USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 968 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 75 ASN : amide:sc= -0.373 X(o=-0.43,f=-0.43) USER MOD Set 1.2: A 90 MET CE :methyl -174:sc= -0.0523 (180deg=-0.103) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -55:sc= 0.13 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 28:sc= 0.119 USER MOD Single : A 14 TYR OH : rot 30:sc= -0.0977 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.431 K(o=-0.43,f=-1.7) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.759 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= -0.0314 (180deg=-0.28) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc=-0.00388 K(o=-0.0039,f=-1.4) USER MOD Single : A 53 HIS : no HD1:sc= -2.18! K(o=-2.2!,f=-1) USER MOD Single : A 54 LYS NZ :NH3+ -133:sc= 0.0259 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.012) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 59 MET CE :methyl 172:sc= -3.34! (180deg=-3.51!) USER MOD Single : A 60 THR OG1 : rot -160:sc= -0.406 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.205 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -177:sc= 0 (180deg=-0.00401) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -3.09! K(o=-3.1!,f=-1.5) USER MOD Single : A 71 TYR OH : rot 49:sc= -1.75! USER MOD Single : A 72 TYR OH : rot -50:sc= 0.352 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.9!) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0037 (180deg=-0.11) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.214 X(o=-0.21,f=0.038) USER MOD Single : A 109 SER OG : rot 180:sc= -0.094 USER MOD Single : A 110 GLN : amide:sc= -0.181 K(o=-0.18,f=-2!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.689 19.046 7.310 1.00 0.00 N ATOM 2 CA GLY A 1 -28.391 18.446 7.560 1.00 0.00 C ATOM 3 C GLY A 1 -28.338 17.710 8.884 1.00 0.00 C ATOM 4 O GLY A 1 -29.251 16.957 9.221 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.674 19.537 6.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.417 18.304 7.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.907 19.728 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.153 17.753 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.627 19.223 7.549 1.00 0.00 H new ATOM 8 N SER A 2 -27.264 17.928 9.637 1.00 0.00 N ATOM 9 CA SER A 2 -27.093 17.276 10.930 1.00 0.00 C ATOM 10 C SER A 2 -27.391 15.783 10.829 1.00 0.00 C ATOM 11 O SER A 2 -28.037 15.207 11.704 1.00 0.00 O ATOM 12 CB SER A 2 -28.005 17.920 11.976 1.00 0.00 C ATOM 13 OG SER A 2 -27.615 17.555 13.288 1.00 0.00 O ATOM 0 H SER A 2 -26.500 18.551 9.374 1.00 0.00 H new ATOM 0 HA SER A 2 -26.055 17.402 11.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.973 19.005 11.872 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.036 17.614 11.802 1.00 0.00 H new ATOM 0 HG SER A 2 -27.594 16.578 13.363 1.00 0.00 H new ATOM 19 N SER A 3 -26.914 15.162 9.755 1.00 0.00 N ATOM 20 CA SER A 3 -27.132 13.737 9.536 1.00 0.00 C ATOM 21 C SER A 3 -26.531 12.915 10.673 1.00 0.00 C ATOM 22 O SER A 3 -27.237 12.182 11.364 1.00 0.00 O ATOM 23 CB SER A 3 -26.521 13.305 8.202 1.00 0.00 C ATOM 24 OG SER A 3 -27.034 14.080 7.132 1.00 0.00 O ATOM 0 H SER A 3 -26.374 15.623 9.023 1.00 0.00 H new ATOM 0 HA SER A 3 -28.207 13.559 9.510 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.437 13.410 8.244 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.733 12.250 8.026 1.00 0.00 H new ATOM 0 HG SER A 3 -26.627 13.786 6.290 1.00 0.00 H new ATOM 30 N GLY A 4 -25.221 13.043 10.860 1.00 0.00 N ATOM 31 CA GLY A 4 -24.546 12.307 11.913 1.00 0.00 C ATOM 32 C GLY A 4 -23.774 11.115 11.383 1.00 0.00 C ATOM 33 O GLY A 4 -24.006 9.981 11.803 1.00 0.00 O ATOM 0 H GLY A 4 -24.615 13.643 10.301 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.863 12.974 12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.281 11.965 12.642 1.00 0.00 H new ATOM 37 N SER A 5 -22.855 11.370 10.458 1.00 0.00 N ATOM 38 CA SER A 5 -22.050 10.308 9.866 1.00 0.00 C ATOM 39 C SER A 5 -20.847 9.983 10.747 1.00 0.00 C ATOM 40 O SER A 5 -19.829 10.675 10.707 1.00 0.00 O ATOM 41 CB SER A 5 -21.578 10.715 8.469 1.00 0.00 C ATOM 42 OG SER A 5 -21.224 9.579 7.699 1.00 0.00 O ATOM 0 H SER A 5 -22.649 12.303 10.102 1.00 0.00 H new ATOM 0 HA SER A 5 -22.672 9.416 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.368 11.270 7.962 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.721 11.384 8.552 1.00 0.00 H new ATOM 0 HG SER A 5 -20.927 9.866 6.810 1.00 0.00 H new ATOM 48 N SER A 6 -20.973 8.926 11.543 1.00 0.00 N ATOM 49 CA SER A 6 -19.899 8.510 12.437 1.00 0.00 C ATOM 50 C SER A 6 -18.942 7.555 11.730 1.00 0.00 C ATOM 51 O SER A 6 -19.097 6.337 11.801 1.00 0.00 O ATOM 52 CB SER A 6 -20.476 7.840 13.685 1.00 0.00 C ATOM 53 OG SER A 6 -19.455 7.228 14.454 1.00 0.00 O ATOM 0 H SER A 6 -21.808 8.342 11.587 1.00 0.00 H new ATOM 0 HA SER A 6 -19.343 9.399 12.735 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.997 8.581 14.291 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.213 7.092 13.392 1.00 0.00 H new ATOM 0 HG SER A 6 -19.850 6.808 15.247 1.00 0.00 H new ATOM 59 N GLY A 7 -17.951 8.119 11.046 1.00 0.00 N ATOM 60 CA GLY A 7 -16.983 7.304 10.335 1.00 0.00 C ATOM 61 C GLY A 7 -15.668 8.026 10.114 1.00 0.00 C ATOM 62 O GLY A 7 -14.603 7.505 10.445 1.00 0.00 O ATOM 0 H GLY A 7 -17.801 9.125 10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.801 6.388 10.897 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.399 7.009 9.371 1.00 0.00 H new ATOM 66 N CYS A 8 -15.743 9.227 9.551 1.00 0.00 N ATOM 67 CA CYS A 8 -14.548 10.021 9.283 1.00 0.00 C ATOM 68 C CYS A 8 -13.753 10.256 10.563 1.00 0.00 C ATOM 69 O CYS A 8 -14.304 10.682 11.578 1.00 0.00 O ATOM 70 CB CYS A 8 -14.932 11.361 8.653 1.00 0.00 C ATOM 71 SG CYS A 8 -15.975 12.399 9.705 1.00 0.00 S ATOM 0 H CYS A 8 -16.617 9.672 9.271 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.921 9.466 8.585 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.022 11.909 8.408 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.454 11.173 7.715 1.00 0.00 H new ATOM 0 HG CYS A 8 -15.733 12.132 10.954 1.00 0.00 H new ATOM 77 N ARG A 9 -12.456 9.974 10.508 1.00 0.00 N ATOM 78 CA ARG A 9 -11.585 10.152 11.664 1.00 0.00 C ATOM 79 C ARG A 9 -10.135 10.342 11.228 1.00 0.00 C ATOM 80 O ARG A 9 -9.834 10.380 10.034 1.00 0.00 O ATOM 81 CB ARG A 9 -11.694 8.947 12.601 1.00 0.00 C ATOM 82 CG ARG A 9 -13.043 8.834 13.293 1.00 0.00 C ATOM 83 CD ARG A 9 -13.025 7.765 14.375 1.00 0.00 C ATOM 84 NE ARG A 9 -14.359 7.231 14.638 1.00 0.00 N ATOM 85 CZ ARG A 9 -15.294 7.889 15.312 1.00 0.00 C ATOM 86 NH1 ARG A 9 -15.044 9.101 15.789 1.00 0.00 N ATOM 87 NH2 ARG A 9 -16.484 7.336 15.511 1.00 0.00 N ATOM 0 H ARG A 9 -11.985 9.621 9.675 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.906 11.048 12.196 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.510 8.036 12.031 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.912 9.013 13.357 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.309 9.795 13.733 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.812 8.596 12.558 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.363 6.954 14.072 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.615 8.185 15.293 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.584 6.301 14.284 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.131 9.530 15.638 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.765 9.604 16.307 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.681 6.404 15.146 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.202 7.843 16.029 1.00 0.00 H new ATOM 101 N LEU A 10 -9.241 10.461 12.203 1.00 0.00 N ATOM 102 CA LEU A 10 -7.822 10.647 11.921 1.00 0.00 C ATOM 103 C LEU A 10 -7.360 9.712 10.808 1.00 0.00 C ATOM 104 O LEU A 10 -7.576 8.501 10.871 1.00 0.00 O ATOM 105 CB LEU A 10 -6.994 10.402 13.184 1.00 0.00 C ATOM 106 CG LEU A 10 -7.111 11.463 14.280 1.00 0.00 C ATOM 107 CD1 LEU A 10 -6.872 12.851 13.706 1.00 0.00 C ATOM 108 CD2 LEU A 10 -8.475 11.388 14.950 1.00 0.00 C ATOM 0 H LEU A 10 -9.473 10.432 13.196 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.675 11.675 11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.286 9.440 13.605 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.946 10.319 12.897 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.347 11.267 15.033 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.959 13.593 14.500 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.873 12.899 13.273 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.613 13.058 12.933 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.541 12.150 15.727 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.255 11.558 14.208 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.608 10.402 15.396 1.00 0.00 H new ATOM 120 N LEU A 11 -6.723 10.282 9.791 1.00 0.00 N ATOM 121 CA LEU A 11 -6.229 9.499 8.663 1.00 0.00 C ATOM 122 C LEU A 11 -5.566 8.212 9.143 1.00 0.00 C ATOM 123 O LEU A 11 -6.058 7.114 8.882 1.00 0.00 O ATOM 124 CB LEU A 11 -5.235 10.323 7.843 1.00 0.00 C ATOM 125 CG LEU A 11 -4.174 9.529 7.079 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.794 8.827 5.880 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.040 10.441 6.638 1.00 0.00 C ATOM 0 H LEU A 11 -6.536 11.283 9.724 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.079 9.235 8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.796 10.924 7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.728 11.017 8.514 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.764 8.771 7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.025 8.267 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.571 8.142 6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.231 9.568 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.295 9.859 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.433 11.222 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.578 10.897 7.514 1.00 0.00 H new ATOM 139 N TRP A 12 -4.449 8.355 9.848 1.00 0.00 N ATOM 140 CA TRP A 12 -3.720 7.203 10.366 1.00 0.00 C ATOM 141 C TRP A 12 -4.675 6.073 10.731 1.00 0.00 C ATOM 142 O TRP A 12 -4.403 4.904 10.456 1.00 0.00 O ATOM 143 CB TRP A 12 -2.895 7.605 11.590 1.00 0.00 C ATOM 144 CG TRP A 12 -3.689 7.622 12.862 1.00 0.00 C ATOM 145 CD1 TRP A 12 -4.094 8.724 13.559 1.00 0.00 C ATOM 146 CD2 TRP A 12 -4.171 6.486 13.587 1.00 0.00 C ATOM 147 NE1 TRP A 12 -4.799 8.341 14.675 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.861 6.973 14.714 1.00 0.00 C ATOM 149 CE3 TRP A 12 -4.088 5.104 13.393 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.463 6.126 15.641 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -4.686 4.266 14.314 1.00 0.00 C ATOM 152 CH2 TRP A 12 -5.366 4.778 15.426 1.00 0.00 C ATOM 0 H TRP A 12 -4.029 9.257 10.074 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.049 6.847 9.584 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.060 6.913 11.700 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.469 8.594 11.423 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.890 9.746 13.275 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.209 8.973 15.363 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.566 4.699 12.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.988 6.519 16.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.628 3.197 14.174 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -5.823 4.096 16.128 1.00 0.00 H new ATOM 163 N ASP A 13 -5.796 6.428 11.349 1.00 0.00 N ATOM 164 CA ASP A 13 -6.793 5.442 11.750 1.00 0.00 C ATOM 165 C ASP A 13 -7.562 4.924 10.539 1.00 0.00 C ATOM 166 O ASP A 13 -7.749 3.717 10.379 1.00 0.00 O ATOM 167 CB ASP A 13 -7.764 6.050 12.764 1.00 0.00 C ATOM 168 CG ASP A 13 -9.049 5.255 12.884 1.00 0.00 C ATOM 169 OD1 ASP A 13 -9.009 4.026 12.667 1.00 0.00 O ATOM 170 OD2 ASP A 13 -10.095 5.862 13.196 1.00 0.00 O ATOM 0 H ASP A 13 -6.037 7.391 11.583 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.273 4.604 12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.280 6.103 13.739 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.999 7.073 12.469 1.00 0.00 H new ATOM 175 N TYR A 14 -8.007 5.843 9.689 1.00 0.00 N ATOM 176 CA TYR A 14 -8.759 5.479 8.494 1.00 0.00 C ATOM 177 C TYR A 14 -8.220 4.189 7.883 1.00 0.00 C ATOM 178 O TYR A 14 -8.956 3.435 7.247 1.00 0.00 O ATOM 179 CB TYR A 14 -8.697 6.608 7.464 1.00 0.00 C ATOM 180 CG TYR A 14 -9.092 6.178 6.069 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.426 5.987 5.732 1.00 0.00 C ATOM 182 CD2 TYR A 14 -8.131 5.961 5.090 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.792 5.593 4.459 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.487 5.568 3.814 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.819 5.385 3.504 1.00 0.00 C ATOM 186 OH TYR A 14 -10.178 4.993 2.234 1.00 0.00 O ATOM 0 H TYR A 14 -7.860 6.846 9.805 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.797 5.317 8.784 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.353 7.417 7.785 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.684 7.010 7.438 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.190 6.149 6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.088 6.102 5.330 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.834 5.449 4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.727 5.405 3.064 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.065 5.350 2.020 1.00 0.00 H new ATOM 196 N VAL A 15 -6.930 3.941 8.083 1.00 0.00 N ATOM 197 CA VAL A 15 -6.291 2.741 7.555 1.00 0.00 C ATOM 198 C VAL A 15 -7.025 1.484 8.006 1.00 0.00 C ATOM 199 O VAL A 15 -7.618 0.774 7.193 1.00 0.00 O ATOM 200 CB VAL A 15 -4.818 2.649 7.996 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.172 1.390 7.438 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.053 3.889 7.560 1.00 0.00 C ATOM 0 H VAL A 15 -6.306 4.555 8.607 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.333 2.812 6.468 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.785 2.594 9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.132 1.342 7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.706 0.514 7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.214 1.411 6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.014 3.807 7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.092 3.978 6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.503 4.772 8.013 1.00 0.00 H new ATOM 212 N TYR A 16 -6.982 1.214 9.305 1.00 0.00 N ATOM 213 CA TYR A 16 -7.642 0.041 9.865 1.00 0.00 C ATOM 214 C TYR A 16 -8.937 -0.264 9.119 1.00 0.00 C ATOM 215 O TYR A 16 -9.084 -1.328 8.519 1.00 0.00 O ATOM 216 CB TYR A 16 -7.934 0.254 11.351 1.00 0.00 C ATOM 217 CG TYR A 16 -8.117 -1.033 12.123 1.00 0.00 C ATOM 218 CD1 TYR A 16 -7.075 -1.943 12.251 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.332 -1.339 12.724 1.00 0.00 C ATOM 220 CE1 TYR A 16 -7.238 -3.121 12.955 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.503 -2.514 13.431 1.00 0.00 C ATOM 222 CZ TYR A 16 -8.453 -3.401 13.544 1.00 0.00 C ATOM 223 OH TYR A 16 -8.620 -4.573 14.246 1.00 0.00 O ATOM 0 H TYR A 16 -6.497 1.792 9.991 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.970 -0.810 9.752 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.116 0.821 11.796 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.834 0.860 11.452 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.121 -1.726 11.793 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.157 -0.647 12.637 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.418 -3.819 13.043 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.454 -2.736 13.893 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.533 -4.616 14.598 1.00 0.00 H new ATOM 233 N GLN A 17 -9.872 0.680 9.162 1.00 0.00 N ATOM 234 CA GLN A 17 -11.156 0.513 8.490 1.00 0.00 C ATOM 235 C GLN A 17 -10.990 -0.252 7.181 1.00 0.00 C ATOM 236 O GLN A 17 -11.775 -1.149 6.870 1.00 0.00 O ATOM 237 CB GLN A 17 -11.795 1.876 8.220 1.00 0.00 C ATOM 238 CG GLN A 17 -12.494 2.471 9.433 1.00 0.00 C ATOM 239 CD GLN A 17 -13.571 1.561 9.990 1.00 0.00 C ATOM 240 OE1 GLN A 17 -14.078 0.681 9.293 1.00 0.00 O ATOM 241 NE2 GLN A 17 -13.927 1.768 11.252 1.00 0.00 N ATOM 0 H GLN A 17 -9.765 1.567 9.654 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.809 -0.063 9.146 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.025 2.568 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.516 1.776 7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.757 2.673 10.210 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.938 3.428 9.159 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.481 2.509 11.793 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -14.647 1.186 11.681 1.00 0.00 H new ATOM 250 N LEU A 18 -9.965 0.108 6.417 1.00 0.00 N ATOM 251 CA LEU A 18 -9.696 -0.544 5.140 1.00 0.00 C ATOM 252 C LEU A 18 -9.255 -1.989 5.349 1.00 0.00 C ATOM 253 O LEU A 18 -9.826 -2.914 4.769 1.00 0.00 O ATOM 254 CB LEU A 18 -8.619 0.223 4.370 1.00 0.00 C ATOM 255 CG LEU A 18 -9.000 1.629 3.904 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.839 2.281 3.170 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.235 1.580 3.017 1.00 0.00 C ATOM 0 H LEU A 18 -9.306 0.848 6.659 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.618 -0.545 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.734 0.299 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.338 -0.364 3.496 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.232 2.232 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.129 3.281 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.980 2.351 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.575 1.680 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.492 2.589 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.031 0.961 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.068 1.155 3.577 1.00 0.00 H new ATOM 269 N LEU A 19 -8.238 -2.177 6.183 1.00 0.00 N ATOM 270 CA LEU A 19 -7.721 -3.511 6.471 1.00 0.00 C ATOM 271 C LEU A 19 -8.856 -4.471 6.813 1.00 0.00 C ATOM 272 O LEU A 19 -8.959 -5.556 6.239 1.00 0.00 O ATOM 273 CB LEU A 19 -6.720 -3.453 7.626 1.00 0.00 C ATOM 274 CG LEU A 19 -5.286 -3.075 7.253 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.855 -3.801 5.988 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.160 -1.569 7.076 1.00 0.00 C ATOM 0 H LEU A 19 -7.755 -1.423 6.672 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.215 -3.879 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.084 -2.735 8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.702 -4.427 8.114 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.627 -3.381 8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.832 -3.520 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.906 -4.878 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.518 -3.527 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.133 -1.318 6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.830 -1.239 6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.426 -1.070 8.008 1.00 0.00 H new ATOM 288 N SER A 20 -9.705 -4.065 7.751 1.00 0.00 N ATOM 289 CA SER A 20 -10.832 -4.891 8.171 1.00 0.00 C ATOM 290 C SER A 20 -11.422 -5.649 6.986 1.00 0.00 C ATOM 291 O SER A 20 -11.346 -6.876 6.920 1.00 0.00 O ATOM 292 CB SER A 20 -11.910 -4.025 8.825 1.00 0.00 C ATOM 293 OG SER A 20 -11.598 -3.759 10.181 1.00 0.00 O ATOM 0 H SER A 20 -9.635 -3.170 8.235 1.00 0.00 H new ATOM 0 HA SER A 20 -10.468 -5.616 8.898 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.007 -3.086 8.280 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.874 -4.530 8.763 1.00 0.00 H new ATOM 0 HG SER A 20 -12.302 -3.202 10.575 1.00 0.00 H new ATOM 299 N ASP A 21 -12.009 -4.909 6.052 1.00 0.00 N ATOM 300 CA ASP A 21 -12.612 -5.510 4.868 1.00 0.00 C ATOM 301 C ASP A 21 -11.548 -5.845 3.827 1.00 0.00 C ATOM 302 O ASP A 21 -10.633 -5.057 3.584 1.00 0.00 O ATOM 303 CB ASP A 21 -13.653 -4.567 4.265 1.00 0.00 C ATOM 304 CG ASP A 21 -14.976 -4.616 5.004 1.00 0.00 C ATOM 305 OD1 ASP A 21 -14.959 -4.577 6.252 1.00 0.00 O ATOM 306 OD2 ASP A 21 -16.028 -4.694 4.335 1.00 0.00 O ATOM 0 H ASP A 21 -12.080 -3.892 6.092 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.103 -6.435 5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.268 -3.547 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.814 -4.829 3.219 1.00 0.00 H new ATOM 311 N SER A 22 -11.673 -7.019 3.216 1.00 0.00 N ATOM 312 CA SER A 22 -10.719 -7.460 2.205 1.00 0.00 C ATOM 313 C SER A 22 -11.099 -6.922 0.829 1.00 0.00 C ATOM 314 O SER A 22 -10.849 -7.565 -0.191 1.00 0.00 O ATOM 315 CB SER A 22 -10.654 -8.988 2.168 1.00 0.00 C ATOM 316 OG SER A 22 -9.357 -9.435 1.815 1.00 0.00 O ATOM 0 H SER A 22 -12.425 -7.682 3.403 1.00 0.00 H new ATOM 0 HA SER A 22 -9.737 -7.068 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.928 -9.390 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.381 -9.369 1.451 1.00 0.00 H new ATOM 0 HG SER A 22 -9.341 -10.415 1.800 1.00 0.00 H new ATOM 322 N ARG A 23 -11.704 -5.739 0.810 1.00 0.00 N ATOM 323 CA ARG A 23 -12.119 -5.114 -0.440 1.00 0.00 C ATOM 324 C ARG A 23 -11.064 -4.128 -0.933 1.00 0.00 C ATOM 325 O ARG A 23 -10.835 -3.997 -2.135 1.00 0.00 O ATOM 326 CB ARG A 23 -13.457 -4.395 -0.256 1.00 0.00 C ATOM 327 CG ARG A 23 -14.626 -5.336 -0.013 1.00 0.00 C ATOM 328 CD ARG A 23 -15.704 -4.678 0.833 1.00 0.00 C ATOM 329 NE ARG A 23 -16.573 -3.815 0.037 1.00 0.00 N ATOM 330 CZ ARG A 23 -17.605 -4.261 -0.669 1.00 0.00 C ATOM 331 NH1 ARG A 23 -17.897 -5.554 -0.678 1.00 0.00 N ATOM 332 NH2 ARG A 23 -18.349 -3.413 -1.369 1.00 0.00 N ATOM 0 H ARG A 23 -11.918 -5.194 1.646 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.235 -5.899 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.376 -3.705 0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.663 -3.795 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.050 -5.645 -0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.271 -6.238 0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.304 -5.448 1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.237 -4.092 1.624 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.376 -2.814 0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.328 -6.209 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.691 -5.894 -1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.128 -2.417 -1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.142 -3.757 -1.911 1.00 0.00 H new ATOM 346 N TYR A 24 -10.424 -3.438 0.005 1.00 0.00 N ATOM 347 CA TYR A 24 -9.395 -2.462 -0.333 1.00 0.00 C ATOM 348 C TYR A 24 -8.002 -3.069 -0.194 1.00 0.00 C ATOM 349 O TYR A 24 -7.020 -2.355 0.009 1.00 0.00 O ATOM 350 CB TYR A 24 -9.518 -1.229 0.563 1.00 0.00 C ATOM 351 CG TYR A 24 -10.937 -0.732 0.717 1.00 0.00 C ATOM 352 CD1 TYR A 24 -11.840 -1.394 1.541 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.376 0.399 0.040 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.138 -0.944 1.685 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.672 0.857 0.179 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.549 0.182 1.002 1.00 0.00 C ATOM 357 OH TYR A 24 -14.841 0.634 1.142 1.00 0.00 O ATOM 0 H TYR A 24 -10.600 -3.537 1.005 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.540 -2.164 -1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.115 -1.465 1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.904 -0.428 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.521 -2.275 2.078 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.692 0.929 -0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.827 -1.471 2.329 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.997 1.739 -0.354 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.968 1.437 0.595 1.00 0.00 H new ATOM 367 N GLU A 25 -7.925 -4.391 -0.306 1.00 0.00 N ATOM 368 CA GLU A 25 -6.653 -5.095 -0.192 1.00 0.00 C ATOM 369 C GLU A 25 -5.700 -4.679 -1.309 1.00 0.00 C ATOM 370 O GLU A 25 -4.559 -4.295 -1.055 1.00 0.00 O ATOM 371 CB GLU A 25 -6.876 -6.608 -0.234 1.00 0.00 C ATOM 372 CG GLU A 25 -7.004 -7.243 1.140 1.00 0.00 C ATOM 373 CD GLU A 25 -7.555 -6.284 2.177 1.00 0.00 C ATOM 374 OE1 GLU A 25 -8.421 -5.458 1.821 1.00 0.00 O ATOM 375 OE2 GLU A 25 -7.121 -6.360 3.345 1.00 0.00 O ATOM 0 H GLU A 25 -8.728 -4.996 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.204 -4.828 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.779 -6.818 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.046 -7.074 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.655 -8.114 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.026 -7.600 1.464 1.00 0.00 H new ATOM 382 N ASN A 26 -6.177 -4.760 -2.547 1.00 0.00 N ATOM 383 CA ASN A 26 -5.368 -4.393 -3.703 1.00 0.00 C ATOM 384 C ASN A 26 -4.689 -3.044 -3.487 1.00 0.00 C ATOM 385 O ASN A 26 -3.659 -2.750 -4.093 1.00 0.00 O ATOM 386 CB ASN A 26 -6.234 -4.344 -4.964 1.00 0.00 C ATOM 387 CG ASN A 26 -7.122 -5.565 -5.102 1.00 0.00 C ATOM 388 OD1 ASN A 26 -6.639 -6.677 -5.316 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.429 -5.363 -4.981 1.00 0.00 N ATOM 0 H ASN A 26 -7.119 -5.076 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.596 -5.152 -3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.854 -3.448 -4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.591 -4.265 -5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.076 -6.147 -5.065 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.786 -4.424 -4.804 1.00 0.00 H new ATOM 396 N PHE A 27 -5.274 -2.226 -2.617 1.00 0.00 N ATOM 397 CA PHE A 27 -4.726 -0.908 -2.320 1.00 0.00 C ATOM 398 C PHE A 27 -3.905 -0.937 -1.035 1.00 0.00 C ATOM 399 O PHE A 27 -2.849 -0.310 -0.946 1.00 0.00 O ATOM 400 CB PHE A 27 -5.854 0.119 -2.195 1.00 0.00 C ATOM 401 CG PHE A 27 -6.594 0.357 -3.481 1.00 0.00 C ATOM 402 CD1 PHE A 27 -5.909 0.687 -4.639 1.00 0.00 C ATOM 403 CD2 PHE A 27 -7.974 0.250 -3.531 1.00 0.00 C ATOM 404 CE1 PHE A 27 -6.587 0.906 -5.824 1.00 0.00 C ATOM 405 CE2 PHE A 27 -8.657 0.467 -4.712 1.00 0.00 C ATOM 406 CZ PHE A 27 -7.963 0.796 -5.860 1.00 0.00 C ATOM 0 H PHE A 27 -6.127 -2.453 -2.106 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.071 -0.620 -3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.560 -0.219 -1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.437 1.063 -1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.833 0.774 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.522 -0.006 -2.636 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.041 1.163 -6.720 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.733 0.379 -4.738 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.495 0.967 -6.784 1.00 0.00 H new ATOM 416 N ILE A 28 -4.398 -1.669 -0.041 1.00 0.00 N ATOM 417 CA ILE A 28 -3.710 -1.781 1.239 1.00 0.00 C ATOM 418 C ILE A 28 -4.093 -3.070 1.958 1.00 0.00 C ATOM 419 O ILE A 28 -5.263 -3.296 2.268 1.00 0.00 O ATOM 420 CB ILE A 28 -4.026 -0.583 2.154 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.331 -0.749 3.507 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.529 -0.439 2.339 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.241 0.534 4.302 1.00 0.00 C ATOM 0 H ILE A 28 -5.271 -2.193 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.642 -1.792 1.023 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.649 0.324 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.869 -1.493 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.326 -1.137 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.736 0.412 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.001 -0.279 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.928 -1.346 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.737 0.341 5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.677 1.275 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.244 0.913 4.496 1.00 0.00 H new ATOM 435 N ARG A 29 -3.098 -3.911 2.222 1.00 0.00 N ATOM 436 CA ARG A 29 -3.331 -5.178 2.906 1.00 0.00 C ATOM 437 C ARG A 29 -2.404 -5.324 4.109 1.00 0.00 C ATOM 438 O ARG A 29 -1.363 -4.670 4.187 1.00 0.00 O ATOM 439 CB ARG A 29 -3.121 -6.347 1.943 1.00 0.00 C ATOM 440 CG ARG A 29 -1.728 -6.395 1.336 1.00 0.00 C ATOM 441 CD ARG A 29 -1.737 -7.071 -0.026 1.00 0.00 C ATOM 442 NE ARG A 29 -2.166 -8.465 0.057 1.00 0.00 N ATOM 443 CZ ARG A 29 -2.107 -9.314 -0.962 1.00 0.00 C ATOM 444 NH1 ARG A 29 -1.639 -8.914 -2.137 1.00 0.00 N ATOM 445 NH2 ARG A 29 -2.517 -10.567 -0.809 1.00 0.00 N ATOM 0 H ARG A 29 -2.124 -3.738 1.973 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.362 -5.188 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.310 -7.281 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.856 -6.282 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.337 -5.382 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.056 -6.932 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.402 -6.527 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.738 -7.024 -0.460 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.531 -8.805 0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.323 -7.952 -2.259 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.595 -9.569 -2.918 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.878 -10.879 0.092 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.471 -11.218 -1.593 1.00 0.00 H new ATOM 459 N TRP A 30 -2.789 -6.184 5.045 1.00 0.00 N ATOM 460 CA TRP A 30 -1.993 -6.415 6.245 1.00 0.00 C ATOM 461 C TRP A 30 -0.634 -7.008 5.890 1.00 0.00 C ATOM 462 O TRP A 30 -0.550 -8.004 5.172 1.00 0.00 O ATOM 463 CB TRP A 30 -2.736 -7.348 7.203 1.00 0.00 C ATOM 464 CG TRP A 30 -3.650 -6.625 8.145 1.00 0.00 C ATOM 465 CD1 TRP A 30 -5.002 -6.781 8.256 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.278 -5.633 9.108 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.493 -5.945 9.230 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.456 -5.231 9.768 1.00 0.00 C ATOM 469 CE3 TRP A 30 -2.065 -5.046 9.478 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.453 -4.269 10.774 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -2.064 -4.092 10.477 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.251 -3.711 11.116 1.00 0.00 C ATOM 0 H TRP A 30 -3.647 -6.733 4.996 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.833 -5.455 6.736 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.317 -8.065 6.623 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -2.009 -7.919 7.780 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.598 -7.461 7.665 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.472 -5.869 9.507 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.145 -5.333 8.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.367 -3.973 11.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.132 -3.632 10.770 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.217 -2.962 11.894 1.00 0.00 H new ATOM 483 N GLU A 31 0.428 -6.391 6.399 1.00 0.00 N ATOM 484 CA GLU A 31 1.783 -6.859 6.134 1.00 0.00 C ATOM 485 C GLU A 31 2.213 -7.895 7.169 1.00 0.00 C ATOM 486 O GLU A 31 2.578 -9.019 6.824 1.00 0.00 O ATOM 487 CB GLU A 31 2.762 -5.683 6.136 1.00 0.00 C ATOM 488 CG GLU A 31 3.927 -5.860 5.176 1.00 0.00 C ATOM 489 CD GLU A 31 4.827 -7.019 5.557 1.00 0.00 C ATOM 490 OE1 GLU A 31 5.511 -6.923 6.597 1.00 0.00 O ATOM 491 OE2 GLU A 31 4.847 -8.023 4.814 1.00 0.00 O ATOM 0 H GLU A 31 0.376 -5.566 6.997 1.00 0.00 H new ATOM 0 HA GLU A 31 1.792 -7.328 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.223 -4.772 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.151 -5.546 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.542 -6.020 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.514 -4.942 5.150 1.00 0.00 H new ATOM 498 N ASP A 32 2.167 -7.508 8.439 1.00 0.00 N ATOM 499 CA ASP A 32 2.550 -8.402 9.526 1.00 0.00 C ATOM 500 C ASP A 32 1.538 -8.338 10.665 1.00 0.00 C ATOM 501 O ASP A 32 1.761 -7.665 11.671 1.00 0.00 O ATOM 502 CB ASP A 32 3.943 -8.041 10.044 1.00 0.00 C ATOM 503 CG ASP A 32 4.689 -9.244 10.586 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.513 -9.562 11.780 1.00 0.00 O ATOM 505 OD2 ASP A 32 5.450 -9.867 9.816 1.00 0.00 O ATOM 0 H ASP A 32 1.868 -6.581 8.741 1.00 0.00 H new ATOM 0 HA ASP A 32 2.568 -9.420 9.137 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.522 -7.591 9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.852 -7.290 10.829 1.00 0.00 H new ATOM 510 N LYS A 33 0.424 -9.043 10.499 1.00 0.00 N ATOM 511 CA LYS A 33 -0.624 -9.067 11.513 1.00 0.00 C ATOM 512 C LYS A 33 -0.031 -9.268 12.904 1.00 0.00 C ATOM 513 O LYS A 33 -0.538 -8.730 13.888 1.00 0.00 O ATOM 514 CB LYS A 33 -1.629 -10.181 11.210 1.00 0.00 C ATOM 515 CG LYS A 33 -2.789 -9.733 10.338 1.00 0.00 C ATOM 516 CD LYS A 33 -3.886 -9.081 11.161 1.00 0.00 C ATOM 517 CE LYS A 33 -5.249 -9.247 10.505 1.00 0.00 C ATOM 518 NZ LYS A 33 -5.894 -10.534 10.885 1.00 0.00 N ATOM 0 H LYS A 33 0.224 -9.605 9.672 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.138 -8.106 11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.110 -11.002 10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.021 -10.571 12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.430 -9.030 9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.196 -10.591 9.803 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.905 -9.521 12.158 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.668 -8.020 11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.895 -8.418 10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.139 -9.202 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.820 -10.609 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.290 -11.326 10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.023 -10.566 11.916 1.00 0.00 H new ATOM 532 N GLU A 34 1.046 -10.044 12.977 1.00 0.00 N ATOM 533 CA GLU A 34 1.708 -10.313 14.248 1.00 0.00 C ATOM 534 C GLU A 34 2.190 -9.019 14.896 1.00 0.00 C ATOM 535 O GLU A 34 2.129 -8.862 16.116 1.00 0.00 O ATOM 536 CB GLU A 34 2.889 -11.264 14.042 1.00 0.00 C ATOM 537 CG GLU A 34 2.478 -12.659 13.602 1.00 0.00 C ATOM 538 CD GLU A 34 3.525 -13.706 13.931 1.00 0.00 C ATOM 539 OE1 GLU A 34 4.518 -13.807 13.180 1.00 0.00 O ATOM 540 OE2 GLU A 34 3.351 -14.424 14.938 1.00 0.00 O ATOM 0 H GLU A 34 1.478 -10.497 12.172 1.00 0.00 H new ATOM 0 HA GLU A 34 0.983 -10.783 14.913 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.560 -10.840 13.295 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.452 -11.337 14.972 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.538 -12.926 14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.295 -12.658 12.527 1.00 0.00 H new ATOM 547 N SER A 35 2.669 -8.094 14.071 1.00 0.00 N ATOM 548 CA SER A 35 3.166 -6.814 14.563 1.00 0.00 C ATOM 549 C SER A 35 2.288 -5.666 14.074 1.00 0.00 C ATOM 550 O SER A 35 2.709 -4.509 14.059 1.00 0.00 O ATOM 551 CB SER A 35 4.611 -6.595 14.110 1.00 0.00 C ATOM 552 OG SER A 35 5.481 -7.542 14.706 1.00 0.00 O ATOM 0 H SER A 35 2.724 -8.207 13.059 1.00 0.00 H new ATOM 0 HA SER A 35 3.134 -6.835 15.652 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.671 -6.674 13.025 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.930 -5.587 14.375 1.00 0.00 H new ATOM 0 HG SER A 35 6.398 -7.382 14.399 1.00 0.00 H new ATOM 558 N LYS A 36 1.065 -5.995 13.673 1.00 0.00 N ATOM 559 CA LYS A 36 0.125 -4.993 13.183 1.00 0.00 C ATOM 560 C LYS A 36 0.781 -4.095 12.139 1.00 0.00 C ATOM 561 O LYS A 36 0.562 -2.884 12.123 1.00 0.00 O ATOM 562 CB LYS A 36 -0.399 -4.145 14.344 1.00 0.00 C ATOM 563 CG LYS A 36 -1.507 -4.816 15.136 1.00 0.00 C ATOM 564 CD LYS A 36 -2.075 -3.888 16.197 1.00 0.00 C ATOM 565 CE LYS A 36 -3.092 -2.923 15.606 1.00 0.00 C ATOM 566 NZ LYS A 36 -4.346 -3.617 15.202 1.00 0.00 N ATOM 0 H LYS A 36 0.701 -6.948 13.678 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.711 -5.513 12.715 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.428 -3.914 15.016 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.767 -3.196 13.953 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.303 -5.126 14.459 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.121 -5.719 15.610 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.546 -4.478 16.984 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.265 -3.326 16.661 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.325 -2.148 16.337 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.658 -2.424 14.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.114 -2.922 15.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.201 -4.093 14.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.600 -4.322 15.923 1.00 0.00 H new ATOM 580 N ILE A 37 1.585 -4.697 11.269 1.00 0.00 N ATOM 581 CA ILE A 37 2.270 -3.952 10.220 1.00 0.00 C ATOM 582 C ILE A 37 1.492 -4.004 8.910 1.00 0.00 C ATOM 583 O ILE A 37 0.974 -5.053 8.525 1.00 0.00 O ATOM 584 CB ILE A 37 3.692 -4.493 9.982 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.512 -4.419 11.271 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.375 -3.715 8.867 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.943 -4.882 11.105 1.00 0.00 C ATOM 0 H ILE A 37 1.778 -5.699 11.270 1.00 0.00 H new ATOM 0 HA ILE A 37 2.336 -2.918 10.559 1.00 0.00 H new ATOM 0 HB ILE A 37 3.621 -5.538 9.679 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.511 -3.391 11.634 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.028 -5.027 12.035 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.379 -4.109 8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.799 -3.815 7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.437 -2.662 9.143 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.464 -4.802 12.059 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.953 -5.920 10.772 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.444 -4.258 10.365 1.00 0.00 H new ATOM 599 N PHE A 38 1.415 -2.866 8.228 1.00 0.00 N ATOM 600 CA PHE A 38 0.700 -2.782 6.960 1.00 0.00 C ATOM 601 C PHE A 38 1.473 -1.933 5.955 1.00 0.00 C ATOM 602 O PHE A 38 2.472 -1.301 6.300 1.00 0.00 O ATOM 603 CB PHE A 38 -0.696 -2.194 7.175 1.00 0.00 C ATOM 604 CG PHE A 38 -0.682 -0.833 7.810 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.401 -0.687 9.159 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.949 0.300 7.059 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.388 0.564 9.746 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.937 1.554 7.640 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.655 1.686 8.986 1.00 0.00 C ATOM 0 H PHE A 38 1.839 -1.990 8.532 1.00 0.00 H new ATOM 0 HA PHE A 38 0.603 -3.791 6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.208 -2.133 6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.275 -2.873 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.190 -1.560 9.758 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.169 0.202 6.006 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.169 0.664 10.799 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.148 2.429 7.043 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.643 2.664 9.443 1.00 0.00 H new ATOM 619 N ARG A 39 1.004 -1.924 4.712 1.00 0.00 N ATOM 620 CA ARG A 39 1.652 -1.154 3.657 1.00 0.00 C ATOM 621 C ARG A 39 0.641 -0.730 2.595 1.00 0.00 C ATOM 622 O ARG A 39 -0.297 -1.466 2.288 1.00 0.00 O ATOM 623 CB ARG A 39 2.771 -1.973 3.012 1.00 0.00 C ATOM 624 CG ARG A 39 2.996 -1.648 1.544 1.00 0.00 C ATOM 625 CD ARG A 39 2.157 -2.539 0.642 1.00 0.00 C ATOM 626 NE ARG A 39 2.675 -3.904 0.585 1.00 0.00 N ATOM 627 CZ ARG A 39 2.404 -4.752 -0.400 1.00 0.00 C ATOM 628 NH1 ARG A 39 1.626 -4.378 -1.407 1.00 0.00 N ATOM 629 NH2 ARG A 39 2.913 -5.978 -0.381 1.00 0.00 N ATOM 0 H ARG A 39 0.178 -2.441 4.411 1.00 0.00 H new ATOM 0 HA ARG A 39 2.080 -0.258 4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.698 -1.801 3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.536 -3.033 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.747 -0.603 1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.051 -1.772 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.129 -2.556 1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.134 -2.118 -0.363 1.00 0.00 H new ATOM 0 HE ARG A 39 3.278 -4.223 1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.234 -3.437 -1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.420 -5.032 -2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.513 -6.269 0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.704 -6.629 -1.138 1.00 0.00 H new ATOM 643 N ILE A 40 0.839 0.460 2.039 1.00 0.00 N ATOM 644 CA ILE A 40 -0.054 0.982 1.012 1.00 0.00 C ATOM 645 C ILE A 40 0.327 0.454 -0.367 1.00 0.00 C ATOM 646 O ILE A 40 1.215 0.995 -1.027 1.00 0.00 O ATOM 647 CB ILE A 40 -0.040 2.521 0.982 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.831 3.083 2.165 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.611 3.031 -0.333 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.802 4.593 2.249 1.00 0.00 C ATOM 0 H ILE A 40 1.610 1.081 2.283 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.058 0.642 1.265 1.00 0.00 H new ATOM 0 HB ILE A 40 0.992 2.861 1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.867 2.751 2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.430 2.668 3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.594 4.121 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.010 2.655 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.638 2.683 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.383 4.921 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.228 4.932 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.230 5.016 1.340 1.00 0.00 H new ATOM 662 N VAL A 41 -0.352 -0.604 -0.799 1.00 0.00 N ATOM 663 CA VAL A 41 -0.087 -1.204 -2.101 1.00 0.00 C ATOM 664 C VAL A 41 -0.051 -0.144 -3.197 1.00 0.00 C ATOM 665 O VAL A 41 0.807 -0.178 -4.079 1.00 0.00 O ATOM 666 CB VAL A 41 -1.148 -2.260 -2.459 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.754 -3.007 -3.724 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.349 -3.226 -1.301 1.00 0.00 C ATOM 0 H VAL A 41 -1.090 -1.063 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 41 0.888 -1.688 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.093 -1.751 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.516 -3.749 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.665 -2.302 -4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.202 -3.506 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.102 -3.966 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.408 -3.730 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.681 -2.675 -0.421 1.00 0.00 H new ATOM 678 N ASP A 42 -0.987 0.796 -3.133 1.00 0.00 N ATOM 679 CA ASP A 42 -1.062 1.868 -4.120 1.00 0.00 C ATOM 680 C ASP A 42 -1.559 3.161 -3.480 1.00 0.00 C ATOM 681 O ASP A 42 -2.743 3.319 -3.181 1.00 0.00 O ATOM 682 CB ASP A 42 -1.985 1.467 -5.271 1.00 0.00 C ATOM 683 CG ASP A 42 -1.822 2.363 -6.483 1.00 0.00 C ATOM 684 OD1 ASP A 42 -0.671 2.551 -6.932 1.00 0.00 O ATOM 685 OD2 ASP A 42 -2.844 2.876 -6.983 1.00 0.00 O ATOM 0 H ASP A 42 -1.704 0.838 -2.409 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.059 2.039 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.779 0.435 -5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.020 1.504 -4.932 1.00 0.00 H new ATOM 690 N PRO A 43 -0.634 4.108 -3.264 1.00 0.00 N ATOM 691 CA PRO A 43 -0.955 5.403 -2.657 1.00 0.00 C ATOM 692 C PRO A 43 -1.786 6.287 -3.582 1.00 0.00 C ATOM 693 O PRO A 43 -2.662 7.022 -3.131 1.00 0.00 O ATOM 694 CB PRO A 43 0.420 6.030 -2.412 1.00 0.00 C ATOM 695 CG PRO A 43 1.314 5.388 -3.415 1.00 0.00 C ATOM 696 CD PRO A 43 0.795 3.988 -3.596 1.00 0.00 C ATOM 0 HA PRO A 43 -1.556 5.292 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.391 7.112 -2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.766 5.841 -1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.299 5.935 -4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.347 5.379 -3.068 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.942 3.634 -4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.303 3.283 -2.938 1.00 0.00 H new ATOM 704 N ASN A 44 -1.503 6.209 -4.879 1.00 0.00 N ATOM 705 CA ASN A 44 -2.225 7.002 -5.867 1.00 0.00 C ATOM 706 C ASN A 44 -3.661 6.509 -6.016 1.00 0.00 C ATOM 707 O ASN A 44 -4.572 7.292 -6.285 1.00 0.00 O ATOM 708 CB ASN A 44 -1.511 6.943 -7.219 1.00 0.00 C ATOM 709 CG ASN A 44 -2.137 7.868 -8.245 1.00 0.00 C ATOM 710 OD1 ASN A 44 -1.950 9.084 -8.197 1.00 0.00 O ATOM 711 ND2 ASN A 44 -2.886 7.294 -9.179 1.00 0.00 N ATOM 0 H ASN A 44 -0.780 5.605 -5.269 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.248 8.035 -5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.463 7.210 -7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.534 5.920 -7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.334 7.865 -9.896 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.013 6.282 -9.180 1.00 0.00 H new ATOM 718 N GLY A 45 -3.856 5.206 -5.840 1.00 0.00 N ATOM 719 CA GLY A 45 -5.183 4.631 -5.958 1.00 0.00 C ATOM 720 C GLY A 45 -5.921 4.599 -4.634 1.00 0.00 C ATOM 721 O GLY A 45 -7.148 4.499 -4.601 1.00 0.00 O ATOM 0 H GLY A 45 -3.118 4.538 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.762 5.207 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.103 3.617 -6.350 1.00 0.00 H new ATOM 725 N LEU A 46 -5.173 4.681 -3.540 1.00 0.00 N ATOM 726 CA LEU A 46 -5.763 4.659 -2.206 1.00 0.00 C ATOM 727 C LEU A 46 -6.054 6.074 -1.716 1.00 0.00 C ATOM 728 O LEU A 46 -7.047 6.312 -1.029 1.00 0.00 O ATOM 729 CB LEU A 46 -4.829 3.949 -1.225 1.00 0.00 C ATOM 730 CG LEU A 46 -5.257 3.969 0.243 1.00 0.00 C ATOM 731 CD1 LEU A 46 -6.211 2.822 0.537 1.00 0.00 C ATOM 732 CD2 LEU A 46 -4.040 3.900 1.154 1.00 0.00 C ATOM 0 H LEU A 46 -4.156 4.763 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.705 4.113 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.727 2.910 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.841 4.404 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.779 4.906 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.504 2.853 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.097 2.916 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.716 1.874 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.363 3.915 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.491 2.979 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.393 4.756 0.962 1.00 0.00 H new ATOM 744 N ALA A 47 -5.181 7.010 -2.075 1.00 0.00 N ATOM 745 CA ALA A 47 -5.346 8.402 -1.675 1.00 0.00 C ATOM 746 C ALA A 47 -6.742 8.911 -2.020 1.00 0.00 C ATOM 747 O ALA A 47 -7.382 9.587 -1.215 1.00 0.00 O ATOM 748 CB ALA A 47 -4.287 9.271 -2.339 1.00 0.00 C ATOM 0 H ALA A 47 -4.353 6.829 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.223 8.460 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.422 10.308 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.296 8.930 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.384 9.198 -3.422 1.00 0.00 H new ATOM 754 N ARG A 48 -7.207 8.581 -3.220 1.00 0.00 N ATOM 755 CA ARG A 48 -8.527 9.007 -3.671 1.00 0.00 C ATOM 756 C ARG A 48 -9.594 8.649 -2.642 1.00 0.00 C ATOM 757 O ARG A 48 -10.399 9.494 -2.247 1.00 0.00 O ATOM 758 CB ARG A 48 -8.863 8.359 -5.016 1.00 0.00 C ATOM 759 CG ARG A 48 -8.609 6.861 -5.051 1.00 0.00 C ATOM 760 CD ARG A 48 -8.361 6.370 -6.468 1.00 0.00 C ATOM 761 NE ARG A 48 -8.748 4.973 -6.640 1.00 0.00 N ATOM 762 CZ ARG A 48 -9.988 4.582 -6.914 1.00 0.00 C ATOM 763 NH1 ARG A 48 -10.955 5.480 -7.048 1.00 0.00 N ATOM 764 NH2 ARG A 48 -10.263 3.292 -7.056 1.00 0.00 N ATOM 0 H ARG A 48 -6.690 8.020 -3.897 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.511 10.090 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.911 8.547 -5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.273 8.837 -5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.748 6.622 -4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.465 6.336 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.920 6.990 -7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.305 6.486 -6.712 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.027 4.258 -6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.747 6.473 -6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.906 5.178 -7.258 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.522 2.598 -6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.215 2.994 -7.266 1.00 0.00 H new ATOM 778 N LEU A 49 -9.596 7.393 -2.210 1.00 0.00 N ATOM 779 CA LEU A 49 -10.565 6.923 -1.227 1.00 0.00 C ATOM 780 C LEU A 49 -10.568 7.820 0.007 1.00 0.00 C ATOM 781 O LEU A 49 -11.625 8.151 0.543 1.00 0.00 O ATOM 782 CB LEU A 49 -10.252 5.481 -0.822 1.00 0.00 C ATOM 783 CG LEU A 49 -10.032 4.495 -1.970 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.042 3.414 -1.562 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.353 3.875 -2.402 1.00 0.00 C ATOM 0 H LEU A 49 -8.937 6.681 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.554 6.960 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.359 5.486 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.071 5.112 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.616 5.040 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.898 2.721 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.088 3.873 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.430 2.872 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.177 3.176 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.798 3.344 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.032 4.660 -2.736 1.00 0.00 H new ATOM 797 N TRP A 50 -9.379 8.211 0.450 1.00 0.00 N ATOM 798 CA TRP A 50 -9.244 9.072 1.619 1.00 0.00 C ATOM 799 C TRP A 50 -9.767 10.474 1.326 1.00 0.00 C ATOM 800 O TRP A 50 -10.488 11.059 2.133 1.00 0.00 O ATOM 801 CB TRP A 50 -7.781 9.142 2.061 1.00 0.00 C ATOM 802 CG TRP A 50 -7.458 10.375 2.850 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.833 11.500 2.394 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.741 10.605 4.235 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.711 12.415 3.411 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.261 11.891 4.550 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.356 9.850 5.238 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.376 12.435 5.827 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.470 10.392 6.504 1.00 0.00 C ATOM 810 CH2 TRP A 50 -7.983 11.675 6.789 1.00 0.00 C ATOM 0 H TRP A 50 -8.494 7.946 0.017 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.839 8.643 2.425 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.548 8.263 2.662 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.140 9.105 1.180 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.486 11.649 1.382 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.280 13.336 3.331 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.735 8.861 5.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.999 13.422 6.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -8.942 9.817 7.287 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.089 12.072 7.788 1.00 0.00 H new ATOM 821 N GLY A 51 -9.399 11.008 0.165 1.00 0.00 N ATOM 822 CA GLY A 51 -9.842 12.337 -0.213 1.00 0.00 C ATOM 823 C GLY A 51 -11.297 12.366 -0.635 1.00 0.00 C ATOM 824 O GLY A 51 -11.927 13.422 -0.641 1.00 0.00 O ATOM 0 H GLY A 51 -8.802 10.544 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.697 13.017 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.222 12.704 -1.031 1.00 0.00 H new ATOM 828 N ASN A 52 -11.832 11.202 -0.989 1.00 0.00 N ATOM 829 CA ASN A 52 -13.223 11.098 -1.416 1.00 0.00 C ATOM 830 C ASN A 52 -14.169 11.524 -0.297 1.00 0.00 C ATOM 831 O ASN A 52 -14.853 12.543 -0.402 1.00 0.00 O ATOM 832 CB ASN A 52 -13.540 9.666 -1.850 1.00 0.00 C ATOM 833 CG ASN A 52 -14.726 9.596 -2.792 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.502 10.545 -2.902 1.00 0.00 O ATOM 835 ND2 ASN A 52 -14.871 8.467 -3.477 1.00 0.00 N ATOM 0 H ASN A 52 -11.324 10.318 -0.989 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.367 11.767 -2.264 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.666 9.235 -2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.744 9.059 -0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.650 8.361 -4.126 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.203 7.706 -3.354 1.00 0.00 H new ATOM 842 N HIS A 53 -14.202 10.737 0.773 1.00 0.00 N ATOM 843 CA HIS A 53 -15.064 11.033 1.913 1.00 0.00 C ATOM 844 C HIS A 53 -14.681 12.364 2.552 1.00 0.00 C ATOM 845 O HIS A 53 -15.538 13.095 3.049 1.00 0.00 O ATOM 846 CB HIS A 53 -14.976 9.912 2.950 1.00 0.00 C ATOM 847 CG HIS A 53 -13.855 10.088 3.927 1.00 0.00 C ATOM 848 ND1 HIS A 53 -12.718 9.307 3.918 1.00 0.00 N ATOM 849 CD2 HIS A 53 -13.699 10.963 4.948 1.00 0.00 C ATOM 850 CE1 HIS A 53 -11.913 9.693 4.891 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.485 10.697 5.532 1.00 0.00 N ATOM 0 H HIS A 53 -13.643 9.890 0.875 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.090 11.105 1.553 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.918 9.858 3.496 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.852 8.960 2.434 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.399 11.728 5.248 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.951 9.261 5.123 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -12.089 11.193 6.330 1.00 0.00 H new ATOM 860 N LYS A 54 -13.389 12.673 2.536 1.00 0.00 N ATOM 861 CA LYS A 54 -12.892 13.917 3.113 1.00 0.00 C ATOM 862 C LYS A 54 -13.440 15.124 2.358 1.00 0.00 C ATOM 863 O LYS A 54 -13.223 16.267 2.757 1.00 0.00 O ATOM 864 CB LYS A 54 -11.362 13.938 3.088 1.00 0.00 C ATOM 865 CG LYS A 54 -10.747 14.755 4.212 1.00 0.00 C ATOM 866 CD LYS A 54 -11.196 14.255 5.574 1.00 0.00 C ATOM 867 CE LYS A 54 -10.123 14.476 6.630 1.00 0.00 C ATOM 868 NZ LYS A 54 -10.487 13.847 7.930 1.00 0.00 N ATOM 0 H LYS A 54 -12.666 12.079 2.130 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.234 13.972 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.992 12.915 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.028 14.341 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.660 14.707 4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.027 15.802 4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.110 14.770 5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.435 13.193 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.177 14.063 6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.970 15.546 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.323 14.525 8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.491 13.576 7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.902 13.001 8.082 1.00 0.00 H new ATOM 882 N ASN A 55 -14.152 14.861 1.268 1.00 0.00 N ATOM 883 CA ASN A 55 -14.733 15.926 0.458 1.00 0.00 C ATOM 884 C ASN A 55 -13.648 16.859 -0.072 1.00 0.00 C ATOM 885 O ASN A 55 -13.758 18.080 0.036 1.00 0.00 O ATOM 886 CB ASN A 55 -15.749 16.722 1.279 1.00 0.00 C ATOM 887 CG ASN A 55 -17.105 16.045 1.336 1.00 0.00 C ATOM 888 OD1 ASN A 55 -17.622 15.756 2.415 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.686 15.787 0.170 1.00 0.00 N ATOM 0 H ASN A 55 -14.341 13.919 0.925 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.240 15.468 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.369 16.854 2.292 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.861 17.717 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.598 15.331 0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.220 16.045 -0.700 1.00 0.00 H new ATOM 896 N ARG A 56 -12.601 16.275 -0.645 1.00 0.00 N ATOM 897 CA ARG A 56 -11.496 17.053 -1.191 1.00 0.00 C ATOM 898 C ARG A 56 -11.422 16.902 -2.708 1.00 0.00 C ATOM 899 O ARG A 56 -12.166 16.121 -3.302 1.00 0.00 O ATOM 900 CB ARG A 56 -10.173 16.614 -0.560 1.00 0.00 C ATOM 901 CG ARG A 56 -9.760 17.456 0.636 1.00 0.00 C ATOM 902 CD ARG A 56 -10.732 17.294 1.794 1.00 0.00 C ATOM 903 NE ARG A 56 -10.490 18.271 2.853 1.00 0.00 N ATOM 904 CZ ARG A 56 -10.972 19.508 2.835 1.00 0.00 C ATOM 905 NH1 ARG A 56 -11.719 19.918 1.819 1.00 0.00 N ATOM 906 NH2 ARG A 56 -10.708 20.339 3.836 1.00 0.00 N ATOM 0 H ARG A 56 -12.495 15.265 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.673 18.102 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.256 15.573 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.388 16.660 -1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.759 17.168 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.712 18.505 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.753 17.402 1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.644 16.287 2.203 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.920 17.987 3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.925 19.282 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.088 20.869 1.808 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.134 20.027 4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.079 21.289 3.821 1.00 0.00 H new ATOM 920 N THR A 57 -10.520 17.656 -3.329 1.00 0.00 N ATOM 921 CA THR A 57 -10.351 17.608 -4.776 1.00 0.00 C ATOM 922 C THR A 57 -8.892 17.371 -5.151 1.00 0.00 C ATOM 923 O THR A 57 -8.019 18.171 -4.819 1.00 0.00 O ATOM 924 CB THR A 57 -10.835 18.910 -5.442 1.00 0.00 C ATOM 925 OG1 THR A 57 -12.178 19.197 -5.037 1.00 0.00 O ATOM 926 CG2 THR A 57 -10.770 18.799 -6.958 1.00 0.00 C ATOM 0 H THR A 57 -9.896 18.307 -2.853 1.00 0.00 H new ATOM 0 HA THR A 57 -10.957 16.777 -5.138 1.00 0.00 H new ATOM 0 HB THR A 57 -10.179 19.720 -5.124 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.478 20.027 -5.463 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.117 19.730 -7.406 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.742 18.609 -7.265 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.405 17.978 -7.290 1.00 0.00 H new ATOM 934 N ASN A 58 -8.636 16.267 -5.845 1.00 0.00 N ATOM 935 CA ASN A 58 -7.282 15.925 -6.266 1.00 0.00 C ATOM 936 C ASN A 58 -6.415 15.562 -5.064 1.00 0.00 C ATOM 937 O ASN A 58 -5.272 16.005 -4.954 1.00 0.00 O ATOM 938 CB ASN A 58 -6.653 17.093 -7.029 1.00 0.00 C ATOM 939 CG ASN A 58 -5.562 16.640 -7.980 1.00 0.00 C ATOM 940 OD1 ASN A 58 -4.376 16.707 -7.659 1.00 0.00 O ATOM 941 ND2 ASN A 58 -5.961 16.176 -9.159 1.00 0.00 N ATOM 0 H ASN A 58 -9.348 15.594 -6.128 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.340 15.059 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.427 17.616 -7.591 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.238 17.807 -6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.273 15.857 -9.841 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.956 16.139 -9.382 1.00 0.00 H new ATOM 948 N MET A 59 -6.967 14.752 -4.167 1.00 0.00 N ATOM 949 CA MET A 59 -6.243 14.327 -2.974 1.00 0.00 C ATOM 950 C MET A 59 -5.036 13.471 -3.346 1.00 0.00 C ATOM 951 O MET A 59 -5.184 12.353 -3.840 1.00 0.00 O ATOM 952 CB MET A 59 -7.169 13.546 -2.040 1.00 0.00 C ATOM 953 CG MET A 59 -6.437 12.833 -0.915 1.00 0.00 C ATOM 954 SD MET A 59 -5.878 13.963 0.375 1.00 0.00 S ATOM 955 CE MET A 59 -7.441 14.428 1.117 1.00 0.00 C ATOM 0 H MET A 59 -7.912 14.377 -4.243 1.00 0.00 H new ATOM 0 HA MET A 59 -5.888 15.219 -2.458 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.900 14.231 -1.610 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.725 12.812 -2.623 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.095 12.083 -0.476 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.578 12.302 -1.325 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.256 15.011 2.019 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.016 15.026 0.410 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.003 13.530 1.374 1.00 0.00 H new ATOM 965 N THR A 60 -3.842 14.003 -3.107 1.00 0.00 N ATOM 966 CA THR A 60 -2.610 13.288 -3.418 1.00 0.00 C ATOM 967 C THR A 60 -2.064 12.573 -2.188 1.00 0.00 C ATOM 968 O THR A 60 -2.657 12.629 -1.111 1.00 0.00 O ATOM 969 CB THR A 60 -1.531 14.241 -3.966 1.00 0.00 C ATOM 970 OG1 THR A 60 -1.226 15.247 -2.993 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.995 14.900 -5.256 1.00 0.00 C ATOM 0 H THR A 60 -3.702 14.927 -2.699 1.00 0.00 H new ATOM 0 HA THR A 60 -2.856 12.552 -4.183 1.00 0.00 H new ATOM 0 HB THR A 60 -0.635 13.657 -4.177 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.800 16.011 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.216 15.568 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.198 14.133 -6.004 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.904 15.471 -5.066 1.00 0.00 H new ATOM 979 N TYR A 61 -0.930 11.901 -2.356 1.00 0.00 N ATOM 980 CA TYR A 61 -0.304 11.173 -1.259 1.00 0.00 C ATOM 981 C TYR A 61 0.564 12.100 -0.414 1.00 0.00 C ATOM 982 O TYR A 61 0.548 12.034 0.814 1.00 0.00 O ATOM 983 CB TYR A 61 0.540 10.018 -1.801 1.00 0.00 C ATOM 984 CG TYR A 61 1.259 9.236 -0.725 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.567 8.361 0.103 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.628 9.373 -0.537 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.219 7.644 1.088 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.289 8.659 0.445 1.00 0.00 C ATOM 989 CZ TYR A 61 2.580 7.796 1.254 1.00 0.00 C ATOM 990 OH TYR A 61 3.234 7.085 2.234 1.00 0.00 O ATOM 0 H TYR A 61 -0.426 11.846 -3.241 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.095 10.770 -0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.104 9.341 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.274 10.414 -2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.498 8.239 -0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.186 10.049 -1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.666 6.969 1.724 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.354 8.776 0.578 1.00 0.00 H new ATOM 0 HH TYR A 61 4.189 7.306 2.217 1.00 0.00 H new ATOM 1000 N GLU A 62 1.321 12.964 -1.084 1.00 0.00 N ATOM 1001 CA GLU A 62 2.197 13.905 -0.396 1.00 0.00 C ATOM 1002 C GLU A 62 1.434 14.671 0.681 1.00 0.00 C ATOM 1003 O GLU A 62 1.968 14.958 1.752 1.00 0.00 O ATOM 1004 CB GLU A 62 2.814 14.886 -1.395 1.00 0.00 C ATOM 1005 CG GLU A 62 1.823 15.420 -2.415 1.00 0.00 C ATOM 1006 CD GLU A 62 2.270 16.730 -3.033 1.00 0.00 C ATOM 1007 OE1 GLU A 62 2.186 17.770 -2.346 1.00 0.00 O ATOM 1008 OE2 GLU A 62 2.705 16.716 -4.203 1.00 0.00 O ATOM 0 H GLU A 62 1.345 13.031 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 62 2.994 13.336 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.247 15.724 -0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.631 14.391 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.684 14.680 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.854 15.561 -1.936 1.00 0.00 H new ATOM 1015 N LYS A 63 0.180 15.000 0.388 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.659 15.732 1.329 1.00 0.00 C ATOM 1017 C LYS A 63 -1.324 14.781 2.318 1.00 0.00 C ATOM 1018 O LYS A 63 -1.909 15.214 3.311 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.726 16.532 0.577 1.00 0.00 C ATOM 1020 CG LYS A 63 -2.878 15.681 0.071 1.00 0.00 C ATOM 1021 CD LYS A 63 -4.022 16.541 -0.443 1.00 0.00 C ATOM 1022 CE LYS A 63 -3.534 17.575 -1.446 1.00 0.00 C ATOM 1023 NZ LYS A 63 -4.625 18.499 -1.864 1.00 0.00 N ATOM 0 H LYS A 63 -0.277 14.771 -0.494 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.023 16.420 1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.119 17.307 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.260 17.038 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.526 15.027 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.237 15.038 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.775 15.906 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.505 17.044 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.719 18.150 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.131 17.069 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.253 19.189 -2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.392 17.953 -2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.993 19.001 -1.031 1.00 0.00 H new ATOM 1037 N MET A 64 -1.230 13.485 2.041 1.00 0.00 N ATOM 1038 CA MET A 64 -1.821 12.473 2.910 1.00 0.00 C ATOM 1039 C MET A 64 -0.820 12.010 3.963 1.00 0.00 C ATOM 1040 O MET A 64 -0.997 12.263 5.155 1.00 0.00 O ATOM 1041 CB MET A 64 -2.299 11.278 2.084 1.00 0.00 C ATOM 1042 CG MET A 64 -3.496 10.561 2.688 1.00 0.00 C ATOM 1043 SD MET A 64 -4.150 9.272 1.612 1.00 0.00 S ATOM 1044 CE MET A 64 -3.072 7.903 2.028 1.00 0.00 C ATOM 0 H MET A 64 -0.751 13.110 1.222 1.00 0.00 H new ATOM 0 HA MET A 64 -2.676 12.920 3.418 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.558 11.620 1.082 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.478 10.569 1.976 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.207 10.120 3.642 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.282 11.287 2.897 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.317 7.044 1.404 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.035 8.192 1.857 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.207 7.639 3.077 1.00 0.00 H new ATOM 1054 N SER A 65 0.231 11.330 3.516 1.00 0.00 N ATOM 1055 CA SER A 65 1.258 10.828 4.422 1.00 0.00 C ATOM 1056 C SER A 65 1.613 11.873 5.474 1.00 0.00 C ATOM 1057 O SER A 65 2.108 11.543 6.552 1.00 0.00 O ATOM 1058 CB SER A 65 2.510 10.431 3.637 1.00 0.00 C ATOM 1059 OG SER A 65 3.593 10.158 4.509 1.00 0.00 O ATOM 0 H SER A 65 0.394 11.114 2.533 1.00 0.00 H new ATOM 0 HA SER A 65 0.862 9.948 4.929 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.298 9.552 3.029 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.784 11.234 2.952 1.00 0.00 H new ATOM 0 HG SER A 65 4.381 9.905 3.983 1.00 0.00 H new ATOM 1065 N ARG A 66 1.357 13.137 5.153 1.00 0.00 N ATOM 1066 CA ARG A 66 1.650 14.233 6.069 1.00 0.00 C ATOM 1067 C ARG A 66 1.274 13.860 7.500 1.00 0.00 C ATOM 1068 O ARG A 66 2.078 14.004 8.421 1.00 0.00 O ATOM 1069 CB ARG A 66 0.898 15.496 5.645 1.00 0.00 C ATOM 1070 CG ARG A 66 1.617 16.303 4.577 1.00 0.00 C ATOM 1071 CD ARG A 66 2.530 17.353 5.192 1.00 0.00 C ATOM 1072 NE ARG A 66 3.847 16.811 5.515 1.00 0.00 N ATOM 1073 CZ ARG A 66 4.941 17.556 5.625 1.00 0.00 C ATOM 1074 NH1 ARG A 66 4.876 18.868 5.439 1.00 0.00 N ATOM 1075 NH2 ARG A 66 6.104 16.990 5.922 1.00 0.00 N ATOM 0 H ARG A 66 0.947 13.428 4.265 1.00 0.00 H new ATOM 0 HA ARG A 66 2.722 14.428 6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.087 15.215 5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.741 16.126 6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.203 15.634 3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.885 16.789 3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.641 18.187 4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.069 17.749 6.097 1.00 0.00 H new ATOM 0 HE ARG A 66 3.931 15.806 5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.984 19.307 5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.718 19.437 5.524 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.158 15.982 6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.943 17.563 6.006 1.00 0.00 H new ATOM 1089 N ALA A 67 0.047 13.382 7.679 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.434 12.987 8.997 1.00 0.00 C ATOM 1091 C ALA A 67 0.459 11.914 9.609 1.00 0.00 C ATOM 1092 O ALA A 67 1.109 12.141 10.630 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.871 12.494 8.908 1.00 0.00 C ATOM 0 H ALA A 67 -0.632 13.259 6.928 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.401 13.862 9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.218 12.202 9.899 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.506 13.291 8.522 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.920 11.635 8.239 1.00 0.00 H new ATOM 1099 N LEU A 68 0.485 10.744 8.981 1.00 0.00 N ATOM 1100 CA LEU A 68 1.299 9.634 9.465 1.00 0.00 C ATOM 1101 C LEU A 68 2.591 10.141 10.096 1.00 0.00 C ATOM 1102 O LEU A 68 2.977 9.704 11.181 1.00 0.00 O ATOM 1103 CB LEU A 68 1.621 8.674 8.318 1.00 0.00 C ATOM 1104 CG LEU A 68 0.483 7.755 7.873 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.410 7.401 9.052 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.329 8.409 6.765 1.00 0.00 C ATOM 0 H LEU A 68 -0.048 10.539 8.136 1.00 0.00 H new ATOM 0 HA LEU A 68 0.728 9.102 10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.944 9.262 7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.467 8.054 8.616 1.00 0.00 H new ATOM 0 HG LEU A 68 0.917 6.834 7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.214 6.746 8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.179 6.890 9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.836 8.312 9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.134 7.740 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.752 9.345 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.317 8.610 5.911 1.00 0.00 H new ATOM 1118 N ARG A 69 3.255 11.067 9.412 1.00 0.00 N ATOM 1119 CA ARG A 69 4.504 11.634 9.907 1.00 0.00 C ATOM 1120 C ARG A 69 4.305 12.274 11.278 1.00 0.00 C ATOM 1121 O ARG A 69 4.825 11.787 12.283 1.00 0.00 O ATOM 1122 CB ARG A 69 5.042 12.673 8.921 1.00 0.00 C ATOM 1123 CG ARG A 69 6.330 13.338 9.380 1.00 0.00 C ATOM 1124 CD ARG A 69 7.194 13.753 8.200 1.00 0.00 C ATOM 1125 NE ARG A 69 8.254 14.677 8.596 1.00 0.00 N ATOM 1126 CZ ARG A 69 8.037 15.942 8.937 1.00 0.00 C ATOM 1127 NH1 ARG A 69 6.805 16.431 8.931 1.00 0.00 N ATOM 1128 NH2 ARG A 69 9.053 16.720 9.286 1.00 0.00 N ATOM 0 H ARG A 69 2.949 11.441 8.514 1.00 0.00 H new ATOM 0 HA ARG A 69 5.228 10.825 10.004 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.214 12.193 7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.283 13.440 8.764 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.093 14.213 9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.888 12.652 10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.637 12.867 7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.569 14.222 7.440 1.00 0.00 H new ATOM 0 HE ARG A 69 9.214 14.332 8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.021 15.835 8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.641 17.403 9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.002 16.347 9.293 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.885 17.691 9.548 1.00 0.00 H new ATOM 1142 N HIS A 70 3.549 13.367 11.311 1.00 0.00 N ATOM 1143 CA HIS A 70 3.281 14.073 12.559 1.00 0.00 C ATOM 1144 C HIS A 70 2.985 13.089 13.687 1.00 0.00 C ATOM 1145 O HIS A 70 3.356 13.320 14.839 1.00 0.00 O ATOM 1146 CB HIS A 70 2.105 15.034 12.383 1.00 0.00 C ATOM 1147 CG HIS A 70 2.510 16.398 11.917 1.00 0.00 C ATOM 1148 ND1 HIS A 70 2.817 17.429 12.780 1.00 0.00 N ATOM 1149 CD2 HIS A 70 2.661 16.898 10.668 1.00 0.00 C ATOM 1150 CE1 HIS A 70 3.136 18.504 12.083 1.00 0.00 C ATOM 1151 NE2 HIS A 70 3.050 18.209 10.798 1.00 0.00 N ATOM 0 H HIS A 70 3.112 13.783 10.489 1.00 0.00 H new ATOM 0 HA HIS A 70 4.171 14.644 12.823 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.403 14.608 11.666 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.576 15.125 13.332 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.505 16.365 9.742 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.419 19.462 12.494 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.241 18.850 10.028 1.00 0.00 H new ATOM 1160 N TYR A 71 2.316 11.993 13.350 1.00 0.00 N ATOM 1161 CA TYR A 71 1.967 10.976 14.335 1.00 0.00 C ATOM 1162 C TYR A 71 3.208 10.216 14.794 1.00 0.00 C ATOM 1163 O TYR A 71 3.339 9.871 15.969 1.00 0.00 O ATOM 1164 CB TYR A 71 0.944 10.001 13.752 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.379 10.646 13.405 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -0.941 11.611 14.232 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -1.067 10.290 12.252 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.149 12.203 13.920 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.276 10.877 11.932 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.813 11.833 12.769 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.017 12.420 12.453 1.00 0.00 O ATOM 0 H TYR A 71 2.004 11.785 12.401 1.00 0.00 H new ATOM 0 HA TYR A 71 1.529 11.477 15.198 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.361 9.543 12.855 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.770 9.198 14.469 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.424 11.903 15.134 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.650 9.542 11.595 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.572 12.952 14.574 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.798 10.589 11.031 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.936 13.394 12.530 1.00 0.00 H new ATOM 1181 N TYR A 72 4.115 9.958 13.859 1.00 0.00 N ATOM 1182 CA TYR A 72 5.345 9.237 14.166 1.00 0.00 C ATOM 1183 C TYR A 72 5.967 9.747 15.463 1.00 0.00 C ATOM 1184 O TYR A 72 6.394 8.963 16.311 1.00 0.00 O ATOM 1185 CB TYR A 72 6.345 9.379 13.017 1.00 0.00 C ATOM 1186 CG TYR A 72 5.902 8.700 11.741 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.733 7.949 11.700 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.652 8.807 10.577 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.325 7.326 10.537 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.251 8.188 9.409 1.00 0.00 C ATOM 1191 CZ TYR A 72 5.087 7.448 9.394 1.00 0.00 C ATOM 1192 OH TYR A 72 4.685 6.829 8.233 1.00 0.00 O ATOM 0 H TYR A 72 4.022 10.237 12.882 1.00 0.00 H new ATOM 0 HA TYR A 72 5.096 8.184 14.294 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.508 10.438 12.817 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.303 8.962 13.327 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.134 7.851 12.593 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.565 9.384 10.585 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.414 6.746 10.523 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.846 8.283 8.512 1.00 0.00 H new ATOM 0 HH TYR A 72 4.479 5.889 8.418 1.00 0.00 H new ATOM 1202 N LYS A 73 6.013 11.066 15.610 1.00 0.00 N ATOM 1203 CA LYS A 73 6.579 11.684 16.802 1.00 0.00 C ATOM 1204 C LYS A 73 5.756 11.337 18.039 1.00 0.00 C ATOM 1205 O LYS A 73 6.288 11.247 19.146 1.00 0.00 O ATOM 1206 CB LYS A 73 6.647 13.204 16.632 1.00 0.00 C ATOM 1207 CG LYS A 73 7.700 13.658 15.637 1.00 0.00 C ATOM 1208 CD LYS A 73 8.237 15.037 15.983 1.00 0.00 C ATOM 1209 CE LYS A 73 8.737 15.767 14.746 1.00 0.00 C ATOM 1210 NZ LYS A 73 9.324 17.093 15.084 1.00 0.00 N ATOM 0 H LYS A 73 5.664 11.729 14.917 1.00 0.00 H new ATOM 0 HA LYS A 73 7.588 11.294 16.937 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.672 13.569 16.308 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.853 13.661 17.600 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.520 12.941 15.621 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.272 13.674 14.635 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.453 15.624 16.461 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.049 14.942 16.704 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.486 15.156 14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.912 15.903 14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.653 17.559 14.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.602 17.685 15.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.127 16.962 15.732 1.00 0.00 H new ATOM 1224 N LEU A 74 4.457 11.141 17.843 1.00 0.00 N ATOM 1225 CA LEU A 74 3.560 10.801 18.942 1.00 0.00 C ATOM 1226 C LEU A 74 3.720 9.338 19.343 1.00 0.00 C ATOM 1227 O LEU A 74 3.032 8.852 20.239 1.00 0.00 O ATOM 1228 CB LEU A 74 2.109 11.078 18.547 1.00 0.00 C ATOM 1229 CG LEU A 74 1.632 12.522 18.711 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.558 12.850 17.685 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.113 12.755 20.122 1.00 0.00 C ATOM 0 H LEU A 74 4.001 11.212 16.933 1.00 0.00 H new ATOM 0 HA LEU A 74 3.822 11.424 19.798 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.976 10.789 17.505 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.462 10.433 19.142 1.00 0.00 H new ATOM 0 HG LEU A 74 2.480 13.186 18.543 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.231 13.881 17.817 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.963 12.724 16.681 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.291 12.180 17.820 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.778 13.788 20.221 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.278 12.082 20.318 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.911 12.562 20.839 1.00 0.00 H new ATOM 1243 N ASN A 75 4.633 8.643 18.673 1.00 0.00 N ATOM 1244 CA ASN A 75 4.884 7.235 18.960 1.00 0.00 C ATOM 1245 C ASN A 75 3.668 6.383 18.610 1.00 0.00 C ATOM 1246 O ASN A 75 3.329 5.442 19.329 1.00 0.00 O ATOM 1247 CB ASN A 75 5.242 7.050 20.436 1.00 0.00 C ATOM 1248 CG ASN A 75 5.829 5.682 20.722 1.00 0.00 C ATOM 1249 OD1 ASN A 75 5.242 4.882 21.451 1.00 0.00 O ATOM 1250 ND2 ASN A 75 6.995 5.406 20.148 1.00 0.00 N ATOM 0 H ASN A 75 5.211 9.031 17.928 1.00 0.00 H new ATOM 0 HA ASN A 75 5.723 6.909 18.345 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.956 7.818 20.733 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.349 7.193 21.044 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.439 4.501 20.304 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.446 6.099 19.551 1.00 0.00 H new ATOM 1257 N ILE A 76 3.016 6.719 17.502 1.00 0.00 N ATOM 1258 CA ILE A 76 1.839 5.984 17.056 1.00 0.00 C ATOM 1259 C ILE A 76 2.191 5.009 15.937 1.00 0.00 C ATOM 1260 O ILE A 76 1.771 3.852 15.953 1.00 0.00 O ATOM 1261 CB ILE A 76 0.734 6.936 16.564 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.331 7.904 17.678 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.472 6.144 16.081 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.763 8.868 17.274 1.00 0.00 C ATOM 0 H ILE A 76 3.283 7.495 16.897 1.00 0.00 H new ATOM 0 HA ILE A 76 1.470 5.427 17.917 1.00 0.00 H new ATOM 0 HB ILE A 76 1.122 7.516 15.727 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.002 7.331 18.543 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.208 8.472 17.990 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.245 6.831 15.736 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.174 5.492 15.260 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.863 5.540 16.900 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.998 9.524 18.112 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.426 9.467 16.428 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.654 8.309 16.990 1.00 0.00 H new ATOM 1276 N ILE A 77 2.966 5.485 14.968 1.00 0.00 N ATOM 1277 CA ILE A 77 3.377 4.655 13.843 1.00 0.00 C ATOM 1278 C ILE A 77 4.877 4.772 13.592 1.00 0.00 C ATOM 1279 O ILE A 77 5.492 5.789 13.913 1.00 0.00 O ATOM 1280 CB ILE A 77 2.621 5.036 12.556 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.119 4.806 12.734 1.00 0.00 C ATOM 1282 CG2 ILE A 77 3.149 4.236 11.375 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.279 5.428 11.641 1.00 0.00 C ATOM 0 H ILE A 77 3.322 6.441 14.940 1.00 0.00 H new ATOM 0 HA ILE A 77 3.134 3.625 14.106 1.00 0.00 H new ATOM 0 HB ILE A 77 2.786 6.095 12.355 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.925 3.734 12.765 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.809 5.214 13.696 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.605 4.516 10.473 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.210 4.446 11.239 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.011 3.172 11.566 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.775 5.225 11.832 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.444 6.505 11.624 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.562 5.003 10.678 1.00 0.00 H new ATOM 1295 N ARG A 78 5.458 3.726 13.014 1.00 0.00 N ATOM 1296 CA ARG A 78 6.886 3.712 12.719 1.00 0.00 C ATOM 1297 C ARG A 78 7.136 3.341 11.260 1.00 0.00 C ATOM 1298 O ARG A 78 6.677 2.302 10.785 1.00 0.00 O ATOM 1299 CB ARG A 78 7.609 2.726 13.638 1.00 0.00 C ATOM 1300 CG ARG A 78 9.046 3.117 13.941 1.00 0.00 C ATOM 1301 CD ARG A 78 9.806 1.977 14.602 1.00 0.00 C ATOM 1302 NE ARG A 78 9.899 0.806 13.734 1.00 0.00 N ATOM 1303 CZ ARG A 78 10.850 -0.115 13.842 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.785 -0.001 14.775 1.00 0.00 N ATOM 1305 NH2 ARG A 78 10.868 -1.153 13.015 1.00 0.00 N ATOM 0 H ARG A 78 4.962 2.877 12.741 1.00 0.00 H new ATOM 0 HA ARG A 78 7.277 4.714 12.894 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.058 2.645 14.575 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.600 1.739 13.176 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.549 3.404 13.017 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.057 3.990 14.594 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.809 2.314 14.865 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.309 1.701 15.532 1.00 0.00 H new ATOM 0 HE ARG A 78 9.195 0.689 13.005 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.775 0.795 15.412 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.514 -0.710 14.856 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.151 -1.244 12.295 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.599 -1.859 13.099 1.00 0.00 H new ATOM 1319 N LYS A 79 7.866 4.198 10.554 1.00 0.00 N ATOM 1320 CA LYS A 79 8.178 3.962 9.150 1.00 0.00 C ATOM 1321 C LYS A 79 9.427 3.097 9.008 1.00 0.00 C ATOM 1322 O LYS A 79 10.543 3.560 9.241 1.00 0.00 O ATOM 1323 CB LYS A 79 8.381 5.292 8.420 1.00 0.00 C ATOM 1324 CG LYS A 79 8.173 5.199 6.918 1.00 0.00 C ATOM 1325 CD LYS A 79 8.347 6.552 6.247 1.00 0.00 C ATOM 1326 CE LYS A 79 8.566 6.406 4.749 1.00 0.00 C ATOM 1327 NZ LYS A 79 10.005 6.220 4.414 1.00 0.00 N ATOM 0 H LYS A 79 8.253 5.063 10.932 1.00 0.00 H new ATOM 0 HA LYS A 79 7.337 3.433 8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.691 6.030 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.390 5.655 8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.882 4.488 6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.174 4.815 6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.465 7.166 6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.195 7.073 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.994 5.555 4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.186 7.291 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.112 6.124 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.547 7.044 4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.362 5.362 4.880 1.00 0.00 H new ATOM 1341 N GLU A 80 9.230 1.839 8.624 1.00 0.00 N ATOM 1342 CA GLU A 80 10.341 0.911 8.451 1.00 0.00 C ATOM 1343 C GLU A 80 11.446 1.537 7.605 1.00 0.00 C ATOM 1344 O GLU A 80 11.191 2.233 6.622 1.00 0.00 O ATOM 1345 CB GLU A 80 9.855 -0.385 7.798 1.00 0.00 C ATOM 1346 CG GLU A 80 8.886 -1.175 8.661 1.00 0.00 C ATOM 1347 CD GLU A 80 9.588 -2.168 9.567 1.00 0.00 C ATOM 1348 OE1 GLU A 80 10.610 -2.742 9.137 1.00 0.00 O ATOM 1349 OE2 GLU A 80 9.114 -2.371 10.704 1.00 0.00 O ATOM 0 H GLU A 80 8.312 1.440 8.427 1.00 0.00 H new ATOM 0 HA GLU A 80 10.747 0.683 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.372 -0.146 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.717 -1.011 7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.301 -0.485 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.184 -1.708 8.019 1.00 0.00 H new ATOM 1356 N PRO A 81 12.704 1.284 7.995 1.00 0.00 N ATOM 1357 CA PRO A 81 13.874 1.813 7.286 1.00 0.00 C ATOM 1358 C PRO A 81 14.064 1.167 5.918 1.00 0.00 C ATOM 1359 O PRO A 81 14.404 1.839 4.946 1.00 0.00 O ATOM 1360 CB PRO A 81 15.040 1.457 8.212 1.00 0.00 C ATOM 1361 CG PRO A 81 14.564 0.274 8.984 1.00 0.00 C ATOM 1362 CD PRO A 81 13.082 0.462 9.157 1.00 0.00 C ATOM 0 HA PRO A 81 13.781 2.880 7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.940 1.222 7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.288 2.287 8.873 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.780 -0.652 8.452 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.065 0.211 9.950 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.554 -0.492 9.163 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.847 0.962 10.097 1.00 0.00 H new ATOM 1370 N GLY A 82 13.842 -0.142 5.851 1.00 0.00 N ATOM 1371 CA GLY A 82 13.993 -0.857 4.597 1.00 0.00 C ATOM 1372 C GLY A 82 12.999 -0.403 3.547 1.00 0.00 C ATOM 1373 O GLY A 82 13.306 0.459 2.724 1.00 0.00 O ATOM 0 H GLY A 82 13.560 -0.720 6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.006 -0.713 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.867 -1.925 4.774 1.00 0.00 H new ATOM 1377 N GLN A 83 11.804 -0.985 3.575 1.00 0.00 N ATOM 1378 CA GLN A 83 10.762 -0.636 2.616 1.00 0.00 C ATOM 1379 C GLN A 83 10.530 0.871 2.589 1.00 0.00 C ATOM 1380 O GLN A 83 11.096 1.610 3.393 1.00 0.00 O ATOM 1381 CB GLN A 83 9.459 -1.359 2.962 1.00 0.00 C ATOM 1382 CG GLN A 83 9.532 -2.866 2.778 1.00 0.00 C ATOM 1383 CD GLN A 83 9.259 -3.293 1.349 1.00 0.00 C ATOM 1384 OE1 GLN A 83 8.753 -2.514 0.542 1.00 0.00 O ATOM 1385 NE2 GLN A 83 9.594 -4.538 1.029 1.00 0.00 N ATOM 0 H GLN A 83 11.534 -1.700 4.251 1.00 0.00 H new ATOM 0 HA GLN A 83 11.093 -0.952 1.627 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.195 -1.140 3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.657 -0.964 2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.520 -3.217 3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.811 -3.345 3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.011 -5.150 1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.434 -4.882 0.082 1.00 0.00 H new ATOM 1394 N ARG A 84 9.694 1.319 1.658 1.00 0.00 N ATOM 1395 CA ARG A 84 9.389 2.738 1.524 1.00 0.00 C ATOM 1396 C ARG A 84 8.042 3.066 2.162 1.00 0.00 C ATOM 1397 O ARG A 84 7.981 3.656 3.242 1.00 0.00 O ATOM 1398 CB ARG A 84 9.379 3.143 0.049 1.00 0.00 C ATOM 1399 CG ARG A 84 9.122 4.624 -0.174 1.00 0.00 C ATOM 1400 CD ARG A 84 9.375 5.022 -1.620 1.00 0.00 C ATOM 1401 NE ARG A 84 8.946 6.391 -1.894 1.00 0.00 N ATOM 1402 CZ ARG A 84 8.784 6.879 -3.118 1.00 0.00 C ATOM 1403 NH1 ARG A 84 9.015 6.114 -4.176 1.00 0.00 N ATOM 1404 NH2 ARG A 84 8.392 8.135 -3.287 1.00 0.00 N ATOM 0 H ARG A 84 9.216 0.720 0.985 1.00 0.00 H new ATOM 0 HA ARG A 84 10.165 3.301 2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.337 2.878 -0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.614 2.568 -0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.092 4.860 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.765 5.209 0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.438 4.924 -1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.846 4.337 -2.282 1.00 0.00 H new ATOM 0 HE ARG A 84 8.761 7.006 -1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.318 5.148 -4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.890 6.491 -5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.215 8.727 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.268 8.508 -4.228 1.00 0.00 H new ATOM 1418 N LEU A 85 6.964 2.681 1.487 1.00 0.00 N ATOM 1419 CA LEU A 85 5.617 2.935 1.988 1.00 0.00 C ATOM 1420 C LEU A 85 5.205 1.874 3.003 1.00 0.00 C ATOM 1421 O LEU A 85 4.167 1.227 2.854 1.00 0.00 O ATOM 1422 CB LEU A 85 4.619 2.963 0.829 1.00 0.00 C ATOM 1423 CG LEU A 85 4.615 4.234 -0.022 1.00 0.00 C ATOM 1424 CD1 LEU A 85 5.594 4.104 -1.179 1.00 0.00 C ATOM 1425 CD2 LEU A 85 3.214 4.526 -0.538 1.00 0.00 C ATOM 0 H LEU A 85 6.996 2.192 0.592 1.00 0.00 H new ATOM 0 HA LEU A 85 5.617 3.905 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.825 2.114 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.618 2.818 1.234 1.00 0.00 H new ATOM 0 HG LEU A 85 4.931 5.068 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.578 5.017 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.599 3.943 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.308 3.259 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.230 5.434 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.870 3.691 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.537 4.663 0.305 1.00 0.00 H new ATOM 1437 N LEU A 86 6.022 1.701 4.035 1.00 0.00 N ATOM 1438 CA LEU A 86 5.742 0.720 5.078 1.00 0.00 C ATOM 1439 C LEU A 86 5.425 1.408 6.402 1.00 0.00 C ATOM 1440 O LEU A 86 6.131 2.325 6.822 1.00 0.00 O ATOM 1441 CB LEU A 86 6.934 -0.223 5.253 1.00 0.00 C ATOM 1442 CG LEU A 86 6.612 -1.619 5.788 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.740 -1.526 7.031 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.931 -2.457 4.717 1.00 0.00 C ATOM 0 H LEU A 86 6.885 2.227 4.173 1.00 0.00 H new ATOM 0 HA LEU A 86 4.870 0.141 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.431 -0.331 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.648 0.248 5.929 1.00 0.00 H new ATOM 0 HG LEU A 86 7.547 -2.107 6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.521 -2.529 7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.266 -0.964 7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.808 -1.018 6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.709 -3.447 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.003 -1.973 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.591 -2.553 3.855 1.00 0.00 H new ATOM 1456 N PHE A 87 4.359 0.958 7.056 1.00 0.00 N ATOM 1457 CA PHE A 87 3.949 1.529 8.334 1.00 0.00 C ATOM 1458 C PHE A 87 3.696 0.432 9.364 1.00 0.00 C ATOM 1459 O PHE A 87 3.106 -0.603 9.052 1.00 0.00 O ATOM 1460 CB PHE A 87 2.689 2.378 8.156 1.00 0.00 C ATOM 1461 CG PHE A 87 2.786 3.366 7.029 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.864 4.231 6.939 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.799 3.429 6.058 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.955 5.142 5.903 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.885 4.337 5.020 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.965 5.194 4.942 1.00 0.00 C ATOM 0 H PHE A 87 3.764 0.200 6.722 1.00 0.00 H new ATOM 0 HA PHE A 87 4.758 2.163 8.697 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.839 1.719 7.979 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.488 2.915 9.083 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.642 4.193 7.687 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.953 2.760 6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.800 5.812 5.845 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.108 4.376 4.271 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.035 5.904 4.131 1.00 0.00 H new ATOM 1476 N ARG A 88 4.147 0.666 10.592 1.00 0.00 N ATOM 1477 CA ARG A 88 3.971 -0.302 11.668 1.00 0.00 C ATOM 1478 C ARG A 88 3.239 0.326 12.850 1.00 0.00 C ATOM 1479 O ARG A 88 3.718 1.288 13.450 1.00 0.00 O ATOM 1480 CB ARG A 88 5.328 -0.842 12.123 1.00 0.00 C ATOM 1481 CG ARG A 88 5.236 -1.818 13.285 1.00 0.00 C ATOM 1482 CD ARG A 88 5.400 -1.111 14.621 1.00 0.00 C ATOM 1483 NE ARG A 88 6.796 -1.061 15.047 1.00 0.00 N ATOM 1484 CZ ARG A 88 7.491 -2.131 15.415 1.00 0.00 C ATOM 1485 NH1 ARG A 88 6.922 -3.329 15.408 1.00 0.00 N ATOM 1486 NH2 ARG A 88 8.757 -2.005 15.790 1.00 0.00 N ATOM 0 H ARG A 88 4.637 1.517 10.867 1.00 0.00 H new ATOM 0 HA ARG A 88 3.369 -1.126 11.287 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.814 -1.336 11.282 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.964 -0.005 12.412 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.273 -2.328 13.258 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.005 -2.583 13.180 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.008 -0.097 14.545 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.808 -1.625 15.378 1.00 0.00 H new ATOM 0 HE ARG A 88 7.263 -0.154 15.063 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.949 -3.430 15.120 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.458 -4.150 15.691 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.198 -1.085 15.796 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.290 -2.828 16.072 1.00 0.00 H new ATOM 1500 N PHE A 89 2.075 -0.225 13.179 1.00 0.00 N ATOM 1501 CA PHE A 89 1.276 0.282 14.288 1.00 0.00 C ATOM 1502 C PHE A 89 1.914 -0.076 15.627 1.00 0.00 C ATOM 1503 O PHE A 89 1.584 -1.096 16.230 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.145 -0.282 14.220 1.00 0.00 C ATOM 1505 CG PHE A 89 -1.018 0.410 13.213 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -1.100 1.793 13.182 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.757 -0.322 12.297 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.902 2.433 12.256 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.560 0.313 11.369 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.634 1.692 11.349 1.00 0.00 C ATOM 0 H PHE A 89 1.664 -1.022 12.693 1.00 0.00 H new ATOM 0 HA PHE A 89 1.233 1.368 14.205 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.095 -1.343 13.977 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.606 -0.202 15.204 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.531 2.377 13.890 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.705 -1.401 12.309 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.956 3.512 12.242 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.130 -0.269 10.659 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.263 2.190 10.626 1.00 0.00 H new ATOM 1520 N MET A 90 2.830 0.771 16.084 1.00 0.00 N ATOM 1521 CA MET A 90 3.515 0.545 17.351 1.00 0.00 C ATOM 1522 C MET A 90 2.524 0.535 18.510 1.00 0.00 C ATOM 1523 O MET A 90 2.291 -0.501 19.133 1.00 0.00 O ATOM 1524 CB MET A 90 4.576 1.623 17.582 1.00 0.00 C ATOM 1525 CG MET A 90 5.731 1.559 16.595 1.00 0.00 C ATOM 1526 SD MET A 90 7.183 2.462 17.167 1.00 0.00 S ATOM 1527 CE MET A 90 6.529 4.126 17.269 1.00 0.00 C ATOM 0 H MET A 90 3.115 1.620 15.596 1.00 0.00 H new ATOM 0 HA MET A 90 4.002 -0.429 17.303 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.106 2.604 17.516 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.968 1.525 18.594 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.000 0.517 16.424 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.408 1.967 15.637 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.335 4.820 17.507 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.084 4.401 16.313 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.770 4.171 18.050 1.00 0.00 H new ATOM 1537 N LYS A 91 1.942 1.695 18.796 1.00 0.00 N ATOM 1538 CA LYS A 91 0.975 1.820 19.879 1.00 0.00 C ATOM 1539 C LYS A 91 -0.403 1.338 19.438 1.00 0.00 C ATOM 1540 O LYS A 91 -0.673 1.206 18.243 1.00 0.00 O ATOM 1541 CB LYS A 91 0.891 3.274 20.350 1.00 0.00 C ATOM 1542 CG LYS A 91 0.259 3.434 21.722 1.00 0.00 C ATOM 1543 CD LYS A 91 0.233 4.889 22.159 1.00 0.00 C ATOM 1544 CE LYS A 91 0.276 5.018 23.673 1.00 0.00 C ATOM 1545 NZ LYS A 91 1.624 4.698 24.220 1.00 0.00 N ATOM 0 H LYS A 91 2.124 2.563 18.292 1.00 0.00 H new ATOM 0 HA LYS A 91 1.312 1.195 20.706 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.894 3.699 20.370 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.315 3.849 19.625 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.757 3.041 21.703 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.815 2.844 22.451 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.082 5.416 21.724 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.669 5.368 21.778 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.000 6.033 23.959 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.463 4.350 24.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.684 5.020 25.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.779 3.670 24.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.352 5.180 23.654 1.00 0.00 H new ATOM 1559 N THR A 92 -1.274 1.078 20.408 1.00 0.00 N ATOM 1560 CA THR A 92 -2.624 0.611 20.119 1.00 0.00 C ATOM 1561 C THR A 92 -3.506 1.752 19.626 1.00 0.00 C ATOM 1562 O THR A 92 -3.475 2.865 20.151 1.00 0.00 O ATOM 1563 CB THR A 92 -3.275 -0.027 21.360 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.518 -1.168 21.780 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.708 -0.445 21.065 1.00 0.00 C ATOM 0 H THR A 92 -1.068 1.183 21.401 1.00 0.00 H new ATOM 0 HA THR A 92 -2.537 -0.142 19.336 1.00 0.00 H new ATOM 0 HB THR A 92 -3.286 0.715 22.158 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.938 -1.566 22.571 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.147 -0.893 21.956 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.290 0.430 20.774 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.715 -1.172 20.253 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.314 1.472 18.592 1.00 0.00 N ATOM 1574 CA PRO A 93 -5.222 2.462 18.006 1.00 0.00 C ATOM 1575 C PRO A 93 -6.376 2.815 18.939 1.00 0.00 C ATOM 1576 O PRO A 93 -6.709 3.987 19.114 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.746 1.763 16.749 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.620 0.308 17.044 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.404 0.166 17.917 1.00 0.00 C ATOM 0 HA PRO A 93 -4.719 3.408 17.806 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.781 2.038 16.546 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.164 2.041 15.870 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.510 -0.066 17.551 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.510 -0.268 16.125 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.516 -0.649 18.632 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.510 -0.045 17.330 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.981 1.794 19.536 1.00 0.00 N ATOM 1588 CA ASP A 94 -8.097 1.996 20.453 1.00 0.00 C ATOM 1589 C ASP A 94 -7.739 3.018 21.527 1.00 0.00 C ATOM 1590 O ASP A 94 -8.600 3.753 22.009 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.496 0.671 21.105 1.00 0.00 C ATOM 1592 CG ASP A 94 -8.407 -0.497 20.143 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -9.100 -0.464 19.104 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -7.646 -1.445 20.429 1.00 0.00 O ATOM 0 H ASP A 94 -6.717 0.818 19.401 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.942 2.378 19.880 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.850 0.482 21.962 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.515 0.748 21.485 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.463 3.058 21.898 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.992 3.989 22.916 1.00 0.00 C ATOM 1601 C GLU A 95 -6.206 5.433 22.474 1.00 0.00 C ATOM 1602 O GLU A 95 -6.809 6.231 23.193 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.510 3.749 23.213 1.00 0.00 C ATOM 1604 CG GLU A 95 -4.262 2.627 24.208 1.00 0.00 C ATOM 1605 CD GLU A 95 -2.955 2.791 24.958 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -2.802 3.807 25.668 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -2.084 1.905 24.834 1.00 0.00 O ATOM 0 H GLU A 95 -5.737 2.456 21.509 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.569 3.816 23.824 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.994 3.517 22.281 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.072 4.669 23.599 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.085 2.592 24.922 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.257 1.673 23.680 1.00 0.00 H new ATOM 1614 N ILE A 96 -5.707 5.762 21.287 1.00 0.00 N ATOM 1615 CA ILE A 96 -5.844 7.110 20.748 1.00 0.00 C ATOM 1616 C ILE A 96 -7.309 7.462 20.515 1.00 0.00 C ATOM 1617 O ILE A 96 -7.759 8.553 20.865 1.00 0.00 O ATOM 1618 CB ILE A 96 -5.072 7.268 19.425 1.00 0.00 C ATOM 1619 CG1 ILE A 96 -3.582 7.000 19.643 1.00 0.00 C ATOM 1620 CG2 ILE A 96 -5.287 8.660 18.850 1.00 0.00 C ATOM 1621 CD1 ILE A 96 -3.205 5.540 19.517 1.00 0.00 C ATOM 0 H ILE A 96 -5.204 5.114 20.680 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.423 7.791 21.488 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.452 6.538 18.710 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.008 7.579 18.920 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.298 7.356 20.633 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.735 8.757 17.915 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.349 8.816 18.662 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.931 9.406 19.560 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.134 5.425 19.684 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.752 4.958 20.258 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.457 5.184 18.518 1.00 0.00 H new ATOM 1633 N MET A 97 -8.049 6.531 19.922 1.00 0.00 N ATOM 1634 CA MET A 97 -9.465 6.743 19.644 1.00 0.00 C ATOM 1635 C MET A 97 -10.115 7.579 20.742 1.00 0.00 C ATOM 1636 O MET A 97 -10.899 8.486 20.462 1.00 0.00 O ATOM 1637 CB MET A 97 -10.187 5.400 19.514 1.00 0.00 C ATOM 1638 CG MET A 97 -9.794 4.617 18.272 1.00 0.00 C ATOM 1639 SD MET A 97 -10.837 4.999 16.851 1.00 0.00 S ATOM 1640 CE MET A 97 -10.323 3.726 15.701 1.00 0.00 C ATOM 0 H MET A 97 -7.692 5.623 19.625 1.00 0.00 H new ATOM 0 HA MET A 97 -9.548 7.285 18.702 1.00 0.00 H new ATOM 0 HB2 MET A 97 -9.975 4.796 20.396 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.263 5.575 19.498 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.755 4.834 18.024 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.854 3.550 18.486 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.881 3.830 14.770 1.00 0.00 H new ATOM 0 HE2 MET A 97 -9.257 3.828 15.499 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.518 2.745 16.133 1.00 0.00 H new ATOM 1650 N SER A 98 -9.785 7.267 21.991 1.00 0.00 N ATOM 1651 CA SER A 98 -10.340 7.987 23.131 1.00 0.00 C ATOM 1652 C SER A 98 -9.237 8.681 23.925 1.00 0.00 C ATOM 1653 O SER A 98 -8.591 8.071 24.775 1.00 0.00 O ATOM 1654 CB SER A 98 -11.112 7.029 24.039 1.00 0.00 C ATOM 1655 OG SER A 98 -12.107 7.717 24.778 1.00 0.00 O ATOM 0 H SER A 98 -9.136 6.520 22.239 1.00 0.00 H new ATOM 0 HA SER A 98 -11.023 8.747 22.752 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.577 6.248 23.437 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.422 6.536 24.724 1.00 0.00 H new ATOM 0 HG SER A 98 -12.588 7.082 25.349 1.00 0.00 H new ATOM 1661 N GLY A 99 -9.028 9.963 23.639 1.00 0.00 N ATOM 1662 CA GLY A 99 -8.003 10.720 24.334 1.00 0.00 C ATOM 1663 C GLY A 99 -8.524 11.377 25.597 1.00 0.00 C ATOM 1664 O GLY A 99 -9.514 12.108 25.561 1.00 0.00 O ATOM 0 H GLY A 99 -9.550 10.490 22.939 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.175 10.057 24.588 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.606 11.485 23.667 1.00 0.00 H new ATOM 1668 N ARG A 100 -7.856 11.118 26.716 1.00 0.00 N ATOM 1669 CA ARG A 100 -8.260 11.688 27.996 1.00 0.00 C ATOM 1670 C ARG A 100 -7.592 13.041 28.223 1.00 0.00 C ATOM 1671 O ARG A 100 -8.257 14.029 28.539 1.00 0.00 O ATOM 1672 CB ARG A 100 -7.904 10.734 29.138 1.00 0.00 C ATOM 1673 CG ARG A 100 -9.007 9.743 29.469 1.00 0.00 C ATOM 1674 CD ARG A 100 -8.979 9.347 30.938 1.00 0.00 C ATOM 1675 NE ARG A 100 -8.119 8.191 31.176 1.00 0.00 N ATOM 1676 CZ ARG A 100 -7.585 7.904 32.358 1.00 0.00 C ATOM 1677 NH1 ARG A 100 -7.821 8.684 33.403 1.00 0.00 N ATOM 1678 NH2 ARG A 100 -6.813 6.833 32.496 1.00 0.00 N ATOM 0 H ARG A 100 -7.033 10.517 26.763 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.340 11.834 27.976 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.001 10.184 28.873 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.672 11.318 30.029 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.975 10.181 29.228 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.896 8.853 28.849 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.628 10.189 31.534 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.992 9.121 31.272 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.917 7.570 30.392 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.414 9.507 33.301 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.409 8.461 34.309 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.629 6.230 31.694 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.403 6.613 33.404 1.00 0.00 H new ATOM 1692 N THR A 101 -6.273 13.080 28.059 1.00 0.00 N ATOM 1693 CA THR A 101 -5.516 14.311 28.248 1.00 0.00 C ATOM 1694 C THR A 101 -4.932 14.804 26.929 1.00 0.00 C ATOM 1695 O THR A 101 -5.152 15.948 26.531 1.00 0.00 O ATOM 1696 CB THR A 101 -4.372 14.117 29.262 1.00 0.00 C ATOM 1697 OG1 THR A 101 -4.897 13.640 30.506 1.00 0.00 O ATOM 1698 CG2 THR A 101 -3.623 15.421 29.488 1.00 0.00 C ATOM 0 H THR A 101 -5.707 12.273 27.796 1.00 0.00 H new ATOM 0 HA THR A 101 -6.213 15.055 28.635 1.00 0.00 H new ATOM 0 HB THR A 101 -3.676 13.383 28.856 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.164 13.517 31.145 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.820 15.260 30.207 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.201 15.766 28.544 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.311 16.173 29.875 1.00 0.00 H new ATOM 1706 N ASP A 102 -4.187 13.935 26.255 1.00 0.00 N ATOM 1707 CA ASP A 102 -3.573 14.282 24.979 1.00 0.00 C ATOM 1708 C ASP A 102 -4.466 13.865 23.814 1.00 0.00 C ATOM 1709 O ASP A 102 -4.270 12.807 23.217 1.00 0.00 O ATOM 1710 CB ASP A 102 -2.202 13.615 24.850 1.00 0.00 C ATOM 1711 CG ASP A 102 -1.117 14.377 25.586 1.00 0.00 C ATOM 1712 OD1 ASP A 102 -1.121 14.356 26.835 1.00 0.00 O ATOM 1713 OD2 ASP A 102 -0.264 14.994 24.914 1.00 0.00 O ATOM 0 H ASP A 102 -3.994 12.985 26.571 1.00 0.00 H new ATOM 0 HA ASP A 102 -3.447 15.364 24.948 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.257 12.599 25.240 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.936 13.537 23.796 1.00 0.00 H new ATOM 1718 N ARG A 103 -5.447 14.704 23.498 1.00 0.00 N ATOM 1719 CA ARG A 103 -6.372 14.421 22.407 1.00 0.00 C ATOM 1720 C ARG A 103 -5.672 14.541 21.057 1.00 0.00 C ATOM 1721 O ARG A 103 -4.727 15.315 20.902 1.00 0.00 O ATOM 1722 CB ARG A 103 -7.566 15.376 22.462 1.00 0.00 C ATOM 1723 CG ARG A 103 -8.335 15.315 23.772 1.00 0.00 C ATOM 1724 CD ARG A 103 -9.739 15.879 23.620 1.00 0.00 C ATOM 1725 NE ARG A 103 -10.406 16.041 24.909 1.00 0.00 N ATOM 1726 CZ ARG A 103 -11.678 16.401 25.038 1.00 0.00 C ATOM 1727 NH1 ARG A 103 -12.417 16.635 23.962 1.00 0.00 N ATOM 1728 NH2 ARG A 103 -12.214 16.527 26.245 1.00 0.00 N ATOM 0 H ARG A 103 -5.622 15.585 23.982 1.00 0.00 H new ATOM 0 HA ARG A 103 -6.729 13.398 22.522 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.213 16.395 22.305 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.244 15.144 21.641 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -8.392 14.282 24.114 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -7.798 15.875 24.537 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -9.690 16.843 23.114 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -10.329 15.216 22.987 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.866 15.868 25.757 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.009 16.539 23.032 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -13.394 16.911 24.064 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.649 16.347 27.075 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -13.191 16.804 26.343 1.00 0.00 H new ATOM 1742 N LEU A 104 -6.143 13.771 20.082 1.00 0.00 N ATOM 1743 CA LEU A 104 -5.562 13.791 18.744 1.00 0.00 C ATOM 1744 C LEU A 104 -6.584 14.262 17.714 1.00 0.00 C ATOM 1745 O LEU A 104 -6.724 13.665 16.647 1.00 0.00 O ATOM 1746 CB LEU A 104 -5.048 12.399 18.369 1.00 0.00 C ATOM 1747 CG LEU A 104 -4.173 12.322 17.118 1.00 0.00 C ATOM 1748 CD1 LEU A 104 -2.760 12.791 17.425 1.00 0.00 C ATOM 1749 CD2 LEU A 104 -4.158 10.904 16.564 1.00 0.00 C ATOM 0 H LEU A 104 -6.925 13.126 20.193 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.727 14.492 18.747 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.479 12.005 19.211 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.906 11.742 18.229 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.596 12.982 16.361 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.152 12.729 16.523 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.787 13.823 17.774 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.326 12.157 18.199 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.530 10.868 15.674 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.760 10.224 17.317 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.173 10.604 16.305 1.00 0.00 H new ATOM 1761 N GLU A 105 -7.293 15.338 18.041 1.00 0.00 N ATOM 1762 CA GLU A 105 -8.300 15.890 17.142 1.00 0.00 C ATOM 1763 C GLU A 105 -7.749 17.091 16.378 1.00 0.00 C ATOM 1764 O GLU A 105 -7.996 17.246 15.182 1.00 0.00 O ATOM 1765 CB GLU A 105 -9.546 16.301 17.929 1.00 0.00 C ATOM 1766 CG GLU A 105 -10.136 15.178 18.766 1.00 0.00 C ATOM 1767 CD GLU A 105 -11.154 14.354 18.002 1.00 0.00 C ATOM 1768 OE1 GLU A 105 -12.007 14.955 17.315 1.00 0.00 O ATOM 1769 OE2 GLU A 105 -11.099 13.110 18.091 1.00 0.00 O ATOM 0 H GLU A 105 -7.189 15.844 18.920 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.571 15.117 16.423 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.293 17.136 18.583 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.303 16.660 17.232 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.333 14.527 19.112 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.608 15.600 19.653 1.00 0.00 H new ATOM 1776 N HIS A 106 -7.001 17.938 17.079 1.00 0.00 N ATOM 1777 CA HIS A 106 -6.414 19.125 16.467 1.00 0.00 C ATOM 1778 C HIS A 106 -5.643 18.760 15.203 1.00 0.00 C ATOM 1779 O HIS A 106 -5.663 19.497 14.216 1.00 0.00 O ATOM 1780 CB HIS A 106 -5.488 19.830 17.458 1.00 0.00 C ATOM 1781 CG HIS A 106 -5.332 21.296 17.194 1.00 0.00 C ATOM 1782 ND1 HIS A 106 -5.177 22.229 18.197 1.00 0.00 N ATOM 1783 CD2 HIS A 106 -5.306 21.988 16.031 1.00 0.00 C ATOM 1784 CE1 HIS A 106 -5.064 23.432 17.663 1.00 0.00 C ATOM 1785 NE2 HIS A 106 -5.139 23.313 16.350 1.00 0.00 N ATOM 0 H HIS A 106 -6.787 17.824 18.070 1.00 0.00 H new ATOM 0 HA HIS A 106 -7.224 19.801 16.194 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -5.876 19.690 18.467 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -4.507 19.357 17.425 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.399 21.575 15.037 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -4.933 24.355 18.207 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -5.082 24.081 15.681 1.00 0.00 H new ATOM 1794 N LEU A 107 -4.963 17.619 15.239 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.184 17.156 14.096 1.00 0.00 C ATOM 1796 C LEU A 107 -5.054 16.355 13.132 1.00 0.00 C ATOM 1797 O LEU A 107 -4.572 15.446 12.456 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.007 16.301 14.569 1.00 0.00 C ATOM 1799 CG LEU A 107 -1.925 17.031 15.365 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -1.093 16.042 16.167 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -1.038 17.848 14.436 1.00 0.00 C ATOM 0 H LEU A 107 -4.935 16.998 16.047 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.802 18.031 13.570 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.397 15.490 15.184 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.542 15.844 13.696 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.412 17.713 16.062 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.328 16.580 16.727 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.738 15.502 16.860 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -0.616 15.334 15.489 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.274 18.361 15.020 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.560 17.186 13.714 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.645 18.583 13.907 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.336 16.700 13.074 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.272 16.013 12.192 1.00 0.00 C ATOM 1815 C GLU A 108 -7.484 16.802 10.903 1.00 0.00 C ATOM 1816 O GLU A 108 -7.564 16.227 9.817 1.00 0.00 O ATOM 1817 CB GLU A 108 -8.613 15.802 12.899 1.00 0.00 C ATOM 1818 CG GLU A 108 -9.640 15.071 12.051 1.00 0.00 C ATOM 1819 CD GLU A 108 -11.034 15.129 12.644 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -11.307 16.065 13.425 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -11.852 14.240 12.328 1.00 0.00 O ATOM 0 H GLU A 108 -6.750 17.451 13.627 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.846 15.042 11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -8.445 15.239 13.817 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.018 16.772 13.189 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.656 15.506 11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.339 14.029 11.941 1.00 0.00 H new ATOM 1828 N SER A 109 -7.574 18.122 11.032 1.00 0.00 N ATOM 1829 CA SER A 109 -7.781 18.990 9.879 1.00 0.00 C ATOM 1830 C SER A 109 -6.593 19.929 9.686 1.00 0.00 C ATOM 1831 O SER A 109 -6.085 20.082 8.576 1.00 0.00 O ATOM 1832 CB SER A 109 -9.065 19.803 10.050 1.00 0.00 C ATOM 1833 OG SER A 109 -8.967 20.686 11.153 1.00 0.00 O ATOM 0 H SER A 109 -7.507 18.613 11.923 1.00 0.00 H new ATOM 0 HA SER A 109 -7.873 18.361 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.262 20.372 9.141 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.909 19.129 10.194 1.00 0.00 H new ATOM 0 HG SER A 109 -9.800 21.195 11.239 1.00 0.00 H new ATOM 1839 N GLN A 110 -6.158 20.554 10.775 1.00 0.00 N ATOM 1840 CA GLN A 110 -5.032 21.478 10.726 1.00 0.00 C ATOM 1841 C GLN A 110 -3.906 20.919 9.863 1.00 0.00 C ATOM 1842 O GLN A 110 -3.272 21.651 9.104 1.00 0.00 O ATOM 1843 CB GLN A 110 -4.515 21.761 12.138 1.00 0.00 C ATOM 1844 CG GLN A 110 -3.208 22.536 12.164 1.00 0.00 C ATOM 1845 CD GLN A 110 -2.418 22.307 13.437 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -2.762 21.446 14.248 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -1.352 23.077 13.621 1.00 0.00 N ATOM 0 H GLN A 110 -6.568 20.437 11.702 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.379 22.410 10.280 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.271 22.322 12.687 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.377 20.815 12.662 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.601 22.245 11.307 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.419 23.600 12.059 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.103 23.778 12.923 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.782 22.967 14.460 1.00 0.00 H new ATOM 1856 N GLU A 111 -3.663 19.617 9.985 1.00 0.00 N ATOM 1857 CA GLU A 111 -2.613 18.961 9.216 1.00 0.00 C ATOM 1858 C GLU A 111 -2.901 19.045 7.720 1.00 0.00 C ATOM 1859 O GLU A 111 -2.013 19.350 6.921 1.00 0.00 O ATOM 1860 CB GLU A 111 -2.478 17.497 9.639 1.00 0.00 C ATOM 1861 CG GLU A 111 -1.566 16.683 8.737 1.00 0.00 C ATOM 1862 CD GLU A 111 -0.107 16.784 9.139 1.00 0.00 C ATOM 1863 OE1 GLU A 111 0.320 16.007 10.018 1.00 0.00 O ATOM 1864 OE2 GLU A 111 0.606 17.640 8.575 1.00 0.00 O ATOM 0 H GLU A 111 -4.179 18.997 10.609 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.675 19.477 9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.096 17.456 10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.467 17.038 9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.875 15.638 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.680 17.024 7.708 1.00 0.00 H new ATOM 1871 N LEU A 112 -4.146 18.772 7.347 1.00 0.00 N ATOM 1872 CA LEU A 112 -4.553 18.816 5.946 1.00 0.00 C ATOM 1873 C LEU A 112 -4.370 20.216 5.370 1.00 0.00 C ATOM 1874 O LEU A 112 -4.241 21.191 6.110 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.012 18.380 5.805 1.00 0.00 C ATOM 1876 CG LEU A 112 -6.302 16.905 6.086 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -7.775 16.702 6.406 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -5.888 16.044 4.901 1.00 0.00 C ATOM 0 H LEU A 112 -4.892 18.518 7.995 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.919 18.128 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.618 18.984 6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.342 18.608 4.791 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.717 16.599 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.962 15.646 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.040 17.288 7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.379 17.026 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.102 14.998 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.445 16.351 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.820 16.166 4.718 1.00 0.00 H new ATOM 1890 N SER A 113 -4.363 20.308 4.044 1.00 0.00 N ATOM 1891 CA SER A 113 -4.195 21.589 3.368 1.00 0.00 C ATOM 1892 C SER A 113 -5.492 22.020 2.689 1.00 0.00 C ATOM 1893 O SER A 113 -6.432 21.235 2.568 1.00 0.00 O ATOM 1894 CB SER A 113 -3.071 21.501 2.334 1.00 0.00 C ATOM 1895 OG SER A 113 -1.875 21.017 2.921 1.00 0.00 O ATOM 0 H SER A 113 -4.472 19.511 3.417 1.00 0.00 H new ATOM 0 HA SER A 113 -3.932 22.335 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.373 20.842 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.894 22.485 1.900 1.00 0.00 H new ATOM 0 HG SER A 113 -1.172 20.968 2.239 1.00 0.00 H new ATOM 1901 N GLY A 114 -5.535 23.273 2.248 1.00 0.00 N ATOM 1902 CA GLY A 114 -6.720 23.788 1.588 1.00 0.00 C ATOM 1903 C GLY A 114 -6.814 25.299 1.660 1.00 0.00 C ATOM 1904 O GLY A 114 -7.154 25.872 2.695 1.00 0.00 O ATOM 0 H GLY A 114 -4.770 23.941 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.714 23.477 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.607 23.350 2.046 1.00 0.00 H new ATOM 1908 N PRO A 115 -6.507 25.969 0.539 1.00 0.00 N ATOM 1909 CA PRO A 115 -6.550 27.432 0.454 1.00 0.00 C ATOM 1910 C PRO A 115 -7.975 27.973 0.504 1.00 0.00 C ATOM 1911 O PRO A 115 -8.187 29.176 0.660 1.00 0.00 O ATOM 1912 CB PRO A 115 -5.913 27.727 -0.906 1.00 0.00 C ATOM 1913 CG PRO A 115 -6.143 26.492 -1.708 1.00 0.00 C ATOM 1914 CD PRO A 115 -6.094 25.350 -0.732 1.00 0.00 C ATOM 0 HA PRO A 115 -6.037 27.905 1.291 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -6.371 28.596 -1.378 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -4.849 27.942 -0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -7.107 26.530 -2.216 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -5.381 26.380 -2.479 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -6.767 24.543 -1.023 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -5.094 24.922 -0.664 1.00 0.00 H new ATOM 1922 N SER A 116 -8.949 27.078 0.372 1.00 0.00 N ATOM 1923 CA SER A 116 -10.353 27.468 0.399 1.00 0.00 C ATOM 1924 C SER A 116 -10.997 27.088 1.729 1.00 0.00 C ATOM 1925 O SER A 116 -10.746 26.010 2.268 1.00 0.00 O ATOM 1926 CB SER A 116 -11.110 26.805 -0.754 1.00 0.00 C ATOM 1927 OG SER A 116 -10.507 27.107 -2.000 1.00 0.00 O ATOM 0 H SER A 116 -8.791 26.078 0.245 1.00 0.00 H new ATOM 0 HA SER A 116 -10.406 28.551 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 116 -11.129 25.725 -0.608 1.00 0.00 H new ATOM 0 HB3 SER A 116 -12.146 27.144 -0.756 1.00 0.00 H new ATOM 0 HG SER A 116 -11.008 26.670 -2.720 1.00 0.00 H new ATOM 1933 N SER A 117 -11.828 27.983 2.254 1.00 0.00 N ATOM 1934 CA SER A 117 -12.505 27.746 3.523 1.00 0.00 C ATOM 1935 C SER A 117 -14.014 27.912 3.373 1.00 0.00 C ATOM 1936 O SER A 117 -14.790 27.058 3.801 1.00 0.00 O ATOM 1937 CB SER A 117 -11.979 28.704 4.594 1.00 0.00 C ATOM 1938 OG SER A 117 -12.625 28.485 5.836 1.00 0.00 O ATOM 0 H SER A 117 -12.048 28.879 1.820 1.00 0.00 H new ATOM 0 HA SER A 117 -12.298 26.721 3.830 1.00 0.00 H new ATOM 0 HB2 SER A 117 -10.904 28.569 4.711 1.00 0.00 H new ATOM 0 HB3 SER A 117 -12.138 29.734 4.275 1.00 0.00 H new ATOM 0 HG SER A 117 -12.270 29.108 6.504 1.00 0.00 H new ATOM 1944 N GLY A 118 -14.424 29.020 2.762 1.00 0.00 N ATOM 1945 CA GLY A 118 -15.838 29.279 2.566 1.00 0.00 C ATOM 1946 C GLY A 118 -16.484 28.287 1.620 1.00 0.00 C ATOM 1947 O GLY A 118 -17.121 28.677 0.642 1.00 0.00 O ATOM 0 H GLY A 118 -13.802 29.742 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -16.348 29.243 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -15.968 30.288 2.174 1.00 0.00 H new TER 1951 GLY A 118