USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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 CYS SG : rot 164:sc= 0.402 USER MOD Set 1.2: A 66 CYS SG : rot -129:sc= -12.5! USER MOD Set 1.3: A 92 CYS SG : rot -134:sc= -0.0848! USER MOD Set 1.4: A 95 CYS SG : rot 135:sc= -6.46! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 40:sc= 1.2 USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= 2.28 (180deg=1.34) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.691 F(o=-2.9,f=-0.69) USER MOD Single : A 48 GLN : amide:sc= -0.071 K(o=-0.071,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0482) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HE2:sc= -0.0798 X(o=-0.08,f=-0.065) USER MOD Single : A 75 ASN :FLIP amide:sc= -5.21! C(o=-7.2!,f=-5.2!) USER MOD Single : A 82 GLN : amide:sc=-0.00714 K(o=-0.0071,f=-1.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -113:sc=-0.00696 (180deg=-0.197) USER MOD Single : A 87 HIS : no HD1:sc= -0.469 K(o=-0.47,f=-1.9) USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= -0.206 (180deg=-0.34) USER MOD Single : A 97 HIS : no HD1:sc= -0.626 X(o=-0.63,f=-0.22) USER MOD Single : A 99 MET CE :methyl -155:sc= -0.0371 (180deg=-0.485) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 16 -18.557 -18.393 1.074 1.00 0.00 N ATOM 24 CA GLU A 16 -19.152 -18.634 -0.240 1.00 0.00 C ATOM 25 C GLU A 16 -20.423 -17.803 -0.426 1.00 0.00 C ATOM 26 O GLU A 16 -20.784 -17.498 -1.553 1.00 0.00 O ATOM 27 CB GLU A 16 -19.495 -20.126 -0.389 1.00 0.00 C ATOM 28 CG GLU A 16 -18.219 -20.979 -0.382 1.00 0.00 C ATOM 29 CD GLU A 16 -17.323 -20.676 -1.583 1.00 0.00 C ATOM 30 OE1 GLU A 16 -17.867 -20.452 -2.653 1.00 0.00 O ATOM 31 OE2 GLU A 16 -16.154 -21.003 -1.493 1.00 0.00 O ATOM 0 HA GLU A 16 -18.428 -18.341 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.151 -20.437 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.041 -20.288 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.665 -20.796 0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.489 -22.035 -0.388 1.00 0.00 H new ATOM 38 N ARG A 17 -21.232 -17.728 0.638 1.00 0.00 N ATOM 39 CA ARG A 17 -22.444 -16.903 0.615 1.00 0.00 C ATOM 40 C ARG A 17 -22.141 -15.425 0.415 1.00 0.00 C ATOM 41 O ARG A 17 -22.507 -14.860 -0.612 1.00 0.00 O ATOM 42 CB ARG A 17 -23.131 -17.044 1.981 1.00 0.00 C ATOM 43 CG ARG A 17 -23.717 -18.436 2.185 1.00 0.00 C ATOM 44 CD ARG A 17 -24.271 -18.521 3.612 1.00 0.00 C ATOM 45 NE ARG A 17 -25.338 -17.554 3.828 1.00 0.00 N ATOM 46 CZ ARG A 17 -26.613 -17.825 3.540 1.00 0.00 C ATOM 47 NH1 ARG A 17 -26.975 -19.040 3.228 1.00 0.00 N ATOM 48 NH2 ARG A 17 -27.532 -16.938 3.828 1.00 0.00 N ATOM 0 H ARG A 17 -21.072 -18.223 1.515 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.064 -17.243 -0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -22.411 -16.834 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.924 -16.301 2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.508 -18.625 1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -22.952 -19.197 2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.647 -19.527 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.467 -18.344 4.327 1.00 0.00 H new ATOM 0 HE ARG A 17 -25.103 -16.639 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -26.282 -19.788 3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -27.951 -19.241 3.009 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -27.269 -16.055 4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -28.511 -17.130 3.614 1.00 0.00 H new ATOM 62 N ILE A 18 -21.132 -14.979 1.155 1.00 0.00 N ATOM 63 CA ILE A 18 -20.632 -13.608 1.071 1.00 0.00 C ATOM 64 C ILE A 18 -20.087 -13.340 -0.309 1.00 0.00 C ATOM 65 O ILE A 18 -20.151 -12.215 -0.800 1.00 0.00 O ATOM 66 CB ILE A 18 -19.630 -13.331 2.200 1.00 0.00 C ATOM 67 CG1 ILE A 18 -20.378 -13.361 3.529 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.977 -11.970 1.997 1.00 0.00 C ATOM 69 CD1 ILE A 18 -19.395 -13.346 4.698 1.00 0.00 C ATOM 0 H ILE A 18 -20.635 -15.558 1.832 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.450 -12.903 1.220 1.00 0.00 H new ATOM 0 HB ILE A 18 -18.848 -14.090 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -21.045 -12.502 3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -21.001 -14.254 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -18.268 -11.783 2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.452 -11.957 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -19.743 -11.195 2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -19.947 -13.368 5.638 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -18.745 -14.219 4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -18.790 -12.440 4.653 1.00 0.00 H new ATOM 81 N ASP A 19 -19.335 -14.305 -0.829 1.00 0.00 N ATOM 82 CA ASP A 19 -18.592 -14.157 -2.069 1.00 0.00 C ATOM 83 C ASP A 19 -19.570 -13.943 -3.219 1.00 0.00 C ATOM 84 O ASP A 19 -19.277 -13.211 -4.159 1.00 0.00 O ATOM 85 CB ASP A 19 -17.776 -15.412 -2.319 1.00 0.00 C ATOM 86 CG ASP A 19 -16.409 -15.357 -1.583 1.00 0.00 C ATOM 87 OD1 ASP A 19 -16.033 -14.338 -1.105 1.00 0.00 O ATOM 88 OD2 ASP A 19 -15.868 -16.469 -1.367 1.00 0.00 O ATOM 0 H ASP A 19 -19.225 -15.221 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 19 -17.923 -13.299 -1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.336 -16.285 -1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.610 -15.532 -3.390 1.00 0.00 H new ATOM 93 N ILE A 20 -20.722 -14.622 -3.178 1.00 0.00 N ATOM 94 CA ILE A 20 -21.793 -14.394 -4.139 1.00 0.00 C ATOM 95 C ILE A 20 -22.318 -12.970 -4.044 1.00 0.00 C ATOM 96 O ILE A 20 -22.300 -12.219 -5.017 1.00 0.00 O ATOM 97 CB ILE A 20 -22.934 -15.392 -3.920 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.482 -16.816 -4.246 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.128 -15.015 -4.806 1.00 0.00 C ATOM 100 CD1 ILE A 20 -22.092 -16.964 -5.709 1.00 0.00 C ATOM 0 H ILE A 20 -20.932 -15.338 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.383 -14.542 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.228 -15.354 -2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -21.634 -17.081 -3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -23.285 -17.515 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -24.938 -15.727 -4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.470 -14.013 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -23.825 -15.037 -5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -21.777 -17.990 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -22.948 -16.724 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -21.271 -16.284 -5.937 1.00 0.00 H new ATOM 112 N LEU A 21 -22.532 -12.525 -2.793 1.00 0.00 N ATOM 113 CA LEU A 21 -22.972 -11.147 -2.531 1.00 0.00 C ATOM 114 C LEU A 21 -21.923 -10.153 -3.009 1.00 0.00 C ATOM 115 O LEU A 21 -22.265 -9.006 -3.283 1.00 0.00 O ATOM 116 CB LEU A 21 -23.279 -10.917 -1.054 1.00 0.00 C ATOM 117 CG LEU A 21 -24.697 -11.398 -0.712 1.00 0.00 C ATOM 118 CD1 LEU A 21 -24.794 -12.927 -0.774 1.00 0.00 C ATOM 119 CD2 LEU A 21 -25.075 -10.920 0.696 1.00 0.00 C ATOM 0 H LEU A 21 -22.408 -13.095 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 21 -23.895 -10.990 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -22.552 -11.448 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -23.183 -9.857 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 21 -25.385 -10.980 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -25.809 -13.237 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -24.545 -13.267 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.097 -13.365 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -26.081 -11.262 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -24.369 -11.327 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -25.043 -9.831 0.731 1.00 0.00 H new ATOM 131 N PHE A 22 -20.664 -10.499 -2.766 1.00 0.00 N ATOM 132 CA PHE A 22 -19.541 -9.636 -3.105 1.00 0.00 C ATOM 133 C PHE A 22 -19.534 -9.357 -4.606 1.00 0.00 C ATOM 134 O PHE A 22 -19.215 -8.249 -5.025 1.00 0.00 O ATOM 135 CB PHE A 22 -18.249 -10.336 -2.695 1.00 0.00 C ATOM 136 CG PHE A 22 -17.050 -9.490 -3.048 1.00 0.00 C ATOM 137 CD1 PHE A 22 -16.481 -8.668 -2.064 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.297 -9.816 -4.182 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.216 -8.101 -2.275 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.155 -9.073 -4.482 1.00 0.00 C ATOM 141 CZ PHE A 22 -14.562 -8.273 -3.503 1.00 0.00 C ATOM 0 H PHE A 22 -20.395 -11.381 -2.331 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.629 -8.686 -2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.260 -10.531 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.179 -11.302 -3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.016 -8.472 -1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -16.597 -10.635 -4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.744 -7.530 -1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.729 -9.117 -5.473 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.612 -7.793 -3.689 1.00 0.00 H new ATOM 151 N SER A 23 -19.712 -10.399 -5.408 1.00 0.00 N ATOM 152 CA SER A 23 -19.830 -10.238 -6.854 1.00 0.00 C ATOM 153 C SER A 23 -21.036 -9.371 -7.214 1.00 0.00 C ATOM 154 O SER A 23 -21.014 -8.683 -8.233 1.00 0.00 O ATOM 155 CB SER A 23 -19.971 -11.601 -7.529 1.00 0.00 C ATOM 156 OG SER A 23 -20.040 -11.442 -8.939 1.00 0.00 O ATOM 0 H SER A 23 -19.778 -11.364 -5.084 1.00 0.00 H new ATOM 0 HA SER A 23 -18.924 -9.746 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.123 -12.234 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 23 -20.868 -12.104 -7.167 1.00 0.00 H new ATOM 0 HG SER A 23 -20.129 -12.321 -9.363 1.00 0.00 H new ATOM 162 N LEU A 24 -22.164 -9.640 -6.549 1.00 0.00 N ATOM 163 CA LEU A 24 -23.385 -8.871 -6.774 1.00 0.00 C ATOM 164 C LEU A 24 -23.185 -7.410 -6.392 1.00 0.00 C ATOM 165 O LEU A 24 -23.671 -6.512 -7.074 1.00 0.00 O ATOM 166 CB LEU A 24 -24.527 -9.443 -5.928 1.00 0.00 C ATOM 167 CG LEU A 24 -24.943 -10.819 -6.456 1.00 0.00 C ATOM 168 CD1 LEU A 24 -25.894 -11.476 -5.448 1.00 0.00 C ATOM 169 CD2 LEU A 24 -25.653 -10.664 -7.805 1.00 0.00 C ATOM 0 H LEU A 24 -22.254 -10.381 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 24 -23.631 -8.937 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.212 -9.525 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.380 -8.765 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.058 -11.442 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.195 -12.457 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.387 -11.589 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -26.777 -10.850 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -25.947 -11.646 -8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -26.540 -10.043 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -24.978 -10.193 -8.519 1.00 0.00 H new ATOM 181 N ALA A 25 -22.502 -7.194 -5.269 1.00 0.00 N ATOM 182 CA ALA A 25 -22.221 -5.844 -4.801 1.00 0.00 C ATOM 183 C ALA A 25 -21.344 -5.118 -5.814 1.00 0.00 C ATOM 184 O ALA A 25 -21.410 -3.896 -5.933 1.00 0.00 O ATOM 185 CB ALA A 25 -21.504 -5.898 -3.453 1.00 0.00 C ATOM 0 H ALA A 25 -22.136 -7.935 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.162 -5.307 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.297 -4.884 -3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.136 -6.406 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.566 -6.443 -3.561 1.00 0.00 H new ATOM 191 N GLU A 26 -20.404 -5.853 -6.405 1.00 0.00 N ATOM 192 CA GLU A 26 -19.493 -5.254 -7.372 1.00 0.00 C ATOM 193 C GLU A 26 -20.221 -4.793 -8.637 1.00 0.00 C ATOM 194 O GLU A 26 -19.862 -3.751 -9.187 1.00 0.00 O ATOM 195 CB GLU A 26 -18.426 -6.297 -7.721 1.00 0.00 C ATOM 196 CG GLU A 26 -17.382 -5.715 -8.681 1.00 0.00 C ATOM 197 CD GLU A 26 -16.282 -6.730 -8.998 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.450 -7.898 -8.688 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.288 -6.325 -9.578 1.00 0.00 O ATOM 0 H GLU A 26 -20.256 -6.848 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.039 -4.366 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.936 -6.640 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.898 -7.168 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.869 -5.405 -9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.938 -4.822 -8.240 1.00 0.00 H new ATOM 206 N ARG A 27 -21.110 -5.621 -9.188 1.00 0.00 N ATOM 207 CA ARG A 27 -21.846 -5.242 -10.399 1.00 0.00 C ATOM 208 C ARG A 27 -22.810 -4.080 -10.158 1.00 0.00 C ATOM 209 O ARG A 27 -23.024 -3.253 -11.043 1.00 0.00 O ATOM 210 CB ARG A 27 -22.623 -6.443 -10.939 1.00 0.00 C ATOM 211 CG ARG A 27 -23.316 -6.061 -12.247 1.00 0.00 C ATOM 212 CD ARG A 27 -24.076 -7.266 -12.812 1.00 0.00 C ATOM 213 NE ARG A 27 -25.153 -7.653 -11.907 1.00 0.00 N ATOM 214 CZ ARG A 27 -26.376 -7.116 -11.974 1.00 0.00 C ATOM 215 NH1 ARG A 27 -26.679 -6.249 -12.913 1.00 0.00 N ATOM 216 NH2 ARG A 27 -27.334 -7.592 -11.212 1.00 0.00 N ATOM 0 H ARG A 27 -21.337 -6.546 -8.823 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.107 -4.913 -11.130 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -21.946 -7.281 -11.106 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.361 -6.770 -10.207 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.006 -5.235 -12.074 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -22.578 -5.715 -12.971 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.485 -7.020 -13.792 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -23.392 -8.103 -12.953 1.00 0.00 H new ATOM 0 HE ARG A 27 -24.966 -8.360 -11.196 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -25.978 -5.978 -13.602 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -27.616 -5.847 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -27.142 -8.365 -10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -28.270 -7.188 -11.257 1.00 0.00 H new ATOM 230 N VAL A 28 -23.530 -4.144 -9.043 1.00 0.00 N ATOM 231 CA VAL A 28 -24.501 -3.109 -8.703 1.00 0.00 C ATOM 232 C VAL A 28 -23.784 -1.785 -8.455 1.00 0.00 C ATOM 233 O VAL A 28 -24.369 -0.715 -8.610 1.00 0.00 O ATOM 234 CB VAL A 28 -25.364 -3.554 -7.512 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.503 -3.772 -6.266 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.435 -2.503 -7.211 1.00 0.00 C ATOM 0 H VAL A 28 -23.460 -4.899 -8.361 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.182 -2.953 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 28 -25.844 -4.496 -7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.136 -4.086 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.760 -4.543 -6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.999 -2.842 -6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.039 -2.831 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.956 -1.554 -6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.074 -2.374 -8.085 1.00 0.00 H new ATOM 246 N PHE A 29 -22.599 -1.890 -7.857 1.00 0.00 N ATOM 247 CA PHE A 29 -21.830 -0.724 -7.441 1.00 0.00 C ATOM 248 C PHE A 29 -21.775 0.369 -8.509 1.00 0.00 C ATOM 249 O PHE A 29 -22.077 1.521 -8.207 1.00 0.00 O ATOM 250 CB PHE A 29 -20.401 -1.186 -7.131 1.00 0.00 C ATOM 251 CG PHE A 29 -19.970 -0.706 -5.770 1.00 0.00 C ATOM 252 CD1 PHE A 29 -20.611 -1.166 -4.616 1.00 0.00 C ATOM 253 CD2 PHE A 29 -19.093 0.368 -5.676 1.00 0.00 C ATOM 254 CE1 PHE A 29 -20.684 -0.336 -3.495 1.00 0.00 C ATOM 255 CE2 PHE A 29 -18.917 0.998 -4.457 1.00 0.00 C ATOM 256 CZ PHE A 29 -19.804 0.740 -3.399 1.00 0.00 C ATOM 0 H PHE A 29 -22.149 -2.781 -7.649 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.321 -0.293 -6.569 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.348 -2.274 -7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -19.718 -0.805 -7.890 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -21.046 -2.154 -4.591 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.553 0.708 -6.547 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -21.409 -0.525 -2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -18.098 1.688 -4.319 1.00 0.00 H new ATOM 0 HZ PHE A 29 -19.804 1.369 -2.521 1.00 0.00 H new ATOM 266 N PRO A 30 -21.226 0.090 -9.705 1.00 0.00 N ATOM 267 CA PRO A 30 -21.243 1.082 -10.820 1.00 0.00 C ATOM 268 C PRO A 30 -22.652 1.441 -11.276 1.00 0.00 C ATOM 269 O PRO A 30 -22.830 2.442 -11.966 1.00 0.00 O ATOM 270 CB PRO A 30 -20.496 0.365 -11.952 1.00 0.00 C ATOM 271 CG PRO A 30 -20.639 -1.092 -11.662 1.00 0.00 C ATOM 272 CD PRO A 30 -20.712 -1.222 -10.143 1.00 0.00 C ATOM 0 HA PRO A 30 -20.794 2.027 -10.514 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.922 0.616 -12.924 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.447 0.659 -11.978 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.537 -1.495 -12.130 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.793 -1.652 -12.060 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.375 -2.033 -9.842 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.734 -1.433 -9.712 1.00 0.00 H new ATOM 280 N TYR A 31 -23.553 0.462 -11.171 1.00 0.00 N ATOM 281 CA TYR A 31 -24.917 0.655 -11.651 1.00 0.00 C ATOM 282 C TYR A 31 -25.584 1.776 -10.862 1.00 0.00 C ATOM 283 O TYR A 31 -26.372 2.539 -11.411 1.00 0.00 O ATOM 284 CB TYR A 31 -25.716 -0.649 -11.525 1.00 0.00 C ATOM 285 CG TYR A 31 -27.149 -0.416 -11.951 1.00 0.00 C ATOM 286 CD1 TYR A 31 -27.467 -0.437 -13.318 1.00 0.00 C ATOM 287 CD2 TYR A 31 -28.166 -0.251 -11.009 1.00 0.00 C ATOM 288 CE1 TYR A 31 -28.765 -0.131 -13.744 1.00 0.00 C ATOM 289 CE2 TYR A 31 -29.465 0.062 -11.435 1.00 0.00 C ATOM 290 CZ TYR A 31 -29.771 0.092 -12.801 1.00 0.00 C ATOM 291 OH TYR A 31 -31.029 0.464 -13.223 1.00 0.00 O ATOM 0 H TYR A 31 -23.366 -0.455 -10.765 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.891 0.935 -12.704 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.264 -1.424 -12.144 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -25.687 -1.006 -10.496 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.708 -0.690 -14.043 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.953 -0.364 -9.956 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -28.988 -0.068 -14.799 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -30.232 0.281 -10.707 1.00 0.00 H new ATOM 0 HH TYR A 31 -31.614 0.579 -12.445 1.00 0.00 H new ATOM 301 N SER A 32 -25.427 1.695 -9.545 1.00 0.00 N ATOM 302 CA SER A 32 -25.924 2.708 -8.620 1.00 0.00 C ATOM 303 C SER A 32 -25.254 2.540 -7.262 1.00 0.00 C ATOM 304 O SER A 32 -25.430 1.517 -6.607 1.00 0.00 O ATOM 305 CB SER A 32 -27.440 2.594 -8.442 1.00 0.00 C ATOM 306 OG SER A 32 -28.103 3.321 -9.468 1.00 0.00 O ATOM 0 H SER A 32 -24.948 0.920 -9.086 1.00 0.00 H new ATOM 0 HA SER A 32 -25.690 3.688 -9.036 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.741 1.547 -8.473 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.730 2.980 -7.465 1.00 0.00 H new ATOM 0 HG SER A 32 -27.634 3.189 -10.318 1.00 0.00 H new ATOM 312 N PRO A 33 -24.627 3.605 -6.742 1.00 0.00 N ATOM 313 CA PRO A 33 -24.052 3.597 -5.365 1.00 0.00 C ATOM 314 C PRO A 33 -25.099 3.235 -4.313 1.00 0.00 C ATOM 315 O PRO A 33 -24.894 2.312 -3.525 1.00 0.00 O ATOM 316 CB PRO A 33 -23.570 5.037 -5.180 1.00 0.00 C ATOM 317 CG PRO A 33 -23.316 5.562 -6.548 1.00 0.00 C ATOM 318 CD PRO A 33 -24.296 4.844 -7.470 1.00 0.00 C ATOM 0 HA PRO A 33 -23.262 2.855 -5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.320 5.637 -4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.664 5.071 -4.574 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.467 6.641 -6.585 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.286 5.373 -6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.185 5.447 -7.656 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.848 4.630 -8.440 1.00 0.00 H new ATOM 326 N GLU A 34 -26.306 3.760 -4.512 1.00 0.00 N ATOM 327 CA GLU A 34 -27.398 3.583 -3.563 1.00 0.00 C ATOM 328 C GLU A 34 -27.877 2.133 -3.491 1.00 0.00 C ATOM 329 O GLU A 34 -28.291 1.679 -2.434 1.00 0.00 O ATOM 330 CB GLU A 34 -28.552 4.501 -3.977 1.00 0.00 C ATOM 331 CG GLU A 34 -29.724 4.389 -2.992 1.00 0.00 C ATOM 332 CD GLU A 34 -30.867 5.331 -3.376 1.00 0.00 C ATOM 333 OE1 GLU A 34 -31.008 5.612 -4.557 1.00 0.00 O ATOM 334 OE2 GLU A 34 -31.744 5.510 -2.548 1.00 0.00 O ATOM 0 H GLU A 34 -26.552 4.316 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 34 -27.037 3.842 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.204 5.533 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -28.889 4.238 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -30.088 3.362 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -29.379 4.624 -1.985 1.00 0.00 H new ATOM 341 N LEU A 35 -28.001 1.480 -4.642 1.00 0.00 N ATOM 342 CA LEU A 35 -28.409 0.075 -4.673 1.00 0.00 C ATOM 343 C LEU A 35 -27.390 -0.828 -3.987 1.00 0.00 C ATOM 344 O LEU A 35 -27.753 -1.593 -3.101 1.00 0.00 O ATOM 345 CB LEU A 35 -28.647 -0.398 -6.108 1.00 0.00 C ATOM 346 CG LEU A 35 -29.910 0.260 -6.671 1.00 0.00 C ATOM 347 CD1 LEU A 35 -30.005 -0.019 -8.175 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.150 -0.310 -5.966 1.00 0.00 C ATOM 0 H LEU A 35 -27.827 1.894 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.346 0.006 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.788 -0.147 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.751 -1.483 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.861 1.336 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.904 0.449 -8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.128 0.390 -8.677 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.051 -1.095 -8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.046 0.161 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.200 -1.386 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.085 -0.110 -4.897 1.00 0.00 H new ATOM 360 N ALA A 36 -26.116 -0.545 -4.238 1.00 0.00 N ATOM 361 CA ALA A 36 -25.025 -1.289 -3.626 1.00 0.00 C ATOM 362 C ALA A 36 -25.042 -1.113 -2.113 1.00 0.00 C ATOM 363 O ALA A 36 -24.669 -2.021 -1.382 1.00 0.00 O ATOM 364 CB ALA A 36 -23.677 -0.840 -4.190 1.00 0.00 C ATOM 0 H ALA A 36 -25.814 0.200 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.164 -2.345 -3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.877 -1.410 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.658 -1.011 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.534 0.222 -3.989 1.00 0.00 H new ATOM 370 N LYS A 37 -25.428 0.077 -1.666 1.00 0.00 N ATOM 371 CA LYS A 37 -25.483 0.382 -0.245 1.00 0.00 C ATOM 372 C LYS A 37 -26.421 -0.571 0.481 1.00 0.00 C ATOM 373 O LYS A 37 -25.968 -1.305 1.358 1.00 0.00 O ATOM 374 CB LYS A 37 -25.972 1.828 -0.086 1.00 0.00 C ATOM 375 CG LYS A 37 -26.131 2.208 1.390 1.00 0.00 C ATOM 376 CD LYS A 37 -24.801 2.126 2.133 1.00 0.00 C ATOM 377 CE LYS A 37 -24.935 2.845 3.482 1.00 0.00 C ATOM 378 NZ LYS A 37 -24.585 1.908 4.586 1.00 0.00 N ATOM 0 H LYS A 37 -25.708 0.848 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.492 0.265 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.265 2.507 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.926 1.949 -0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -26.530 3.220 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -26.855 1.544 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -24.521 1.084 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -24.010 2.584 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -24.279 3.715 3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.954 3.210 3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -24.412 2.448 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -25.371 1.244 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.728 1.377 4.332 1.00 0.00 H new ATOM 392 N ARG A 38 -27.596 -0.800 -0.089 1.00 0.00 N ATOM 393 CA ARG A 38 -28.510 -1.797 0.449 1.00 0.00 C ATOM 394 C ARG A 38 -27.922 -3.205 0.377 1.00 0.00 C ATOM 395 O ARG A 38 -27.936 -3.930 1.367 1.00 0.00 O ATOM 396 CB ARG A 38 -29.808 -1.731 -0.354 1.00 0.00 C ATOM 397 CG ARG A 38 -30.843 -2.698 0.215 1.00 0.00 C ATOM 398 CD ARG A 38 -32.113 -2.602 -0.630 1.00 0.00 C ATOM 399 NE ARG A 38 -33.176 -3.395 -0.029 1.00 0.00 N ATOM 400 CZ ARG A 38 -34.276 -3.724 -0.703 1.00 0.00 C ATOM 401 NH1 ARG A 38 -34.495 -3.196 -1.874 1.00 0.00 N ATOM 402 NH2 ARG A 38 -35.259 -4.317 -0.080 1.00 0.00 N ATOM 0 H ARG A 38 -27.937 -0.313 -0.918 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.692 -1.581 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -30.203 -0.715 -0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -29.609 -1.976 -1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.456 -3.717 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -31.060 -2.452 1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -32.427 -1.561 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -31.913 -2.955 -1.642 1.00 0.00 H new ATOM 0 HE ARG A 38 -33.075 -3.708 0.937 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -33.826 -2.535 -2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -35.336 -3.444 -2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -35.180 -4.525 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -36.105 -4.572 -0.589 1.00 0.00 H new ATOM 416 N TYR A 39 -27.309 -3.550 -0.757 1.00 0.00 N ATOM 417 CA TYR A 39 -26.710 -4.870 -0.947 1.00 0.00 C ATOM 418 C TYR A 39 -25.553 -5.145 0.008 1.00 0.00 C ATOM 419 O TYR A 39 -25.260 -6.310 0.261 1.00 0.00 O ATOM 420 CB TYR A 39 -26.288 -5.087 -2.402 1.00 0.00 C ATOM 421 CG TYR A 39 -27.518 -5.272 -3.259 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.134 -6.528 -3.288 1.00 0.00 C ATOM 423 CD2 TYR A 39 -27.842 -4.335 -4.258 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.264 -6.736 -4.091 1.00 0.00 C ATOM 425 CE2 TYR A 39 -28.969 -4.536 -5.062 1.00 0.00 C ATOM 426 CZ TYR A 39 -29.684 -5.735 -4.980 1.00 0.00 C ATOM 427 OH TYR A 39 -30.742 -5.971 -5.827 1.00 0.00 O ATOM 0 H TYR A 39 -27.215 -2.929 -1.561 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.488 -5.594 -0.705 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.710 -4.233 -2.756 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.643 -5.962 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -27.739 -7.337 -2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.222 -3.463 -4.404 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -29.810 -7.665 -4.025 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.287 -3.764 -5.747 1.00 0.00 H new ATOM 0 HH TYR A 39 -30.905 -5.176 -6.376 1.00 0.00 H new ATOM 437 N VAL A 40 -24.702 -4.149 0.230 1.00 0.00 N ATOM 438 CA VAL A 40 -23.565 -4.327 1.130 1.00 0.00 C ATOM 439 C VAL A 40 -24.054 -4.600 2.551 1.00 0.00 C ATOM 440 O VAL A 40 -23.633 -5.569 3.174 1.00 0.00 O ATOM 441 CB VAL A 40 -22.640 -3.109 1.106 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.572 -3.271 2.191 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.952 -2.987 -0.264 1.00 0.00 C ATOM 0 H VAL A 40 -24.774 -3.223 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.991 -5.186 0.783 1.00 0.00 H new ATOM 0 HB VAL A 40 -23.230 -2.211 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.908 -2.406 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.053 -3.347 3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.993 -4.175 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.297 -2.116 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.363 -3.884 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.707 -2.875 -1.042 1.00 0.00 H new ATOM 453 N GLU A 41 -25.047 -3.832 3.001 1.00 0.00 N ATOM 454 CA GLU A 41 -25.515 -3.918 4.383 1.00 0.00 C ATOM 455 C GLU A 41 -26.103 -5.301 4.630 1.00 0.00 C ATOM 456 O GLU A 41 -25.677 -5.992 5.555 1.00 0.00 O ATOM 457 CB GLU A 41 -26.614 -2.889 4.659 1.00 0.00 C ATOM 458 CG GLU A 41 -26.082 -1.447 4.617 1.00 0.00 C ATOM 459 CD GLU A 41 -27.227 -0.440 4.806 1.00 0.00 C ATOM 460 OE1 GLU A 41 -28.342 -0.858 5.055 1.00 0.00 O ATOM 461 OE2 GLU A 41 -26.979 0.756 4.760 1.00 0.00 O ATOM 0 H GLU A 41 -25.541 -3.146 2.430 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.665 -3.726 5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -27.409 -3.003 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -27.055 -3.084 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -25.335 -1.307 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -25.585 -1.265 3.664 1.00 0.00 H new ATOM 468 N LEU A 42 -26.682 -5.813 3.552 1.00 0.00 N ATOM 469 CA LEU A 42 -27.094 -7.205 3.449 1.00 0.00 C ATOM 470 C LEU A 42 -25.931 -8.177 3.587 1.00 0.00 C ATOM 471 O LEU A 42 -26.050 -9.159 4.314 1.00 0.00 O ATOM 472 CB LEU A 42 -27.764 -7.354 2.081 1.00 0.00 C ATOM 473 CG LEU A 42 -28.048 -8.814 1.718 1.00 0.00 C ATOM 474 CD1 LEU A 42 -28.989 -9.506 2.709 1.00 0.00 C ATOM 475 CD2 LEU A 42 -28.664 -8.848 0.317 1.00 0.00 C ATOM 0 H LEU A 42 -26.881 -5.266 2.715 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.773 -7.451 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.699 -6.794 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.124 -6.912 1.317 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.104 -9.358 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.151 -10.538 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.543 -9.494 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -29.943 -8.980 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -28.875 -9.880 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.591 -8.274 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -27.965 -8.414 -0.398 1.00 0.00 H new ATOM 487 N ALA A 43 -24.801 -7.894 2.962 1.00 0.00 N ATOM 488 CA ALA A 43 -23.622 -8.727 3.162 1.00 0.00 C ATOM 489 C ALA A 43 -23.130 -8.672 4.607 1.00 0.00 C ATOM 490 O ALA A 43 -22.604 -9.671 5.103 1.00 0.00 O ATOM 491 CB ALA A 43 -22.512 -8.289 2.200 1.00 0.00 C ATOM 0 H ALA A 43 -24.672 -7.110 2.323 1.00 0.00 H new ATOM 0 HA ALA A 43 -23.897 -9.761 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.632 -8.914 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -22.859 -8.394 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.255 -7.247 2.391 1.00 0.00 H new ATOM 497 N LEU A 44 -23.184 -7.494 5.238 1.00 0.00 N ATOM 498 CA LEU A 44 -22.772 -7.364 6.638 1.00 0.00 C ATOM 499 C LEU A 44 -23.643 -8.181 7.590 1.00 0.00 C ATOM 500 O LEU A 44 -23.115 -8.823 8.499 1.00 0.00 O ATOM 501 CB LEU A 44 -22.769 -5.891 7.083 1.00 0.00 C ATOM 502 CG LEU A 44 -21.471 -5.169 6.675 1.00 0.00 C ATOM 503 CD1 LEU A 44 -20.253 -5.885 7.269 1.00 0.00 C ATOM 504 CD2 LEU A 44 -21.343 -5.102 5.150 1.00 0.00 C ATOM 0 H LEU A 44 -23.505 -6.627 4.807 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.759 -7.762 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -23.624 -5.377 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -22.888 -5.839 8.165 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.512 -4.152 7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.343 -5.363 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.329 -5.891 8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -20.219 -6.911 6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -20.419 -4.588 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -21.326 -6.112 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -22.192 -4.558 4.737 1.00 0.00 H new ATOM 516 N LEU A 45 -24.960 -8.180 7.378 1.00 0.00 N ATOM 517 CA LEU A 45 -25.851 -9.002 8.195 1.00 0.00 C ATOM 518 C LEU A 45 -25.536 -10.482 8.001 1.00 0.00 C ATOM 519 O LEU A 45 -25.783 -11.283 8.898 1.00 0.00 O ATOM 520 CB LEU A 45 -27.336 -8.765 7.882 1.00 0.00 C ATOM 521 CG LEU A 45 -27.866 -7.539 8.642 1.00 0.00 C ATOM 522 CD1 LEU A 45 -27.232 -6.243 8.125 1.00 0.00 C ATOM 523 CD2 LEU A 45 -29.387 -7.472 8.497 1.00 0.00 C ATOM 0 H LEU A 45 -25.427 -7.628 6.659 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.676 -8.707 9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -27.467 -8.618 6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.915 -9.647 8.156 1.00 0.00 H new ATOM 0 HG LEU A 45 -27.598 -7.643 9.693 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.629 -5.396 8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -26.151 -6.290 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.465 -6.121 7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -29.766 -6.603 9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -29.649 -7.388 7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -29.832 -8.377 8.910 1.00 0.00 H new ATOM 535 N VAL A 46 -25.270 -10.869 6.757 1.00 0.00 N ATOM 536 CA VAL A 46 -24.917 -12.249 6.465 1.00 0.00 C ATOM 537 C VAL A 46 -23.620 -12.617 7.181 1.00 0.00 C ATOM 538 O VAL A 46 -23.515 -13.694 7.754 1.00 0.00 O ATOM 539 CB VAL A 46 -24.754 -12.416 4.947 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.187 -13.802 4.619 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.119 -12.254 4.271 1.00 0.00 C ATOM 0 H VAL A 46 -25.292 -10.252 5.945 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.707 -12.913 6.818 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.063 -11.657 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.078 -13.904 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.213 -13.919 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -24.866 -14.570 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.007 -12.372 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -26.805 -13.012 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.517 -11.263 4.488 1.00 0.00 H new ATOM 551 N GLN A 47 -22.627 -11.735 7.112 1.00 0.00 N ATOM 552 CA GLN A 47 -21.315 -12.023 7.676 1.00 0.00 C ATOM 553 C GLN A 47 -21.376 -12.191 9.195 1.00 0.00 C ATOM 554 O GLN A 47 -20.604 -12.963 9.751 1.00 0.00 O ATOM 555 CB GLN A 47 -20.371 -10.862 7.338 1.00 0.00 C ATOM 556 CG GLN A 47 -18.977 -11.112 7.920 1.00 0.00 C ATOM 557 CD GLN A 47 -18.051 -9.950 7.577 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.935 -10.190 6.950 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -18.294 -8.820 7.981 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.707 -10.818 6.672 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.955 -12.959 7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.303 -10.745 6.256 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.775 -9.931 7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -19.041 -11.229 9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.570 -12.042 7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -19.168 -8.631 8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.623 -8.068 7.826 1.00 0.00 H new ATOM 568 N GLN A 48 -22.096 -11.288 9.869 1.00 0.00 N ATOM 569 CA GLN A 48 -22.183 -11.346 11.326 1.00 0.00 C ATOM 570 C GLN A 48 -22.929 -12.597 11.786 1.00 0.00 C ATOM 571 O GLN A 48 -22.636 -13.141 12.843 1.00 0.00 O ATOM 572 CB GLN A 48 -22.852 -10.073 11.859 1.00 0.00 C ATOM 573 CG GLN A 48 -24.332 -10.017 11.466 1.00 0.00 C ATOM 574 CD GLN A 48 -24.966 -8.706 11.920 1.00 0.00 C ATOM 575 OE1 GLN A 48 -24.250 -7.749 12.225 1.00 0.00 O ATOM 576 NE2 GLN A 48 -26.235 -8.686 12.217 1.00 0.00 N ATOM 0 H GLN A 48 -22.616 -10.524 9.437 1.00 0.00 H new ATOM 0 HA GLN A 48 -21.174 -11.405 11.733 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.760 -10.038 12.945 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -22.336 -9.197 11.467 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -24.430 -10.118 10.385 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.863 -10.857 11.914 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.830 -9.476 11.966 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -26.633 -7.881 12.700 1.00 0.00 H new ATOM 585 N LYS A 49 -24.033 -12.893 11.104 1.00 0.00 N ATOM 586 CA LYS A 49 -24.831 -14.083 11.386 1.00 0.00 C ATOM 587 C LYS A 49 -24.060 -15.374 11.104 1.00 0.00 C ATOM 588 O LYS A 49 -24.377 -16.411 11.673 1.00 0.00 O ATOM 589 CB LYS A 49 -26.100 -14.035 10.533 1.00 0.00 C ATOM 590 CG LYS A 49 -26.995 -12.888 11.016 1.00 0.00 C ATOM 591 CD LYS A 49 -28.252 -12.805 10.144 1.00 0.00 C ATOM 592 CE LYS A 49 -29.142 -11.657 10.631 1.00 0.00 C ATOM 593 NZ LYS A 49 -30.350 -11.571 9.767 1.00 0.00 N ATOM 0 H LYS A 49 -24.398 -12.318 10.345 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.082 -14.086 12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.841 -13.892 9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.635 -14.982 10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -27.274 -13.047 12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.449 -11.946 10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.974 -12.646 9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -28.800 -13.746 10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -29.434 -11.822 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.591 -10.717 10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -30.957 -10.792 10.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -30.062 -11.395 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -30.878 -12.466 9.818 1.00 0.00 H new ATOM 607 N ALA A 50 -23.342 -15.379 9.979 1.00 0.00 N ATOM 608 CA ALA A 50 -22.437 -16.478 9.657 1.00 0.00 C ATOM 609 C ALA A 50 -21.147 -16.395 10.465 1.00 0.00 C ATOM 610 O ALA A 50 -20.465 -17.395 10.642 1.00 0.00 O ATOM 611 CB ALA A 50 -22.117 -16.445 8.160 1.00 0.00 C ATOM 0 H ALA A 50 -23.371 -14.637 9.280 1.00 0.00 H new ATOM 0 HA ALA A 50 -22.929 -17.416 9.914 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.441 -17.264 7.914 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -23.039 -16.551 7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.643 -15.496 7.910 1.00 0.00 H new ATOM 617 N LYS A 51 -20.906 -15.239 11.074 1.00 0.00 N ATOM 618 CA LYS A 51 -19.754 -15.043 11.951 1.00 0.00 C ATOM 619 C LYS A 51 -18.442 -15.465 11.291 1.00 0.00 C ATOM 620 O LYS A 51 -17.555 -15.974 11.967 1.00 0.00 O ATOM 621 CB LYS A 51 -19.961 -15.772 13.283 1.00 0.00 C ATOM 622 CG LYS A 51 -19.468 -14.869 14.414 1.00 0.00 C ATOM 623 CD LYS A 51 -19.793 -15.491 15.773 1.00 0.00 C ATOM 624 CE LYS A 51 -19.210 -14.604 16.878 1.00 0.00 C ATOM 625 NZ LYS A 51 -20.067 -13.398 17.043 1.00 0.00 N ATOM 0 H LYS A 51 -21.499 -14.415 10.976 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.676 -13.974 12.148 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.015 -16.013 13.423 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.415 -16.716 13.287 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.392 -14.717 14.324 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.936 -13.888 14.335 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.872 -15.586 15.896 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.376 -16.496 15.837 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.157 -15.158 17.815 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.192 -14.309 16.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -19.766 -12.871 17.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.975 -12.789 16.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.059 -13.690 17.152 1.00 0.00 H new ATOM 639 N VAL A 52 -18.198 -14.925 10.102 1.00 0.00 N ATOM 640 CA VAL A 52 -17.003 -15.286 9.337 1.00 0.00 C ATOM 641 C VAL A 52 -16.147 -14.047 9.106 1.00 0.00 C ATOM 642 O VAL A 52 -16.629 -13.041 8.596 1.00 0.00 O ATOM 643 CB VAL A 52 -17.359 -15.919 7.986 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.994 -17.292 8.207 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.321 -15.023 7.204 1.00 0.00 C ATOM 0 H VAL A 52 -18.804 -14.242 9.647 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.449 -16.023 9.918 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.443 -16.032 7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -18.245 -17.736 7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.291 -17.938 8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.900 -17.182 8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -18.560 -15.492 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.237 -14.883 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.853 -14.055 7.026 1.00 0.00 H new ATOM 655 N LYS A 53 -14.857 -14.169 9.391 1.00 0.00 N ATOM 656 CA LYS A 53 -13.940 -13.047 9.243 1.00 0.00 C ATOM 657 C LYS A 53 -13.183 -13.170 7.926 1.00 0.00 C ATOM 658 O LYS A 53 -12.952 -14.275 7.435 1.00 0.00 O ATOM 659 CB LYS A 53 -12.930 -13.020 10.393 1.00 0.00 C ATOM 660 CG LYS A 53 -13.635 -12.706 11.716 1.00 0.00 C ATOM 661 CD LYS A 53 -12.597 -12.697 12.841 1.00 0.00 C ATOM 662 CE LYS A 53 -13.262 -12.378 14.182 1.00 0.00 C ATOM 663 NZ LYS A 53 -12.227 -12.393 15.250 1.00 0.00 N ATOM 0 H LYS A 53 -14.424 -15.030 9.725 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.523 -12.126 9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.423 -13.983 10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.164 -12.270 10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.135 -11.739 11.657 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.405 -13.451 11.919 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.103 -13.667 12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.826 -11.958 12.626 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.746 -11.402 14.140 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.039 -13.110 14.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.670 -12.177 16.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.785 -13.334 15.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.501 -11.679 15.040 1.00 0.00 H new ATOM 677 N ILE A 54 -12.943 -12.021 7.304 1.00 0.00 N ATOM 678 CA ILE A 54 -12.257 -11.962 6.020 1.00 0.00 C ATOM 679 C ILE A 54 -11.225 -10.838 6.062 1.00 0.00 C ATOM 680 O ILE A 54 -11.586 -9.664 6.143 1.00 0.00 O ATOM 681 CB ILE A 54 -13.253 -11.716 4.880 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.591 -11.190 5.422 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.475 -13.022 4.115 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.608 -11.029 4.290 1.00 0.00 C ATOM 0 H ILE A 54 -13.217 -11.110 7.673 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.762 -12.916 5.836 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.841 -10.961 4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.981 -11.878 6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.437 -10.232 5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.182 -12.852 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.527 -13.368 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.874 -13.777 4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.548 -10.656 4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.224 -10.322 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -15.777 -11.994 3.813 1.00 0.00 H new ATOM 696 N PRO A 55 -9.929 -11.181 6.129 1.00 0.00 N ATOM 697 CA PRO A 55 -8.860 -10.167 6.354 1.00 0.00 C ATOM 698 C PRO A 55 -8.892 -9.065 5.299 1.00 0.00 C ATOM 699 O PRO A 55 -8.371 -7.977 5.540 1.00 0.00 O ATOM 700 CB PRO A 55 -7.563 -10.972 6.282 1.00 0.00 C ATOM 701 CG PRO A 55 -7.941 -12.362 6.656 1.00 0.00 C ATOM 702 CD PRO A 55 -9.396 -12.555 6.223 1.00 0.00 C ATOM 0 HA PRO A 55 -8.978 -9.648 7.305 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.134 -10.937 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.813 -10.571 6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.292 -13.085 6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.833 -12.517 7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.462 -13.074 5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.952 -13.150 6.948 1.00 0.00 H new ATOM 710 N ARG A 56 -9.231 -9.450 4.067 1.00 0.00 N ATOM 711 CA ARG A 56 -9.221 -8.495 2.964 1.00 0.00 C ATOM 712 C ARG A 56 -10.589 -8.322 2.297 1.00 0.00 C ATOM 713 O ARG A 56 -10.817 -7.270 1.701 1.00 0.00 O ATOM 714 CB ARG A 56 -8.124 -8.872 1.960 1.00 0.00 C ATOM 715 CG ARG A 56 -6.763 -8.606 2.612 1.00 0.00 C ATOM 716 CD ARG A 56 -5.622 -8.998 1.669 1.00 0.00 C ATOM 717 NE ARG A 56 -4.341 -8.710 2.313 1.00 0.00 N ATOM 718 CZ ARG A 56 -3.601 -9.649 2.911 1.00 0.00 C ATOM 719 NH1 ARG A 56 -4.131 -10.809 3.205 1.00 0.00 N ATOM 720 NH2 ARG A 56 -2.483 -9.299 3.503 1.00 0.00 N ATOM 0 H ARG A 56 -9.510 -10.398 3.813 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.991 -7.514 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.211 -9.921 1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.228 -8.287 1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.679 -7.551 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.683 -9.171 3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.687 -10.058 1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.703 -8.446 0.732 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.997 -7.750 2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.108 -10.996 2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.567 -11.526 3.661 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.190 -8.322 3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.907 -10.004 3.964 1.00 0.00 H new ATOM 734 N LYS A 57 -11.407 -9.377 2.184 1.00 0.00 N ATOM 735 CA LYS A 57 -12.486 -9.345 1.195 1.00 0.00 C ATOM 736 C LYS A 57 -13.529 -8.258 1.432 1.00 0.00 C ATOM 737 O LYS A 57 -13.974 -7.653 0.471 1.00 0.00 O ATOM 738 CB LYS A 57 -13.257 -10.668 1.122 1.00 0.00 C ATOM 739 CG LYS A 57 -12.435 -11.793 0.484 1.00 0.00 C ATOM 740 CD LYS A 57 -13.304 -13.054 0.457 1.00 0.00 C ATOM 741 CE LYS A 57 -12.589 -14.191 -0.280 1.00 0.00 C ATOM 742 NZ LYS A 57 -11.562 -14.798 0.607 1.00 0.00 N ATOM 0 H LYS A 57 -11.347 -10.229 2.741 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.953 -9.141 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.556 -10.966 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.172 -10.520 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.131 -11.518 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.523 -11.970 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.535 -13.364 1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.253 -12.837 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.311 -14.948 -0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.120 -13.810 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.080 -15.569 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.867 -14.074 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.020 -15.176 1.461 1.00 0.00 H new ATOM 756 N TRP A 58 -14.008 -8.074 2.662 1.00 0.00 N ATOM 757 CA TRP A 58 -14.964 -6.999 2.926 1.00 0.00 C ATOM 758 C TRP A 58 -14.376 -5.905 3.806 1.00 0.00 C ATOM 759 O TRP A 58 -14.469 -4.734 3.448 1.00 0.00 O ATOM 760 CB TRP A 58 -16.244 -7.551 3.565 1.00 0.00 C ATOM 761 CG TRP A 58 -17.312 -7.675 2.523 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.716 -8.835 1.958 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.876 -6.612 1.703 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.677 -8.552 1.008 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.737 -7.202 0.740 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.540 -5.258 1.535 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.372 -6.434 -0.241 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.203 -4.482 0.577 1.00 0.00 C ATOM 769 CH2 TRP A 58 -19.069 -5.077 -0.346 1.00 0.00 C ATOM 0 H TRP A 58 -13.758 -8.640 3.473 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.207 -6.553 1.961 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -16.047 -8.524 4.016 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.577 -6.890 4.365 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.348 -9.819 2.208 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.268 -9.253 0.561 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.768 -4.815 2.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.089 -6.887 -0.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -18.044 -3.414 0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.503 -4.486 -1.139 1.00 0.00 H new ATOM 780 N LYS A 59 -13.468 -6.306 4.697 1.00 0.00 N ATOM 781 CA LYS A 59 -12.866 -5.379 5.645 1.00 0.00 C ATOM 782 C LYS A 59 -12.050 -4.305 4.934 1.00 0.00 C ATOM 783 O LYS A 59 -11.886 -3.218 5.461 1.00 0.00 O ATOM 784 CB LYS A 59 -12.032 -6.139 6.677 1.00 0.00 C ATOM 785 CG LYS A 59 -12.965 -6.951 7.587 1.00 0.00 C ATOM 786 CD LYS A 59 -12.139 -7.726 8.623 1.00 0.00 C ATOM 787 CE LYS A 59 -13.070 -8.524 9.541 1.00 0.00 C ATOM 788 NZ LYS A 59 -12.253 -9.278 10.530 1.00 0.00 N ATOM 0 H LYS A 59 -13.136 -7.267 4.779 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.667 -4.864 6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.328 -6.802 6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.443 -5.440 7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.665 -6.285 8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.558 -7.644 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.446 -8.400 8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.538 -7.034 9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.757 -7.852 10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.678 -9.212 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.881 -9.822 11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.615 -9.929 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.692 -8.611 11.097 1.00 0.00 H new ATOM 802 N ARG A 60 -11.301 -4.726 3.919 1.00 0.00 N ATOM 803 CA ARG A 60 -10.352 -3.846 3.237 1.00 0.00 C ATOM 804 C ARG A 60 -10.963 -3.227 1.981 1.00 0.00 C ATOM 805 O ARG A 60 -10.294 -2.484 1.277 1.00 0.00 O ATOM 806 CB ARG A 60 -9.104 -4.658 2.875 1.00 0.00 C ATOM 807 CG ARG A 60 -8.418 -5.162 4.148 1.00 0.00 C ATOM 808 CD ARG A 60 -7.814 -3.979 4.910 1.00 0.00 C ATOM 809 NE ARG A 60 -6.659 -3.491 4.170 1.00 0.00 N ATOM 810 CZ ARG A 60 -5.929 -2.451 4.572 1.00 0.00 C ATOM 811 NH1 ARG A 60 -6.189 -1.852 5.705 1.00 0.00 N ATOM 812 NH2 ARG A 60 -4.901 -2.071 3.861 1.00 0.00 N ATOM 0 H ARG A 60 -11.332 -5.676 3.548 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.088 -3.026 3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.380 -5.502 2.243 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.413 -4.041 2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.138 -5.684 4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.638 -5.879 3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.553 -3.186 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.518 -4.286 5.913 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.397 -3.966 3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.957 -2.180 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.624 -1.057 6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.661 -2.569 3.004 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.338 -1.276 4.163 1.00 0.00 H new ATOM 826 N ARG A 61 -12.211 -3.580 1.680 1.00 0.00 N ATOM 827 CA ARG A 61 -12.852 -3.164 0.434 1.00 0.00 C ATOM 828 C ARG A 61 -14.090 -2.300 0.666 1.00 0.00 C ATOM 829 O ARG A 61 -14.931 -2.223 -0.222 1.00 0.00 O ATOM 830 CB ARG A 61 -13.175 -4.370 -0.456 1.00 0.00 C ATOM 831 CG ARG A 61 -11.863 -4.950 -0.995 1.00 0.00 C ATOM 832 CD ARG A 61 -12.150 -6.172 -1.870 1.00 0.00 C ATOM 833 NE ARG A 61 -10.902 -6.711 -2.388 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.404 -6.315 -3.563 1.00 0.00 C ATOM 835 NH1 ARG A 61 -10.922 -5.286 -4.186 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.251 -6.779 -3.963 1.00 0.00 N ATOM 0 H ARG A 61 -12.800 -4.154 2.283 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.130 -2.538 -0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.716 -5.126 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.821 -4.069 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.333 -4.194 -1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.213 -5.231 -0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.672 -6.932 -1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.807 -5.894 -2.694 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.395 -7.407 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.709 -4.784 -3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.539 -4.987 -5.083 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.737 -7.439 -3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.864 -6.481 -4.859 1.00 0.00 H new ATOM 850 N TYR A 62 -14.242 -1.695 1.847 1.00 0.00 N ATOM 851 CA TYR A 62 -15.401 -0.840 2.092 1.00 0.00 C ATOM 852 C TYR A 62 -15.101 0.414 2.916 1.00 0.00 C ATOM 853 O TYR A 62 -13.951 0.688 3.245 1.00 0.00 O ATOM 854 CB TYR A 62 -16.563 -1.610 2.733 1.00 0.00 C ATOM 855 CG TYR A 62 -16.207 -2.352 4.006 1.00 0.00 C ATOM 856 CD1 TYR A 62 -15.104 -1.983 4.801 1.00 0.00 C ATOM 857 CD2 TYR A 62 -17.015 -3.426 4.397 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.924 -2.583 6.052 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.882 -3.962 5.679 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.809 -3.579 6.487 1.00 0.00 C ATOM 861 OH TYR A 62 -15.484 -4.342 7.590 1.00 0.00 O ATOM 0 H TYR A 62 -13.593 -1.779 2.630 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.694 -0.503 1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.369 -0.909 2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.950 -2.326 2.008 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.402 -1.242 4.447 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.739 -3.838 3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -14.102 -2.278 6.683 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.608 -4.672 6.046 1.00 0.00 H new ATOM 0 HH TYR A 62 -16.201 -4.988 7.764 1.00 0.00 H new ATOM 871 N CYS A 63 -16.042 1.345 2.749 1.00 0.00 N ATOM 872 CA CYS A 63 -16.071 2.625 3.458 1.00 0.00 C ATOM 873 C CYS A 63 -16.191 2.425 4.963 1.00 0.00 C ATOM 874 O CYS A 63 -17.023 1.639 5.412 1.00 0.00 O ATOM 875 CB CYS A 63 -17.310 3.383 2.985 1.00 0.00 C ATOM 876 SG CYS A 63 -17.116 5.185 2.941 1.00 0.00 S ATOM 0 H CYS A 63 -16.822 1.227 2.103 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.147 3.166 3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -17.575 3.034 1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.144 3.136 3.641 1.00 0.00 H new ATOM 0 HG CYS A 63 -18.062 5.706 2.218 1.00 0.00 H new ATOM 881 N LYS A 64 -15.633 3.390 5.690 1.00 0.00 N ATOM 882 CA LYS A 64 -15.673 3.371 7.144 1.00 0.00 C ATOM 883 C LYS A 64 -17.111 3.480 7.653 1.00 0.00 C ATOM 884 O LYS A 64 -17.428 2.889 8.682 1.00 0.00 O ATOM 885 CB LYS A 64 -14.866 4.561 7.676 1.00 0.00 C ATOM 886 CG LYS A 64 -13.377 4.392 7.364 1.00 0.00 C ATOM 887 CD LYS A 64 -12.626 5.619 7.883 1.00 0.00 C ATOM 888 CE LYS A 64 -11.128 5.504 7.590 1.00 0.00 C ATOM 889 NZ LYS A 64 -10.445 6.726 8.092 1.00 0.00 N ATOM 0 H LYS A 64 -15.148 4.194 5.292 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.250 2.429 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.233 5.484 7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.009 4.650 8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.993 3.487 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.226 4.282 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.024 6.519 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.784 5.721 8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.716 4.617 8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.961 5.392 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.426 6.658 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.834 7.563 7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.597 6.812 9.117 1.00 0.00 H new ATOM 903 N LYS A 65 -17.932 4.325 7.022 1.00 0.00 N ATOM 904 CA LYS A 65 -19.323 4.467 7.446 1.00 0.00 C ATOM 905 C LYS A 65 -20.302 3.593 6.655 1.00 0.00 C ATOM 906 O LYS A 65 -21.014 2.809 7.273 1.00 0.00 O ATOM 907 CB LYS A 65 -19.767 5.933 7.432 1.00 0.00 C ATOM 908 CG LYS A 65 -21.190 6.035 7.994 1.00 0.00 C ATOM 909 CD LYS A 65 -21.640 7.498 8.060 1.00 0.00 C ATOM 910 CE LYS A 65 -23.058 7.574 8.639 1.00 0.00 C ATOM 911 NZ LYS A 65 -23.489 8.997 8.726 1.00 0.00 N ATOM 0 H LYS A 65 -17.662 4.910 6.231 1.00 0.00 H new ATOM 0 HA LYS A 65 -19.352 4.103 8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.084 6.538 8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -19.736 6.325 6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -21.876 5.466 7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.226 5.592 8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -20.952 8.073 8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -21.619 7.941 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.749 7.013 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.083 7.115 9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -24.451 9.045 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.836 9.520 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -23.482 9.421 7.776 1.00 0.00 H new ATOM 925 N CYS A 66 -20.356 3.676 5.327 1.00 0.00 N ATOM 926 CA CYS A 66 -21.482 3.071 4.620 1.00 0.00 C ATOM 927 C CYS A 66 -21.347 1.538 4.680 1.00 0.00 C ATOM 928 O CYS A 66 -22.288 0.845 4.315 1.00 0.00 O ATOM 929 CB CYS A 66 -21.658 3.474 3.151 1.00 0.00 C ATOM 930 SG CYS A 66 -20.131 3.377 2.200 1.00 0.00 S ATOM 0 H CYS A 66 -19.663 4.137 4.738 1.00 0.00 H new ATOM 0 HA CYS A 66 -22.365 3.449 5.136 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -22.406 2.829 2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -22.043 4.492 3.104 1.00 0.00 H new ATOM 0 HG CYS A 66 -19.940 4.498 1.570 1.00 0.00 H new ATOM 935 N HIS A 67 -20.099 1.093 4.785 1.00 0.00 N ATOM 936 CA HIS A 67 -19.736 -0.282 4.491 1.00 0.00 C ATOM 937 C HIS A 67 -19.873 -0.607 3.001 1.00 0.00 C ATOM 938 O HIS A 67 -19.405 -1.651 2.562 1.00 0.00 O ATOM 939 CB HIS A 67 -20.596 -1.247 5.321 1.00 0.00 C ATOM 940 CG HIS A 67 -20.297 -1.022 6.781 1.00 0.00 C ATOM 941 ND1 HIS A 67 -19.110 -1.457 7.348 1.00 0.00 N ATOM 942 CD2 HIS A 67 -20.860 -0.171 7.709 1.00 0.00 C ATOM 943 CE1 HIS A 67 -19.041 -0.931 8.580 1.00 0.00 C ATOM 944 NE2 HIS A 67 -19.998 -0.026 8.790 1.00 0.00 N ATOM 0 H HIS A 67 -19.315 1.677 5.076 1.00 0.00 H new ATOM 0 HA HIS A 67 -18.687 -0.406 4.760 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -21.654 -1.078 5.121 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -20.380 -2.279 5.045 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -18.417 -2.064 6.910 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -21.823 0.309 7.611 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.299 -1.207 9.314 1.00 0.00 H new ATOM 953 N ALA A 68 -20.131 0.437 2.214 1.00 0.00 N ATOM 954 CA ALA A 68 -20.200 0.299 0.762 1.00 0.00 C ATOM 955 C ALA A 68 -18.828 -0.008 0.172 1.00 0.00 C ATOM 956 O ALA A 68 -17.818 0.479 0.679 1.00 0.00 O ATOM 957 CB ALA A 68 -20.773 1.553 0.100 1.00 0.00 C ATOM 0 H ALA A 68 -20.295 1.384 2.557 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.870 -0.536 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.808 1.411 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.780 1.734 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.140 2.409 0.333 1.00 0.00 H new ATOM 963 N PHE A 69 -18.816 -0.767 -0.919 1.00 0.00 N ATOM 964 CA PHE A 69 -17.592 -1.321 -1.483 1.00 0.00 C ATOM 965 C PHE A 69 -16.733 -0.164 -1.976 1.00 0.00 C ATOM 966 O PHE A 69 -17.305 0.868 -2.311 1.00 0.00 O ATOM 967 CB PHE A 69 -17.962 -2.226 -2.665 1.00 0.00 C ATOM 968 CG PHE A 69 -16.721 -2.826 -3.292 1.00 0.00 C ATOM 969 CD1 PHE A 69 -16.120 -3.894 -2.614 1.00 0.00 C ATOM 970 CD2 PHE A 69 -16.571 -2.754 -4.687 1.00 0.00 C ATOM 971 CE1 PHE A 69 -15.262 -4.767 -3.286 1.00 0.00 C ATOM 972 CE2 PHE A 69 -15.584 -3.511 -5.325 1.00 0.00 C ATOM 973 CZ PHE A 69 -14.923 -4.514 -4.615 1.00 0.00 C ATOM 0 H PHE A 69 -19.658 -1.016 -1.438 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.047 -1.900 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.625 -3.022 -2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -18.510 -1.651 -3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -16.322 -4.043 -1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -17.219 -2.113 -5.267 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.863 -5.633 -2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -15.335 -3.321 -6.359 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.149 -5.094 -5.095 1.00 0.00 H new ATOM 983 N LEU A 70 -15.444 -0.137 -1.647 1.00 0.00 N ATOM 984 CA LEU A 70 -14.702 1.097 -1.869 1.00 0.00 C ATOM 985 C LEU A 70 -14.019 0.980 -3.226 1.00 0.00 C ATOM 986 O LEU A 70 -12.948 0.391 -3.354 1.00 0.00 O ATOM 987 CB LEU A 70 -13.656 1.277 -0.757 1.00 0.00 C ATOM 988 CG LEU A 70 -13.196 2.741 -0.615 1.00 0.00 C ATOM 989 CD1 LEU A 70 -13.090 3.472 -1.957 1.00 0.00 C ATOM 990 CD2 LEU A 70 -14.178 3.483 0.295 1.00 0.00 C ATOM 0 H LEU A 70 -14.915 -0.912 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.366 1.961 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.074 0.937 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.792 0.646 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.194 2.727 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.762 4.498 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.368 2.960 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.064 3.479 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.862 4.521 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.175 3.451 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.197 3.006 1.275 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.573 1.710 -4.188 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.989 1.852 -5.517 1.00 0.00 C ATOM 1004 C VAL A 71 -14.060 3.321 -5.920 1.00 0.00 C ATOM 1005 O VAL A 71 -15.131 3.925 -5.836 1.00 0.00 O ATOM 1006 CB VAL A 71 -14.757 0.993 -6.530 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -13.902 0.779 -7.783 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -15.107 -0.365 -5.915 1.00 0.00 C ATOM 0 H VAL A 71 -15.446 2.223 -4.067 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.952 1.517 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.677 1.510 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.452 0.168 -8.499 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.668 1.744 -8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.976 0.272 -7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -15.652 -0.965 -6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.191 -0.883 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -15.728 -0.215 -5.032 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.948 3.939 -6.318 1.00 0.00 N ATOM 1019 CA PRO A 72 -13.003 5.304 -6.902 1.00 0.00 C ATOM 1020 C PRO A 72 -13.812 5.324 -8.193 1.00 0.00 C ATOM 1021 O PRO A 72 -13.535 4.548 -9.104 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.537 5.671 -7.144 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.737 4.724 -6.317 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.566 3.445 -6.212 1.00 0.00 C ATOM 0 HA PRO A 72 -13.500 6.018 -6.245 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.281 5.580 -8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.340 6.704 -6.856 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.770 4.524 -6.779 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.538 5.141 -5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.326 2.742 -7.009 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.393 2.928 -5.268 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.542 6.416 -8.376 1.00 0.00 N ATOM 1033 CA GLY A 73 -15.298 6.668 -9.596 1.00 0.00 C ATOM 1034 C GLY A 73 -16.727 6.131 -9.500 1.00 0.00 C ATOM 1035 O GLY A 73 -17.472 6.247 -10.473 1.00 0.00 O ATOM 0 H GLY A 73 -14.627 7.156 -7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.325 7.740 -9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.791 6.202 -10.441 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.998 5.295 -8.487 1.00 0.00 N ATOM 1040 CA ILE A 74 -18.100 4.338 -8.616 1.00 0.00 C ATOM 1041 C ILE A 74 -19.219 4.696 -7.638 1.00 0.00 C ATOM 1042 O ILE A 74 -20.157 5.377 -8.024 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.619 2.911 -8.316 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -16.309 2.617 -9.061 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -18.678 1.916 -8.795 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.436 2.778 -10.578 1.00 0.00 C ATOM 0 H ILE A 74 -16.490 5.262 -7.603 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.470 4.385 -9.640 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.455 2.816 -7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.530 3.286 -8.694 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -15.989 1.600 -8.834 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.344 0.900 -8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.616 2.104 -8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.829 2.034 -9.868 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.478 2.557 -11.049 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.193 2.090 -10.955 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.728 3.802 -10.812 1.00 0.00 H new ATOM 1058 N ASN A 75 -19.009 4.425 -6.345 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.848 4.989 -5.289 1.00 0.00 C ATOM 1060 C ASN A 75 -19.089 6.072 -4.526 1.00 0.00 C ATOM 1061 O ASN A 75 -19.573 6.615 -3.527 1.00 0.00 O ATOM 1062 CB ASN A 75 -20.234 3.868 -4.318 1.00 0.00 C ATOM 1063 CG ASN A 75 -19.187 3.674 -3.216 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.915 3.719 -3.513 1.00 0.00 O flip ATOM 1065 ND2 ASN A 75 -19.537 3.624 -2.039 1.00 0.00 N flip ATOM 0 H ASN A 75 -18.263 3.817 -6.007 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.738 5.432 -5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -21.198 4.098 -3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.355 2.936 -4.870 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -20.529 3.589 -1.803 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -18.836 3.618 -1.298 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.882 6.341 -5.006 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.939 7.178 -4.291 1.00 0.00 C ATOM 1074 C ALA A 76 -15.922 7.695 -5.291 1.00 0.00 C ATOM 1075 O ALA A 76 -15.700 7.035 -6.297 1.00 0.00 O ATOM 1076 CB ALA A 76 -16.242 6.406 -3.172 1.00 0.00 C ATOM 0 H ALA A 76 -17.534 5.986 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.470 8.006 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.542 7.064 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.986 6.042 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.700 5.561 -3.596 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.342 8.861 -5.027 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.437 9.465 -5.991 1.00 0.00 C ATOM 1084 C ARG A 77 -13.148 9.875 -5.295 1.00 0.00 C ATOM 1085 O ARG A 77 -13.184 10.456 -4.216 1.00 0.00 O ATOM 1086 CB ARG A 77 -15.102 10.660 -6.673 1.00 0.00 C ATOM 1087 CG ARG A 77 -14.171 11.224 -7.751 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.838 12.422 -8.430 1.00 0.00 C ATOM 1089 NE ARG A 77 -16.004 11.997 -9.192 1.00 0.00 N ATOM 1090 CZ ARG A 77 -16.760 12.869 -9.856 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -16.469 14.140 -9.834 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -17.883 12.471 -10.395 1.00 0.00 N ATOM 0 H ARG A 77 -15.480 9.396 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.196 8.736 -6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.049 10.356 -7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.330 11.431 -5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.224 11.527 -7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.945 10.455 -8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -15.135 13.154 -7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -14.125 12.915 -9.091 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.248 11.007 -9.218 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.660 14.469 -9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -17.050 14.805 -10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.175 11.498 -10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -18.467 13.134 -10.905 1.00 0.00 H new ATOM 1106 N VAL A 78 -12.040 9.689 -5.994 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.736 10.015 -5.440 1.00 0.00 C ATOM 1108 C VAL A 78 -10.039 10.985 -6.383 1.00 0.00 C ATOM 1109 O VAL A 78 -10.266 10.944 -7.589 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.897 8.746 -5.250 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.416 8.208 -6.605 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.672 9.063 -4.384 1.00 0.00 C ATOM 0 H VAL A 78 -12.017 9.315 -6.943 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.857 10.478 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.518 7.994 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.822 7.307 -6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.278 7.971 -7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.806 8.963 -7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.077 8.159 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.068 9.826 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.999 9.429 -3.411 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.498 12.043 -5.796 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.636 12.946 -6.541 1.00 0.00 C ATOM 1124 C ARG A 79 -7.219 12.769 -6.023 1.00 0.00 C ATOM 1125 O ARG A 79 -7.010 12.653 -4.817 1.00 0.00 O ATOM 1126 CB ARG A 79 -9.083 14.398 -6.352 1.00 0.00 C ATOM 1127 CG ARG A 79 -8.220 15.319 -7.220 1.00 0.00 C ATOM 1128 CD ARG A 79 -8.634 16.776 -7.026 1.00 0.00 C ATOM 1129 NE ARG A 79 -7.929 17.613 -7.985 1.00 0.00 N ATOM 1130 CZ ARG A 79 -7.865 18.934 -7.866 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -8.635 19.553 -7.015 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -7.259 19.627 -8.792 1.00 0.00 N ATOM 0 H ARG A 79 -9.639 12.295 -4.818 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.688 12.716 -7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.133 14.504 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.995 14.682 -5.303 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.169 15.195 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.323 15.042 -8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.711 16.880 -7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.406 17.098 -6.010 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.467 17.168 -8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.288 19.022 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.584 20.568 -6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.843 19.153 -9.593 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.202 20.642 -8.714 1.00 0.00 H new ATOM 1146 N LEU A 80 -6.282 12.575 -6.944 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.901 12.341 -6.543 1.00 0.00 C ATOM 1148 C LEU A 80 -4.126 13.640 -6.742 1.00 0.00 C ATOM 1149 O LEU A 80 -4.110 14.202 -7.843 1.00 0.00 O ATOM 1150 CB LEU A 80 -4.300 11.226 -7.413 1.00 0.00 C ATOM 1151 CG LEU A 80 -5.116 9.933 -7.256 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -6.286 9.937 -8.250 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.214 8.726 -7.539 1.00 0.00 C ATOM 0 H LEU A 80 -6.447 12.575 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.849 12.033 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.292 11.535 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.264 11.048 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.505 9.871 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.863 9.019 -8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.928 10.796 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.899 9.999 -9.267 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.790 7.807 -7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.827 8.791 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.383 8.720 -6.834 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.531 14.117 -5.655 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.834 15.396 -5.654 1.00 0.00 C ATOM 1167 C ARG A 81 -1.332 15.173 -5.559 1.00 0.00 C ATOM 1168 O ARG A 81 -0.873 14.526 -4.626 1.00 0.00 O ATOM 1169 CB ARG A 81 -3.335 16.267 -4.501 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.800 16.653 -4.747 1.00 0.00 C ATOM 1171 CD ARG A 81 -5.347 17.432 -3.549 1.00 0.00 C ATOM 1172 NE ARG A 81 -4.614 18.679 -3.378 1.00 0.00 N ATOM 1173 CZ ARG A 81 -4.949 19.802 -4.012 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -5.954 19.831 -4.847 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -4.160 20.841 -3.925 1.00 0.00 N ATOM 0 H ARG A 81 -3.518 13.633 -4.757 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.042 15.917 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.244 15.728 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.721 17.164 -4.416 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.878 17.258 -5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.398 15.756 -4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.406 17.642 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.265 16.828 -2.646 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.812 18.693 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.496 18.985 -5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.196 20.700 -5.324 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.301 20.785 -3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.403 21.708 -4.405 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.576 15.916 -6.367 1.00 0.00 N ATOM 1190 CA GLN A 82 0.871 15.735 -6.403 1.00 0.00 C ATOM 1191 C GLN A 82 1.550 16.980 -5.837 1.00 0.00 C ATOM 1192 O GLN A 82 1.576 18.045 -6.447 1.00 0.00 O ATOM 1193 CB GLN A 82 1.327 15.446 -7.839 1.00 0.00 C ATOM 1194 CG GLN A 82 2.838 15.199 -7.862 1.00 0.00 C ATOM 1195 CD GLN A 82 3.286 14.733 -9.243 1.00 0.00 C ATOM 1196 OE1 GLN A 82 2.480 14.301 -10.057 1.00 0.00 O ATOM 1197 NE2 GLN A 82 4.550 14.795 -9.558 1.00 0.00 N ATOM 0 H GLN A 82 -0.935 16.636 -6.994 1.00 0.00 H new ATOM 0 HA GLN A 82 1.155 14.881 -5.788 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.801 14.575 -8.229 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.076 16.286 -8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.365 16.114 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.100 14.448 -7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.226 15.154 -8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.862 14.485 -10.478 1.00 0.00 H new ATOM 1206 N LYS A 83 2.105 16.768 -4.654 1.00 0.00 N ATOM 1207 CA LYS A 83 3.102 17.607 -4.008 1.00 0.00 C ATOM 1208 C LYS A 83 4.207 16.635 -3.608 1.00 0.00 C ATOM 1209 O LYS A 83 4.009 15.439 -3.809 1.00 0.00 O ATOM 1210 CB LYS A 83 2.464 18.275 -2.785 1.00 0.00 C ATOM 1211 CG LYS A 83 3.411 19.269 -2.103 1.00 0.00 C ATOM 1212 CD LYS A 83 2.663 19.924 -0.939 1.00 0.00 C ATOM 1213 CE LYS A 83 3.561 20.935 -0.223 1.00 0.00 C ATOM 1214 NZ LYS A 83 2.796 21.571 0.881 1.00 0.00 N ATOM 0 H LYS A 83 1.857 15.958 -4.086 1.00 0.00 H new ATOM 0 HA LYS A 83 3.489 18.406 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.555 18.794 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.168 17.509 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.303 18.757 -1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.744 20.025 -2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.768 20.423 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.333 19.160 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.447 20.437 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.908 21.693 -0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.402 22.260 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.964 22.058 0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.486 20.841 1.554 1.00 0.00 H new ATOM 1228 N ARG A 84 5.373 17.060 -3.117 1.00 0.00 N ATOM 1229 CA ARG A 84 6.258 16.015 -2.607 1.00 0.00 C ATOM 1230 C ARG A 84 5.774 15.700 -1.190 1.00 0.00 C ATOM 1231 O ARG A 84 6.577 15.342 -0.333 1.00 0.00 O ATOM 1232 CB ARG A 84 7.659 16.628 -2.481 1.00 0.00 C ATOM 1233 CG ARG A 84 8.235 17.004 -3.847 1.00 0.00 C ATOM 1234 CD ARG A 84 9.596 17.666 -3.616 1.00 0.00 C ATOM 1235 NE ARG A 84 10.190 18.091 -4.875 1.00 0.00 N ATOM 1236 CZ ARG A 84 11.333 18.783 -4.920 1.00 0.00 C ATOM 1237 NH1 ARG A 84 11.948 19.090 -3.808 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.639 19.443 -6.008 1.00 0.00 N ATOM 0 H ARG A 84 5.704 18.023 -3.062 1.00 0.00 H new ATOM 0 HA ARG A 84 6.267 15.133 -3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.613 17.515 -1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.324 15.919 -1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.343 16.118 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.563 17.684 -4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.479 18.526 -2.957 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.264 16.967 -3.113 1.00 0.00 H new ATOM 0 HE ARG A 84 9.720 17.854 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.556 18.802 -2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.820 19.618 -3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.008 19.426 -6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.508 19.975 -6.054 1.00 0.00 H new ATOM 1252 N MET A 85 4.504 15.301 -1.185 1.00 0.00 N ATOM 1253 CA MET A 85 3.876 14.355 -0.282 1.00 0.00 C ATOM 1254 C MET A 85 2.801 13.655 -1.109 1.00 0.00 C ATOM 1255 O MET A 85 1.966 14.364 -1.664 1.00 0.00 O ATOM 1256 CB MET A 85 3.225 15.163 0.850 1.00 0.00 C ATOM 1257 CG MET A 85 3.764 14.742 2.219 1.00 0.00 C ATOM 1258 SD MET A 85 2.996 15.775 3.493 1.00 0.00 S ATOM 1259 CE MET A 85 4.039 17.243 3.296 1.00 0.00 C ATOM 0 H MET A 85 3.840 15.663 -1.869 1.00 0.00 H new ATOM 0 HA MET A 85 4.573 13.634 0.146 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.412 16.225 0.695 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.144 15.023 0.824 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.545 13.690 2.403 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.848 14.852 2.248 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.647 17.380 4.190 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.689 17.114 2.431 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.409 18.120 3.149 1.00 0.00 H new ATOM 1269 N PRO A 86 2.755 12.327 -1.263 1.00 0.00 N ATOM 1270 CA PRO A 86 1.554 11.738 -1.918 1.00 0.00 C ATOM 1271 C PRO A 86 0.313 12.035 -1.087 1.00 0.00 C ATOM 1272 O PRO A 86 0.286 11.704 0.102 1.00 0.00 O ATOM 1273 CB PRO A 86 1.862 10.243 -1.998 1.00 0.00 C ATOM 1274 CG PRO A 86 3.342 10.121 -1.850 1.00 0.00 C ATOM 1275 CD PRO A 86 3.831 11.340 -1.059 1.00 0.00 C ATOM 0 HA PRO A 86 1.350 12.149 -2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.344 9.695 -1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.529 9.826 -2.948 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.600 9.198 -1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.823 10.081 -2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.968 11.106 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.788 11.705 -1.432 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.790 12.348 -1.766 1.00 0.00 N ATOM 1284 CA HIS A 87 -2.041 12.635 -1.068 1.00 0.00 C ATOM 1285 C HIS A 87 -3.224 12.372 -1.991 1.00 0.00 C ATOM 1286 O HIS A 87 -3.276 12.899 -3.099 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.045 14.088 -0.584 1.00 0.00 C ATOM 1288 CG HIS A 87 -3.155 14.292 0.409 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -3.141 13.679 1.653 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -4.279 15.084 0.388 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -4.162 14.193 2.362 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -4.969 14.928 1.591 1.00 0.00 N ATOM 0 H HIS A 87 -0.843 12.409 -2.783 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.128 11.980 -0.201 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.086 14.331 -0.126 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.174 14.762 -1.431 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.580 15.724 -0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.311 14.032 3.420 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.890 15.295 1.830 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.238 11.704 -1.456 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.477 11.473 -2.197 1.00 0.00 C ATOM 1303 C ILE A 88 -6.678 11.851 -1.331 1.00 0.00 C ATOM 1304 O ILE A 88 -6.575 11.824 -0.106 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.565 10.011 -2.650 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.599 9.067 -1.440 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.334 9.692 -3.507 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.854 7.631 -1.908 1.00 0.00 C ATOM 0 H ILE A 88 -4.230 11.312 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.482 12.101 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.481 9.868 -3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.654 9.120 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.381 9.377 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.380 8.655 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.315 10.350 -4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.430 9.844 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.877 6.966 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.810 7.583 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.057 7.321 -2.584 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.727 12.384 -1.951 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.954 12.683 -1.220 1.00 0.00 C ATOM 1322 C VAL A 89 -10.115 11.832 -1.729 1.00 0.00 C ATOM 1323 O VAL A 89 -10.541 11.965 -2.877 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.310 14.172 -1.335 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.338 15.008 -0.494 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.239 14.641 -2.795 1.00 0.00 C ATOM 0 H VAL A 89 -7.753 12.615 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.779 12.444 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.328 14.305 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.597 16.063 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.405 14.702 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.320 14.853 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.495 15.699 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.229 14.492 -3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.942 14.065 -3.397 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.799 11.220 -0.775 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.812 10.216 -1.064 1.00 0.00 C ATOM 1338 C VAL A 90 -13.140 10.701 -0.494 1.00 0.00 C ATOM 1339 O VAL A 90 -13.247 10.951 0.707 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.419 8.882 -0.413 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.601 7.902 -0.463 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.225 8.283 -1.158 1.00 0.00 C ATOM 0 H VAL A 90 -10.668 11.404 0.220 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.899 10.066 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.149 9.059 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.312 6.959 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.449 8.326 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.882 7.724 -1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.946 7.336 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.495 8.113 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.382 8.973 -1.109 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.173 10.648 -1.328 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.523 10.951 -0.890 1.00 0.00 C ATOM 1354 C LYS A 91 -16.454 9.869 -1.407 1.00 0.00 C ATOM 1355 O LYS A 91 -16.402 9.519 -2.578 1.00 0.00 O ATOM 1356 CB LYS A 91 -16.024 12.331 -1.356 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.522 12.750 -2.750 1.00 0.00 C ATOM 1358 CD LYS A 91 -14.013 13.046 -2.767 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.575 13.492 -4.166 1.00 0.00 C ATOM 1360 NZ LYS A 91 -12.115 13.774 -4.145 1.00 0.00 N ATOM 0 H LYS A 91 -14.096 10.397 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.513 10.980 0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.114 12.326 -1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.713 13.082 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.742 11.957 -3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.067 13.635 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.780 13.824 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.457 12.156 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.799 12.715 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.127 14.382 -4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.781 13.946 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.932 14.615 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.610 12.958 -3.744 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.405 9.478 -0.562 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.324 8.402 -0.902 1.00 0.00 C ATOM 1376 C CYS A 92 -19.757 8.921 -0.847 1.00 0.00 C ATOM 1377 O CYS A 92 -20.154 9.555 0.121 1.00 0.00 O ATOM 1378 CB CYS A 92 -18.159 7.230 0.073 1.00 0.00 C ATOM 1379 SG CYS A 92 -19.799 6.673 0.582 1.00 0.00 S ATOM 0 H CYS A 92 -17.557 9.890 0.359 1.00 0.00 H new ATOM 0 HA CYS A 92 -18.101 8.051 -1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -17.613 6.415 -0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.577 7.539 0.942 1.00 0.00 H new ATOM 0 HG CYS A 92 -19.820 6.508 1.871 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.512 8.625 -1.901 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.857 9.165 -2.050 1.00 0.00 C ATOM 1386 C LEU A 93 -22.803 8.670 -0.951 1.00 0.00 C ATOM 1387 O LEU A 93 -23.655 9.431 -0.500 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.370 8.834 -3.462 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.580 9.678 -4.475 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.846 9.182 -5.899 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -22.001 11.149 -4.364 1.00 0.00 C ATOM 0 H LEU A 93 -20.215 8.015 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.824 10.248 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.243 7.772 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.436 9.049 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.517 9.583 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -21.281 9.788 -6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.537 8.140 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.910 9.264 -6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.439 11.744 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -23.067 11.239 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.797 11.511 -3.356 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.722 7.394 -0.581 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.703 6.822 0.349 1.00 0.00 C ATOM 1405 C GLU A 94 -23.565 7.446 1.733 1.00 0.00 C ATOM 1406 O GLU A 94 -24.566 7.762 2.365 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.607 5.293 0.489 1.00 0.00 C ATOM 1408 CG GLU A 94 -22.549 4.681 -0.433 1.00 0.00 C ATOM 1409 CD GLU A 94 -22.866 4.961 -1.899 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -24.029 4.854 -2.251 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.069 5.676 -2.485 1.00 0.00 O ATOM 0 H GLU A 94 -22.004 6.744 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.676 7.053 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.372 5.041 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.578 4.850 0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.568 5.088 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.498 3.605 -0.268 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.325 7.649 2.168 1.00 0.00 N ATOM 1419 CA CYS A 95 -22.066 8.434 3.369 1.00 0.00 C ATOM 1420 C CYS A 95 -22.210 9.935 3.122 1.00 0.00 C ATOM 1421 O CYS A 95 -22.517 10.681 4.047 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.676 8.141 3.943 1.00 0.00 C ATOM 1423 SG CYS A 95 -20.501 6.376 4.296 1.00 0.00 S ATOM 0 H CYS A 95 -21.490 7.284 1.710 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.821 8.134 4.095 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -19.909 8.455 3.235 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.523 8.718 4.855 1.00 0.00 H new ATOM 0 HG CYS A 95 -19.350 5.958 3.860 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.854 10.386 1.921 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.921 11.805 1.591 1.00 0.00 C ATOM 1430 C GLY A 96 -20.711 12.562 2.128 1.00 0.00 C ATOM 1431 O GLY A 96 -20.705 13.788 2.146 1.00 0.00 O ATOM 0 H GLY A 96 -21.518 9.791 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.976 11.926 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.833 12.233 2.006 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.700 11.822 2.575 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.607 12.391 3.360 1.00 0.00 C ATOM 1437 C HIS A 97 -17.257 12.168 2.687 1.00 0.00 C ATOM 1438 O HIS A 97 -17.150 11.338 1.789 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.588 11.830 4.785 1.00 0.00 C ATOM 1440 CG HIS A 97 -19.836 12.275 5.500 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -20.080 13.611 5.773 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.822 11.588 6.168 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -21.206 13.662 6.511 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.834 12.484 6.501 1.00 0.00 N ATOM 0 H HIS A 97 -19.615 10.820 2.406 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.785 13.465 3.417 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.535 10.742 4.761 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.703 12.181 5.317 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -20.813 10.532 6.396 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -21.554 14.538 7.039 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.817 12.288 6.691 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.359 13.123 2.916 1.00 0.00 N ATOM 1454 CA ILE A 98 -15.020 13.119 2.330 1.00 0.00 C ATOM 1455 C ILE A 98 -13.961 12.848 3.394 1.00 0.00 C ATOM 1456 O ILE A 98 -14.141 13.205 4.558 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.706 14.466 1.666 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.318 14.386 1.012 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.749 15.595 2.699 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -13.055 15.610 0.128 1.00 0.00 C ATOM 0 H ILE A 98 -16.541 13.927 3.517 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.001 12.328 1.581 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.455 14.681 0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.552 14.320 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.246 13.478 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.524 16.543 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.743 15.643 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.011 15.404 3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.066 15.528 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.809 15.660 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.103 16.514 0.735 1.00 0.00 H new ATOM 1472 N MET A 99 -13.054 11.941 3.050 1.00 0.00 N ATOM 1473 CA MET A 99 -11.866 11.696 3.856 1.00 0.00 C ATOM 1474 C MET A 99 -10.597 11.915 3.044 1.00 0.00 C ATOM 1475 O MET A 99 -10.629 11.886 1.819 1.00 0.00 O ATOM 1476 CB MET A 99 -11.902 10.259 4.387 1.00 0.00 C ATOM 1477 CG MET A 99 -13.063 10.127 5.376 1.00 0.00 C ATOM 1478 SD MET A 99 -13.096 8.455 6.058 1.00 0.00 S ATOM 1479 CE MET A 99 -13.737 7.595 4.595 1.00 0.00 C ATOM 0 H MET A 99 -13.120 11.361 2.214 1.00 0.00 H new ATOM 0 HA MET A 99 -11.860 12.400 4.688 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.026 9.556 3.564 1.00 0.00 H new ATOM 0 HB3 MET A 99 -10.960 10.014 4.877 1.00 0.00 H new ATOM 0 HG2 MET A 99 -12.953 10.856 6.179 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.006 10.344 4.875 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.242 6.680 4.903 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.443 8.241 4.073 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.911 7.347 3.928 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.559 12.367 3.739 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.249 12.580 3.138 1.00 0.00 C ATOM 1491 C ARG A 100 -7.352 11.396 3.474 1.00 0.00 C ATOM 1492 O ARG A 100 -7.223 11.031 4.636 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.639 13.853 3.743 1.00 0.00 C ATOM 1494 CG ARG A 100 -8.470 15.081 3.358 1.00 0.00 C ATOM 1495 CD ARG A 100 -7.851 16.334 3.984 1.00 0.00 C ATOM 1496 NE ARG A 100 -7.963 16.269 5.436 1.00 0.00 N ATOM 1497 CZ ARG A 100 -9.068 16.649 6.081 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -10.149 16.972 5.419 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -9.107 16.597 7.390 1.00 0.00 N ATOM 0 H ARG A 100 -9.602 12.595 4.732 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.341 12.680 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.595 13.762 4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.614 13.975 3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.506 15.183 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.498 14.960 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.803 16.416 3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.356 17.225 3.611 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.171 15.922 5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.153 16.935 4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.988 17.261 5.922 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.295 16.267 7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.949 16.886 7.887 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.615 10.904 2.479 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.698 9.784 2.690 1.00 0.00 C ATOM 1515 C TYR A 101 -4.275 10.202 2.330 1.00 0.00 C ATOM 1516 O TYR A 101 -3.989 10.468 1.155 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.146 8.582 1.845 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.627 7.469 2.751 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -5.697 6.695 3.465 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -7.994 7.211 2.887 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -6.144 5.741 4.382 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -8.422 6.117 3.653 1.00 0.00 C ATOM 1523 CZ TYR A 101 -7.513 5.469 4.501 1.00 0.00 C ATOM 1524 OH TYR A 101 -7.951 4.478 5.356 1.00 0.00 O ATOM 0 H TYR A 101 -6.634 11.261 1.524 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.714 9.494 3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.944 8.881 1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.318 8.230 1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.638 6.837 3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.717 7.851 2.404 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -5.433 5.212 5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -9.445 5.776 3.590 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.929 4.422 5.318 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.460 10.547 3.335 1.00 0.00 N ATOM 1535 CA PRO A 102 -1.988 10.681 3.151 1.00 0.00 C ATOM 1536 C PRO A 102 -1.311 9.372 2.785 1.00 0.00 C ATOM 1537 O PRO A 102 -1.674 8.309 3.304 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.511 11.216 4.492 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.451 10.631 5.492 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.784 10.395 4.772 1.00 0.00 C ATOM 0 HA PRO A 102 -1.738 11.336 2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.482 10.917 4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.537 12.305 4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.057 9.696 5.890 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.584 11.306 6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.181 9.403 4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.539 11.116 5.087 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.294 9.454 1.936 1.00 0.00 N ATOM 1549 CA TYR A 103 0.552 8.306 1.619 1.00 0.00 C ATOM 1550 C TYR A 103 2.011 8.731 1.448 1.00 0.00 C ATOM 1551 O TYR A 103 2.300 9.916 1.303 1.00 0.00 O ATOM 1552 CB TYR A 103 0.019 7.630 0.350 1.00 0.00 C ATOM 1553 CG TYR A 103 0.908 6.468 -0.033 1.00 0.00 C ATOM 1554 CD1 TYR A 103 0.809 5.249 0.651 1.00 0.00 C ATOM 1555 CD2 TYR A 103 1.730 6.566 -1.160 1.00 0.00 C ATOM 1556 CE1 TYR A 103 1.604 4.162 0.257 1.00 0.00 C ATOM 1557 CE2 TYR A 103 2.448 5.458 -1.604 1.00 0.00 C ATOM 1558 CZ TYR A 103 2.486 4.296 -0.824 1.00 0.00 C ATOM 1559 OH TYR A 103 3.559 3.438 -0.934 1.00 0.00 O ATOM 0 H TYR A 103 -0.032 10.311 1.450 1.00 0.00 H new ATOM 0 HA TYR A 103 0.521 7.594 2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.000 7.279 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.021 8.351 -0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.123 5.146 1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.808 7.505 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.536 3.223 0.786 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.974 5.495 -2.547 1.00 0.00 H new ATOM 0 HH TYR A 103 4.075 3.660 -1.737 1.00 0.00 H new