USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 388 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 15 ASN : amide:sc= -0.176 X(o=-0.12,f=-0.32) USER MOD Set 1.2: A 26 TYR OH : rot 26:sc= 0.0475 USER MOD Set 1.3: A 52 ASN : amide:sc= 0.00557 K(o=-0.12,f=-2!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.12! K(o=-2.1!,f=0.4) USER MOD Single : A 21 ASN : amide:sc= -3.69! K(o=-3.7!,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.82! USER MOD Single : A 25 CYS SG : rot 18:sc= 0.323 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 33 LYS NZ :NH3+ -141:sc= -4.24! (180deg=-9.79!) USER MOD Single : A 46 THR OG1 : rot 95:sc= 0.432 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 57 SER OG : rot -71:sc= 1.07 USER MOD Single : A 59 HIS : no HD1:sc= -0.756 K(o=-0.76,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 5.363 1.681 11.497 1.00 0.00 N ATOM 2 CA ASP A 11 4.944 3.107 11.421 1.00 0.00 C ATOM 3 C ASP A 11 4.384 3.401 10.028 1.00 0.00 C ATOM 4 O ASP A 11 3.787 4.432 9.793 1.00 0.00 O ATOM 5 CB ASP A 11 6.154 4.006 11.690 1.00 0.00 C ATOM 6 CG ASP A 11 6.788 3.622 13.030 1.00 0.00 C ATOM 7 OD1 ASP A 11 6.654 2.474 13.419 1.00 0.00 O ATOM 8 OD2 ASP A 11 7.396 4.484 13.643 1.00 0.00 O ATOM 0 HA ASP A 11 4.174 3.302 12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.884 3.901 10.887 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.847 5.052 11.707 1.00 0.00 H new ATOM 13 N LEU A 12 4.572 2.500 9.101 1.00 0.00 N ATOM 14 CA LEU A 12 4.052 2.719 7.724 1.00 0.00 C ATOM 15 C LEU A 12 2.571 2.306 7.679 1.00 0.00 C ATOM 16 O LEU A 12 2.153 1.440 8.420 1.00 0.00 O ATOM 17 CB LEU A 12 4.865 1.854 6.756 1.00 0.00 C ATOM 18 CG LEU A 12 6.347 2.249 6.822 1.00 0.00 C ATOM 19 CD1 LEU A 12 7.154 1.333 5.896 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.525 3.717 6.384 1.00 0.00 C ATOM 0 H LEU A 12 5.066 1.619 9.241 1.00 0.00 H new ATOM 0 HA LEU A 12 4.140 3.768 7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.749 0.800 7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.491 1.980 5.740 1.00 0.00 H new ATOM 0 HG LEU A 12 6.703 2.143 7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.208 1.609 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.037 0.298 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.792 1.440 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.580 3.986 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.169 3.837 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.952 4.366 7.046 1.00 0.00 H new ATOM 32 N PRO A 13 1.777 2.920 6.825 1.00 0.00 N ATOM 33 CA PRO A 13 0.327 2.601 6.707 1.00 0.00 C ATOM 34 C PRO A 13 0.035 1.108 6.926 1.00 0.00 C ATOM 35 O PRO A 13 0.891 0.272 6.716 1.00 0.00 O ATOM 36 CB PRO A 13 0.006 3.017 5.271 1.00 0.00 C ATOM 37 CG PRO A 13 0.910 4.183 5.003 1.00 0.00 C ATOM 38 CD PRO A 13 2.164 3.982 5.876 1.00 0.00 C ATOM 0 HA PRO A 13 -0.275 3.110 7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.192 2.202 4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.042 3.296 5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.177 4.231 3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.414 5.122 5.249 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.024 3.686 5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.439 4.900 6.396 1.00 0.00 H new ATOM 46 N PRO A 14 -1.161 0.771 7.344 1.00 0.00 N ATOM 47 CA PRO A 14 -1.551 -0.649 7.592 1.00 0.00 C ATOM 48 C PRO A 14 -1.616 -1.456 6.290 1.00 0.00 C ATOM 49 O PRO A 14 -1.866 -0.919 5.231 1.00 0.00 O ATOM 50 CB PRO A 14 -2.938 -0.540 8.248 1.00 0.00 C ATOM 51 CG PRO A 14 -3.478 0.767 7.772 1.00 0.00 C ATOM 52 CD PRO A 14 -2.273 1.694 7.626 1.00 0.00 C ATOM 0 HA PRO A 14 -0.827 -1.174 8.216 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.583 -1.367 7.951 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.865 -0.567 9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.998 0.651 6.821 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.199 1.173 8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.414 2.411 6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.097 2.269 8.535 1.00 0.00 H new ATOM 60 N ASN A 15 -1.385 -2.738 6.367 1.00 0.00 N ATOM 61 CA ASN A 15 -1.428 -3.590 5.143 1.00 0.00 C ATOM 62 C ASN A 15 -0.343 -3.146 4.157 1.00 0.00 C ATOM 63 O ASN A 15 -0.149 -3.761 3.128 1.00 0.00 O ATOM 64 CB ASN A 15 -2.803 -3.479 4.478 1.00 0.00 C ATOM 65 CG ASN A 15 -3.892 -3.510 5.551 1.00 0.00 C ATOM 66 OD1 ASN A 15 -3.840 -4.313 6.461 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.880 -2.661 5.486 1.00 0.00 N ATOM 0 H ASN A 15 -1.167 -3.236 7.230 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.249 -4.627 5.429 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.868 -2.554 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.946 -4.300 3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.609 -2.671 6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.924 -1.987 4.722 1.00 0.00 H new ATOM 74 N LEU A 16 0.370 -2.087 4.460 1.00 0.00 N ATOM 75 CA LEU A 16 1.449 -1.615 3.531 1.00 0.00 C ATOM 76 C LEU A 16 2.804 -2.091 4.051 1.00 0.00 C ATOM 77 O LEU A 16 2.977 -2.328 5.231 1.00 0.00 O ATOM 78 CB LEU A 16 1.430 -0.081 3.449 1.00 0.00 C ATOM 79 CG LEU A 16 2.502 0.419 2.437 1.00 0.00 C ATOM 80 CD1 LEU A 16 1.943 1.575 1.596 1.00 0.00 C ATOM 81 CD2 LEU A 16 3.755 0.908 3.185 1.00 0.00 C ATOM 0 H LEU A 16 0.253 -1.530 5.307 1.00 0.00 H new ATOM 0 HA LEU A 16 1.278 -2.024 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.442 0.261 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.623 0.345 4.434 1.00 0.00 H new ATOM 0 HG LEU A 16 2.767 -0.413 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.704 1.914 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.066 1.234 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.662 2.399 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.496 1.255 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.485 1.728 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.173 0.088 3.770 1.00 0.00 H new ATOM 93 N TYR A 17 3.765 -2.254 3.175 1.00 0.00 N ATOM 94 CA TYR A 17 5.111 -2.739 3.608 1.00 0.00 C ATOM 95 C TYR A 17 6.215 -1.962 2.899 1.00 0.00 C ATOM 96 O TYR A 17 5.979 -0.965 2.242 1.00 0.00 O ATOM 97 CB TYR A 17 5.247 -4.213 3.245 1.00 0.00 C ATOM 98 CG TYR A 17 4.157 -4.990 3.929 1.00 0.00 C ATOM 99 CD1 TYR A 17 2.880 -5.056 3.360 1.00 0.00 C ATOM 100 CD2 TYR A 17 4.423 -5.640 5.136 1.00 0.00 C ATOM 101 CE1 TYR A 17 1.868 -5.778 3.999 1.00 0.00 C ATOM 102 CE2 TYR A 17 3.412 -6.362 5.779 1.00 0.00 C ATOM 103 CZ TYR A 17 2.132 -6.432 5.209 1.00 0.00 C ATOM 104 OH TYR A 17 1.135 -7.145 5.842 1.00 0.00 O ATOM 0 H TYR A 17 3.674 -2.071 2.176 1.00 0.00 H new ATOM 0 HA TYR A 17 5.206 -2.595 4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.180 -4.342 2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.224 -4.587 3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.677 -4.550 2.428 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.409 -5.585 5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.883 -5.832 3.560 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.617 -6.865 6.713 1.00 0.00 H new ATOM 0 HH TYR A 17 1.487 -7.537 6.668 1.00 0.00 H new ATOM 114 N ILE A 18 7.426 -2.435 3.031 1.00 0.00 N ATOM 115 CA ILE A 18 8.594 -1.767 2.377 1.00 0.00 C ATOM 116 C ILE A 18 9.477 -2.858 1.747 1.00 0.00 C ATOM 117 O ILE A 18 9.714 -3.892 2.339 1.00 0.00 O ATOM 118 CB ILE A 18 9.366 -0.946 3.462 1.00 0.00 C ATOM 119 CG1 ILE A 18 9.402 0.550 3.082 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.807 -1.457 3.669 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.333 0.780 1.884 1.00 0.00 C ATOM 0 H ILE A 18 7.660 -3.268 3.572 1.00 0.00 H new ATOM 0 HA ILE A 18 8.282 -1.079 1.591 1.00 0.00 H new ATOM 0 HB ILE A 18 8.826 -1.077 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.396 0.894 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.743 1.139 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.301 -0.855 4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.781 -2.498 3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.359 -1.379 2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.345 1.840 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.342 0.456 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.974 0.207 1.029 1.00 0.00 H new ATOM 133 N ARG A 19 9.965 -2.634 0.555 1.00 0.00 N ATOM 134 CA ARG A 19 10.832 -3.656 -0.105 1.00 0.00 C ATOM 135 C ARG A 19 12.292 -3.398 0.274 1.00 0.00 C ATOM 136 O ARG A 19 12.682 -2.280 0.552 1.00 0.00 O ATOM 137 CB ARG A 19 10.671 -3.555 -1.625 1.00 0.00 C ATOM 138 CG ARG A 19 11.404 -4.719 -2.296 1.00 0.00 C ATOM 139 CD ARG A 19 11.006 -4.792 -3.771 1.00 0.00 C ATOM 140 NE ARG A 19 11.399 -3.528 -4.455 1.00 0.00 N ATOM 141 CZ ARG A 19 11.424 -3.470 -5.759 1.00 0.00 C ATOM 142 NH1 ARG A 19 11.108 -4.523 -6.463 1.00 0.00 N ATOM 143 NH2 ARG A 19 11.766 -2.362 -6.357 1.00 0.00 N ATOM 0 H ARG A 19 9.801 -1.788 0.010 1.00 0.00 H new ATOM 0 HA ARG A 19 10.540 -4.653 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.614 -3.575 -1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.071 -2.606 -1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.482 -4.584 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.157 -5.655 -1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.493 -5.643 -4.248 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.931 -4.948 -3.861 1.00 0.00 H new ATOM 0 HE ARG A 19 11.649 -2.707 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.842 -5.389 -5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.127 -4.480 -7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.014 -1.540 -5.806 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.785 -2.317 -7.376 1.00 0.00 H new ATOM 157 N ASN A 20 13.103 -4.421 0.299 1.00 0.00 N ATOM 158 CA ASN A 20 14.533 -4.227 0.672 1.00 0.00 C ATOM 159 C ASN A 20 15.207 -3.294 -0.338 1.00 0.00 C ATOM 160 O ASN A 20 16.324 -2.859 -0.142 1.00 0.00 O ATOM 161 CB ASN A 20 15.251 -5.579 0.682 1.00 0.00 C ATOM 162 CG ASN A 20 14.921 -6.348 -0.599 1.00 0.00 C ATOM 163 OD1 ASN A 20 15.711 -6.383 -1.521 1.00 0.00 O ATOM 164 ND2 ASN A 20 13.778 -6.971 -0.695 1.00 0.00 N ATOM 0 H ASN A 20 12.838 -5.381 0.078 1.00 0.00 H new ATOM 0 HA ASN A 20 14.588 -3.783 1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.328 -5.429 0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 20 14.945 -6.157 1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.548 -7.487 -1.544 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.115 -6.942 0.079 1.00 0.00 H new ATOM 171 N ASN A 21 14.536 -2.981 -1.416 1.00 0.00 N ATOM 172 CA ASN A 21 15.134 -2.076 -2.438 1.00 0.00 C ATOM 173 C ASN A 21 14.753 -0.628 -2.118 1.00 0.00 C ATOM 174 O ASN A 21 15.150 0.293 -2.803 1.00 0.00 O ATOM 175 CB ASN A 21 14.589 -2.450 -3.816 1.00 0.00 C ATOM 176 CG ASN A 21 15.041 -3.866 -4.184 1.00 0.00 C ATOM 177 OD1 ASN A 21 16.221 -4.126 -4.314 1.00 0.00 O ATOM 178 ND2 ASN A 21 14.144 -4.796 -4.360 1.00 0.00 N ATOM 0 H ASN A 21 13.597 -3.315 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 21 16.219 -2.177 -2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.500 -2.394 -3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.943 -1.739 -4.563 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.433 -5.743 -4.607 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.154 -4.577 -4.251 1.00 0.00 H new ATOM 185 N GLY A 22 13.984 -0.423 -1.082 1.00 0.00 N ATOM 186 CA GLY A 22 13.573 0.965 -0.713 1.00 0.00 C ATOM 187 C GLY A 22 12.283 1.331 -1.452 1.00 0.00 C ATOM 188 O GLY A 22 11.788 2.436 -1.346 1.00 0.00 O ATOM 0 H GLY A 22 13.622 -1.157 -0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.420 1.036 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.364 1.670 -0.970 1.00 0.00 H new ATOM 192 N TYR A 23 11.732 0.411 -2.199 1.00 0.00 N ATOM 193 CA TYR A 23 10.470 0.702 -2.944 1.00 0.00 C ATOM 194 C TYR A 23 9.271 0.393 -2.040 1.00 0.00 C ATOM 195 O TYR A 23 9.263 -0.580 -1.313 1.00 0.00 O ATOM 196 CB TYR A 23 10.419 -0.176 -4.217 1.00 0.00 C ATOM 197 CG TYR A 23 10.948 0.595 -5.409 1.00 0.00 C ATOM 198 CD1 TYR A 23 12.320 0.614 -5.683 1.00 0.00 C ATOM 199 CD2 TYR A 23 10.059 1.289 -6.237 1.00 0.00 C ATOM 200 CE1 TYR A 23 12.804 1.329 -6.788 1.00 0.00 C ATOM 201 CE2 TYR A 23 10.541 2.003 -7.341 1.00 0.00 C ATOM 202 CZ TYR A 23 11.914 2.023 -7.618 1.00 0.00 C ATOM 203 OH TYR A 23 12.390 2.725 -8.706 1.00 0.00 O ATOM 0 H TYR A 23 12.101 -0.531 -2.326 1.00 0.00 H new ATOM 0 HA TYR A 23 10.438 1.752 -3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.011 -1.079 -4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.394 -0.494 -4.407 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.006 0.078 -5.044 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.000 1.274 -6.025 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.863 1.345 -6.999 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.854 2.539 -7.979 1.00 0.00 H new ATOM 0 HH TYR A 23 11.641 3.148 -9.176 1.00 0.00 H new ATOM 213 N TYR A 24 8.257 1.216 -2.084 1.00 0.00 N ATOM 214 CA TYR A 24 7.058 0.972 -1.232 1.00 0.00 C ATOM 215 C TYR A 24 6.124 0.000 -1.951 1.00 0.00 C ATOM 216 O TYR A 24 6.088 -0.054 -3.164 1.00 0.00 O ATOM 217 CB TYR A 24 6.333 2.296 -0.983 1.00 0.00 C ATOM 218 CG TYR A 24 7.118 3.113 0.016 1.00 0.00 C ATOM 219 CD1 TYR A 24 7.148 2.726 1.361 1.00 0.00 C ATOM 220 CD2 TYR A 24 7.821 4.251 -0.400 1.00 0.00 C ATOM 221 CE1 TYR A 24 7.881 3.475 2.289 1.00 0.00 C ATOM 222 CE2 TYR A 24 8.554 4.999 0.527 1.00 0.00 C ATOM 223 CZ TYR A 24 8.584 4.611 1.872 1.00 0.00 C ATOM 224 OH TYR A 24 9.308 5.347 2.786 1.00 0.00 O ATOM 0 H TYR A 24 8.208 2.047 -2.674 1.00 0.00 H new ATOM 0 HA TYR A 24 7.363 0.545 -0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.226 2.847 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.327 2.108 -0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.605 1.849 1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.797 4.551 -1.437 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.904 3.176 3.327 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.097 5.876 0.205 1.00 0.00 H new ATOM 0 HH TYR A 24 9.920 5.947 2.311 1.00 0.00 H new ATOM 234 N CYS A 25 5.369 -0.775 -1.215 1.00 0.00 N ATOM 235 CA CYS A 25 4.442 -1.749 -1.868 1.00 0.00 C ATOM 236 C CYS A 25 3.218 -1.986 -0.979 1.00 0.00 C ATOM 237 O CYS A 25 3.325 -2.109 0.225 1.00 0.00 O ATOM 238 CB CYS A 25 5.176 -3.074 -2.087 1.00 0.00 C ATOM 239 SG CYS A 25 5.396 -3.917 -0.501 1.00 0.00 S ATOM 0 H CYS A 25 5.354 -0.776 -0.195 1.00 0.00 H new ATOM 0 HA CYS A 25 4.113 -1.345 -2.825 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.609 -3.706 -2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.145 -2.892 -2.551 1.00 0.00 H new ATOM 0 HG CYS A 25 4.570 -3.421 0.372 1.00 0.00 H new ATOM 245 N TYR A 26 2.053 -2.060 -1.573 1.00 0.00 N ATOM 246 CA TYR A 26 0.804 -2.300 -0.782 1.00 0.00 C ATOM 247 C TYR A 26 0.395 -3.767 -0.940 1.00 0.00 C ATOM 248 O TYR A 26 0.667 -4.381 -1.952 1.00 0.00 O ATOM 249 CB TYR A 26 -0.313 -1.402 -1.320 1.00 0.00 C ATOM 250 CG TYR A 26 -1.530 -1.508 -0.431 1.00 0.00 C ATOM 251 CD1 TYR A 26 -1.609 -0.748 0.743 1.00 0.00 C ATOM 252 CD2 TYR A 26 -2.580 -2.364 -0.783 1.00 0.00 C ATOM 253 CE1 TYR A 26 -2.740 -0.844 1.564 1.00 0.00 C ATOM 254 CE2 TYR A 26 -3.710 -2.460 0.038 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.790 -1.700 1.211 1.00 0.00 C ATOM 256 OH TYR A 26 -4.905 -1.797 2.019 1.00 0.00 O ATOM 0 H TYR A 26 1.912 -1.964 -2.579 1.00 0.00 H new ATOM 0 HA TYR A 26 0.978 -2.074 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.028 -0.368 -1.362 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.569 -1.695 -2.338 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.798 -0.088 1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.519 -2.950 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.802 -0.258 2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.520 -3.121 -0.234 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.011 -0.968 2.531 1.00 0.00 H new ATOM 266 N ARG A 27 -0.255 -4.335 0.051 1.00 0.00 N ATOM 267 CA ARG A 27 -0.685 -5.771 -0.042 1.00 0.00 C ATOM 268 C ARG A 27 -2.181 -5.860 0.277 1.00 0.00 C ATOM 269 O ARG A 27 -2.599 -5.621 1.392 1.00 0.00 O ATOM 270 CB ARG A 27 0.118 -6.619 0.976 1.00 0.00 C ATOM 271 CG ARG A 27 0.442 -8.022 0.398 1.00 0.00 C ATOM 272 CD ARG A 27 0.495 -9.087 1.514 1.00 0.00 C ATOM 273 NE ARG A 27 -0.819 -9.792 1.567 1.00 0.00 N ATOM 274 CZ ARG A 27 -0.941 -10.891 2.258 1.00 0.00 C ATOM 275 NH1 ARG A 27 0.079 -11.357 2.925 1.00 0.00 N ATOM 276 NH2 ARG A 27 -2.083 -11.522 2.284 1.00 0.00 N ATOM 0 H ARG A 27 -0.507 -3.866 0.921 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.499 -6.151 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.044 -6.105 1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.454 -6.725 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.314 -8.299 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.398 -7.991 -0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.298 -9.798 1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.711 -8.618 2.474 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.621 -9.414 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.970 -10.862 2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.015 -12.217 3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.880 -11.155 1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.178 -12.382 2.825 1.00 0.00 H new ATOM 290 N ASP A 28 -2.988 -6.203 -0.686 1.00 0.00 N ATOM 291 CA ASP A 28 -4.448 -6.303 -0.410 1.00 0.00 C ATOM 292 C ASP A 28 -4.712 -7.570 0.428 1.00 0.00 C ATOM 293 O ASP A 28 -4.252 -8.638 0.077 1.00 0.00 O ATOM 294 CB ASP A 28 -5.212 -6.392 -1.731 1.00 0.00 C ATOM 295 CG ASP A 28 -6.695 -6.102 -1.487 1.00 0.00 C ATOM 296 OD1 ASP A 28 -7.417 -7.037 -1.181 1.00 0.00 O ATOM 297 OD2 ASP A 28 -7.081 -4.952 -1.607 1.00 0.00 O ATOM 0 H ASP A 28 -2.705 -6.417 -1.642 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.783 -5.422 0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.805 -5.678 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.092 -7.384 -2.166 1.00 0.00 H new ATOM 302 N PRO A 29 -5.434 -7.474 1.529 1.00 0.00 N ATOM 303 CA PRO A 29 -5.721 -8.659 2.396 1.00 0.00 C ATOM 304 C PRO A 29 -6.830 -9.564 1.833 1.00 0.00 C ATOM 305 O PRO A 29 -7.397 -10.369 2.545 1.00 0.00 O ATOM 306 CB PRO A 29 -6.157 -8.022 3.721 1.00 0.00 C ATOM 307 CG PRO A 29 -6.811 -6.741 3.321 1.00 0.00 C ATOM 308 CD PRO A 29 -6.052 -6.249 2.082 1.00 0.00 C ATOM 0 HA PRO A 29 -4.856 -9.317 2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.847 -8.668 4.264 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.304 -7.845 4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.866 -6.895 3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.760 -6.008 4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.724 -5.781 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.299 -5.506 2.345 1.00 0.00 H new ATOM 316 N ARG A 30 -7.145 -9.452 0.566 1.00 0.00 N ATOM 317 CA ARG A 30 -8.213 -10.326 -0.009 1.00 0.00 C ATOM 318 C ARG A 30 -7.585 -11.628 -0.511 1.00 0.00 C ATOM 319 O ARG A 30 -7.851 -12.695 0.009 1.00 0.00 O ATOM 320 CB ARG A 30 -8.908 -9.610 -1.171 1.00 0.00 C ATOM 321 CG ARG A 30 -10.188 -10.369 -1.540 1.00 0.00 C ATOM 322 CD ARG A 30 -10.977 -9.585 -2.591 1.00 0.00 C ATOM 323 NE ARG A 30 -10.235 -9.578 -3.883 1.00 0.00 N ATOM 324 CZ ARG A 30 -10.857 -9.271 -4.990 1.00 0.00 C ATOM 325 NH1 ARG A 30 -12.132 -8.989 -4.962 1.00 0.00 N ATOM 326 NH2 ARG A 30 -10.208 -9.251 -6.123 1.00 0.00 N ATOM 0 H ARG A 30 -6.714 -8.800 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.950 -10.547 0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.148 -8.584 -0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.242 -9.557 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.936 -11.357 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.800 -10.519 -0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.961 -10.034 -2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.138 -8.563 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.243 -9.813 -3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.639 -9.009 -4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.620 -8.749 -5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.213 -9.475 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.696 -9.011 -6.986 1.00 0.00 H new ATOM 340 N THR A 31 -6.748 -11.553 -1.520 1.00 0.00 N ATOM 341 CA THR A 31 -6.092 -12.781 -2.069 1.00 0.00 C ATOM 342 C THR A 31 -4.618 -12.782 -1.651 1.00 0.00 C ATOM 343 O THR A 31 -3.971 -13.810 -1.631 1.00 0.00 O ATOM 344 CB THR A 31 -6.201 -12.780 -3.607 1.00 0.00 C ATOM 345 OG1 THR A 31 -4.972 -12.349 -4.176 1.00 0.00 O ATOM 346 CG2 THR A 31 -7.328 -11.843 -4.056 1.00 0.00 C ATOM 0 H THR A 31 -6.490 -10.685 -1.990 1.00 0.00 H new ATOM 0 HA THR A 31 -6.584 -13.672 -1.680 1.00 0.00 H new ATOM 0 HB THR A 31 -6.423 -13.793 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.045 -12.352 -5.153 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.396 -11.850 -5.144 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.273 -12.181 -3.631 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.118 -10.830 -3.712 1.00 0.00 H new ATOM 354 N GLY A 32 -4.090 -11.637 -1.294 1.00 0.00 N ATOM 355 CA GLY A 32 -2.662 -11.563 -0.848 1.00 0.00 C ATOM 356 C GLY A 32 -1.762 -11.036 -1.972 1.00 0.00 C ATOM 357 O GLY A 32 -0.554 -11.137 -1.895 1.00 0.00 O ATOM 0 H GLY A 32 -4.588 -10.747 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.582 -10.911 0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.322 -12.551 -0.538 1.00 0.00 H new ATOM 361 N LYS A 33 -2.319 -10.476 -3.014 1.00 0.00 N ATOM 362 CA LYS A 33 -1.446 -9.958 -4.110 1.00 0.00 C ATOM 363 C LYS A 33 -0.759 -8.666 -3.651 1.00 0.00 C ATOM 364 O LYS A 33 -0.994 -8.190 -2.556 1.00 0.00 O ATOM 365 CB LYS A 33 -2.271 -9.712 -5.389 1.00 0.00 C ATOM 366 CG LYS A 33 -3.320 -8.597 -5.194 1.00 0.00 C ATOM 367 CD LYS A 33 -4.564 -9.130 -4.464 1.00 0.00 C ATOM 368 CE LYS A 33 -5.747 -8.189 -4.713 1.00 0.00 C ATOM 369 NZ LYS A 33 -5.316 -6.780 -4.492 1.00 0.00 N ATOM 0 H LYS A 33 -3.322 -10.356 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.684 -10.702 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.602 -9.442 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.773 -10.635 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.883 -7.778 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.609 -8.192 -6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.803 -10.133 -4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.366 -9.207 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.115 -8.312 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.571 -8.438 -4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.078 -6.254 -4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.463 -6.767 -3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.106 -6.334 -5.407 1.00 0.00 H new ATOM 383 N GLU A 34 0.087 -8.095 -4.478 1.00 0.00 N ATOM 384 CA GLU A 34 0.800 -6.833 -4.094 1.00 0.00 C ATOM 385 C GLU A 34 0.697 -5.800 -5.222 1.00 0.00 C ATOM 386 O GLU A 34 0.315 -6.110 -6.332 1.00 0.00 O ATOM 387 CB GLU A 34 2.278 -7.153 -3.830 1.00 0.00 C ATOM 388 CG GLU A 34 2.395 -8.496 -3.098 1.00 0.00 C ATOM 389 CD GLU A 34 3.771 -8.605 -2.434 1.00 0.00 C ATOM 390 OE1 GLU A 34 3.961 -7.977 -1.404 1.00 0.00 O ATOM 391 OE2 GLU A 34 4.611 -9.311 -2.969 1.00 0.00 O ATOM 0 H GLU A 34 0.315 -8.451 -5.406 1.00 0.00 H new ATOM 0 HA GLU A 34 0.340 -6.421 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.825 -7.193 -4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.730 -6.362 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.610 -8.581 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.254 -9.317 -3.800 1.00 0.00 H new ATOM 398 N PHE A 35 1.050 -4.571 -4.938 1.00 0.00 N ATOM 399 CA PHE A 35 0.995 -3.495 -5.978 1.00 0.00 C ATOM 400 C PHE A 35 2.235 -2.601 -5.840 1.00 0.00 C ATOM 401 O PHE A 35 2.439 -1.959 -4.830 1.00 0.00 O ATOM 402 CB PHE A 35 -0.281 -2.651 -5.778 1.00 0.00 C ATOM 403 CG PHE A 35 -1.424 -3.239 -6.578 1.00 0.00 C ATOM 404 CD1 PHE A 35 -2.114 -4.360 -6.101 1.00 0.00 C ATOM 405 CD2 PHE A 35 -1.788 -2.660 -7.800 1.00 0.00 C ATOM 406 CE1 PHE A 35 -3.168 -4.902 -6.846 1.00 0.00 C ATOM 407 CE2 PHE A 35 -2.842 -3.201 -8.545 1.00 0.00 C ATOM 408 CZ PHE A 35 -3.531 -4.322 -8.068 1.00 0.00 C ATOM 0 H PHE A 35 1.377 -4.264 -4.022 1.00 0.00 H new ATOM 0 HA PHE A 35 0.976 -3.942 -6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.544 -2.621 -4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.099 -1.623 -6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.833 -4.806 -5.159 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.255 -1.796 -8.168 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.701 -5.767 -6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.123 -2.754 -9.487 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.344 -4.740 -8.643 1.00 0.00 H new ATOM 418 N GLY A 36 3.061 -2.552 -6.850 1.00 0.00 N ATOM 419 CA GLY A 36 4.279 -1.695 -6.778 1.00 0.00 C ATOM 420 C GLY A 36 3.876 -0.229 -6.934 1.00 0.00 C ATOM 421 O GLY A 36 3.238 0.147 -7.898 1.00 0.00 O ATOM 0 H GLY A 36 2.945 -3.068 -7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.787 -1.845 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.982 -1.976 -7.562 1.00 0.00 H new ATOM 425 N LEU A 37 4.236 0.605 -5.987 1.00 0.00 N ATOM 426 CA LEU A 37 3.869 2.055 -6.067 1.00 0.00 C ATOM 427 C LEU A 37 5.089 2.872 -6.506 1.00 0.00 C ATOM 428 O LEU A 37 5.151 3.378 -7.609 1.00 0.00 O ATOM 429 CB LEU A 37 3.400 2.554 -4.685 1.00 0.00 C ATOM 430 CG LEU A 37 2.654 1.445 -3.940 1.00 0.00 C ATOM 431 CD1 LEU A 37 2.204 1.966 -2.573 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.429 1.009 -4.751 1.00 0.00 C ATOM 0 H LEU A 37 4.770 0.342 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 37 3.064 2.177 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.259 2.880 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.750 3.420 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 37 3.317 0.590 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.672 1.178 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.076 2.270 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.543 2.822 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.901 0.219 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.763 1.861 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.750 0.637 -5.724 1.00 0.00 H new ATOM 444 N GLY A 38 6.051 3.010 -5.639 1.00 0.00 N ATOM 445 CA GLY A 38 7.263 3.803 -5.976 1.00 0.00 C ATOM 446 C GLY A 38 8.013 4.138 -4.686 1.00 0.00 C ATOM 447 O GLY A 38 7.665 3.674 -3.617 1.00 0.00 O ATOM 0 H GLY A 38 6.049 2.604 -4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.907 3.238 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.981 4.718 -6.496 1.00 0.00 H new ATOM 451 N ARG A 39 9.042 4.937 -4.770 1.00 0.00 N ATOM 452 CA ARG A 39 9.817 5.302 -3.547 1.00 0.00 C ATOM 453 C ARG A 39 9.301 6.629 -2.986 1.00 0.00 C ATOM 454 O ARG A 39 9.913 7.228 -2.126 1.00 0.00 O ATOM 455 CB ARG A 39 11.285 5.477 -3.919 1.00 0.00 C ATOM 456 CG ARG A 39 11.772 4.280 -4.740 1.00 0.00 C ATOM 457 CD ARG A 39 13.173 4.569 -5.266 1.00 0.00 C ATOM 458 NE ARG A 39 14.131 4.599 -4.129 1.00 0.00 N ATOM 459 CZ ARG A 39 15.412 4.502 -4.351 1.00 0.00 C ATOM 460 NH1 ARG A 39 15.854 4.361 -5.570 1.00 0.00 N ATOM 461 NH2 ARG A 39 16.250 4.538 -3.352 1.00 0.00 N ATOM 0 H ARG A 39 9.381 5.355 -5.636 1.00 0.00 H new ATOM 0 HA ARG A 39 9.703 4.514 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.415 6.396 -4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.887 5.576 -3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.780 3.381 -4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.091 4.092 -5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.468 3.805 -5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.186 5.523 -5.792 1.00 0.00 H new ATOM 0 HE ARG A 39 13.785 4.696 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.197 4.327 -6.350 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.856 4.285 -5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.903 4.642 -2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.252 4.462 -3.524 1.00 0.00 H new ATOM 475 N ASP A 40 8.194 7.107 -3.485 1.00 0.00 N ATOM 476 CA ASP A 40 7.653 8.416 -3.001 1.00 0.00 C ATOM 477 C ASP A 40 6.596 8.197 -1.915 1.00 0.00 C ATOM 478 O ASP A 40 5.464 7.857 -2.197 1.00 0.00 O ATOM 479 CB ASP A 40 7.008 9.155 -4.173 1.00 0.00 C ATOM 480 CG ASP A 40 8.096 9.650 -5.126 1.00 0.00 C ATOM 481 OD1 ASP A 40 8.847 8.823 -5.617 1.00 0.00 O ATOM 482 OD2 ASP A 40 8.160 10.848 -5.349 1.00 0.00 O ATOM 0 H ASP A 40 7.638 6.650 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 40 8.474 9.000 -2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.322 8.493 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.420 9.997 -3.807 1.00 0.00 H new ATOM 487 N ARG A 41 6.952 8.415 -0.677 1.00 0.00 N ATOM 488 CA ARG A 41 5.967 8.247 0.430 1.00 0.00 C ATOM 489 C ARG A 41 4.733 9.101 0.127 1.00 0.00 C ATOM 490 O ARG A 41 3.670 8.893 0.672 1.00 0.00 O ATOM 491 CB ARG A 41 6.596 8.737 1.749 1.00 0.00 C ATOM 492 CG ARG A 41 7.400 7.616 2.415 1.00 0.00 C ATOM 493 CD ARG A 41 7.891 8.103 3.781 1.00 0.00 C ATOM 494 NE ARG A 41 8.820 7.100 4.370 1.00 0.00 N ATOM 495 CZ ARG A 41 9.600 7.436 5.361 1.00 0.00 C ATOM 496 NH1 ARG A 41 9.565 8.652 5.836 1.00 0.00 N ATOM 497 NH2 ARG A 41 10.414 6.558 5.878 1.00 0.00 N ATOM 0 H ARG A 41 7.886 8.703 -0.384 1.00 0.00 H new ATOM 0 HA ARG A 41 5.688 7.197 0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.246 9.590 1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.813 9.081 2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.781 6.726 2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.246 7.335 1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.397 9.063 3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.043 8.262 4.447 1.00 0.00 H new ATOM 0 HE ARG A 41 8.847 6.150 3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.928 9.339 5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.175 8.915 6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.441 5.608 5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.023 6.821 6.652 1.00 0.00 H new ATOM 511 N ARG A 42 4.878 10.070 -0.727 1.00 0.00 N ATOM 512 CA ARG A 42 3.733 10.956 -1.061 1.00 0.00 C ATOM 513 C ARG A 42 2.755 10.206 -1.951 1.00 0.00 C ATOM 514 O ARG A 42 1.579 10.106 -1.661 1.00 0.00 O ATOM 515 CB ARG A 42 4.243 12.194 -1.799 1.00 0.00 C ATOM 516 CG ARG A 42 5.440 12.784 -1.051 1.00 0.00 C ATOM 517 CD ARG A 42 5.042 13.088 0.397 1.00 0.00 C ATOM 518 NE ARG A 42 3.667 13.664 0.424 1.00 0.00 N ATOM 519 CZ ARG A 42 3.006 13.718 1.548 1.00 0.00 C ATOM 520 NH1 ARG A 42 3.541 13.256 2.643 1.00 0.00 N ATOM 521 NH2 ARG A 42 1.805 14.230 1.574 1.00 0.00 N ATOM 0 H ARG A 42 5.748 10.289 -1.212 1.00 0.00 H new ATOM 0 HA ARG A 42 3.231 11.261 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.532 11.929 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.448 12.936 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.275 12.083 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.777 13.695 -1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.078 12.177 0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.750 13.788 0.841 1.00 0.00 H new ATOM 0 HE ARG A 42 3.244 14.015 -0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.477 12.852 2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.023 13.299 3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.384 14.587 0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.288 14.273 2.452 1.00 0.00 H new ATOM 535 N ILE A 43 3.233 9.688 -3.047 1.00 0.00 N ATOM 536 CA ILE A 43 2.336 8.957 -3.974 1.00 0.00 C ATOM 537 C ILE A 43 2.114 7.531 -3.464 1.00 0.00 C ATOM 538 O ILE A 43 1.063 6.955 -3.651 1.00 0.00 O ATOM 539 CB ILE A 43 2.962 8.926 -5.370 1.00 0.00 C ATOM 540 CG1 ILE A 43 3.104 10.362 -5.887 1.00 0.00 C ATOM 541 CG2 ILE A 43 2.061 8.131 -6.319 1.00 0.00 C ATOM 542 CD1 ILE A 43 3.916 10.367 -7.183 1.00 0.00 C ATOM 0 H ILE A 43 4.209 9.741 -3.339 1.00 0.00 H new ATOM 0 HA ILE A 43 1.373 9.465 -4.025 1.00 0.00 H new ATOM 0 HB ILE A 43 3.942 8.452 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.119 10.794 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.595 10.982 -5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.508 8.110 -7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.952 7.112 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.081 8.605 -6.372 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.014 11.390 -7.547 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.906 9.952 -6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.407 9.762 -7.934 1.00 0.00 H new ATOM 554 N ALA A 44 3.092 6.958 -2.822 1.00 0.00 N ATOM 555 CA ALA A 44 2.924 5.570 -2.304 1.00 0.00 C ATOM 556 C ALA A 44 1.866 5.553 -1.199 1.00 0.00 C ATOM 557 O ALA A 44 0.873 4.860 -1.292 1.00 0.00 O ATOM 558 CB ALA A 44 4.262 5.064 -1.755 1.00 0.00 C ATOM 0 H ALA A 44 3.998 7.387 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 44 2.598 4.918 -3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.139 4.049 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.006 5.067 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.593 5.716 -0.946 1.00 0.00 H new ATOM 564 N ILE A 45 2.067 6.306 -0.157 1.00 0.00 N ATOM 565 CA ILE A 45 1.066 6.322 0.945 1.00 0.00 C ATOM 566 C ILE A 45 -0.307 6.687 0.376 1.00 0.00 C ATOM 567 O ILE A 45 -1.322 6.167 0.793 1.00 0.00 O ATOM 568 CB ILE A 45 1.473 7.350 2.001 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.804 6.929 2.634 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.390 7.420 3.078 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.328 8.052 3.532 1.00 0.00 C ATOM 0 H ILE A 45 2.878 6.910 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 45 1.021 5.336 1.407 1.00 0.00 H new ATOM 0 HB ILE A 45 1.588 8.330 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.668 6.018 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.533 6.703 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.675 8.152 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.556 7.717 2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.277 6.441 3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.274 7.748 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.481 8.952 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.603 8.256 4.320 1.00 0.00 H new ATOM 583 N THR A 46 -0.346 7.575 -0.579 1.00 0.00 N ATOM 584 CA THR A 46 -1.652 7.971 -1.178 1.00 0.00 C ATOM 585 C THR A 46 -2.389 6.713 -1.650 1.00 0.00 C ATOM 586 O THR A 46 -3.501 6.447 -1.245 1.00 0.00 O ATOM 587 CB THR A 46 -1.387 8.921 -2.365 1.00 0.00 C ATOM 588 OG1 THR A 46 -1.350 10.259 -1.890 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.481 8.796 -3.437 1.00 0.00 C ATOM 0 H THR A 46 0.471 8.044 -0.971 1.00 0.00 H new ATOM 0 HA THR A 46 -2.270 8.485 -0.442 1.00 0.00 H new ATOM 0 HB THR A 46 -0.433 8.648 -2.817 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.422 10.516 -1.708 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.265 9.478 -4.259 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.508 7.773 -3.812 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.448 9.048 -3.001 1.00 0.00 H new ATOM 597 N GLU A 47 -1.775 5.951 -2.509 1.00 0.00 N ATOM 598 CA GLU A 47 -2.431 4.719 -3.034 1.00 0.00 C ATOM 599 C GLU A 47 -2.878 3.843 -1.871 1.00 0.00 C ATOM 600 O GLU A 47 -3.968 3.308 -1.862 1.00 0.00 O ATOM 601 CB GLU A 47 -1.420 3.946 -3.878 1.00 0.00 C ATOM 602 CG GLU A 47 -0.941 4.822 -5.029 1.00 0.00 C ATOM 603 CD GLU A 47 -2.037 4.917 -6.094 1.00 0.00 C ATOM 604 OE1 GLU A 47 -3.046 4.248 -5.939 1.00 0.00 O ATOM 605 OE2 GLU A 47 -1.848 5.656 -7.046 1.00 0.00 O ATOM 0 H GLU A 47 -0.839 6.129 -2.874 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.297 4.992 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.574 3.642 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.876 3.035 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.690 5.817 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.033 4.404 -5.464 1.00 0.00 H new ATOM 612 N ALA A 48 -2.041 3.692 -0.894 1.00 0.00 N ATOM 613 CA ALA A 48 -2.411 2.845 0.276 1.00 0.00 C ATOM 614 C ALA A 48 -3.718 3.359 0.896 1.00 0.00 C ATOM 615 O ALA A 48 -4.594 2.593 1.244 1.00 0.00 O ATOM 616 CB ALA A 48 -1.288 2.900 1.319 1.00 0.00 C ATOM 0 H ALA A 48 -1.114 4.116 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.553 1.815 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.556 2.281 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.363 2.528 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.145 3.930 1.646 1.00 0.00 H new ATOM 622 N ILE A 49 -3.850 4.651 1.044 1.00 0.00 N ATOM 623 CA ILE A 49 -5.094 5.214 1.651 1.00 0.00 C ATOM 624 C ILE A 49 -6.320 4.857 0.801 1.00 0.00 C ATOM 625 O ILE A 49 -7.364 4.523 1.325 1.00 0.00 O ATOM 626 CB ILE A 49 -4.963 6.736 1.764 1.00 0.00 C ATOM 627 CG1 ILE A 49 -3.863 7.062 2.777 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.290 7.337 2.240 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.528 8.555 2.715 1.00 0.00 C ATOM 0 H ILE A 49 -3.151 5.341 0.771 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.227 4.784 2.644 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.711 7.157 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.190 6.795 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.972 6.471 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.192 8.420 2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.076 7.095 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.547 6.924 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.744 8.782 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.182 8.809 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.419 9.138 2.950 1.00 0.00 H new ATOM 641 N GLN A 50 -6.215 4.922 -0.498 1.00 0.00 N ATOM 642 CA GLN A 50 -7.398 4.578 -1.342 1.00 0.00 C ATOM 643 C GLN A 50 -7.807 3.138 -1.045 1.00 0.00 C ATOM 644 O GLN A 50 -8.974 2.810 -0.975 1.00 0.00 O ATOM 645 CB GLN A 50 -7.046 4.710 -2.831 1.00 0.00 C ATOM 646 CG GLN A 50 -6.194 5.956 -3.048 1.00 0.00 C ATOM 647 CD GLN A 50 -6.057 6.226 -4.547 1.00 0.00 C ATOM 648 OE1 GLN A 50 -5.621 5.372 -5.293 1.00 0.00 O ATOM 649 NE2 GLN A 50 -6.415 7.387 -5.023 1.00 0.00 N ATOM 0 H GLN A 50 -5.374 5.194 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.217 5.260 -1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.506 3.825 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.957 4.772 -3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.652 6.813 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.209 5.819 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.781 8.104 -4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.329 7.577 -6.021 1.00 0.00 H new ATOM 658 N ALA A 51 -6.846 2.280 -0.862 1.00 0.00 N ATOM 659 CA ALA A 51 -7.161 0.860 -0.558 1.00 0.00 C ATOM 660 C ALA A 51 -7.824 0.771 0.816 1.00 0.00 C ATOM 661 O ALA A 51 -8.693 -0.047 1.049 1.00 0.00 O ATOM 662 CB ALA A 51 -5.867 0.044 -0.554 1.00 0.00 C ATOM 0 H ALA A 51 -5.852 2.502 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.839 0.465 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.095 -0.998 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.392 0.110 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.191 0.438 0.205 1.00 0.00 H new ATOM 668 N ASN A 52 -7.409 1.602 1.733 1.00 0.00 N ATOM 669 CA ASN A 52 -7.996 1.569 3.100 1.00 0.00 C ATOM 670 C ASN A 52 -9.450 2.039 3.070 1.00 0.00 C ATOM 671 O ASN A 52 -10.302 1.491 3.741 1.00 0.00 O ATOM 672 CB ASN A 52 -7.191 2.492 4.007 1.00 0.00 C ATOM 673 CG ASN A 52 -5.839 1.852 4.332 1.00 0.00 C ATOM 674 OD1 ASN A 52 -5.560 0.748 3.912 1.00 0.00 O ATOM 675 ND2 ASN A 52 -4.982 2.506 5.069 1.00 0.00 N ATOM 0 H ASN A 52 -6.684 2.306 1.592 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.965 0.546 3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.040 3.455 3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.743 2.684 4.927 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.078 2.089 5.292 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.216 3.434 5.422 1.00 0.00 H new ATOM 682 N ILE A 53 -9.744 3.052 2.306 1.00 0.00 N ATOM 683 CA ILE A 53 -11.145 3.549 2.250 1.00 0.00 C ATOM 684 C ILE A 53 -11.996 2.496 1.555 1.00 0.00 C ATOM 685 O ILE A 53 -13.148 2.291 1.880 1.00 0.00 O ATOM 686 CB ILE A 53 -11.200 4.866 1.474 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.304 5.895 2.170 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.642 5.380 1.449 1.00 0.00 C ATOM 689 CD1 ILE A 53 -10.232 7.171 1.330 1.00 0.00 C ATOM 0 H ILE A 53 -9.078 3.556 1.720 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.522 3.728 3.257 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.853 4.708 0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.697 6.123 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.304 5.484 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.684 6.319 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.282 4.644 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -12.988 5.544 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.594 7.900 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.818 6.938 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.233 7.586 1.212 1.00 0.00 H new ATOM 701 N GLU A 54 -11.422 1.808 0.614 1.00 0.00 N ATOM 702 CA GLU A 54 -12.175 0.744 -0.090 1.00 0.00 C ATOM 703 C GLU A 54 -12.387 -0.405 0.903 1.00 0.00 C ATOM 704 O GLU A 54 -13.442 -1.003 0.968 1.00 0.00 O ATOM 705 CB GLU A 54 -11.358 0.303 -1.336 1.00 0.00 C ATOM 706 CG GLU A 54 -10.882 -1.154 -1.236 1.00 0.00 C ATOM 707 CD GLU A 54 -10.073 -1.509 -2.483 1.00 0.00 C ATOM 708 OE1 GLU A 54 -9.559 -0.597 -3.110 1.00 0.00 O ATOM 709 OE2 GLU A 54 -9.979 -2.685 -2.791 1.00 0.00 O ATOM 0 H GLU A 54 -10.460 1.938 0.302 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.149 1.086 -0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.970 0.422 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.494 0.958 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.272 -1.289 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.738 -1.822 -1.142 1.00 0.00 H new ATOM 716 N LEU A 55 -11.382 -0.706 1.679 1.00 0.00 N ATOM 717 CA LEU A 55 -11.515 -1.807 2.673 1.00 0.00 C ATOM 718 C LEU A 55 -12.556 -1.411 3.723 1.00 0.00 C ATOM 719 O LEU A 55 -12.982 -2.218 4.524 1.00 0.00 O ATOM 720 CB LEU A 55 -10.158 -2.059 3.349 1.00 0.00 C ATOM 721 CG LEU A 55 -9.247 -2.890 2.418 1.00 0.00 C ATOM 722 CD1 LEU A 55 -7.777 -2.604 2.742 1.00 0.00 C ATOM 723 CD2 LEU A 55 -9.511 -4.390 2.616 1.00 0.00 C ATOM 0 H LEU A 55 -10.476 -0.238 1.667 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.835 -2.720 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.679 -1.109 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.305 -2.586 4.292 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.464 -2.614 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.138 -3.192 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.572 -1.544 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.574 -2.873 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.863 -4.964 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.305 -4.662 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.553 -4.610 2.383 1.00 0.00 H new ATOM 735 N PHE A 56 -12.975 -0.170 3.715 1.00 0.00 N ATOM 736 CA PHE A 56 -13.997 0.299 4.697 1.00 0.00 C ATOM 737 C PHE A 56 -15.357 0.338 3.985 1.00 0.00 C ATOM 738 O PHE A 56 -16.375 0.632 4.580 1.00 0.00 O ATOM 739 CB PHE A 56 -13.584 1.702 5.197 1.00 0.00 C ATOM 740 CG PHE A 56 -14.796 2.530 5.563 1.00 0.00 C ATOM 741 CD1 PHE A 56 -15.519 3.175 4.557 1.00 0.00 C ATOM 742 CD2 PHE A 56 -15.191 2.650 6.899 1.00 0.00 C ATOM 743 CE1 PHE A 56 -16.642 3.944 4.885 1.00 0.00 C ATOM 744 CE2 PHE A 56 -16.315 3.418 7.229 1.00 0.00 C ATOM 745 CZ PHE A 56 -17.040 4.065 6.221 1.00 0.00 C ATOM 0 H PHE A 56 -12.649 0.544 3.063 1.00 0.00 H new ATOM 0 HA PHE A 56 -14.068 -0.368 5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -12.931 1.604 6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -13.011 2.213 4.423 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -15.212 3.081 3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -14.630 2.151 7.676 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -17.201 4.443 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -16.622 3.511 8.260 1.00 0.00 H new ATOM 0 HZ PHE A 56 -17.907 4.658 6.475 1.00 0.00 H new ATOM 755 N SER A 57 -15.373 0.041 2.715 1.00 0.00 N ATOM 756 CA SER A 57 -16.656 0.056 1.959 1.00 0.00 C ATOM 757 C SER A 57 -16.472 -0.704 0.643 1.00 0.00 C ATOM 758 O SER A 57 -16.469 -0.124 -0.426 1.00 0.00 O ATOM 759 CB SER A 57 -17.058 1.505 1.665 1.00 0.00 C ATOM 760 OG SER A 57 -17.870 1.542 0.498 1.00 0.00 O ATOM 0 H SER A 57 -14.551 -0.212 2.167 1.00 0.00 H new ATOM 0 HA SER A 57 -17.438 -0.421 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.601 1.923 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.169 2.119 1.522 1.00 0.00 H new ATOM 0 HG SER A 57 -17.320 1.347 -0.289 1.00 0.00 H new ATOM 766 N GLY A 58 -16.314 -2.002 0.713 1.00 0.00 N ATOM 767 CA GLY A 58 -16.123 -2.813 -0.531 1.00 0.00 C ATOM 768 C GLY A 58 -17.452 -3.456 -0.935 1.00 0.00 C ATOM 769 O GLY A 58 -17.504 -4.298 -1.810 1.00 0.00 O ATOM 0 H GLY A 58 -16.309 -2.538 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.754 -2.179 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.371 -3.584 -0.363 1.00 0.00 H new ATOM 773 N HIS A 59 -18.527 -3.069 -0.305 1.00 0.00 N ATOM 774 CA HIS A 59 -19.848 -3.663 -0.655 1.00 0.00 C ATOM 775 C HIS A 59 -19.740 -5.189 -0.652 1.00 0.00 C ATOM 776 O HIS A 59 -20.094 -5.847 -1.609 1.00 0.00 O ATOM 777 CB HIS A 59 -20.269 -3.188 -2.048 1.00 0.00 C ATOM 778 CG HIS A 59 -20.427 -1.692 -2.041 1.00 0.00 C ATOM 779 ND1 HIS A 59 -20.940 -0.997 -3.126 1.00 0.00 N ATOM 780 CD2 HIS A 59 -20.144 -0.744 -1.089 1.00 0.00 C ATOM 781 CE1 HIS A 59 -20.949 0.309 -2.804 1.00 0.00 C ATOM 782 NE2 HIS A 59 -20.474 0.519 -1.573 1.00 0.00 N ATOM 0 H HIS A 59 -18.548 -2.368 0.436 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.591 -3.349 0.078 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.522 -3.482 -2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -21.207 -3.662 -2.338 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -19.729 -0.947 -0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -21.298 1.092 -3.461 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -20.375 1.413 -1.091 1.00 0.00 H new TER 790 HIS A 59