USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 963 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 63 HIS : no HE2:sc= -0.903 K(o=-0.9,f=-3.3!) USER MOD Set 1.2: A 141 LYS NZ :NH3+ -114:sc= 0.00596 (180deg=-0.979) USER MOD Set 2.1: A 83 LYS NZ :NH3+ -176:sc= -0.673 (180deg=-0.787) USER MOD Set 2.2: A 124 HIS : no HD1:sc= 0.188 K(o=-0.48,f=-2.2) USER MOD Set 3.1: A 24 SER OG : rot -75:sc= 0.0736 USER MOD Set 3.2: A 40 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.738 X(o=-0.74,f=-1.2) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS :FLIP no HE2:sc= -4.94! C(o=-6.3!,f=-4.9!) USER MOD Single : A 28 ASN : amide:sc= -4.06 X(o=-4.1,f=-4.1) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.141 (180deg=-0.837) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 36 THR OG1 : rot 43:sc= 1.16 USER MOD Single : A 38 MET CE :methyl 177:sc= -0.71 (180deg=-0.717) USER MOD Single : A 41 TYR OH : rot 174:sc= -0.053 USER MOD Single : A 43 SER OG : rot -120:sc= 1.79 USER MOD Single : A 44 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.26) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.33 K(o=-0.33,f=-3!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 52 GLN :FLIP amide:sc=-0.00736 F(o=-1,f=-0.0074) USER MOD Single : A 53 MET CE :methyl -137:sc= -2.04 (180deg=-4.75!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -56:sc= -0.684 USER MOD Single : A 61 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.009) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00859 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 72 GLN : amide:sc= -2.56 K(o=-2.6,f=-5.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 128:sc= 1.34 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.4!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 136:sc= -2.27 (180deg=-4.78!) USER MOD Single : A 97 TYR OH : rot -94:sc= 1.23 USER MOD Single : A 98 SER OG : rot -77:sc= -2.99! USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= -0.0228 (180deg=-0.288) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 142:sc= -0.163 (180deg=-1.8!) USER MOD Single : A 120 THR OG1 : rot -48:sc= 1.15 USER MOD Single : A 130 LYS NZ :NH3+ 156:sc= -0.0855 (180deg=-0.56) USER MOD Single : A 134 SER OG : rot -89:sc= -2.05 USER MOD Single : A 135 LYS NZ :NH3+ 177:sc= -1.44 (180deg=-1.49) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 5.361 -3.347 7.167 1.00 0.00 N ATOM 107 CA PRO A 9 4.212 -3.604 6.231 1.00 0.00 C ATOM 108 C PRO A 9 3.365 -4.787 6.688 1.00 0.00 C ATOM 109 O PRO A 9 3.867 -5.699 7.353 1.00 0.00 O ATOM 110 CB PRO A 9 4.894 -3.912 4.896 1.00 0.00 C ATOM 111 CG PRO A 9 6.230 -4.458 5.268 1.00 0.00 C ATOM 112 CD PRO A 9 6.660 -3.700 6.519 1.00 0.00 C ATOM 0 HA PRO A 9 3.526 -2.759 6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.319 -4.634 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.990 -3.015 4.284 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.174 -5.529 5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.948 -4.317 4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.280 -4.316 7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.241 -2.812 6.272 1.00 0.00 H new ATOM 120 N THR A 10 2.074 -4.753 6.342 1.00 0.00 N ATOM 121 CA THR A 10 1.140 -5.815 6.735 1.00 0.00 C ATOM 122 C THR A 10 0.516 -6.467 5.491 1.00 0.00 C ATOM 123 O THR A 10 0.015 -5.774 4.608 1.00 0.00 O ATOM 124 CB THR A 10 0.046 -5.221 7.648 1.00 0.00 C ATOM 125 OG1 THR A 10 0.663 -4.617 8.777 1.00 0.00 O ATOM 126 CG2 THR A 10 -0.905 -6.324 8.134 1.00 0.00 C ATOM 0 H THR A 10 1.652 -4.004 5.792 1.00 0.00 H new ATOM 0 HA THR A 10 1.680 -6.587 7.283 1.00 0.00 H new ATOM 0 HB THR A 10 -0.523 -4.483 7.083 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.025 -4.236 9.361 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.670 -5.888 8.776 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.380 -6.799 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.341 -7.069 8.696 1.00 0.00 H new ATOM 134 N THR A 11 0.560 -7.806 5.434 1.00 0.00 N ATOM 135 CA THR A 11 0.011 -8.552 4.293 1.00 0.00 C ATOM 136 C THR A 11 -1.077 -9.534 4.752 1.00 0.00 C ATOM 137 O THR A 11 -0.841 -10.366 5.632 1.00 0.00 O ATOM 138 CB THR A 11 1.152 -9.305 3.563 1.00 0.00 C ATOM 139 OG1 THR A 11 2.134 -8.367 3.147 1.00 0.00 O ATOM 140 CG2 THR A 11 0.607 -10.038 2.326 1.00 0.00 C ATOM 0 H THR A 11 0.968 -8.392 6.162 1.00 0.00 H new ATOM 0 HA THR A 11 -0.448 -7.845 3.602 1.00 0.00 H new ATOM 0 HB THR A 11 1.587 -10.035 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.860 -8.836 2.686 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.421 -10.562 1.825 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.152 -10.757 2.634 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.164 -9.315 1.640 1.00 0.00 H new ATOM 148 N VAL A 12 -2.269 -9.430 4.134 1.00 0.00 N ATOM 149 CA VAL A 12 -3.394 -10.316 4.471 1.00 0.00 C ATOM 150 C VAL A 12 -4.107 -10.821 3.198 1.00 0.00 C ATOM 151 O VAL A 12 -4.424 -10.038 2.301 1.00 0.00 O ATOM 152 CB VAL A 12 -4.389 -9.594 5.421 1.00 0.00 C ATOM 153 CG1 VAL A 12 -5.564 -10.522 5.784 1.00 0.00 C ATOM 154 CG2 VAL A 12 -3.659 -9.195 6.711 1.00 0.00 C ATOM 0 H VAL A 12 -2.475 -8.747 3.405 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.997 -11.187 4.992 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.776 -8.711 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.249 -9.998 6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.092 -10.813 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.183 -11.413 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.354 -8.688 7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.270 -10.088 7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.834 -8.525 6.470 1.00 0.00 H new ATOM 164 N ALA A 13 -4.370 -12.132 3.152 1.00 0.00 N ATOM 165 CA ALA A 13 -5.066 -12.754 2.017 1.00 0.00 C ATOM 166 C ALA A 13 -6.565 -12.880 2.303 1.00 0.00 C ATOM 167 O ALA A 13 -6.971 -13.004 3.464 1.00 0.00 O ATOM 168 CB ALA A 13 -4.477 -14.137 1.728 1.00 0.00 C ATOM 0 H ALA A 13 -4.111 -12.786 3.890 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.929 -12.116 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.001 -14.587 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.419 -14.038 1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.591 -14.772 2.607 1.00 0.00 H new ATOM 174 N PHE A 14 -7.388 -12.850 1.235 1.00 0.00 N ATOM 175 CA PHE A 14 -8.843 -12.963 1.388 1.00 0.00 C ATOM 176 C PHE A 14 -9.451 -13.827 0.283 1.00 0.00 C ATOM 177 O PHE A 14 -8.828 -14.044 -0.762 1.00 0.00 O ATOM 178 CB PHE A 14 -9.499 -11.562 1.419 1.00 0.00 C ATOM 179 CG PHE A 14 -9.312 -10.846 0.090 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.296 -10.943 -0.903 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.160 -10.094 -0.140 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.123 -10.281 -2.125 1.00 0.00 C ATOM 183 CE2 PHE A 14 -7.988 -9.433 -1.363 1.00 0.00 C ATOM 184 CZ PHE A 14 -8.970 -9.527 -2.355 1.00 0.00 C ATOM 0 H PHE A 14 -7.070 -12.750 0.271 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.043 -13.455 2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.562 -11.659 1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.061 -10.968 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.187 -11.528 -0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.401 -10.021 0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.882 -10.354 -2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.096 -8.850 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.837 -9.017 -3.298 1.00 0.00 H new ATOM 194 N ASP A 15 -10.658 -14.340 0.541 1.00 0.00 N ATOM 195 CA ASP A 15 -11.343 -15.209 -0.410 1.00 0.00 C ATOM 196 C ASP A 15 -12.380 -14.447 -1.217 1.00 0.00 C ATOM 197 O ASP A 15 -13.279 -13.813 -0.652 1.00 0.00 O ATOM 198 CB ASP A 15 -12.028 -16.361 0.330 1.00 0.00 C ATOM 199 CG ASP A 15 -10.995 -17.177 1.101 1.00 0.00 C ATOM 200 OD1 ASP A 15 -9.973 -17.506 0.520 1.00 0.00 O ATOM 201 OD2 ASP A 15 -11.241 -17.463 2.261 1.00 0.00 O ATOM 0 H ASP A 15 -11.178 -14.166 1.401 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.592 -15.601 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.778 -15.968 1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.551 -17.001 -0.381 1.00 0.00 H new ATOM 206 N VAL A 16 -12.297 -14.583 -2.543 1.00 0.00 N ATOM 207 CA VAL A 16 -13.280 -13.987 -3.445 1.00 0.00 C ATOM 208 C VAL A 16 -14.320 -15.049 -3.762 1.00 0.00 C ATOM 209 O VAL A 16 -14.018 -16.021 -4.447 1.00 0.00 O ATOM 210 CB VAL A 16 -12.591 -13.503 -4.750 1.00 0.00 C ATOM 211 CG1 VAL A 16 -13.619 -12.849 -5.690 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.491 -12.481 -4.415 1.00 0.00 C ATOM 0 H VAL A 16 -11.556 -15.102 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.750 -13.123 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.150 -14.367 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.120 -12.515 -6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.392 -13.574 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.075 -11.993 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.013 -12.146 -5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.933 -11.626 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.747 -12.946 -3.768 1.00 0.00 H new ATOM 222 N ARG A 17 -15.526 -14.885 -3.214 1.00 0.00 N ATOM 223 CA ARG A 17 -16.592 -15.879 -3.382 1.00 0.00 C ATOM 224 C ARG A 17 -17.683 -15.394 -4.376 1.00 0.00 C ATOM 225 O ARG A 17 -18.404 -14.440 -4.074 1.00 0.00 O ATOM 226 CB ARG A 17 -17.213 -16.202 -2.019 1.00 0.00 C ATOM 227 CG ARG A 17 -16.145 -16.854 -1.120 1.00 0.00 C ATOM 228 CD ARG A 17 -16.637 -16.900 0.330 1.00 0.00 C ATOM 229 NE ARG A 17 -17.869 -17.708 0.438 1.00 0.00 N ATOM 230 CZ ARG A 17 -18.649 -17.724 1.550 1.00 0.00 C ATOM 231 NH1 ARG A 17 -18.348 -16.997 2.611 1.00 0.00 N ATOM 232 NH2 ARG A 17 -19.716 -18.473 1.570 1.00 0.00 N ATOM 0 H ARG A 17 -15.790 -14.076 -2.651 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.150 -16.782 -3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.592 -15.292 -1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.062 -16.874 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.929 -17.863 -1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.214 -16.290 -1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.862 -17.323 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.827 -15.888 0.687 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.147 -18.280 -0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.515 -16.408 2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.948 -17.025 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.957 -19.039 0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.309 -18.493 2.399 1.00 0.00 H new ATOM 246 N PRO A 18 -17.822 -16.032 -5.571 1.00 0.00 N ATOM 247 CA PRO A 18 -18.843 -15.625 -6.587 1.00 0.00 C ATOM 248 C PRO A 18 -20.242 -16.128 -6.239 1.00 0.00 C ATOM 249 O PRO A 18 -20.426 -16.859 -5.261 1.00 0.00 O ATOM 250 CB PRO A 18 -18.345 -16.280 -7.864 1.00 0.00 C ATOM 251 CG PRO A 18 -17.705 -17.541 -7.404 1.00 0.00 C ATOM 252 CD PRO A 18 -17.027 -17.201 -6.078 1.00 0.00 C ATOM 0 HA PRO A 18 -18.941 -14.542 -6.656 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.164 -16.479 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.634 -15.641 -8.388 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.445 -18.331 -7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.980 -17.901 -8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.059 -18.040 -5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.977 -16.943 -6.218 1.00 0.00 H new ATOM 260 N GLY A 19 -21.223 -15.729 -7.057 1.00 0.00 N ATOM 261 CA GLY A 19 -22.620 -16.137 -6.853 1.00 0.00 C ATOM 262 C GLY A 19 -23.610 -14.981 -7.100 1.00 0.00 C ATOM 263 O GLY A 19 -24.774 -15.063 -6.695 1.00 0.00 O ATOM 0 H GLY A 19 -21.077 -15.125 -7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.856 -16.964 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.743 -16.506 -5.835 1.00 0.00 H new ATOM 267 N GLY A 20 -23.138 -13.907 -7.761 1.00 0.00 N ATOM 268 CA GLY A 20 -23.983 -12.744 -8.052 1.00 0.00 C ATOM 269 C GLY A 20 -24.319 -11.962 -6.777 1.00 0.00 C ATOM 270 O GLY A 20 -25.360 -11.301 -6.703 1.00 0.00 O ATOM 0 H GLY A 20 -22.180 -13.825 -8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -23.472 -12.089 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.905 -13.073 -8.532 1.00 0.00 H new ATOM 274 N VAL A 21 -23.434 -12.054 -5.778 1.00 0.00 N ATOM 275 CA VAL A 21 -23.626 -11.369 -4.499 1.00 0.00 C ATOM 276 C VAL A 21 -22.488 -10.382 -4.272 1.00 0.00 C ATOM 277 O VAL A 21 -21.310 -10.743 -4.388 1.00 0.00 O ATOM 278 CB VAL A 21 -23.685 -12.399 -3.338 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.901 -11.685 -1.989 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.838 -13.386 -3.571 1.00 0.00 C ATOM 0 H VAL A 21 -22.574 -12.600 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.571 -10.826 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.737 -12.936 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.940 -12.424 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -23.077 -10.995 -1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.839 -11.131 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.873 -14.105 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.781 -12.841 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.680 -13.914 -4.511 1.00 0.00 H new ATOM 290 N VAL A 22 -22.848 -9.144 -3.937 1.00 0.00 N ATOM 291 CA VAL A 22 -21.857 -8.109 -3.677 1.00 0.00 C ATOM 292 C VAL A 22 -21.229 -8.357 -2.312 1.00 0.00 C ATOM 293 O VAL A 22 -21.922 -8.365 -1.288 1.00 0.00 O ATOM 294 CB VAL A 22 -22.516 -6.700 -3.732 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.474 -5.603 -3.450 1.00 0.00 C ATOM 296 CG2 VAL A 22 -23.120 -6.467 -5.124 1.00 0.00 C ATOM 0 H VAL A 22 -23.816 -8.837 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 22 -21.082 -8.145 -4.442 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.296 -6.655 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.954 -4.625 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -21.046 -5.754 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.683 -5.652 -4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.581 -5.480 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.334 -6.528 -5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.875 -7.227 -5.325 1.00 0.00 H new ATOM 306 N HIS A 23 -19.916 -8.574 -2.316 1.00 0.00 N ATOM 307 CA HIS A 23 -19.174 -8.842 -1.085 1.00 0.00 C ATOM 308 C HIS A 23 -18.228 -7.706 -0.773 1.00 0.00 C ATOM 309 O HIS A 23 -17.565 -7.170 -1.669 1.00 0.00 O ATOM 310 CB HIS A 23 -18.380 -10.147 -1.200 1.00 0.00 C ATOM 311 CG HIS A 23 -19.317 -11.309 -1.408 1.00 0.00 C ATOM 312 ND1 HIS A 23 -20.170 -11.760 -0.411 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.534 -12.125 -2.486 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.856 -12.805 -0.911 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.506 -13.069 -2.171 1.00 0.00 N ATOM 0 H HIS A 23 -19.342 -8.570 -3.159 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.899 -8.937 -0.276 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.679 -10.082 -2.032 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.790 -10.303 -0.297 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -19.027 -12.047 -3.437 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.599 -13.362 -0.359 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -20.873 -13.805 -2.774 1.00 0.00 H new ATOM 323 N SER A 24 -18.167 -7.347 0.507 1.00 0.00 N ATOM 324 CA SER A 24 -17.296 -6.270 0.964 1.00 0.00 C ATOM 325 C SER A 24 -16.221 -6.799 1.905 1.00 0.00 C ATOM 326 O SER A 24 -16.525 -7.436 2.917 1.00 0.00 O ATOM 327 CB SER A 24 -18.117 -5.199 1.679 1.00 0.00 C ATOM 328 OG SER A 24 -19.047 -4.631 0.766 1.00 0.00 O ATOM 0 H SER A 24 -18.713 -7.788 1.247 1.00 0.00 H new ATOM 0 HA SER A 24 -16.811 -5.835 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.644 -5.635 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.460 -4.425 2.075 1.00 0.00 H new ATOM 0 HG SER A 24 -18.577 -4.027 0.154 1.00 0.00 H new ATOM 334 N PHE A 25 -14.970 -6.485 1.582 1.00 0.00 N ATOM 335 CA PHE A 25 -13.823 -6.872 2.409 1.00 0.00 C ATOM 336 C PHE A 25 -12.990 -5.648 2.742 1.00 0.00 C ATOM 337 O PHE A 25 -12.951 -4.698 1.962 1.00 0.00 O ATOM 338 CB PHE A 25 -12.966 -7.917 1.691 1.00 0.00 C ATOM 339 CG PHE A 25 -13.756 -9.194 1.541 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.545 -9.403 0.407 1.00 0.00 C ATOM 341 CD2 PHE A 25 -13.696 -10.171 2.544 1.00 0.00 C ATOM 342 CE1 PHE A 25 -15.277 -10.589 0.274 1.00 0.00 C ATOM 343 CE2 PHE A 25 -14.427 -11.357 2.411 1.00 0.00 C ATOM 344 CZ PHE A 25 -15.218 -11.566 1.276 1.00 0.00 C ATOM 0 H PHE A 25 -14.720 -5.958 0.745 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.194 -7.313 3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.664 -7.546 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.053 -8.105 2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.590 -8.650 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.085 -10.009 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.888 -10.751 -0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -14.381 -12.110 3.184 1.00 0.00 H new ATOM 0 HZ PHE A 25 -15.783 -12.481 1.172 1.00 0.00 H new ATOM 354 N SER A 26 -12.363 -5.652 3.923 1.00 0.00 N ATOM 355 CA SER A 26 -11.575 -4.503 4.364 1.00 0.00 C ATOM 356 C SER A 26 -10.466 -4.921 5.315 1.00 0.00 C ATOM 357 O SER A 26 -10.465 -6.043 5.833 1.00 0.00 O ATOM 358 CB SER A 26 -12.480 -3.489 5.044 1.00 0.00 C ATOM 359 OG SER A 26 -12.921 -4.015 6.291 1.00 0.00 O ATOM 0 H SER A 26 -12.387 -6.430 4.582 1.00 0.00 H new ATOM 0 HA SER A 26 -11.114 -4.054 3.485 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.944 -2.553 5.200 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.336 -3.264 4.408 1.00 0.00 H new ATOM 0 HG SER A 26 -13.504 -3.363 6.733 1.00 0.00 H new ATOM 365 N HIS A 27 -9.516 -4.006 5.535 1.00 0.00 N ATOM 366 CA HIS A 27 -8.384 -4.264 6.420 1.00 0.00 C ATOM 367 C HIS A 27 -7.953 -2.982 7.135 1.00 0.00 C ATOM 368 O HIS A 27 -7.900 -1.905 6.528 1.00 0.00 O ATOM 369 CB HIS A 27 -7.208 -4.842 5.610 1.00 0.00 C ATOM 370 CG HIS A 27 -6.103 -5.362 6.524 1.00 0.00 C ATOM 371 ND1 HIS A 27 -6.045 -5.626 7.883 1.00 0.00 N flip ATOM 372 CD2 HIS A 27 -4.847 -5.681 6.033 1.00 0.00 C flip ATOM 373 CE1 HIS A 27 -4.778 -6.091 8.215 1.00 0.00 C flip ATOM 374 NE2 HIS A 27 -4.098 -6.105 7.066 1.00 0.00 N flip ATOM 0 H HIS A 27 -9.512 -3.079 5.109 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.690 -4.989 7.174 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.566 -5.651 4.973 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.805 -4.073 4.951 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -6.815 -5.498 8.540 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.527 -5.603 5.004 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.420 -6.379 9.192 1.00 0.00 H new ATOM 382 N ASN A 28 -7.677 -3.109 8.435 1.00 0.00 N ATOM 383 CA ASN A 28 -7.281 -1.974 9.270 1.00 0.00 C ATOM 384 C ASN A 28 -5.836 -2.142 9.757 1.00 0.00 C ATOM 385 O ASN A 28 -5.278 -3.241 9.694 1.00 0.00 O ATOM 386 CB ASN A 28 -8.234 -1.866 10.472 1.00 0.00 C ATOM 387 CG ASN A 28 -7.849 -0.687 11.362 1.00 0.00 C ATOM 388 OD1 ASN A 28 -7.087 -0.850 12.314 1.00 0.00 O ATOM 389 ND2 ASN A 28 -8.335 0.493 11.108 1.00 0.00 N ATOM 0 H ASN A 28 -7.721 -3.997 8.936 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.339 -1.061 8.678 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.258 -1.743 10.120 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.204 -2.789 11.050 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.084 1.286 11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.967 0.625 10.318 1.00 0.00 H new ATOM 396 N VAL A 29 -5.244 -1.044 10.259 1.00 0.00 N ATOM 397 CA VAL A 29 -3.866 -1.074 10.778 1.00 0.00 C ATOM 398 C VAL A 29 -3.839 -0.642 12.242 1.00 0.00 C ATOM 399 O VAL A 29 -4.723 0.094 12.693 1.00 0.00 O ATOM 400 CB VAL A 29 -2.944 -0.160 9.941 1.00 0.00 C ATOM 401 CG1 VAL A 29 -2.852 -0.697 8.511 1.00 0.00 C ATOM 402 CG2 VAL A 29 -3.499 1.289 9.916 1.00 0.00 C ATOM 0 H VAL A 29 -5.695 -0.131 10.316 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.499 -2.098 10.704 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.953 -0.150 10.394 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.201 -0.051 7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.443 -1.707 8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.846 -0.715 8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.839 1.921 9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.495 1.289 9.474 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.553 1.675 10.934 1.00 0.00 H new ATOM 412 N GLY A 30 -2.845 -1.143 12.992 1.00 0.00 N ATOM 413 CA GLY A 30 -2.741 -0.848 14.422 1.00 0.00 C ATOM 414 C GLY A 30 -2.588 0.666 14.685 1.00 0.00 C ATOM 415 O GLY A 30 -3.365 1.226 15.467 1.00 0.00 O ATOM 0 H GLY A 30 -2.109 -1.750 12.631 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.629 -1.218 14.935 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.886 -1.378 14.841 1.00 0.00 H new ATOM 419 N PRO A 31 -1.635 1.363 14.024 1.00 0.00 N ATOM 420 CA PRO A 31 -1.470 2.848 14.199 1.00 0.00 C ATOM 421 C PRO A 31 -2.738 3.590 13.786 1.00 0.00 C ATOM 422 O PRO A 31 -3.232 4.459 14.510 1.00 0.00 O ATOM 423 CB PRO A 31 -0.309 3.194 13.250 1.00 0.00 C ATOM 424 CG PRO A 31 0.434 1.913 13.076 1.00 0.00 C ATOM 425 CD PRO A 31 -0.630 0.827 13.069 1.00 0.00 C ATOM 0 HA PRO A 31 -1.278 3.133 15.234 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.677 3.571 12.296 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.331 3.968 13.673 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.003 1.912 12.146 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.147 1.759 13.886 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.052 0.678 12.075 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.232 -0.134 13.394 1.00 0.00 H new ATOM 433 N GLY A 32 -3.269 3.204 12.624 1.00 0.00 N ATOM 434 CA GLY A 32 -4.502 3.783 12.095 1.00 0.00 C ATOM 435 C GLY A 32 -5.718 2.960 12.506 1.00 0.00 C ATOM 436 O GLY A 32 -6.243 2.183 11.699 1.00 0.00 O ATOM 0 H GLY A 32 -2.858 2.486 12.028 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.612 4.805 12.458 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.445 3.835 11.008 1.00 0.00 H new ATOM 440 N ASP A 33 -6.166 3.132 13.755 1.00 0.00 N ATOM 441 CA ASP A 33 -7.333 2.394 14.254 1.00 0.00 C ATOM 442 C ASP A 33 -8.581 2.742 13.440 1.00 0.00 C ATOM 443 O ASP A 33 -9.420 1.877 13.172 1.00 0.00 O ATOM 444 CB ASP A 33 -7.573 2.719 15.742 1.00 0.00 C ATOM 445 CG ASP A 33 -8.667 1.813 16.351 1.00 0.00 C ATOM 446 OD1 ASP A 33 -9.452 1.245 15.599 1.00 0.00 O ATOM 447 OD2 ASP A 33 -8.700 1.705 17.565 1.00 0.00 O ATOM 0 H ASP A 33 -5.744 3.768 14.432 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.133 1.328 14.148 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.644 2.592 16.297 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.866 3.764 15.845 1.00 0.00 H new ATOM 452 N LYS A 34 -8.683 4.014 13.035 1.00 0.00 N ATOM 453 CA LYS A 34 -9.812 4.488 12.237 1.00 0.00 C ATOM 454 C LYS A 34 -9.557 4.313 10.729 1.00 0.00 C ATOM 455 O LYS A 34 -10.501 4.150 9.951 1.00 0.00 O ATOM 456 CB LYS A 34 -10.095 5.956 12.557 1.00 0.00 C ATOM 457 CG LYS A 34 -11.450 6.362 11.960 1.00 0.00 C ATOM 458 CD LYS A 34 -11.776 7.821 12.324 1.00 0.00 C ATOM 459 CE LYS A 34 -12.168 7.926 13.807 1.00 0.00 C ATOM 460 NZ LYS A 34 -13.405 7.131 14.053 1.00 0.00 N ATOM 0 H LYS A 34 -7.992 4.733 13.250 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.682 3.885 12.496 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.101 6.109 13.636 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.304 6.586 12.151 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.427 6.246 10.876 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.233 5.703 12.335 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.912 8.455 12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.591 8.186 11.699 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.356 7.559 14.435 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.334 8.969 14.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.912 7.522 14.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.018 7.174 13.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.149 6.141 14.244 1.00 0.00 H new ATOM 474 N TYR A 35 -8.277 4.384 10.325 1.00 0.00 N ATOM 475 CA TYR A 35 -7.901 4.274 8.914 1.00 0.00 C ATOM 476 C TYR A 35 -8.073 2.835 8.422 1.00 0.00 C ATOM 477 O TYR A 35 -7.539 1.900 9.023 1.00 0.00 O ATOM 478 CB TYR A 35 -6.435 4.720 8.738 1.00 0.00 C ATOM 479 CG TYR A 35 -6.062 4.729 7.269 1.00 0.00 C ATOM 480 CD1 TYR A 35 -6.314 5.862 6.494 1.00 0.00 C ATOM 481 CD2 TYR A 35 -5.473 3.600 6.691 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.978 5.868 5.137 1.00 0.00 C ATOM 483 CE2 TYR A 35 -5.136 3.605 5.335 1.00 0.00 C ATOM 484 CZ TYR A 35 -5.389 4.739 4.557 1.00 0.00 C ATOM 485 OH TYR A 35 -5.058 4.745 3.217 1.00 0.00 O ATOM 0 H TYR A 35 -7.489 4.517 10.959 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.552 4.919 8.323 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.297 5.715 9.162 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.775 4.046 9.284 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.768 6.733 6.942 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.279 2.724 7.293 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.173 6.744 4.536 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.680 2.734 4.888 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.657 3.884 2.975 1.00 0.00 H new ATOM 495 N THR A 36 -8.804 2.675 7.310 1.00 0.00 N ATOM 496 CA THR A 36 -9.029 1.351 6.730 1.00 0.00 C ATOM 497 C THR A 36 -9.342 1.440 5.232 1.00 0.00 C ATOM 498 O THR A 36 -9.855 2.458 4.755 1.00 0.00 O ATOM 499 CB THR A 36 -10.165 0.624 7.481 1.00 0.00 C ATOM 500 OG1 THR A 36 -10.344 -0.674 6.931 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.476 1.418 7.374 1.00 0.00 C ATOM 0 H THR A 36 -9.245 3.441 6.801 1.00 0.00 H new ATOM 0 HA THR A 36 -8.110 0.776 6.840 1.00 0.00 H new ATOM 0 HB THR A 36 -9.893 0.541 8.533 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.469 -1.082 6.764 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.266 0.890 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.339 2.407 7.812 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.755 1.521 6.325 1.00 0.00 H new ATOM 509 N CYS A 37 -9.066 0.345 4.511 1.00 0.00 N ATOM 510 CA CYS A 37 -9.357 0.267 3.073 1.00 0.00 C ATOM 511 C CYS A 37 -10.424 -0.792 2.810 1.00 0.00 C ATOM 512 O CYS A 37 -10.538 -1.768 3.557 1.00 0.00 O ATOM 513 CB CYS A 37 -8.081 -0.039 2.271 1.00 0.00 C ATOM 514 SG CYS A 37 -6.942 1.368 2.393 1.00 0.00 S ATOM 0 H CYS A 37 -8.642 -0.498 4.899 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.736 1.235 2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.605 -0.941 2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.331 -0.230 1.227 1.00 0.00 H new ATOM 519 N MET A 38 -11.247 -0.549 1.788 1.00 0.00 N ATOM 520 CA MET A 38 -12.372 -1.435 1.468 1.00 0.00 C ATOM 521 C MET A 38 -12.366 -1.857 0.010 1.00 0.00 C ATOM 522 O MET A 38 -11.911 -1.115 -0.867 1.00 0.00 O ATOM 523 CB MET A 38 -13.700 -0.735 1.776 1.00 0.00 C ATOM 524 CG MET A 38 -13.793 -0.441 3.272 1.00 0.00 C ATOM 525 SD MET A 38 -15.339 0.425 3.630 1.00 0.00 S ATOM 526 CE MET A 38 -15.124 0.538 5.423 1.00 0.00 C ATOM 0 H MET A 38 -11.157 0.254 1.166 1.00 0.00 H new ATOM 0 HA MET A 38 -12.263 -2.327 2.085 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.773 0.193 1.208 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.534 -1.365 1.467 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.747 -1.371 3.838 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.944 0.166 3.586 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.955 1.095 5.855 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.098 -0.464 5.850 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.189 1.051 5.646 1.00 0.00 H new ATOM 536 N PHE A 39 -12.913 -3.044 -0.237 1.00 0.00 N ATOM 537 CA PHE A 39 -13.028 -3.587 -1.584 1.00 0.00 C ATOM 538 C PHE A 39 -14.397 -4.266 -1.763 1.00 0.00 C ATOM 539 O PHE A 39 -14.682 -5.289 -1.131 1.00 0.00 O ATOM 540 CB PHE A 39 -11.884 -4.591 -1.841 1.00 0.00 C ATOM 541 CG PHE A 39 -11.924 -5.100 -3.275 1.00 0.00 C ATOM 542 CD1 PHE A 39 -11.540 -4.258 -4.326 1.00 0.00 C ATOM 543 CD2 PHE A 39 -12.334 -6.414 -3.546 1.00 0.00 C ATOM 544 CE1 PHE A 39 -11.568 -4.728 -5.645 1.00 0.00 C ATOM 545 CE2 PHE A 39 -12.362 -6.881 -4.866 1.00 0.00 C ATOM 546 CZ PHE A 39 -11.979 -6.039 -5.914 1.00 0.00 C ATOM 0 H PHE A 39 -13.288 -3.654 0.490 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.949 -2.776 -2.308 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.924 -4.113 -1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.968 -5.430 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.222 -3.247 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.628 -7.066 -2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.272 -4.078 -6.456 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.680 -7.892 -5.074 1.00 0.00 H new ATOM 0 HZ PHE A 39 -12.000 -6.400 -6.932 1.00 0.00 H new ATOM 556 N THR A 40 -15.231 -3.683 -2.630 1.00 0.00 N ATOM 557 CA THR A 40 -16.573 -4.216 -2.911 1.00 0.00 C ATOM 558 C THR A 40 -16.637 -4.696 -4.365 1.00 0.00 C ATOM 559 O THR A 40 -16.197 -3.987 -5.272 1.00 0.00 O ATOM 560 CB THR A 40 -17.634 -3.122 -2.656 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.528 -2.674 -1.311 1.00 0.00 O ATOM 562 CG2 THR A 40 -19.048 -3.685 -2.882 1.00 0.00 C ATOM 0 H THR A 40 -15.001 -2.838 -3.153 1.00 0.00 H new ATOM 0 HA THR A 40 -16.778 -5.059 -2.251 1.00 0.00 H new ATOM 0 HB THR A 40 -17.462 -2.296 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.198 -1.979 -1.144 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.785 -2.903 -2.699 1.00 0.00 H new ATOM 0 HG22 THR A 40 -19.140 -4.036 -3.910 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.223 -4.515 -2.198 1.00 0.00 H new ATOM 570 N TYR A 41 -17.132 -5.928 -4.571 1.00 0.00 N ATOM 571 CA TYR A 41 -17.172 -6.516 -5.922 1.00 0.00 C ATOM 572 C TYR A 41 -18.361 -7.479 -6.119 1.00 0.00 C ATOM 573 O TYR A 41 -18.898 -8.030 -5.155 1.00 0.00 O ATOM 574 CB TYR A 41 -15.846 -7.265 -6.199 1.00 0.00 C ATOM 575 CG TYR A 41 -15.694 -8.417 -5.215 1.00 0.00 C ATOM 576 CD1 TYR A 41 -16.205 -9.678 -5.538 1.00 0.00 C ATOM 577 CD2 TYR A 41 -15.066 -8.211 -3.984 1.00 0.00 C ATOM 578 CE1 TYR A 41 -16.090 -10.733 -4.630 1.00 0.00 C ATOM 579 CE2 TYR A 41 -14.946 -9.267 -3.075 1.00 0.00 C ATOM 580 CZ TYR A 41 -15.459 -10.529 -3.399 1.00 0.00 C ATOM 581 OH TYR A 41 -15.349 -11.568 -2.503 1.00 0.00 O ATOM 0 H TYR A 41 -17.504 -6.528 -3.834 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.303 -5.696 -6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.837 -7.643 -7.221 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.003 -6.580 -6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.689 -9.836 -6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.673 -7.236 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.488 -11.706 -4.879 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.458 -9.109 -2.124 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.801 -11.286 -1.741 1.00 0.00 H new ATOM 591 N ALA A 42 -18.678 -7.737 -7.390 1.00 0.00 N ATOM 592 CA ALA A 42 -19.707 -8.705 -7.767 1.00 0.00 C ATOM 593 C ALA A 42 -19.100 -9.715 -8.742 1.00 0.00 C ATOM 594 O ALA A 42 -18.454 -9.321 -9.726 1.00 0.00 O ATOM 595 CB ALA A 42 -20.892 -7.993 -8.422 1.00 0.00 C ATOM 0 H ALA A 42 -18.229 -7.281 -8.184 1.00 0.00 H new ATOM 0 HA ALA A 42 -20.066 -9.220 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -21.650 -8.726 -8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -21.319 -7.276 -7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.553 -7.469 -9.315 1.00 0.00 H new ATOM 601 N SER A 43 -19.254 -11.015 -8.437 1.00 0.00 N ATOM 602 CA SER A 43 -18.651 -12.068 -9.263 1.00 0.00 C ATOM 603 C SER A 43 -19.625 -13.201 -9.547 1.00 0.00 C ATOM 604 O SER A 43 -20.527 -13.475 -8.755 1.00 0.00 O ATOM 605 CB SER A 43 -17.415 -12.629 -8.570 1.00 0.00 C ATOM 606 OG SER A 43 -16.484 -11.582 -8.350 1.00 0.00 O ATOM 0 H SER A 43 -19.784 -11.356 -7.635 1.00 0.00 H new ATOM 0 HA SER A 43 -18.376 -11.614 -10.215 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.693 -13.089 -7.622 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.964 -13.410 -9.182 1.00 0.00 H new ATOM 0 HG SER A 43 -15.644 -11.789 -8.810 1.00 0.00 H new ATOM 612 N GLN A 44 -19.393 -13.885 -10.668 1.00 0.00 N ATOM 613 CA GLN A 44 -20.202 -15.034 -11.068 1.00 0.00 C ATOM 614 C GLN A 44 -19.299 -16.249 -11.314 1.00 0.00 C ATOM 615 O GLN A 44 -18.302 -16.156 -12.038 1.00 0.00 O ATOM 616 CB GLN A 44 -20.994 -14.703 -12.345 1.00 0.00 C ATOM 617 CG GLN A 44 -21.981 -15.839 -12.676 1.00 0.00 C ATOM 618 CD GLN A 44 -23.030 -15.982 -11.571 1.00 0.00 C ATOM 619 OE1 GLN A 44 -23.713 -15.016 -11.234 1.00 0.00 O ATOM 620 NE2 GLN A 44 -23.197 -17.138 -10.991 1.00 0.00 N ATOM 0 H GLN A 44 -18.642 -13.659 -11.321 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.904 -15.268 -10.267 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.538 -13.768 -12.211 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -20.307 -14.555 -13.178 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.473 -15.635 -13.627 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.438 -16.777 -12.793 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.629 -17.937 -11.273 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.896 -17.243 -10.255 1.00 0.00 H new ATOM 629 N GLY A 45 -19.649 -17.373 -10.689 1.00 0.00 N ATOM 630 CA GLY A 45 -18.875 -18.607 -10.805 1.00 0.00 C ATOM 631 C GLY A 45 -19.235 -19.559 -9.673 1.00 0.00 C ATOM 632 O GLY A 45 -20.125 -19.262 -8.868 1.00 0.00 O ATOM 0 H GLY A 45 -20.472 -17.453 -10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.074 -19.081 -11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.809 -18.381 -10.775 1.00 0.00 H new ATOM 636 N GLY A 46 -18.548 -20.709 -9.616 1.00 0.00 N ATOM 637 CA GLY A 46 -18.816 -21.711 -8.571 1.00 0.00 C ATOM 638 C GLY A 46 -17.595 -21.991 -7.675 1.00 0.00 C ATOM 639 O GLY A 46 -17.687 -22.790 -6.738 1.00 0.00 O ATOM 0 H GLY A 46 -17.811 -20.968 -10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.643 -21.367 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -19.135 -22.641 -9.041 1.00 0.00 H new ATOM 643 N THR A 47 -16.453 -21.340 -7.967 1.00 0.00 N ATOM 644 CA THR A 47 -15.229 -21.545 -7.177 1.00 0.00 C ATOM 645 C THR A 47 -14.622 -20.203 -6.766 1.00 0.00 C ATOM 646 O THR A 47 -14.489 -19.295 -7.590 1.00 0.00 O ATOM 647 CB THR A 47 -14.210 -22.377 -7.989 1.00 0.00 C ATOM 648 OG1 THR A 47 -14.816 -23.605 -8.373 1.00 0.00 O ATOM 649 CG2 THR A 47 -12.967 -22.681 -7.135 1.00 0.00 C ATOM 0 H THR A 47 -16.355 -20.676 -8.735 1.00 0.00 H new ATOM 0 HA THR A 47 -15.485 -22.092 -6.270 1.00 0.00 H new ATOM 0 HB THR A 47 -13.909 -21.809 -8.869 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.176 -24.138 -8.890 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.258 -23.267 -7.720 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.498 -21.746 -6.829 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.262 -23.246 -6.251 1.00 0.00 H new ATOM 657 N ASN A 48 -14.247 -20.094 -5.483 1.00 0.00 N ATOM 658 CA ASN A 48 -13.646 -18.870 -4.970 1.00 0.00 C ATOM 659 C ASN A 48 -12.161 -18.806 -5.331 1.00 0.00 C ATOM 660 O ASN A 48 -11.632 -19.725 -5.964 1.00 0.00 O ATOM 661 CB ASN A 48 -13.832 -18.775 -3.444 1.00 0.00 C ATOM 662 CG ASN A 48 -13.019 -19.856 -2.709 1.00 0.00 C ATOM 663 OD1 ASN A 48 -12.546 -20.819 -3.320 1.00 0.00 O ATOM 664 ND2 ASN A 48 -12.831 -19.748 -1.420 1.00 0.00 N ATOM 0 H ASN A 48 -14.351 -20.837 -4.792 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.150 -18.022 -5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.523 -17.788 -3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.888 -18.882 -3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.295 -20.458 -0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.221 -18.954 -0.913 1.00 0.00 H new ATOM 671 N GLU A 49 -11.498 -17.704 -4.943 1.00 0.00 N ATOM 672 CA GLU A 49 -10.082 -17.513 -5.250 1.00 0.00 C ATOM 673 C GLU A 49 -9.374 -16.774 -4.130 1.00 0.00 C ATOM 674 O GLU A 49 -9.984 -15.973 -3.419 1.00 0.00 O ATOM 675 CB GLU A 49 -9.927 -16.739 -6.560 1.00 0.00 C ATOM 676 CG GLU A 49 -8.476 -16.831 -7.055 1.00 0.00 C ATOM 677 CD GLU A 49 -8.117 -18.288 -7.417 1.00 0.00 C ATOM 678 OE1 GLU A 49 -8.988 -18.997 -7.905 1.00 0.00 O ATOM 679 OE2 GLU A 49 -6.986 -18.670 -7.188 1.00 0.00 O ATOM 0 H GLU A 49 -11.923 -16.939 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.625 -18.497 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.603 -17.143 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.204 -15.695 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.342 -16.190 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.799 -16.465 -6.283 1.00 0.00 H new ATOM 686 N GLN A 50 -8.078 -17.060 -3.973 1.00 0.00 N ATOM 687 CA GLN A 50 -7.275 -16.433 -2.931 1.00 0.00 C ATOM 688 C GLN A 50 -6.440 -15.278 -3.486 1.00 0.00 C ATOM 689 O GLN A 50 -5.575 -15.471 -4.342 1.00 0.00 O ATOM 690 CB GLN A 50 -6.360 -17.468 -2.283 1.00 0.00 C ATOM 691 CG GLN A 50 -7.210 -18.487 -1.519 1.00 0.00 C ATOM 692 CD GLN A 50 -6.335 -19.629 -0.999 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.355 -20.013 -1.642 1.00 0.00 O ATOM 694 NE2 GLN A 50 -6.633 -20.199 0.136 1.00 0.00 N ATOM 0 H GLN A 50 -7.567 -17.722 -4.557 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.956 -16.028 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.765 -17.972 -3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.661 -16.979 -1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.714 -17.998 -0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.987 -18.884 -2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.443 -19.882 0.669 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.056 -20.961 0.491 1.00 0.00 H new ATOM 703 N TRP A 51 -6.696 -14.085 -2.957 1.00 0.00 N ATOM 704 CA TRP A 51 -5.972 -12.868 -3.343 1.00 0.00 C ATOM 705 C TRP A 51 -5.231 -12.297 -2.137 1.00 0.00 C ATOM 706 O TRP A 51 -5.704 -12.415 -1.003 1.00 0.00 O ATOM 707 CB TRP A 51 -6.951 -11.819 -3.883 1.00 0.00 C ATOM 708 CG TRP A 51 -7.498 -12.255 -5.210 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.282 -13.340 -5.407 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.342 -11.619 -6.518 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.597 -13.426 -6.755 1.00 0.00 N ATOM 712 CE2 TRP A 51 -8.043 -12.384 -7.480 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.657 -10.466 -6.959 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -8.068 -12.020 -8.832 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.683 -10.095 -8.318 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.386 -10.874 -9.252 1.00 0.00 C ATOM 0 H TRP A 51 -7.412 -13.930 -2.247 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.254 -13.123 -4.122 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.767 -11.674 -3.175 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.445 -10.859 -3.988 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.609 -14.027 -4.640 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.167 -14.167 -7.163 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.109 -9.864 -6.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.611 -12.621 -9.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.160 -9.208 -8.643 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.400 -10.588 -10.293 1.00 0.00 H new ATOM 727 N GLN A 52 -4.065 -11.682 -2.384 1.00 0.00 N ATOM 728 CA GLN A 52 -3.259 -11.101 -1.298 1.00 0.00 C ATOM 729 C GLN A 52 -3.449 -9.597 -1.224 1.00 0.00 C ATOM 730 O GLN A 52 -3.697 -8.939 -2.239 1.00 0.00 O ATOM 731 CB GLN A 52 -1.766 -11.413 -1.484 1.00 0.00 C ATOM 732 CG GLN A 52 -1.546 -12.927 -1.488 1.00 0.00 C ATOM 733 CD GLN A 52 -0.055 -13.237 -1.545 1.00 0.00 C ATOM 734 OE1 GLN A 52 0.422 -13.908 -2.552 1.00 0.00 O flip ATOM 735 NE2 GLN A 52 0.695 -12.854 -0.646 1.00 0.00 N flip ATOM 0 H GLN A 52 -3.662 -11.574 -3.315 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.602 -11.553 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.410 -10.983 -2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.187 -10.955 -0.682 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.984 -13.369 -0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.052 -13.374 -2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.319 -12.328 0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.692 -13.063 -0.690 1.00 0.00 H new ATOM 744 N MET A 53 -3.305 -9.058 -0.012 1.00 0.00 N ATOM 745 CA MET A 53 -3.428 -7.622 0.218 1.00 0.00 C ATOM 746 C MET A 53 -2.197 -7.136 0.943 1.00 0.00 C ATOM 747 O MET A 53 -1.588 -7.893 1.693 1.00 0.00 O ATOM 748 CB MET A 53 -4.667 -7.306 1.071 1.00 0.00 C ATOM 749 CG MET A 53 -5.932 -7.821 0.379 1.00 0.00 C ATOM 750 SD MET A 53 -7.390 -7.403 1.380 1.00 0.00 S ATOM 751 CE MET A 53 -7.488 -5.643 0.961 1.00 0.00 C ATOM 0 H MET A 53 -3.102 -9.600 0.828 1.00 0.00 H new ATOM 0 HA MET A 53 -3.531 -7.122 -0.745 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.568 -7.767 2.054 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.743 -6.230 1.230 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.021 -7.379 -0.613 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.870 -8.901 0.243 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.694 -5.065 1.862 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.541 -5.318 0.531 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.288 -5.485 0.238 1.00 0.00 H new ATOM 761 N SER A 54 -1.829 -5.876 0.715 1.00 0.00 N ATOM 762 CA SER A 54 -0.655 -5.296 1.369 1.00 0.00 C ATOM 763 C SER A 54 -0.913 -3.864 1.800 1.00 0.00 C ATOM 764 O SER A 54 -1.418 -3.047 1.023 1.00 0.00 O ATOM 765 CB SER A 54 0.554 -5.347 0.441 1.00 0.00 C ATOM 766 OG SER A 54 1.676 -4.766 1.097 1.00 0.00 O ATOM 0 H SER A 54 -2.322 -5.241 0.087 1.00 0.00 H new ATOM 0 HA SER A 54 -0.448 -5.889 2.260 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.773 -6.379 0.167 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.340 -4.810 -0.483 1.00 0.00 H new ATOM 0 HG SER A 54 2.455 -4.799 0.503 1.00 0.00 H new ATOM 772 N LEU A 55 -0.531 -3.563 3.039 1.00 0.00 N ATOM 773 CA LEU A 55 -0.677 -2.227 3.599 1.00 0.00 C ATOM 774 C LEU A 55 0.687 -1.668 3.934 1.00 0.00 C ATOM 775 O LEU A 55 1.551 -2.393 4.446 1.00 0.00 O ATOM 776 CB LEU A 55 -1.533 -2.262 4.885 1.00 0.00 C ATOM 777 CG LEU A 55 -2.924 -2.885 4.622 1.00 0.00 C ATOM 778 CD1 LEU A 55 -3.684 -2.966 5.941 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.732 -2.012 3.648 1.00 0.00 C ATOM 0 H LEU A 55 -0.113 -4.238 3.679 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.172 -1.597 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.015 -2.837 5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.653 -1.250 5.271 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.789 -3.876 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.667 -3.404 5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.128 -3.587 6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.801 -1.965 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.707 -2.467 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.865 -1.018 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.197 -1.931 2.702 1.00 0.00 H new ATOM 791 N GLY A 56 0.878 -0.382 3.663 1.00 0.00 N ATOM 792 CA GLY A 56 2.147 0.272 3.954 1.00 0.00 C ATOM 793 C GLY A 56 1.940 1.736 4.288 1.00 0.00 C ATOM 794 O GLY A 56 0.946 2.344 3.876 1.00 0.00 O ATOM 0 H GLY A 56 0.174 0.225 3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.635 -0.230 4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.812 0.182 3.095 1.00 0.00 H new ATOM 798 N THR A 57 2.873 2.292 5.062 1.00 0.00 N ATOM 799 CA THR A 57 2.789 3.689 5.494 1.00 0.00 C ATOM 800 C THR A 57 4.101 4.410 5.217 1.00 0.00 C ATOM 801 O THR A 57 5.156 3.775 5.108 1.00 0.00 O ATOM 802 CB THR A 57 2.479 3.760 7.008 1.00 0.00 C ATOM 803 OG1 THR A 57 3.569 3.204 7.732 1.00 0.00 O ATOM 804 CG2 THR A 57 1.192 2.971 7.348 1.00 0.00 C ATOM 0 H THR A 57 3.697 1.796 5.403 1.00 0.00 H new ATOM 0 HA THR A 57 1.988 4.173 4.935 1.00 0.00 H new ATOM 0 HB THR A 57 2.330 4.804 7.283 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.380 3.247 8.693 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.997 3.037 8.418 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.350 3.393 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.321 1.926 7.067 1.00 0.00 H new ATOM 812 N SER A 58 4.035 5.745 5.132 1.00 0.00 N ATOM 813 CA SER A 58 5.225 6.560 4.898 1.00 0.00 C ATOM 814 C SER A 58 6.106 6.577 6.148 1.00 0.00 C ATOM 815 O SER A 58 5.645 6.233 7.241 1.00 0.00 O ATOM 816 CB SER A 58 4.816 7.982 4.539 1.00 0.00 C ATOM 817 OG SER A 58 4.280 8.613 5.688 1.00 0.00 O ATOM 0 H SER A 58 3.170 6.279 5.222 1.00 0.00 H new ATOM 0 HA SER A 58 5.790 6.128 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.677 8.540 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.078 7.970 3.737 1.00 0.00 H new ATOM 0 HG SER A 58 3.535 8.080 6.037 1.00 0.00 H new ATOM 823 N GLU A 59 7.373 6.978 5.979 1.00 0.00 N ATOM 824 CA GLU A 59 8.319 7.038 7.106 1.00 0.00 C ATOM 825 C GLU A 59 7.832 8.000 8.203 1.00 0.00 C ATOM 826 O GLU A 59 8.138 7.809 9.385 1.00 0.00 O ATOM 827 CB GLU A 59 9.722 7.446 6.609 1.00 0.00 C ATOM 828 CG GLU A 59 9.672 8.846 5.966 1.00 0.00 C ATOM 829 CD GLU A 59 11.055 9.245 5.444 1.00 0.00 C ATOM 830 OE1 GLU A 59 12.030 8.987 6.133 1.00 0.00 O ATOM 831 OE2 GLU A 59 11.116 9.803 4.360 1.00 0.00 O ATOM 0 H GLU A 59 7.766 7.264 5.082 1.00 0.00 H new ATOM 0 HA GLU A 59 8.378 6.042 7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.425 7.445 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.085 6.718 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.952 8.851 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.328 9.577 6.698 1.00 0.00 H new ATOM 838 N ASP A 60 7.046 9.006 7.804 1.00 0.00 N ATOM 839 CA ASP A 60 6.479 9.974 8.751 1.00 0.00 C ATOM 840 C ASP A 60 4.972 9.725 8.986 1.00 0.00 C ATOM 841 O ASP A 60 4.304 10.532 9.640 1.00 0.00 O ATOM 842 CB ASP A 60 6.692 11.401 8.234 1.00 0.00 C ATOM 843 CG ASP A 60 6.554 12.409 9.378 1.00 0.00 C ATOM 844 OD1 ASP A 60 7.057 12.132 10.457 1.00 0.00 O ATOM 845 OD2 ASP A 60 5.947 13.444 9.157 1.00 0.00 O ATOM 0 H ASP A 60 6.788 9.172 6.831 1.00 0.00 H new ATOM 0 HA ASP A 60 6.995 9.847 9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.680 11.487 7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.964 11.625 7.454 1.00 0.00 H new ATOM 850 N HIS A 61 4.443 8.611 8.436 1.00 0.00 N ATOM 851 CA HIS A 61 3.021 8.273 8.576 1.00 0.00 C ATOM 852 C HIS A 61 2.123 9.399 8.027 1.00 0.00 C ATOM 853 O HIS A 61 0.965 9.538 8.430 1.00 0.00 O ATOM 854 CB HIS A 61 2.694 7.995 10.048 1.00 0.00 C ATOM 855 CG HIS A 61 3.419 6.749 10.490 1.00 0.00 C ATOM 856 ND1 HIS A 61 2.750 5.568 10.774 1.00 0.00 N ATOM 857 CD2 HIS A 61 4.754 6.479 10.681 1.00 0.00 C ATOM 858 CE1 HIS A 61 3.674 4.651 11.118 1.00 0.00 C ATOM 859 NE2 HIS A 61 4.911 5.156 11.077 1.00 0.00 N ATOM 0 H HIS A 61 4.982 7.936 7.894 1.00 0.00 H new ATOM 0 HA HIS A 61 2.822 7.375 7.990 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.992 8.842 10.666 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.619 7.870 10.177 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.558 7.187 10.544 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.444 3.632 11.393 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.784 4.673 11.291 1.00 0.00 H new ATOM 867 N GLN A 62 2.666 10.166 7.076 1.00 0.00 N ATOM 868 CA GLN A 62 1.935 11.255 6.419 1.00 0.00 C ATOM 869 C GLN A 62 1.024 10.732 5.294 1.00 0.00 C ATOM 870 O GLN A 62 -0.002 11.346 4.984 1.00 0.00 O ATOM 871 CB GLN A 62 2.924 12.300 5.860 1.00 0.00 C ATOM 872 CG GLN A 62 3.898 11.631 4.877 1.00 0.00 C ATOM 873 CD GLN A 62 4.711 12.687 4.137 1.00 0.00 C ATOM 874 OE1 GLN A 62 4.147 13.633 3.585 1.00 0.00 O ATOM 875 NE2 GLN A 62 6.011 12.581 4.089 1.00 0.00 N ATOM 0 H GLN A 62 3.622 10.050 6.740 1.00 0.00 H new ATOM 0 HA GLN A 62 1.299 11.726 7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.377 13.097 5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.479 12.761 6.677 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.566 10.960 5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.344 11.022 4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.476 11.797 4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.562 13.282 3.594 1.00 0.00 H new ATOM 884 N HIS A 63 1.415 9.600 4.685 1.00 0.00 N ATOM 885 CA HIS A 63 0.647 8.999 3.592 1.00 0.00 C ATOM 886 C HIS A 63 0.379 7.523 3.850 1.00 0.00 C ATOM 887 O HIS A 63 1.205 6.830 4.453 1.00 0.00 O ATOM 888 CB HIS A 63 1.388 9.152 2.260 1.00 0.00 C ATOM 889 CG HIS A 63 1.500 10.604 1.890 1.00 0.00 C ATOM 890 ND1 HIS A 63 0.391 11.371 1.582 1.00 0.00 N ATOM 891 CD2 HIS A 63 2.583 11.435 1.741 1.00 0.00 C ATOM 892 CE1 HIS A 63 0.825 12.602 1.264 1.00 0.00 C ATOM 893 NE2 HIS A 63 2.154 12.696 1.345 1.00 0.00 N ATOM 0 H HIS A 63 2.260 9.086 4.935 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.306 9.525 3.539 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.382 8.711 2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.858 8.610 1.477 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -0.580 11.059 1.594 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.612 11.152 1.906 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.177 13.417 0.977 1.00 0.00 H new ATOM 901 N PHE A 64 -0.777 7.047 3.372 1.00 0.00 N ATOM 902 CA PHE A 64 -1.157 5.637 3.535 1.00 0.00 C ATOM 903 C PHE A 64 -1.551 5.031 2.211 1.00 0.00 C ATOM 904 O PHE A 64 -2.095 5.715 1.345 1.00 0.00 O ATOM 905 CB PHE A 64 -2.291 5.492 4.563 1.00 0.00 C ATOM 906 CG PHE A 64 -1.839 6.040 5.914 1.00 0.00 C ATOM 907 CD1 PHE A 64 -2.426 7.201 6.437 1.00 0.00 C ATOM 908 CD2 PHE A 64 -0.826 5.391 6.628 1.00 0.00 C ATOM 909 CE1 PHE A 64 -1.999 7.706 7.673 1.00 0.00 C ATOM 910 CE2 PHE A 64 -0.400 5.896 7.861 1.00 0.00 C ATOM 911 CZ PHE A 64 -0.987 7.052 8.384 1.00 0.00 C ATOM 0 H PHE A 64 -1.463 7.613 2.872 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.290 5.094 3.910 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.175 6.029 4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.573 4.444 4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.207 7.706 5.888 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.372 4.497 6.226 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.451 8.600 8.076 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.383 5.393 8.409 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.659 7.440 9.337 1.00 0.00 H new ATOM 921 N THR A 65 -1.184 3.759 2.029 1.00 0.00 N ATOM 922 CA THR A 65 -1.409 3.077 0.770 1.00 0.00 C ATOM 923 C THR A 65 -1.899 1.632 0.978 1.00 0.00 C ATOM 924 O THR A 65 -1.321 0.874 1.761 1.00 0.00 O ATOM 925 CB THR A 65 -0.103 3.086 -0.024 1.00 0.00 C ATOM 926 OG1 THR A 65 0.396 4.416 -0.083 1.00 0.00 O ATOM 927 CG2 THR A 65 -0.355 2.596 -1.431 1.00 0.00 C ATOM 0 H THR A 65 -0.731 3.189 2.743 1.00 0.00 H new ATOM 0 HA THR A 65 -2.192 3.600 0.222 1.00 0.00 H new ATOM 0 HB THR A 65 0.620 2.433 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.235 4.429 -0.590 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.579 2.605 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.749 1.580 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.078 3.249 -1.920 1.00 0.00 H new ATOM 935 N CYS A 66 -2.926 1.253 0.207 1.00 0.00 N ATOM 936 CA CYS A 66 -3.462 -0.111 0.224 1.00 0.00 C ATOM 937 C CYS A 66 -3.333 -0.724 -1.169 1.00 0.00 C ATOM 938 O CYS A 66 -3.651 -0.068 -2.168 1.00 0.00 O ATOM 939 CB CYS A 66 -4.934 -0.108 0.644 1.00 0.00 C ATOM 940 SG CYS A 66 -5.092 0.547 2.327 1.00 0.00 S ATOM 0 H CYS A 66 -3.405 1.879 -0.441 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.895 -0.700 0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.518 0.499 -0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.337 -1.120 0.599 1.00 0.00 H new ATOM 945 N THR A 67 -2.835 -1.968 -1.239 1.00 0.00 N ATOM 946 CA THR A 67 -2.633 -2.639 -2.532 1.00 0.00 C ATOM 947 C THR A 67 -3.224 -4.055 -2.521 1.00 0.00 C ATOM 948 O THR A 67 -2.980 -4.832 -1.597 1.00 0.00 O ATOM 949 CB THR A 67 -1.130 -2.680 -2.858 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.615 -1.356 -2.826 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.899 -3.268 -4.259 1.00 0.00 C ATOM 0 H THR A 67 -2.568 -2.524 -0.427 1.00 0.00 H new ATOM 0 HA THR A 67 -3.154 -2.074 -3.305 1.00 0.00 H new ATOM 0 HB THR A 67 -0.625 -3.306 -2.122 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.343 -1.373 -3.031 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.170 -3.289 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.297 -4.282 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.405 -2.650 -5.001 1.00 0.00 H new ATOM 959 N ILE A 68 -4.002 -4.373 -3.563 1.00 0.00 N ATOM 960 CA ILE A 68 -4.638 -5.697 -3.688 1.00 0.00 C ATOM 961 C ILE A 68 -4.272 -6.321 -5.050 1.00 0.00 C ATOM 962 O ILE A 68 -4.547 -5.722 -6.091 1.00 0.00 O ATOM 963 CB ILE A 68 -6.183 -5.545 -3.579 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.548 -4.866 -2.234 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.845 -6.938 -3.637 1.00 0.00 C ATOM 966 CD1 ILE A 68 -8.021 -4.419 -2.245 1.00 0.00 C ATOM 0 H ILE A 68 -4.208 -3.735 -4.332 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.282 -6.346 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.541 -4.933 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.377 -5.559 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.901 -4.005 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.927 -6.830 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.594 -7.421 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.482 -7.548 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.264 -3.944 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.180 -3.709 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.664 -5.287 -2.391 1.00 0.00 H new ATOM 978 N TRP A 69 -3.683 -7.540 -5.037 1.00 0.00 N ATOM 979 CA TRP A 69 -3.323 -8.223 -6.307 1.00 0.00 C ATOM 980 C TRP A 69 -3.285 -9.761 -6.163 1.00 0.00 C ATOM 981 O TRP A 69 -3.220 -10.297 -5.051 1.00 0.00 O ATOM 982 CB TRP A 69 -1.959 -7.698 -6.856 1.00 0.00 C ATOM 983 CG TRP A 69 -0.804 -8.192 -6.027 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.010 -9.239 -6.350 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.328 -7.694 -4.760 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.935 -9.403 -5.357 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.776 -8.474 -4.351 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.743 -6.647 -3.934 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.446 -8.222 -3.162 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.073 -6.387 -2.729 1.00 0.00 C ATOM 991 CH2 TRP A 69 1.024 -7.177 -2.346 1.00 0.00 C ATOM 0 H TRP A 69 -3.452 -8.060 -4.190 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.110 -7.984 -7.022 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.832 -8.023 -7.889 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.964 -6.608 -6.863 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.101 -9.846 -7.238 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.659 -10.121 -5.367 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.584 -6.034 -4.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.289 -8.832 -2.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.401 -5.577 -2.094 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.539 -6.973 -1.419 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.258 -10.441 -7.315 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.144 -11.892 -7.370 1.00 0.00 C ATOM 1004 C ARG A 70 -1.656 -12.278 -7.627 1.00 0.00 C ATOM 1005 O ARG A 70 -1.032 -11.702 -8.525 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.031 -12.438 -8.507 1.00 0.00 C ATOM 1007 CG ARG A 70 -3.975 -13.973 -8.530 1.00 0.00 C ATOM 1008 CD ARG A 70 -4.843 -14.547 -7.393 1.00 0.00 C ATOM 1009 NE ARG A 70 -4.393 -15.905 -7.033 1.00 0.00 N ATOM 1010 CZ ARG A 70 -4.780 -17.019 -7.695 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -5.583 -16.954 -8.740 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -4.365 -18.184 -7.278 1.00 0.00 N ATOM 0 H ARG A 70 -3.315 -9.996 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.473 -12.323 -6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.060 -12.106 -8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.695 -12.040 -9.464 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.329 -14.344 -9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.944 -14.310 -8.418 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.787 -13.896 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.887 -14.574 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.756 -16.009 -6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.925 -16.050 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.861 -17.808 -9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.756 -18.246 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.649 -19.032 -7.768 1.00 0.00 H new ATOM 1026 N PRO A 71 -1.058 -13.216 -6.850 1.00 0.00 N ATOM 1027 CA PRO A 71 0.383 -13.597 -7.037 1.00 0.00 C ATOM 1028 C PRO A 71 0.600 -14.285 -8.382 1.00 0.00 C ATOM 1029 O PRO A 71 1.614 -14.059 -9.052 1.00 0.00 O ATOM 1030 CB PRO A 71 0.648 -14.567 -5.883 1.00 0.00 C ATOM 1031 CG PRO A 71 -0.686 -15.146 -5.571 1.00 0.00 C ATOM 1032 CD PRO A 71 -1.672 -14.007 -5.753 1.00 0.00 C ATOM 0 HA PRO A 71 1.051 -12.735 -7.034 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.360 -15.341 -6.170 1.00 0.00 H new ATOM 0 HB3 PRO A 71 1.069 -14.052 -5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.919 -15.977 -6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.718 -15.534 -4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.664 -14.369 -6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.783 -13.418 -4.842 1.00 0.00 H new ATOM 1040 N GLN A 72 -0.393 -15.083 -8.791 1.00 0.00 N ATOM 1041 CA GLN A 72 -0.361 -15.765 -10.081 1.00 0.00 C ATOM 1042 C GLN A 72 -0.442 -14.760 -11.225 1.00 0.00 C ATOM 1043 O GLN A 72 0.239 -14.905 -12.244 1.00 0.00 O ATOM 1044 CB GLN A 72 -1.507 -16.769 -10.181 1.00 0.00 C ATOM 1045 CG GLN A 72 -1.241 -17.951 -9.235 1.00 0.00 C ATOM 1046 CD GLN A 72 -2.416 -18.944 -9.246 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -3.511 -18.630 -9.731 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -2.250 -20.134 -8.735 1.00 0.00 N ATOM 0 H GLN A 72 -1.231 -15.270 -8.241 1.00 0.00 H new ATOM 0 HA GLN A 72 0.584 -16.302 -10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.450 -16.287 -9.921 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.603 -17.125 -11.207 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.326 -18.462 -9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.082 -17.582 -8.222 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.349 -20.396 -8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.021 -20.802 -8.736 1.00 0.00 H new ATOM 1057 N GLY A 73 -1.272 -13.733 -11.034 1.00 0.00 N ATOM 1058 CA GLY A 73 -1.447 -12.674 -12.034 1.00 0.00 C ATOM 1059 C GLY A 73 -2.675 -12.907 -12.932 1.00 0.00 C ATOM 1060 O GLY A 73 -3.114 -11.983 -13.627 1.00 0.00 O ATOM 0 H GLY A 73 -1.836 -13.611 -10.193 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.548 -11.714 -11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.553 -12.614 -12.655 1.00 0.00 H new ATOM 1064 N LYS A 74 -3.237 -14.132 -12.904 1.00 0.00 N ATOM 1065 CA LYS A 74 -4.423 -14.446 -13.712 1.00 0.00 C ATOM 1066 C LYS A 74 -5.411 -15.327 -12.955 1.00 0.00 C ATOM 1067 O LYS A 74 -5.058 -16.404 -12.465 1.00 0.00 O ATOM 1068 CB LYS A 74 -4.036 -15.123 -15.043 1.00 0.00 C ATOM 1069 CG LYS A 74 -3.110 -16.338 -14.799 1.00 0.00 C ATOM 1070 CD LYS A 74 -2.870 -17.086 -16.121 1.00 0.00 C ATOM 1071 CE LYS A 74 -1.921 -16.282 -17.018 1.00 0.00 C ATOM 1072 NZ LYS A 74 -1.655 -17.048 -18.269 1.00 0.00 N ATOM 0 H LYS A 74 -2.892 -14.907 -12.338 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.909 -13.495 -13.930 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.936 -15.447 -15.566 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.534 -14.403 -15.689 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.160 -16.004 -14.382 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.561 -17.009 -14.068 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.446 -18.070 -15.919 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.818 -17.247 -16.634 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.362 -15.314 -17.258 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.986 -16.085 -16.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.011 -16.504 -18.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.217 -17.961 -18.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.550 -17.214 -18.771 1.00 0.00 H new ATOM 1086 N SER A 75 -6.663 -14.871 -12.903 1.00 0.00 N ATOM 1087 CA SER A 75 -7.743 -15.619 -12.262 1.00 0.00 C ATOM 1088 C SER A 75 -8.829 -15.940 -13.287 1.00 0.00 C ATOM 1089 O SER A 75 -9.195 -15.069 -14.088 1.00 0.00 O ATOM 1090 CB SER A 75 -8.332 -14.795 -11.116 1.00 0.00 C ATOM 1091 OG SER A 75 -7.326 -14.570 -10.136 1.00 0.00 O ATOM 0 H SER A 75 -6.955 -13.979 -13.301 1.00 0.00 H new ATOM 0 HA SER A 75 -7.346 -16.552 -11.862 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.709 -13.844 -11.492 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.178 -15.320 -10.672 1.00 0.00 H new ATOM 0 HG SER A 75 -7.271 -13.612 -9.937 1.00 0.00 H new ATOM 1097 N TYR A 76 -9.366 -17.179 -13.257 1.00 0.00 N ATOM 1098 CA TYR A 76 -10.434 -17.557 -14.198 1.00 0.00 C ATOM 1099 C TYR A 76 -11.796 -17.625 -13.500 1.00 0.00 C ATOM 1100 O TYR A 76 -12.290 -18.702 -13.140 1.00 0.00 O ATOM 1101 CB TYR A 76 -10.108 -18.907 -14.872 1.00 0.00 C ATOM 1102 CG TYR A 76 -9.094 -18.705 -15.980 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -7.727 -18.647 -15.682 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -9.527 -18.577 -17.307 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -6.795 -18.459 -16.711 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -8.597 -18.391 -18.334 1.00 0.00 C ATOM 1107 CZ TYR A 76 -7.232 -18.331 -18.037 1.00 0.00 C ATOM 1108 OH TYR A 76 -6.315 -18.145 -19.051 1.00 0.00 O ATOM 0 H TYR A 76 -9.085 -17.915 -12.609 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.489 -16.785 -14.965 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.716 -19.606 -14.133 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.018 -19.349 -15.278 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.392 -18.747 -14.660 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.581 -18.622 -17.536 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.740 -18.413 -16.483 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.933 -18.294 -19.356 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.785 -18.077 -19.908 1.00 0.00 H new ATOM 1118 N LEU A 77 -12.423 -16.463 -13.402 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.769 -16.321 -12.865 1.00 0.00 C ATOM 1120 C LEU A 77 -14.503 -15.233 -13.634 1.00 0.00 C ATOM 1121 O LEU A 77 -13.864 -14.292 -14.130 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.734 -16.002 -11.362 1.00 0.00 C ATOM 1123 CG LEU A 77 -13.464 -17.284 -10.549 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -13.071 -16.906 -9.118 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.736 -18.144 -10.503 1.00 0.00 C ATOM 0 H LEU A 77 -12.006 -15.580 -13.697 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.301 -17.265 -12.984 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.958 -15.264 -11.158 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.682 -15.561 -11.055 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.657 -17.844 -11.021 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.880 -17.811 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.171 -16.292 -9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.882 -16.345 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.542 -19.049 -9.928 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.540 -17.579 -10.031 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.029 -18.414 -11.517 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.830 -15.345 -13.736 1.00 0.00 N ATOM 1138 CA TYR A 78 -16.615 -14.341 -14.449 1.00 0.00 C ATOM 1139 C TYR A 78 -17.002 -13.205 -13.502 1.00 0.00 C ATOM 1140 O TYR A 78 -18.078 -13.219 -12.901 1.00 0.00 O ATOM 1141 CB TYR A 78 -17.866 -14.981 -15.065 1.00 0.00 C ATOM 1142 CG TYR A 78 -18.530 -14.004 -16.011 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -18.095 -13.911 -17.339 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -19.579 -13.194 -15.559 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -18.710 -13.006 -18.214 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -20.193 -12.291 -16.433 1.00 0.00 C ATOM 1147 CZ TYR A 78 -19.759 -12.197 -17.760 1.00 0.00 C ATOM 1148 OH TYR A 78 -20.364 -11.306 -18.622 1.00 0.00 O ATOM 0 H TYR A 78 -16.375 -16.111 -13.339 1.00 0.00 H new ATOM 0 HA TYR A 78 -16.009 -13.928 -15.255 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -17.594 -15.891 -15.600 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -18.563 -15.270 -14.278 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -17.286 -14.536 -17.688 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -19.914 -13.267 -14.535 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -18.375 -12.932 -19.238 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -21.002 -11.666 -16.084 1.00 0.00 H new ATOM 0 HH TYR A 78 -21.073 -10.823 -18.149 1.00 0.00 H new ATOM 1158 N PHE A 79 -16.114 -12.211 -13.397 1.00 0.00 N ATOM 1159 CA PHE A 79 -16.350 -11.051 -12.533 1.00 0.00 C ATOM 1160 C PHE A 79 -17.315 -10.087 -13.183 1.00 0.00 C ATOM 1161 O PHE A 79 -17.115 -9.684 -14.329 1.00 0.00 O ATOM 1162 CB PHE A 79 -15.030 -10.312 -12.244 1.00 0.00 C ATOM 1163 CG PHE A 79 -14.227 -11.045 -11.190 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -13.412 -12.123 -11.546 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -14.293 -10.631 -9.853 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -12.666 -12.787 -10.565 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -13.550 -11.298 -8.875 1.00 0.00 C ATOM 1168 CZ PHE A 79 -12.737 -12.376 -9.231 1.00 0.00 C ATOM 0 H PHE A 79 -15.226 -12.187 -13.899 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.776 -11.417 -11.599 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -14.446 -10.228 -13.161 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -15.242 -9.297 -11.907 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.358 -12.443 -12.576 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.919 -9.795 -9.578 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.034 -13.619 -10.840 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.605 -10.980 -7.844 1.00 0.00 H new ATOM 0 HZ PHE A 79 -12.163 -12.892 -8.476 1.00 0.00 H new ATOM 1178 N THR A 80 -18.332 -9.674 -12.423 1.00 0.00 N ATOM 1179 CA THR A 80 -19.296 -8.695 -12.909 1.00 0.00 C ATOM 1180 C THR A 80 -18.626 -7.315 -12.951 1.00 0.00 C ATOM 1181 O THR A 80 -18.761 -6.575 -13.925 1.00 0.00 O ATOM 1182 CB THR A 80 -20.533 -8.674 -11.986 1.00 0.00 C ATOM 1183 OG1 THR A 80 -21.106 -9.975 -11.945 1.00 0.00 O ATOM 1184 CG2 THR A 80 -21.581 -7.684 -12.520 1.00 0.00 C ATOM 0 H THR A 80 -18.505 -10.003 -11.473 1.00 0.00 H new ATOM 0 HA THR A 80 -19.625 -8.963 -13.913 1.00 0.00 H new ATOM 0 HB THR A 80 -20.224 -8.364 -10.988 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.891 -9.968 -11.359 1.00 0.00 H new ATOM 0 HG21 THR A 80 -22.448 -7.680 -11.859 1.00 0.00 H new ATOM 0 HG22 THR A 80 -21.150 -6.684 -12.559 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.890 -7.986 -13.521 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.862 -7.013 -11.893 1.00 0.00 N ATOM 1193 CA GLN A 81 -17.105 -5.760 -11.779 1.00 0.00 C ATOM 1194 C GLN A 81 -16.404 -5.698 -10.431 1.00 0.00 C ATOM 1195 O GLN A 81 -16.659 -6.536 -9.557 1.00 0.00 O ATOM 1196 CB GLN A 81 -18.010 -4.520 -11.975 1.00 0.00 C ATOM 1197 CG GLN A 81 -19.168 -4.540 -10.970 1.00 0.00 C ATOM 1198 CD GLN A 81 -20.115 -3.378 -11.250 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.699 -2.220 -11.238 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -21.371 -3.620 -11.507 1.00 0.00 N ATOM 0 H GLN A 81 -17.751 -7.632 -11.090 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.360 -5.747 -12.574 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.424 -3.610 -11.846 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.403 -4.505 -12.992 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.706 -5.485 -11.040 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.781 -4.469 -9.954 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.714 -4.581 -11.516 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -22.010 -2.849 -11.699 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.524 -4.707 -10.260 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.793 -4.545 -9.001 1.00 0.00 C ATOM 1211 C PHE A 82 -14.685 -3.089 -8.614 1.00 0.00 C ATOM 1212 O PHE A 82 -14.688 -2.209 -9.482 1.00 0.00 O ATOM 1213 CB PHE A 82 -13.404 -5.168 -9.102 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.598 -4.522 -10.218 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -11.843 -3.382 -9.954 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.614 -5.071 -11.505 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -11.097 -2.782 -10.973 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.869 -4.473 -12.529 1.00 0.00 C ATOM 1219 CZ PHE A 82 -11.110 -3.328 -12.263 1.00 0.00 C ATOM 0 H PHE A 82 -15.302 -4.010 -10.971 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.354 -5.062 -8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.879 -5.051 -8.154 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.494 -6.239 -9.286 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.834 -2.960 -8.960 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.200 -5.955 -11.708 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.511 -1.899 -10.766 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.880 -4.895 -13.523 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.535 -2.866 -13.051 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.637 -2.834 -7.300 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.601 -1.459 -6.798 1.00 0.00 C ATOM 1231 C LYS A 83 -13.757 -1.364 -5.527 1.00 0.00 C ATOM 1232 O LYS A 83 -13.625 -2.346 -4.790 1.00 0.00 O ATOM 1233 CB LYS A 83 -16.037 -0.957 -6.528 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.908 -1.205 -7.777 1.00 0.00 C ATOM 1235 CD LYS A 83 -18.238 -0.472 -7.653 1.00 0.00 C ATOM 1236 CE LYS A 83 -19.075 -0.754 -8.896 1.00 0.00 C ATOM 1237 NZ LYS A 83 -20.376 -0.030 -8.798 1.00 0.00 N ATOM 0 H LYS A 83 -14.622 -3.552 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 83 -14.141 -0.827 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.460 -1.475 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -16.023 0.106 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.381 -0.866 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -17.085 -2.274 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.768 -0.801 -6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.069 0.600 -7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.537 -0.436 -9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -19.250 -1.825 -8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.973 -0.277 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.860 -0.303 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -20.203 0.996 -8.793 1.00 0.00 H new ATOM 1251 N ALA A 84 -13.196 -0.172 -5.272 1.00 0.00 N ATOM 1252 CA ALA A 84 -12.372 0.050 -4.083 1.00 0.00 C ATOM 1253 C ALA A 84 -12.597 1.445 -3.521 1.00 0.00 C ATOM 1254 O ALA A 84 -12.795 2.406 -4.272 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.893 -0.141 -4.418 1.00 0.00 C ATOM 0 H ALA A 84 -13.299 0.646 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.665 -0.680 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.293 0.027 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.730 -1.157 -4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.600 0.570 -5.191 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.566 1.546 -2.192 1.00 0.00 N ATOM 1262 CA GLU A 85 -12.767 2.818 -1.501 1.00 0.00 C ATOM 1263 C GLU A 85 -12.106 2.772 -0.122 1.00 0.00 C ATOM 1264 O GLU A 85 -11.786 1.697 0.362 1.00 0.00 O ATOM 1265 CB GLU A 85 -14.276 3.122 -1.385 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.987 2.013 -0.578 1.00 0.00 C ATOM 1267 CD GLU A 85 -16.481 2.314 -0.458 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.821 3.465 -0.226 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -17.262 1.389 -0.598 1.00 0.00 O ATOM 0 H GLU A 85 -12.402 0.755 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.302 3.620 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.423 4.086 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.716 3.196 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.842 1.049 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.544 1.937 0.415 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.894 3.944 0.498 1.00 0.00 N ATOM 1277 CA VAL A 86 -11.248 4.000 1.827 1.00 0.00 C ATOM 1278 C VAL A 86 -12.052 4.834 2.814 1.00 0.00 C ATOM 1279 O VAL A 86 -12.866 5.676 2.418 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.814 4.551 1.721 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.969 3.617 0.854 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -9.829 5.957 1.094 1.00 0.00 C ATOM 0 H VAL A 86 -12.153 4.852 0.112 1.00 0.00 H new ATOM 0 HA VAL A 86 -11.208 2.978 2.203 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.385 4.612 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.954 4.008 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.943 2.625 1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.406 3.551 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.809 6.335 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.266 5.906 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.423 6.627 1.716 1.00 0.00 H new ATOM 1292 N ARG A 87 -11.812 4.590 4.107 1.00 0.00 N ATOM 1293 CA ARG A 87 -12.505 5.313 5.174 1.00 0.00 C ATOM 1294 C ARG A 87 -11.521 5.852 6.204 1.00 0.00 C ATOM 1295 O ARG A 87 -10.451 5.272 6.423 1.00 0.00 O ATOM 1296 CB ARG A 87 -13.530 4.403 5.864 1.00 0.00 C ATOM 1297 CG ARG A 87 -14.602 3.925 4.857 1.00 0.00 C ATOM 1298 CD ARG A 87 -15.513 5.094 4.436 1.00 0.00 C ATOM 1299 NE ARG A 87 -16.198 5.666 5.613 1.00 0.00 N ATOM 1300 CZ ARG A 87 -17.332 5.137 6.145 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -17.894 4.061 5.629 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -17.875 5.707 7.186 1.00 0.00 N ATOM 0 H ARG A 87 -11.142 3.896 4.438 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.024 6.156 4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -13.024 3.542 6.300 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -14.007 4.940 6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.118 3.500 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.202 3.133 5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.921 5.865 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -16.250 4.746 3.712 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.801 6.499 6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -17.478 3.609 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.745 3.681 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.449 6.540 7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.726 5.319 7.594 1.00 0.00 H new ATOM 1316 N GLY A 88 -11.895 6.975 6.826 1.00 0.00 N ATOM 1317 CA GLY A 88 -11.051 7.622 7.836 1.00 0.00 C ATOM 1318 C GLY A 88 -9.963 8.516 7.204 1.00 0.00 C ATOM 1319 O GLY A 88 -9.140 9.093 7.921 1.00 0.00 O ATOM 0 H GLY A 88 -12.777 7.455 6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.675 8.224 8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.578 6.859 8.454 1.00 0.00 H new ATOM 1323 N ALA A 89 -9.957 8.613 5.859 1.00 0.00 N ATOM 1324 CA ALA A 89 -8.966 9.418 5.146 1.00 0.00 C ATOM 1325 C ALA A 89 -9.449 9.762 3.743 1.00 0.00 C ATOM 1326 O ALA A 89 -10.459 9.228 3.275 1.00 0.00 O ATOM 1327 CB ALA A 89 -7.642 8.666 5.061 1.00 0.00 C ATOM 0 H ALA A 89 -10.629 8.142 5.253 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.822 10.345 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.911 9.275 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.277 8.458 6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.790 7.727 4.527 1.00 0.00 H new ATOM 1333 N GLU A 90 -8.710 10.654 3.073 1.00 0.00 N ATOM 1334 CA GLU A 90 -9.046 11.073 1.709 1.00 0.00 C ATOM 1335 C GLU A 90 -8.102 10.422 0.699 1.00 0.00 C ATOM 1336 O GLU A 90 -6.935 10.165 1.007 1.00 0.00 O ATOM 1337 CB GLU A 90 -8.987 12.611 1.581 1.00 0.00 C ATOM 1338 CG GLU A 90 -7.586 13.129 1.964 1.00 0.00 C ATOM 1339 CD GLU A 90 -7.541 14.653 1.866 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -8.042 15.181 0.885 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -7.007 15.269 2.773 1.00 0.00 O ATOM 0 H GLU A 90 -7.875 11.099 3.454 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.064 10.747 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.224 12.907 0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.739 13.065 2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.339 12.815 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.836 12.693 1.304 1.00 0.00 H new ATOM 1348 N ILE A 91 -8.627 10.133 -0.494 1.00 0.00 N ATOM 1349 CA ILE A 91 -7.846 9.477 -1.547 1.00 0.00 C ATOM 1350 C ILE A 91 -7.100 10.518 -2.387 1.00 0.00 C ATOM 1351 O ILE A 91 -7.713 11.430 -2.952 1.00 0.00 O ATOM 1352 CB ILE A 91 -8.775 8.617 -2.453 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -9.492 7.554 -1.591 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -7.937 7.903 -3.541 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -10.637 6.907 -2.388 1.00 0.00 C ATOM 0 H ILE A 91 -9.590 10.343 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.113 8.821 -1.077 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.509 9.267 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.781 6.790 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.885 8.015 -0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.594 7.303 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.426 8.646 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.200 7.256 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.134 6.160 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.356 7.673 -2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.234 6.429 -3.281 1.00 0.00 H new ATOM 1367 N GLU A 92 -5.782 10.342 -2.488 1.00 0.00 N ATOM 1368 CA GLU A 92 -4.943 11.230 -3.294 1.00 0.00 C ATOM 1369 C GLU A 92 -4.979 10.802 -4.755 1.00 0.00 C ATOM 1370 O GLU A 92 -5.055 11.642 -5.657 1.00 0.00 O ATOM 1371 CB GLU A 92 -3.498 11.197 -2.791 1.00 0.00 C ATOM 1372 CG GLU A 92 -3.435 11.712 -1.355 1.00 0.00 C ATOM 1373 CD GLU A 92 -2.001 11.662 -0.849 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -1.160 12.322 -1.437 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -1.763 10.958 0.117 1.00 0.00 O ATOM 0 H GLU A 92 -5.272 9.592 -2.021 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.331 12.245 -3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.110 10.179 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.866 11.809 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.810 12.734 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.077 11.108 -0.714 1.00 0.00 H new ATOM 1382 N TYR A 93 -4.937 9.480 -4.977 1.00 0.00 N ATOM 1383 CA TYR A 93 -4.982 8.925 -6.324 1.00 0.00 C ATOM 1384 C TYR A 93 -5.151 7.408 -6.271 1.00 0.00 C ATOM 1385 O TYR A 93 -4.567 6.741 -5.410 1.00 0.00 O ATOM 1386 CB TYR A 93 -3.698 9.270 -7.083 1.00 0.00 C ATOM 1387 CG TYR A 93 -3.938 9.166 -8.577 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -4.376 10.289 -9.295 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -3.732 7.952 -9.236 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -4.606 10.193 -10.672 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -3.961 7.855 -10.615 1.00 0.00 C ATOM 1392 CZ TYR A 93 -4.397 8.975 -11.333 1.00 0.00 C ATOM 1393 OH TYR A 93 -4.623 8.879 -12.692 1.00 0.00 O ATOM 0 H TYR A 93 -4.872 8.781 -4.237 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.835 9.360 -6.845 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.374 10.279 -6.827 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.897 8.593 -6.787 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.536 11.228 -8.785 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.396 7.088 -8.683 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.944 11.057 -11.225 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.801 6.916 -11.124 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.429 7.966 -12.992 1.00 0.00 H new ATOM 1403 N ALA A 94 -5.931 6.871 -7.211 1.00 0.00 N ATOM 1404 CA ALA A 94 -6.160 5.429 -7.296 1.00 0.00 C ATOM 1405 C ALA A 94 -5.974 4.944 -8.732 1.00 0.00 C ATOM 1406 O ALA A 94 -6.381 5.621 -9.683 1.00 0.00 O ATOM 1407 CB ALA A 94 -7.572 5.089 -6.814 1.00 0.00 C ATOM 0 H ALA A 94 -6.415 7.415 -7.925 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.434 4.926 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.730 4.013 -6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.690 5.408 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.303 5.603 -7.438 1.00 0.00 H new ATOM 1413 N MET A 95 -5.359 3.767 -8.877 1.00 0.00 N ATOM 1414 CA MET A 95 -5.116 3.177 -10.193 1.00 0.00 C ATOM 1415 C MET A 95 -5.025 1.651 -10.099 1.00 0.00 C ATOM 1416 O MET A 95 -4.913 1.095 -9.002 1.00 0.00 O ATOM 1417 CB MET A 95 -3.834 3.766 -10.831 1.00 0.00 C ATOM 1418 CG MET A 95 -2.609 3.432 -9.970 1.00 0.00 C ATOM 1419 SD MET A 95 -1.115 4.118 -10.734 1.00 0.00 S ATOM 1420 CE MET A 95 -1.412 5.859 -10.334 1.00 0.00 C ATOM 0 H MET A 95 -5.020 3.204 -8.097 1.00 0.00 H new ATOM 0 HA MET A 95 -5.960 3.426 -10.836 1.00 0.00 H new ATOM 0 HB2 MET A 95 -3.702 3.364 -11.835 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.933 4.847 -10.931 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.736 3.840 -8.967 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.511 2.352 -9.864 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.488 6.313 -9.975 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.751 6.385 -11.227 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.176 5.929 -9.559 1.00 0.00 H new ATOM 1430 N ALA A 96 -5.085 0.990 -11.254 1.00 0.00 N ATOM 1431 CA ALA A 96 -5.023 -0.468 -11.317 1.00 0.00 C ATOM 1432 C ALA A 96 -4.102 -0.911 -12.449 1.00 0.00 C ATOM 1433 O ALA A 96 -3.952 -0.198 -13.438 1.00 0.00 O ATOM 1434 CB ALA A 96 -6.432 -1.037 -11.531 1.00 0.00 C ATOM 0 H ALA A 96 -5.177 1.444 -12.163 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.623 -0.846 -10.376 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.382 -2.125 -11.578 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.075 -0.738 -10.703 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.842 -0.652 -12.465 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.479 -2.087 -12.291 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.575 -2.622 -13.320 1.00 0.00 C ATOM 1442 C TYR A 97 -3.072 -3.967 -13.846 1.00 0.00 C ATOM 1443 O TYR A 97 -3.016 -4.978 -13.137 1.00 0.00 O ATOM 1444 CB TYR A 97 -1.161 -2.779 -12.756 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.591 -1.421 -12.416 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.704 -0.917 -11.115 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.054 -0.669 -13.404 1.00 0.00 C ATOM 1448 CE1 TYR A 97 -0.169 0.339 -10.804 1.00 0.00 C ATOM 1449 CE2 TYR A 97 0.587 0.587 -13.093 1.00 0.00 C ATOM 1450 CZ TYR A 97 0.476 1.091 -11.794 1.00 0.00 C ATOM 1451 OH TYR A 97 1.005 2.329 -11.487 1.00 0.00 O ATOM 0 H TYR A 97 -3.582 -2.682 -11.469 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.556 -1.913 -14.148 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.183 -3.408 -11.866 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.523 -3.279 -13.484 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.203 -1.496 -10.352 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.141 -1.058 -14.408 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.254 0.728 -9.800 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.084 1.167 -13.857 1.00 0.00 H new ATOM 0 HH TYR A 97 0.349 3.026 -11.696 1.00 0.00 H new ATOM 1461 N SER A 98 -3.539 -3.977 -15.106 1.00 0.00 N ATOM 1462 CA SER A 98 -4.024 -5.211 -15.742 1.00 0.00 C ATOM 1463 C SER A 98 -2.901 -6.220 -15.884 1.00 0.00 C ATOM 1464 O SER A 98 -3.093 -7.418 -15.652 1.00 0.00 O ATOM 1465 CB SER A 98 -4.609 -4.910 -17.120 1.00 0.00 C ATOM 1466 OG SER A 98 -5.774 -4.120 -16.974 1.00 0.00 O ATOM 0 H SER A 98 -3.590 -3.149 -15.700 1.00 0.00 H new ATOM 0 HA SER A 98 -4.802 -5.631 -15.104 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.875 -4.386 -17.732 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.849 -5.840 -17.636 1.00 0.00 H new ATOM 0 HG SER A 98 -6.520 -4.687 -16.686 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.726 -5.721 -16.271 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.553 -6.561 -16.457 1.00 0.00 C ATOM 1474 C LYS A 99 0.703 -5.830 -16.010 1.00 0.00 C ATOM 1475 O LYS A 99 0.903 -4.654 -16.336 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.423 -6.980 -17.931 1.00 0.00 C ATOM 1477 CG LYS A 99 0.699 -8.028 -18.090 1.00 0.00 C ATOM 1478 CD LYS A 99 0.199 -9.412 -17.636 1.00 0.00 C ATOM 1479 CE LYS A 99 -0.666 -10.041 -18.734 1.00 0.00 C ATOM 1480 NZ LYS A 99 0.208 -10.498 -19.854 1.00 0.00 N ATOM 0 H LYS A 99 -1.566 -4.732 -16.462 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.672 -7.456 -15.846 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.368 -7.392 -18.284 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.206 -6.107 -18.547 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.021 -8.072 -19.130 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.567 -7.735 -17.500 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.047 -10.060 -17.414 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.378 -9.316 -16.717 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.229 -10.883 -18.331 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.394 -9.316 -19.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.293 -11.218 -20.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.444 -9.688 -20.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.083 -10.907 -19.467 1.00 0.00 H new ATOM 1494 N ALA A 100 1.553 -6.546 -15.282 1.00 0.00 N ATOM 1495 CA ALA A 100 2.812 -5.996 -14.800 1.00 0.00 C ATOM 1496 C ALA A 100 3.870 -6.086 -15.889 1.00 0.00 C ATOM 1497 O ALA A 100 3.903 -7.057 -16.653 1.00 0.00 O ATOM 1498 CB ALA A 100 3.279 -6.754 -13.557 1.00 0.00 C ATOM 0 H ALA A 100 1.390 -7.516 -15.012 1.00 0.00 H new ATOM 0 HA ALA A 100 2.659 -4.949 -14.537 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.221 -6.333 -13.207 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.528 -6.664 -12.772 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.421 -7.806 -13.804 1.00 0.00 H new ATOM 1599 N ASP A 107 4.360 -2.307 -18.853 1.00 0.00 N ATOM 1600 CA ASP A 107 3.344 -2.210 -17.801 1.00 0.00 C ATOM 1601 C ASP A 107 2.084 -1.524 -18.333 1.00 0.00 C ATOM 1602 O ASP A 107 2.128 -0.352 -18.720 1.00 0.00 O ATOM 1603 CB ASP A 107 3.899 -1.419 -16.604 1.00 0.00 C ATOM 1604 CG ASP A 107 2.889 -1.377 -15.434 1.00 0.00 C ATOM 1605 OD1 ASP A 107 1.743 -1.778 -15.624 1.00 0.00 O ATOM 1606 OD2 ASP A 107 3.282 -0.940 -14.364 1.00 0.00 O ATOM 0 HA ASP A 107 3.085 -3.218 -17.478 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.830 -1.874 -16.266 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.137 -0.402 -16.917 1.00 0.00 H new ATOM 1611 N VAL A 108 0.968 -2.271 -18.375 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.300 -1.732 -18.897 1.00 0.00 C ATOM 1613 C VAL A 108 -1.279 -1.385 -17.724 1.00 0.00 C ATOM 1614 O VAL A 108 -1.845 -2.296 -17.114 1.00 0.00 O ATOM 1615 CB VAL A 108 -0.953 -2.784 -19.838 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.278 -2.249 -20.408 1.00 0.00 C ATOM 1617 CG2 VAL A 108 -0.005 -3.098 -21.008 1.00 0.00 C ATOM 0 H VAL A 108 0.917 -3.239 -18.058 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.095 -0.817 -19.452 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.146 -3.687 -19.259 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.721 -2.998 -21.064 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.965 -2.032 -19.590 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.089 -1.337 -20.974 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.468 -3.836 -21.664 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.193 -2.186 -21.571 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.933 -3.496 -20.620 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.520 -0.080 -17.424 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.476 0.335 -16.353 1.00 0.00 C ATOM 1629 C PRO A 109 -3.913 0.526 -16.869 1.00 0.00 C ATOM 1630 O PRO A 109 -4.124 0.965 -18.003 1.00 0.00 O ATOM 1631 CB PRO A 109 -1.894 1.663 -15.904 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.386 2.284 -17.169 1.00 0.00 C ATOM 1633 CD PRO A 109 -0.905 1.125 -18.058 1.00 0.00 C ATOM 0 HA PRO A 109 -2.569 -0.415 -15.567 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.649 2.289 -15.428 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.093 1.522 -15.179 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.172 2.854 -17.665 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.572 2.978 -16.961 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.234 1.248 -19.090 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.183 1.058 -18.076 1.00 0.00 H new ATOM 1641 N LEU A 110 -4.885 0.272 -15.987 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.305 0.493 -16.286 1.00 0.00 C ATOM 1643 C LEU A 110 -6.659 1.957 -16.060 1.00 0.00 C ATOM 1644 O LEU A 110 -5.922 2.673 -15.368 1.00 0.00 O ATOM 1645 CB LEU A 110 -7.186 -0.395 -15.393 1.00 0.00 C ATOM 1646 CG LEU A 110 -7.038 -1.871 -15.805 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -7.676 -2.773 -14.735 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -7.746 -2.108 -17.153 1.00 0.00 C ATOM 0 H LEU A 110 -4.712 -0.091 -15.050 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.486 0.233 -17.329 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.901 -0.271 -14.348 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.229 -0.088 -15.477 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.979 -2.109 -15.902 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.570 -3.817 -15.029 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.177 -2.613 -13.779 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.734 -2.529 -14.637 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.639 -3.154 -17.441 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.804 -1.865 -17.056 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.296 -1.473 -17.917 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.775 2.413 -16.656 1.00 0.00 N ATOM 1661 CA LYS A 111 -8.187 3.808 -16.515 1.00 0.00 C ATOM 1662 C LYS A 111 -9.129 4.000 -15.318 1.00 0.00 C ATOM 1663 O LYS A 111 -10.165 3.336 -15.224 1.00 0.00 O ATOM 1664 CB LYS A 111 -8.820 4.324 -17.844 1.00 0.00 C ATOM 1665 CG LYS A 111 -10.268 3.806 -18.027 1.00 0.00 C ATOM 1666 CD LYS A 111 -10.792 4.204 -19.416 1.00 0.00 C ATOM 1667 CE LYS A 111 -10.160 3.308 -20.490 1.00 0.00 C ATOM 1668 NZ LYS A 111 -10.736 3.649 -21.822 1.00 0.00 N ATOM 0 H LYS A 111 -8.395 1.841 -17.230 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.300 4.408 -16.312 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.820 5.414 -17.848 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -8.209 4.002 -18.687 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.293 2.722 -17.916 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.913 4.221 -17.252 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.878 4.111 -19.445 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.556 5.249 -19.617 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.079 3.445 -20.503 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.345 2.259 -20.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.308 3.042 -22.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -11.765 3.497 -21.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.537 4.646 -22.041 1.00 0.00 H new ATOM 1682 N THR A 112 -8.777 4.942 -14.436 1.00 0.00 N ATOM 1683 CA THR A 112 -9.617 5.257 -13.271 1.00 0.00 C ATOM 1684 C THR A 112 -11.045 5.648 -13.709 1.00 0.00 C ATOM 1685 O THR A 112 -11.992 5.540 -12.933 1.00 0.00 O ATOM 1686 CB THR A 112 -8.982 6.390 -12.436 1.00 0.00 C ATOM 1687 OG1 THR A 112 -9.804 6.665 -11.308 1.00 0.00 O ATOM 1688 CG2 THR A 112 -8.826 7.662 -13.286 1.00 0.00 C ATOM 0 H THR A 112 -7.924 5.497 -14.504 1.00 0.00 H new ATOM 0 HA THR A 112 -9.684 4.363 -12.652 1.00 0.00 H new ATOM 0 HB THR A 112 -7.995 6.071 -12.102 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.401 7.383 -10.777 1.00 0.00 H new ATOM 0 HG21 THR A 112 -8.377 8.450 -12.682 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.185 7.451 -14.142 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.805 7.987 -13.637 1.00 0.00 H new ATOM 1696 N GLU A 113 -11.172 6.087 -14.967 1.00 0.00 N ATOM 1697 CA GLU A 113 -12.447 6.486 -15.544 1.00 0.00 C ATOM 1698 C GLU A 113 -13.446 5.316 -15.571 1.00 0.00 C ATOM 1699 O GLU A 113 -14.661 5.538 -15.581 1.00 0.00 O ATOM 1700 CB GLU A 113 -12.226 7.020 -16.964 1.00 0.00 C ATOM 1701 CG GLU A 113 -13.514 7.675 -17.480 1.00 0.00 C ATOM 1702 CD GLU A 113 -13.310 8.225 -18.896 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -12.240 8.756 -19.164 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -14.227 8.105 -19.692 1.00 0.00 O ATOM 0 H GLU A 113 -10.385 6.173 -15.611 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.871 7.271 -14.918 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.412 7.745 -16.967 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.930 6.206 -17.626 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.324 6.946 -17.481 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.812 8.482 -16.810 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.928 4.075 -15.655 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.789 2.891 -15.766 1.00 0.00 C ATOM 1713 C GLU A 114 -14.682 2.703 -14.507 1.00 0.00 C ATOM 1714 O GLU A 114 -15.696 2.000 -14.562 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.930 1.625 -16.076 1.00 0.00 C ATOM 1716 CG GLU A 114 -12.176 1.133 -14.832 1.00 0.00 C ATOM 1717 CD GLU A 114 -11.058 0.192 -15.250 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -10.305 0.559 -16.137 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -10.970 -0.884 -14.681 1.00 0.00 O ATOM 0 H GLU A 114 -11.928 3.872 -15.648 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.473 3.044 -16.601 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.575 0.830 -16.449 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.216 1.854 -16.867 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.765 1.981 -14.285 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.862 0.621 -14.158 1.00 0.00 H new ATOM 1726 N PHE A 115 -14.327 3.393 -13.401 1.00 0.00 N ATOM 1727 CA PHE A 115 -15.136 3.354 -12.170 1.00 0.00 C ATOM 1728 C PHE A 115 -15.017 4.671 -11.374 1.00 0.00 C ATOM 1729 O PHE A 115 -14.110 5.470 -11.611 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.767 2.142 -11.283 1.00 0.00 C ATOM 1731 CG PHE A 115 -13.345 2.278 -10.751 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -13.119 2.942 -9.540 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -12.269 1.741 -11.464 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.816 3.072 -9.044 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.965 1.869 -10.968 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.740 2.536 -9.758 1.00 0.00 C ATOM 0 H PHE A 115 -13.493 3.977 -13.338 1.00 0.00 H new ATOM 0 HA PHE A 115 -16.176 3.238 -12.475 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -15.467 2.068 -10.451 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.859 1.222 -11.860 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.950 3.355 -8.988 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.443 1.227 -12.398 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -11.642 3.586 -8.110 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -10.134 1.453 -11.519 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.735 2.637 -9.376 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.952 4.881 -10.443 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.978 6.093 -9.613 1.00 0.00 C ATOM 1748 C GLU A 116 -15.851 5.733 -8.119 1.00 0.00 C ATOM 1749 O GLU A 116 -16.510 4.808 -7.636 1.00 0.00 O ATOM 1750 CB GLU A 116 -17.290 6.866 -9.861 1.00 0.00 C ATOM 1751 CG GLU A 116 -17.305 8.183 -9.049 1.00 0.00 C ATOM 1752 CD GLU A 116 -16.194 9.146 -9.518 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -15.737 9.014 -10.648 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -15.820 10.003 -8.734 1.00 0.00 O ATOM 0 H GLU A 116 -16.706 4.224 -10.243 1.00 0.00 H new ATOM 0 HA GLU A 116 -15.131 6.722 -9.887 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -17.394 7.086 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -18.142 6.248 -9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.276 8.666 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.173 7.961 -7.990 1.00 0.00 H new ATOM 1761 N VAL A 117 -15.014 6.493 -7.401 1.00 0.00 N ATOM 1762 CA VAL A 117 -14.807 6.282 -5.959 1.00 0.00 C ATOM 1763 C VAL A 117 -14.994 7.589 -5.183 1.00 0.00 C ATOM 1764 O VAL A 117 -14.705 8.674 -5.696 1.00 0.00 O ATOM 1765 CB VAL A 117 -13.406 5.697 -5.686 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -13.286 4.329 -6.354 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -12.318 6.633 -6.245 1.00 0.00 C ATOM 0 H VAL A 117 -14.468 7.260 -7.794 1.00 0.00 H new ATOM 0 HA VAL A 117 -15.555 5.567 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.270 5.597 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.296 3.916 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -14.044 3.659 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.432 4.435 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.334 6.208 -6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.453 6.746 -7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.396 7.609 -5.765 1.00 0.00 H new ATOM 1777 N THR A 118 -15.490 7.467 -3.950 1.00 0.00 N ATOM 1778 CA THR A 118 -15.737 8.626 -3.090 1.00 0.00 C ATOM 1779 C THR A 118 -15.265 8.347 -1.671 1.00 0.00 C ATOM 1780 O THR A 118 -15.152 7.187 -1.261 1.00 0.00 O ATOM 1781 CB THR A 118 -17.231 8.977 -3.085 1.00 0.00 C ATOM 1782 OG1 THR A 118 -17.704 9.036 -4.424 1.00 0.00 O ATOM 1783 CG2 THR A 118 -17.440 10.339 -2.415 1.00 0.00 C ATOM 0 H THR A 118 -15.730 6.572 -3.523 1.00 0.00 H new ATOM 0 HA THR A 118 -15.176 9.473 -3.486 1.00 0.00 H new ATOM 0 HB THR A 118 -17.779 8.214 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 118 -18.658 9.258 -4.424 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.502 10.585 -2.413 1.00 0.00 H new ATOM 0 HG22 THR A 118 -17.075 10.299 -1.389 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.892 11.103 -2.966 1.00 0.00 H new ATOM 1791 N LYS A 119 -15.000 9.418 -0.925 1.00 0.00 N ATOM 1792 CA LYS A 119 -14.544 9.304 0.465 1.00 0.00 C ATOM 1793 C LYS A 119 -15.536 8.499 1.324 1.00 0.00 C ATOM 1794 O LYS A 119 -15.156 7.935 2.355 1.00 0.00 O ATOM 1795 CB LYS A 119 -14.337 10.707 1.071 1.00 0.00 C ATOM 1796 CG LYS A 119 -15.666 11.505 1.051 1.00 0.00 C ATOM 1797 CD LYS A 119 -15.379 13.019 1.173 1.00 0.00 C ATOM 1798 CE LYS A 119 -15.228 13.415 2.650 1.00 0.00 C ATOM 1799 NZ LYS A 119 -13.866 13.047 3.129 1.00 0.00 N ATOM 0 H LYS A 119 -15.093 10.378 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 119 -13.595 8.767 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.974 10.618 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.574 11.245 0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -16.207 11.303 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -16.306 11.181 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.469 13.269 0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.190 13.588 0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.389 14.487 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -15.985 12.911 3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.514 13.783 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.909 12.138 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.223 12.963 2.316 1.00 0.00 H new ATOM 1813 N THR A 120 -16.806 8.462 0.893 1.00 0.00 N ATOM 1814 CA THR A 120 -17.850 7.737 1.625 1.00 0.00 C ATOM 1815 C THR A 120 -18.941 7.194 0.676 1.00 0.00 C ATOM 1816 O THR A 120 -20.090 6.995 1.087 1.00 0.00 O ATOM 1817 CB THR A 120 -18.468 8.653 2.700 1.00 0.00 C ATOM 1818 OG1 THR A 120 -19.446 7.931 3.434 1.00 0.00 O ATOM 1819 CG2 THR A 120 -19.121 9.884 2.046 1.00 0.00 C ATOM 0 H THR A 120 -17.132 8.924 0.044 1.00 0.00 H new ATOM 0 HA THR A 120 -17.389 6.877 2.111 1.00 0.00 H new ATOM 0 HB THR A 120 -17.678 8.989 3.372 1.00 0.00 H new ATOM 0 HG1 THR A 120 -20.044 7.466 2.812 1.00 0.00 H new ATOM 0 HG21 THR A 120 -19.553 10.520 2.819 1.00 0.00 H new ATOM 0 HG22 THR A 120 -18.368 10.445 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 120 -19.906 9.560 1.363 1.00 0.00 H new ATOM 1827 N ALA A 121 -18.563 6.956 -0.589 1.00 0.00 N ATOM 1828 CA ALA A 121 -19.491 6.439 -1.595 1.00 0.00 C ATOM 1829 C ALA A 121 -18.728 5.736 -2.718 1.00 0.00 C ATOM 1830 O ALA A 121 -17.533 5.969 -2.903 1.00 0.00 O ATOM 1831 CB ALA A 121 -20.340 7.581 -2.170 1.00 0.00 C ATOM 0 H ALA A 121 -17.617 7.115 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 121 -20.150 5.715 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -21.026 7.183 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -20.909 8.051 -1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -19.688 8.321 -2.634 1.00 0.00 H new ATOM 1837 N VAL A 122 -19.430 4.872 -3.458 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.822 4.135 -4.567 1.00 0.00 C ATOM 1839 C VAL A 122 -19.822 3.983 -5.730 1.00 0.00 C ATOM 1840 O VAL A 122 -21.010 3.726 -5.507 1.00 0.00 O ATOM 1841 CB VAL A 122 -18.321 2.754 -4.071 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -19.495 1.906 -3.565 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -17.603 2.013 -5.209 1.00 0.00 C ATOM 0 H VAL A 122 -20.418 4.667 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.966 4.696 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 122 -17.623 2.916 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -19.125 0.940 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -19.987 2.421 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -20.209 1.753 -4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -17.255 1.044 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -18.293 1.866 -6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -16.750 2.603 -5.546 1.00 0.00 H new ATOM 1853 N ALA A 123 -19.327 4.159 -6.964 1.00 0.00 N ATOM 1854 CA ALA A 123 -20.173 4.058 -8.158 1.00 0.00 C ATOM 1855 C ALA A 123 -19.370 3.548 -9.354 1.00 0.00 C ATOM 1856 O ALA A 123 -18.142 3.613 -9.356 1.00 0.00 O ATOM 1857 CB ALA A 123 -20.780 5.422 -8.486 1.00 0.00 C ATOM 0 H ALA A 123 -18.349 4.371 -7.159 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.972 3.347 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -21.407 5.337 -9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -21.385 5.762 -7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.982 6.140 -8.672 1.00 0.00 H new ATOM 1863 N HIS A 124 -20.081 3.029 -10.366 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.441 2.502 -11.577 1.00 0.00 C ATOM 1865 C HIS A 124 -19.608 3.460 -12.757 1.00 0.00 C ATOM 1866 O HIS A 124 -20.564 4.241 -12.806 1.00 0.00 O ATOM 1867 CB HIS A 124 -20.019 1.112 -11.940 1.00 0.00 C ATOM 1868 CG HIS A 124 -21.512 1.201 -12.186 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -22.431 1.247 -11.149 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -22.249 1.248 -13.343 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.659 1.319 -11.700 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.603 1.323 -13.036 1.00 0.00 N ATOM 0 H HIS A 124 -21.099 2.964 -10.368 1.00 0.00 H new ATOM 0 HA HIS A 124 -18.376 2.400 -11.367 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.521 0.726 -12.830 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.820 0.407 -11.133 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.839 1.230 -14.342 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.576 1.368 -11.132 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -24.385 1.371 -13.689 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.679 3.372 -13.710 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.715 4.205 -14.911 1.00 0.00 C ATOM 1882 C ARG A 125 -18.958 3.333 -16.159 1.00 0.00 C ATOM 1883 O ARG A 125 -18.571 2.161 -16.166 1.00 0.00 O ATOM 1884 CB ARG A 125 -17.386 4.954 -15.080 1.00 0.00 C ATOM 1885 CG ARG A 125 -17.121 5.878 -13.874 1.00 0.00 C ATOM 1886 CD ARG A 125 -18.070 7.087 -13.906 1.00 0.00 C ATOM 1887 NE ARG A 125 -17.862 7.877 -15.136 1.00 0.00 N ATOM 1888 CZ ARG A 125 -16.862 8.787 -15.275 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -15.995 9.008 -14.304 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -16.758 9.457 -16.390 1.00 0.00 N ATOM 0 H ARG A 125 -17.889 2.728 -13.672 1.00 0.00 H new ATOM 0 HA ARG A 125 -19.528 4.923 -14.802 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.570 4.238 -15.182 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -17.409 5.543 -15.997 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.259 5.324 -12.946 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.086 6.220 -13.890 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -19.104 6.746 -13.857 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.899 7.714 -13.031 1.00 0.00 H new ATOM 0 HE ARG A 125 -18.499 7.733 -15.919 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -16.068 8.491 -13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -15.252 9.696 -14.430 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -17.423 9.295 -17.146 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -16.011 10.142 -16.505 1.00 0.00 H new ATOM 1904 N PRO A 126 -19.547 3.884 -17.244 1.00 0.00 N ATOM 1905 CA PRO A 126 -19.761 3.107 -18.508 1.00 0.00 C ATOM 1906 C PRO A 126 -18.438 2.563 -19.032 1.00 0.00 C ATOM 1907 O PRO A 126 -17.396 3.215 -18.898 1.00 0.00 O ATOM 1908 CB PRO A 126 -20.347 4.142 -19.477 1.00 0.00 C ATOM 1909 CG PRO A 126 -20.977 5.167 -18.599 1.00 0.00 C ATOM 1910 CD PRO A 126 -20.071 5.274 -17.380 1.00 0.00 C ATOM 0 HA PRO A 126 -20.411 2.243 -18.371 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.571 4.581 -20.105 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -21.079 3.689 -20.145 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -21.059 6.125 -19.112 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.986 4.871 -18.313 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -19.269 5.997 -17.532 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.620 5.589 -16.493 1.00 0.00 H new ATOM 1918 N GLY A 127 -18.478 1.353 -19.593 1.00 0.00 N ATOM 1919 CA GLY A 127 -17.266 0.702 -20.100 1.00 0.00 C ATOM 1920 C GLY A 127 -16.488 -0.023 -18.979 1.00 0.00 C ATOM 1921 O GLY A 127 -15.332 -0.413 -19.176 1.00 0.00 O ATOM 0 H GLY A 127 -19.331 0.806 -19.708 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -17.536 -0.014 -20.876 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -16.621 1.448 -20.565 1.00 0.00 H new ATOM 1925 N ALA A 128 -17.133 -0.204 -17.808 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.505 -0.885 -16.675 1.00 0.00 C ATOM 1927 C ALA A 128 -16.064 -2.288 -17.078 1.00 0.00 C ATOM 1928 O ALA A 128 -16.686 -2.922 -17.936 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.483 -0.967 -15.501 1.00 0.00 C ATOM 0 H ALA A 128 -18.086 0.114 -17.630 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.629 -0.313 -16.370 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -17.005 -1.476 -14.664 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.772 0.039 -15.197 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.370 -1.523 -15.805 1.00 0.00 H new ATOM 1935 N PHE A 129 -14.960 -2.748 -16.482 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.393 -4.069 -16.809 1.00 0.00 C ATOM 1937 C PHE A 129 -15.084 -5.192 -16.043 1.00 0.00 C ATOM 1938 O PHE A 129 -15.462 -5.028 -14.881 1.00 0.00 O ATOM 1939 CB PHE A 129 -12.891 -4.091 -16.519 1.00 0.00 C ATOM 1940 CG PHE A 129 -12.167 -3.231 -17.529 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -11.999 -1.865 -17.294 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -11.667 -3.807 -18.702 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -11.329 -1.070 -18.231 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -10.997 -3.014 -19.640 1.00 0.00 C ATOM 1945 CZ PHE A 129 -10.827 -1.645 -19.404 1.00 0.00 C ATOM 0 H PHE A 129 -14.440 -2.231 -15.773 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.561 -4.238 -17.873 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.700 -3.724 -15.511 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.517 -5.114 -16.563 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -12.386 -1.422 -16.389 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -11.798 -4.864 -18.883 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -11.199 -0.013 -18.049 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -10.611 -3.458 -20.546 1.00 0.00 H new ATOM 0 HZ PHE A 129 -10.309 -1.033 -20.127 1.00 0.00 H new ATOM 1955 N LYS A 130 -15.234 -6.345 -16.713 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.872 -7.524 -16.106 1.00 0.00 C ATOM 1957 C LYS A 130 -15.122 -8.811 -16.470 1.00 0.00 C ATOM 1958 O LYS A 130 -14.966 -9.705 -15.632 1.00 0.00 O ATOM 1959 CB LYS A 130 -17.361 -7.643 -16.535 1.00 0.00 C ATOM 1960 CG LYS A 130 -17.513 -7.520 -18.067 1.00 0.00 C ATOM 1961 CD LYS A 130 -18.974 -7.785 -18.464 1.00 0.00 C ATOM 1962 CE LYS A 130 -19.838 -6.567 -18.122 1.00 0.00 C ATOM 1963 NZ LYS A 130 -19.468 -5.429 -19.010 1.00 0.00 N ATOM 0 H LYS A 130 -14.923 -6.486 -17.674 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.831 -7.390 -15.025 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -17.762 -8.600 -16.203 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.946 -6.865 -16.045 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -17.212 -6.525 -18.394 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -16.855 -8.232 -18.566 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -19.037 -7.998 -19.531 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -19.348 -8.665 -17.941 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -20.893 -6.810 -18.246 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -19.695 -6.288 -17.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -20.269 -4.770 -19.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -18.645 -4.932 -18.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -19.231 -5.790 -19.956 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.686 -8.906 -17.732 1.00 0.00 N ATOM 1978 CA ALA A 131 -13.975 -10.100 -18.225 1.00 0.00 C ATOM 1979 C ALA A 131 -12.448 -10.012 -18.021 1.00 0.00 C ATOM 1980 O ALA A 131 -11.736 -10.998 -18.241 1.00 0.00 O ATOM 1981 CB ALA A 131 -14.282 -10.315 -19.707 1.00 0.00 C ATOM 0 H ALA A 131 -14.811 -8.174 -18.432 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.332 -10.947 -17.639 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.753 -11.199 -20.064 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -15.355 -10.456 -19.840 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -13.957 -9.444 -20.276 1.00 0.00 H new ATOM 1987 N GLU A 132 -11.951 -8.826 -17.635 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.510 -8.615 -17.444 1.00 0.00 C ATOM 1989 C GLU A 132 -10.145 -8.618 -15.958 1.00 0.00 C ATOM 1990 O GLU A 132 -10.840 -8.015 -15.135 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.080 -7.293 -18.110 1.00 0.00 C ATOM 1992 CG GLU A 132 -8.549 -7.123 -18.033 1.00 0.00 C ATOM 1993 CD GLU A 132 -8.119 -5.833 -18.740 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -8.812 -4.837 -18.598 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -7.104 -5.865 -19.415 1.00 0.00 O ATOM 0 H GLU A 132 -12.524 -8.003 -17.450 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.974 -9.438 -17.917 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.401 -7.282 -19.152 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.570 -6.454 -17.617 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.231 -7.097 -16.991 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.058 -7.980 -18.495 1.00 0.00 H new ATOM 2002 N LEU A 133 -9.042 -9.299 -15.638 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.552 -9.392 -14.264 1.00 0.00 C ATOM 2004 C LEU A 133 -7.395 -8.424 -14.058 1.00 0.00 C ATOM 2005 O LEU A 133 -6.566 -8.243 -14.957 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.087 -10.842 -13.968 1.00 0.00 C ATOM 2007 CG LEU A 133 -9.278 -11.775 -13.577 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -9.915 -11.325 -12.252 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -10.352 -11.815 -14.693 1.00 0.00 C ATOM 0 H LEU A 133 -8.469 -9.797 -16.319 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.359 -9.130 -13.580 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -7.584 -11.247 -14.846 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.357 -10.830 -13.159 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.876 -12.780 -13.450 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.741 -11.990 -12.001 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -9.168 -11.360 -11.459 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.288 -10.306 -12.355 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -11.167 -12.473 -14.390 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.740 -10.810 -14.861 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.906 -12.190 -15.614 1.00 0.00 H new ATOM 2021 N SER A 134 -7.364 -7.774 -12.888 1.00 0.00 N ATOM 2022 CA SER A 134 -6.325 -6.786 -12.595 1.00 0.00 C ATOM 2023 C SER A 134 -6.157 -6.564 -11.095 1.00 0.00 C ATOM 2024 O SER A 134 -6.945 -7.058 -10.286 1.00 0.00 O ATOM 2025 CB SER A 134 -6.662 -5.459 -13.275 1.00 0.00 C ATOM 2026 OG SER A 134 -5.628 -4.520 -13.020 1.00 0.00 O ATOM 0 H SER A 134 -8.040 -7.914 -12.137 1.00 0.00 H new ATOM 0 HA SER A 134 -5.383 -7.174 -12.983 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.776 -5.607 -14.349 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.613 -5.079 -12.903 1.00 0.00 H new ATOM 0 HG SER A 134 -5.824 -4.035 -12.191 1.00 0.00 H new ATOM 2032 N LYS A 135 -5.133 -5.777 -10.743 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.853 -5.426 -9.348 1.00 0.00 C ATOM 2034 C LYS A 135 -5.021 -3.931 -9.119 1.00 0.00 C ATOM 2035 O LYS A 135 -4.841 -3.130 -10.039 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.436 -5.865 -8.938 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.378 -5.245 -9.860 1.00 0.00 C ATOM 2038 CD LYS A 135 -0.992 -5.715 -9.413 1.00 0.00 C ATOM 2039 CE LYS A 135 0.086 -5.066 -10.283 1.00 0.00 C ATOM 2040 NZ LYS A 135 -0.061 -5.531 -11.693 1.00 0.00 N ATOM 0 H LYS A 135 -4.480 -5.369 -11.412 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.573 -5.958 -8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.244 -5.568 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.363 -6.952 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.560 -5.539 -10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.437 -4.157 -9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.831 -5.456 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.926 -6.800 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -0.000 -3.980 -10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 135 1.076 -5.324 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.640 -5.050 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 0.092 -6.559 -11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -1.018 -5.309 -12.034 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.400 -3.568 -7.889 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.647 -2.168 -7.531 1.00 0.00 C ATOM 2056 C LEU A 136 -4.634 -1.653 -6.522 1.00 0.00 C ATOM 2057 O LEU A 136 -4.230 -2.369 -5.603 1.00 0.00 O ATOM 2058 CB LEU A 136 -7.054 -2.021 -6.943 1.00 0.00 C ATOM 2059 CG LEU A 136 -8.115 -2.224 -8.032 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -9.476 -2.449 -7.368 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -8.197 -0.964 -8.930 1.00 0.00 C ATOM 0 H LEU A 136 -5.543 -4.227 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.552 -1.578 -8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.199 -2.749 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.167 -1.033 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.845 -3.086 -8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -10.236 -2.594 -8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.429 -3.333 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -9.733 -1.580 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -8.952 -1.115 -9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -8.467 -0.101 -8.322 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.229 -0.788 -9.400 1.00 0.00 H new ATOM 2073 N VAL A 137 -4.296 -0.372 -6.662 1.00 0.00 N ATOM 2074 CA VAL A 137 -3.407 0.309 -5.737 1.00 0.00 C ATOM 2075 C VAL A 137 -3.984 1.695 -5.429 1.00 0.00 C ATOM 2076 O VAL A 137 -4.279 2.468 -6.346 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.978 0.402 -6.335 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.984 1.228 -7.625 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -1.022 1.040 -5.319 1.00 0.00 C ATOM 0 H VAL A 137 -4.634 0.219 -7.422 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.330 -0.253 -4.806 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.638 -0.607 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.973 1.281 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.642 0.757 -8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -2.342 2.235 -7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.022 1.101 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.371 2.042 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.992 0.431 -4.415 1.00 0.00 H new ATOM 2089 N ILE A 138 -4.208 1.962 -4.144 1.00 0.00 N ATOM 2090 CA ILE A 138 -4.834 3.221 -3.714 1.00 0.00 C ATOM 2091 C ILE A 138 -3.934 3.972 -2.734 1.00 0.00 C ATOM 2092 O ILE A 138 -3.517 3.420 -1.710 1.00 0.00 O ATOM 2093 CB ILE A 138 -6.219 2.938 -3.054 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -7.121 2.114 -4.026 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -6.924 4.267 -2.715 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.831 0.601 -3.893 1.00 0.00 C ATOM 0 H ILE A 138 -3.968 1.329 -3.381 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.979 3.845 -4.596 1.00 0.00 H new ATOM 0 HB ILE A 138 -6.056 2.367 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -8.171 2.308 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -6.944 2.434 -5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.890 4.059 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -6.307 4.840 -2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -7.074 4.843 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.471 0.046 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -5.786 0.408 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -7.032 0.281 -2.871 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.692 5.251 -3.032 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.900 6.114 -2.154 1.00 0.00 C ATOM 2110 C VAL A 139 -3.820 7.182 -1.557 1.00 0.00 C ATOM 2111 O VAL A 139 -4.503 7.902 -2.293 1.00 0.00 O ATOM 2112 CB VAL A 139 -1.739 6.773 -2.948 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.906 7.681 -2.027 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.826 5.683 -3.530 1.00 0.00 C ATOM 0 H VAL A 139 -4.034 5.712 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 139 -2.461 5.521 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 139 -2.166 7.371 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 139 -0.097 8.135 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.543 8.464 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.487 7.088 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 139 -0.013 6.149 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -0.414 5.082 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -1.403 5.044 -4.198 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.866 7.244 -0.221 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.745 8.187 0.473 1.00 0.00 C ATOM 2126 C ALA A 140 -4.003 8.952 1.558 1.00 0.00 C ATOM 2127 O ALA A 140 -3.124 8.407 2.233 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.931 7.441 1.090 1.00 0.00 C ATOM 0 H ALA A 140 -3.307 6.655 0.397 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.104 8.907 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.579 8.150 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -6.494 6.939 0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.565 6.702 1.802 1.00 0.00 H new ATOM 2134 N LYS A 141 -4.383 10.219 1.725 1.00 0.00 N ATOM 2135 CA LYS A 141 -3.789 11.087 2.731 1.00 0.00 C ATOM 2136 C LYS A 141 -4.667 11.110 3.975 1.00 0.00 C ATOM 2137 O LYS A 141 -5.890 11.260 3.871 1.00 0.00 O ATOM 2138 CB LYS A 141 -3.662 12.505 2.178 1.00 0.00 C ATOM 2139 CG LYS A 141 -2.680 13.312 3.040 1.00 0.00 C ATOM 2140 CD LYS A 141 -2.787 14.832 2.713 1.00 0.00 C ATOM 2141 CE LYS A 141 -1.680 15.251 1.737 1.00 0.00 C ATOM 2142 NZ LYS A 141 -2.056 14.843 0.353 1.00 0.00 N ATOM 0 H LYS A 141 -5.109 10.667 1.167 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.801 10.707 2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -3.313 12.473 1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -4.638 12.991 2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -2.893 13.146 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.662 12.967 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -3.763 15.049 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -2.710 15.414 3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -1.531 16.330 1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -0.736 14.786 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -1.397 14.113 0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -3.023 14.461 0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -2.011 15.669 -0.277 1.00 0.00 H new ATOM 2156 N ALA A 142 -4.044 10.948 5.147 1.00 0.00 N ATOM 2157 CA ALA A 142 -4.789 10.937 6.405 1.00 0.00 C ATOM 2158 C ALA A 142 -5.526 12.260 6.604 1.00 0.00 C ATOM 2159 O ALA A 142 -4.900 13.307 6.800 1.00 0.00 O ATOM 2160 CB ALA A 142 -3.835 10.680 7.583 1.00 0.00 C ATOM 0 H ALA A 142 -3.037 10.824 5.248 1.00 0.00 H new ATOM 0 HA ALA A 142 -5.525 10.134 6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -4.401 10.674 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -3.344 9.716 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -3.083 11.468 7.620 1.00 0.00 H new