.705 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.987 -1.155 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.809 -0.041 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.778 1.134 1.836 1.00 0.00 H new ATOM 0 HG LEU A 111 -14.218 -1.343 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.497 -1.824 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.813 -2.086 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.251 -0.614 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.875 -0.050 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.627 1.159 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.172 0.948 1.743 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.293 1.619 0.144 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.949 2.762 -0.754 1.00 0.00 C ATOM 1629 C GLU A 112 -9.465 2.728 -1.137 1.00 0.00 C ATOM 1630 O GLU A 112 -8.681 3.545 -0.696 1.00 0.00 O ATOM 1631 CB GLU A 112 -11.266 4.084 -0.047 1.00 0.00 C ATOM 1632 CG GLU A 112 -12.474 4.744 -0.716 1.00 0.00 C ATOM 1633 CD GLU A 112 -12.553 6.212 -0.292 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -12.556 6.463 0.903 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -12.609 7.059 -1.167 1.00 0.00 O ATOM 0 H GLU A 112 -11.076 1.760 1.131 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.543 2.678 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.474 3.904 1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.403 4.749 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.387 4.672 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.389 4.223 -0.434 1.00 0.00 H new ATOM 1642 N SER A 113 -9.084 1.809 -1.981 1.00 0.00 N ATOM 1643 CA SER A 113 -7.661 1.738 -2.427 1.00 0.00 C ATOM 1644 C SER A 113 -7.604 2.177 -3.888 1.00 0.00 C ATOM 1645 O SER A 113 -7.836 1.396 -4.791 1.00 0.00 O ATOM 1646 CB SER A 113 -7.144 0.304 -2.299 1.00 0.00 C ATOM 1647 OG SER A 113 -8.187 -0.535 -1.826 1.00 0.00 O ATOM 0 H SER A 113 -9.698 1.101 -2.383 1.00 0.00 H new ATOM 0 HA SER A 113 -7.039 2.386 -1.809 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.786 -0.052 -3.265 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.297 0.271 -1.613 1.00 0.00 H new ATOM 0 HG SER A 113 -8.475 -1.136 -2.545 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.316 3.425 -4.132 1.00 0.00 N ATOM 1654 CA LYS A 114 -7.271 3.910 -5.542 1.00 0.00 C ATOM 1655 C LYS A 114 -5.978 4.685 -5.788 1.00 0.00 C ATOM 1656 O LYS A 114 -5.542 5.463 -4.967 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.469 4.826 -5.800 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.651 5.019 -7.308 1.00 0.00 C ATOM 1659 CD LYS A 114 -9.950 5.783 -7.571 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.172 5.912 -9.079 1.00 0.00 C ATOM 1661 NZ LYS A 114 -11.405 6.709 -9.332 1.00 0.00 N ATOM 0 H LYS A 114 -7.111 4.127 -3.422 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.308 3.054 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.371 4.393 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.314 5.790 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.804 5.568 -7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.678 4.051 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -10.790 5.261 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.901 6.772 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.312 6.394 -9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.266 4.924 -9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -11.557 6.797 -10.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.222 6.231 -8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -11.298 7.656 -8.915 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.363 4.479 -6.920 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.099 5.203 -7.224 1.00 0.00 C ATOM 1677 C CYS A 115 -4.283 6.046 -8.488 1.00 0.00 C ATOM 1678 O CYS A 115 -4.916 5.630 -9.438 1.00 0.00 O ATOM 1679 CB CYS A 115 -2.981 4.185 -7.446 1.00 0.00 C ATOM 1680 SG CYS A 115 -3.117 2.877 -6.203 1.00 0.00 S ATOM 0 H CYS A 115 -5.682 3.840 -7.648 1.00 0.00 H new ATOM 0 HA CYS A 115 -3.840 5.857 -6.391 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.052 3.761 -8.448 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.009 4.672 -7.374 1.00 0.00 H new ATOM 1685 N GLN A 116 -3.734 7.231 -8.508 1.00 0.00 N ATOM 1686 CA GLN A 116 -3.877 8.099 -9.710 1.00 0.00 C ATOM 1687 C GLN A 116 -3.083 9.390 -9.505 1.00 0.00 C ATOM 1688 CB GLN A 116 -5.354 8.438 -9.920 1.00 0.00 C ATOM 1689 CG GLN A 116 -5.501 9.328 -11.157 1.00 0.00 C ATOM 1690 CD GLN A 116 -5.949 8.480 -12.349 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -6.802 7.626 -12.213 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -5.406 8.682 -13.518 1.00 0.00 N ATOM 0 H GLN A 116 -3.193 7.634 -7.743 1.00 0.00 H new ATOM 0 HA GLN A 116 -3.496 7.573 -10.585 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -5.934 7.524 -10.045 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -5.750 8.949 -9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.228 10.117 -10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -4.553 9.816 -11.381 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -4.690 9.400 -13.631 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -5.698 8.122 -14.319 1.00 0.00 H new