USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 66 ASN : amide:sc= -0.0609 K(o=0.39,f=-12!) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.447 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= -0.0231 USER MOD Set 2.2: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 33 GLN : amide:sc= -0.297 K(o=-0.32,f=1.2) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0.536 USER MOD Set 3.2: A 12 TYR OH : rot 81:sc= 0.59 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0731 USER MOD Single : A 4 SER OG : rot 28:sc= 0.133 USER MOD Single : A 7 GLN : amide:sc= -0.127 K(o=-0.13,f=-3.6!) USER MOD Single : A 11 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.6!) USER MOD Single : A 13 THR OG1 : rot -170:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0175 K(o=-0.017,f=-11!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0398 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0453 USER MOD Single : A 41 THR OG1 : rot -33:sc= 0.299 USER MOD Single : A 45 HIS : no HD1:sc= -0.995 X(o=-1,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= -0.0536 (180deg=-0.325) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.14) USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.000702) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 74 SER OG : rot 180:sc= -0.171 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 62.14 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 72.30 C ATOM 3 C GLY A 1 1.542 1.021 -2.236 1.00 22.14 C ATOM 4 O GLY A 1 2.275 1.904 -2.682 1.00 61.32 O ATOM 0 H1 GLY A 1 1.731 -0.714 0.641 1.00 62.14 H new ATOM 0 H2 GLY A 1 1.395 0.939 0.443 1.00 62.14 H new ATOM 0 H3 GLY A 1 0.332 -0.225 -0.189 1.00 62.14 H new ATOM 0 HA2 GLY A 1 3.121 0.209 -1.042 1.00 72.30 H new ATOM 0 HA3 GLY A 1 2.025 -0.992 -1.694 1.00 72.30 H new ATOM 10 N THR A 2 0.264 0.899 -2.582 1.00 31.43 N ATOM 11 CA THR A 2 -0.362 1.815 -3.527 1.00 21.31 C ATOM 12 C THR A 2 -0.346 3.245 -2.999 1.00 71.43 C ATOM 13 O THR A 2 -0.206 3.488 -1.800 1.00 32.13 O ATOM 14 CB THR A 2 -1.817 1.407 -3.825 1.00 31.02 C ATOM 15 OG1 THR A 2 -2.391 0.767 -2.679 1.00 74.52 O ATOM 16 CG2 THR A 2 -1.882 0.469 -5.021 1.00 63.13 C ATOM 0 H THR A 2 -0.357 0.175 -2.222 1.00 31.43 H new ATOM 0 HA THR A 2 0.218 1.764 -4.448 1.00 21.31 H new ATOM 0 HB THR A 2 -2.383 2.309 -4.059 1.00 31.02 H new ATOM 0 HG1 THR A 2 -3.317 0.512 -2.876 1.00 74.52 H new ATOM 0 HG21 THR A 2 -2.919 0.195 -5.212 1.00 63.13 H new ATOM 0 HG22 THR A 2 -1.471 0.969 -5.898 1.00 63.13 H new ATOM 0 HG23 THR A 2 -1.302 -0.430 -4.811 1.00 63.13 H new ATOM 24 N PRO A 3 -0.494 4.216 -3.913 1.00 22.24 N ATOM 25 CA PRO A 3 -0.500 5.639 -3.561 1.00 51.53 C ATOM 26 C PRO A 3 -1.753 6.040 -2.790 1.00 21.02 C ATOM 27 O PRO A 3 -2.807 5.419 -2.933 1.00 25.42 O ATOM 28 CB PRO A 3 -0.463 6.340 -4.922 1.00 52.33 C ATOM 29 CG PRO A 3 -1.056 5.358 -5.871 1.00 61.01 C ATOM 30 CD PRO A 3 -0.665 3.999 -5.359 1.00 71.24 C ATOM 0 HA PRO A 3 0.332 5.901 -2.907 1.00 51.53 H new ATOM 0 HB2 PRO A 3 -1.034 7.268 -4.905 1.00 52.33 H new ATOM 0 HB3 PRO A 3 0.557 6.599 -5.206 1.00 52.33 H new ATOM 0 HG2 PRO A 3 -2.140 5.462 -5.913 1.00 61.01 H new ATOM 0 HG3 PRO A 3 -0.681 5.517 -6.882 1.00 61.01 H new ATOM 0 HD2 PRO A 3 -1.434 3.255 -5.566 1.00 71.24 H new ATOM 0 HD3 PRO A 3 0.255 3.644 -5.824 1.00 71.24 H new ATOM 38 N SER A 4 -1.632 7.081 -1.973 1.00 53.30 N ATOM 39 CA SER A 4 -2.755 7.562 -1.176 1.00 1.23 C ATOM 40 C SER A 4 -2.658 9.069 -0.956 1.00 70.21 C ATOM 41 O SER A 4 -1.598 9.667 -1.137 1.00 72.45 O ATOM 42 CB SER A 4 -2.798 6.840 0.172 1.00 45.22 C ATOM 43 OG SER A 4 -3.521 5.625 0.077 1.00 21.10 O ATOM 0 H SER A 4 -0.768 7.608 -1.845 1.00 53.30 H new ATOM 0 HA SER A 4 -3.674 7.350 -1.723 1.00 1.23 H new ATOM 0 HB2 SER A 4 -1.782 6.637 0.512 1.00 45.22 H new ATOM 0 HB3 SER A 4 -3.261 7.485 0.919 1.00 45.22 H new ATOM 0 HG SER A 4 -3.461 5.279 -0.838 1.00 21.10 H new ATOM 49 N ALA A 5 -3.773 9.676 -0.564 1.00 44.51 N ATOM 50 CA ALA A 5 -3.815 11.112 -0.317 1.00 71.53 C ATOM 51 C ALA A 5 -2.752 11.526 0.695 1.00 64.50 C ATOM 52 O ALA A 5 -2.297 12.670 0.699 1.00 75.23 O ATOM 53 CB ALA A 5 -5.197 11.524 0.167 1.00 50.33 C ATOM 0 H ALA A 5 -4.660 9.196 -0.411 1.00 44.51 H new ATOM 0 HA ALA A 5 -3.604 11.624 -1.256 1.00 71.53 H new ATOM 0 HB1 ALA A 5 -5.214 12.599 0.348 1.00 50.33 H new ATOM 0 HB2 ALA A 5 -5.938 11.272 -0.591 1.00 50.33 H new ATOM 0 HB3 ALA A 5 -5.431 10.997 1.092 1.00 50.33 H new ATOM 59 N ASP A 6 -2.363 10.589 1.553 1.00 73.12 N ATOM 60 CA ASP A 6 -1.353 10.857 2.571 1.00 73.34 C ATOM 61 C ASP A 6 -0.011 11.196 1.929 1.00 50.31 C ATOM 62 O ASP A 6 0.810 11.898 2.519 1.00 61.44 O ATOM 63 CB ASP A 6 -1.199 9.650 3.497 1.00 32.21 C ATOM 64 CG ASP A 6 -0.241 9.916 4.641 1.00 10.24 C ATOM 65 OD1 ASP A 6 0.985 9.875 4.410 1.00 60.32 O1- ATOM 66 OD2 ASP A 6 -0.718 10.166 5.769 1.00 72.44 O ATOM 0 H ASP A 6 -2.731 9.638 1.564 1.00 73.12 H new ATOM 0 HA ASP A 6 -1.682 11.715 3.157 1.00 73.34 H new ATOM 0 HB2 ASP A 6 -2.175 9.378 3.900 1.00 32.21 H new ATOM 0 HB3 ASP A 6 -0.843 8.796 2.920 1.00 32.21 H new ATOM 71 N GLN A 7 0.204 10.692 0.718 1.00 61.34 N ATOM 72 CA GLN A 7 1.447 10.940 -0.002 1.00 33.32 C ATOM 73 C GLN A 7 1.498 12.373 -0.523 1.00 30.12 C ATOM 74 O GLN A 7 2.571 12.966 -0.634 1.00 65.14 O ATOM 75 CB GLN A 7 1.593 9.957 -1.165 1.00 3.44 C ATOM 76 CG GLN A 7 2.070 8.578 -0.739 1.00 3.33 C ATOM 77 CD GLN A 7 3.571 8.517 -0.535 1.00 3.22 C ATOM 78 OE1 GLN A 7 4.192 9.493 -0.114 1.00 64.11 O ATOM 79 NE2 GLN A 7 4.163 7.366 -0.833 1.00 43.14 N ATOM 0 H GLN A 7 -0.466 10.110 0.215 1.00 61.34 H new ATOM 0 HA GLN A 7 2.274 10.795 0.693 1.00 33.32 H new ATOM 0 HB2 GLN A 7 0.632 9.860 -1.671 1.00 3.44 H new ATOM 0 HB3 GLN A 7 2.295 10.367 -1.891 1.00 3.44 H new ATOM 0 HG2 GLN A 7 1.570 8.295 0.187 1.00 3.33 H new ATOM 0 HG3 GLN A 7 1.780 7.848 -1.495 1.00 3.33 H new ATOM 0 HE21 GLN A 7 3.609 6.582 -1.179 1.00 43.14 H new ATOM 0 HE22 GLN A 7 5.171 7.266 -0.716 1.00 43.14 H new ATOM 88 N VAL A 8 0.331 12.923 -0.841 1.00 11.23 N ATOM 89 CA VAL A 8 0.242 14.286 -1.350 1.00 70.32 C ATOM 90 C VAL A 8 -0.042 15.275 -0.225 1.00 51.41 C ATOM 91 O VAL A 8 -0.552 16.371 -0.461 1.00 2.43 O ATOM 92 CB VAL A 8 -0.858 14.415 -2.421 1.00 23.21 C ATOM 93 CG1 VAL A 8 -0.559 13.509 -3.605 1.00 70.42 C ATOM 94 CG2 VAL A 8 -2.221 14.097 -1.825 1.00 21.21 C ATOM 0 H VAL A 8 -0.566 12.445 -0.755 1.00 11.23 H new ATOM 0 HA VAL A 8 1.207 14.519 -1.801 1.00 70.32 H new ATOM 0 HB VAL A 8 -0.875 15.445 -2.778 1.00 23.21 H new ATOM 0 HG11 VAL A 8 -1.347 13.614 -4.351 1.00 70.42 H new ATOM 0 HG12 VAL A 8 0.398 13.790 -4.045 1.00 70.42 H new ATOM 0 HG13 VAL A 8 -0.513 12.473 -3.268 1.00 70.42 H new ATOM 0 HG21 VAL A 8 -2.986 14.193 -2.595 1.00 21.21 H new ATOM 0 HG22 VAL A 8 -2.220 13.078 -1.439 1.00 21.21 H new ATOM 0 HG23 VAL A 8 -2.434 14.792 -1.013 1.00 21.21 H new ATOM 104 N ARG A 9 0.293 14.882 1.000 1.00 23.24 N ATOM 105 CA ARG A 9 0.074 15.733 2.163 1.00 13.23 C ATOM 106 C ARG A 9 1.101 16.861 2.212 1.00 52.15 C ATOM 107 O ARG A 9 1.971 16.960 1.346 1.00 24.40 O ATOM 108 CB ARG A 9 0.146 14.906 3.448 1.00 64.10 C ATOM 109 CG ARG A 9 -1.168 14.237 3.816 1.00 33.12 C ATOM 110 CD ARG A 9 -2.137 15.222 4.450 1.00 30.54 C ATOM 111 NE ARG A 9 -3.528 14.892 4.149 1.00 63.31 N ATOM 112 CZ ARG A 9 -4.565 15.555 4.649 1.00 44.51 C ATOM 113 NH1 ARG A 9 -4.369 16.579 5.468 1.00 13.12 N1+ ATOM 114 NH2 ARG A 9 -5.801 15.195 4.328 1.00 52.12 N ATOM 0 H ARG A 9 0.717 13.979 1.212 1.00 23.24 H new ATOM 0 HA ARG A 9 -0.920 16.173 2.078 1.00 13.23 H new ATOM 0 HB2 ARG A 9 0.914 14.141 3.335 1.00 64.10 H new ATOM 0 HB3 ARG A 9 0.457 15.552 4.269 1.00 64.10 H new ATOM 0 HG2 ARG A 9 -1.620 13.804 2.923 1.00 33.12 H new ATOM 0 HG3 ARG A 9 -0.978 13.416 4.507 1.00 33.12 H new ATOM 0 HD2 ARG A 9 -1.992 15.229 5.530 1.00 30.54 H new ATOM 0 HD3 ARG A 9 -1.917 16.228 4.092 1.00 30.54 H new ATOM 0 HE ARG A 9 -3.713 14.110 3.521 1.00 63.31 H new ATOM 0 HH11 ARG A 9 -3.420 16.860 5.716 1.00 13.12 H new ATOM 0 HH12 ARG A 9 -5.167 17.086 5.850 1.00 13.12 H new ATOM 0 HH21 ARG A 9 -5.956 14.409 3.697 1.00 52.12 H new ATOM 0 HH22 ARG A 9 -6.597 15.705 4.712 1.00 52.12 H new ATOM 128 N TYR A 10 0.994 17.707 3.230 1.00 14.33 N ATOM 129 CA TYR A 10 1.911 18.829 3.391 1.00 71.55 C ATOM 130 C TYR A 10 2.249 19.050 4.862 1.00 52.43 C ATOM 131 O TYR A 10 1.514 18.621 5.751 1.00 74.35 O ATOM 132 CB TYR A 10 1.302 20.102 2.800 1.00 34.44 C ATOM 133 CG TYR A 10 0.141 20.646 3.601 1.00 40.24 C ATOM 134 CD1 TYR A 10 0.355 21.489 4.685 1.00 21.35 C ATOM 135 CD2 TYR A 10 -1.169 20.318 3.275 1.00 40.41 C ATOM 136 CE1 TYR A 10 -0.702 21.989 5.421 1.00 1.11 C ATOM 137 CE2 TYR A 10 -2.232 20.814 4.004 1.00 61.22 C ATOM 138 CZ TYR A 10 -1.994 21.649 5.076 1.00 2.14 C ATOM 139 OH TYR A 10 -3.050 22.144 5.806 1.00 11.10 O ATOM 0 H TYR A 10 0.281 17.637 3.956 1.00 14.33 H new ATOM 0 HA TYR A 10 2.831 18.592 2.857 1.00 71.55 H new ATOM 0 HB2 TYR A 10 2.076 20.867 2.732 1.00 34.44 H new ATOM 0 HB3 TYR A 10 0.967 19.896 1.784 1.00 34.44 H new ATOM 0 HD1 TYR A 10 1.365 21.758 4.957 1.00 21.35 H new ATOM 0 HD2 TYR A 10 -1.359 19.664 2.437 1.00 40.41 H new ATOM 0 HE1 TYR A 10 -0.518 22.642 6.261 1.00 1.11 H new ATOM 0 HE2 TYR A 10 -3.244 20.550 3.736 1.00 61.22 H new ATOM 0 HH TYR A 10 -3.892 21.810 5.432 1.00 11.10 H new ATOM 149 N ASN A 11 3.368 19.723 5.111 1.00 42.23 N ATOM 150 CA ASN A 11 3.805 20.002 6.474 1.00 42.31 C ATOM 151 C ASN A 11 3.973 21.502 6.696 1.00 20.03 C ATOM 152 O ASN A 11 4.432 22.223 5.810 1.00 44.41 O ATOM 153 CB ASN A 11 5.122 19.281 6.767 1.00 13.35 C ATOM 154 CG ASN A 11 6.295 19.899 6.030 1.00 32.15 C ATOM 155 OD1 ASN A 11 6.222 20.158 4.829 1.00 50.24 O ATOM 156 ND2 ASN A 11 7.386 20.138 6.750 1.00 62.24 N ATOM 0 H ASN A 11 3.988 20.085 4.387 1.00 42.23 H new ATOM 0 HA ASN A 11 3.038 19.636 7.157 1.00 42.31 H new ATOM 0 HB2 ASN A 11 5.316 19.306 7.839 1.00 13.35 H new ATOM 0 HB3 ASN A 11 5.030 18.232 6.484 1.00 13.35 H new ATOM 0 HD21 ASN A 11 8.207 20.552 6.309 1.00 62.24 H new ATOM 0 HD22 ASN A 11 7.402 19.907 7.743 1.00 62.24 H new ATOM 163 N TYR A 12 3.598 21.965 7.883 1.00 45.02 N ATOM 164 CA TYR A 12 3.705 23.379 8.221 1.00 72.31 C ATOM 165 C TYR A 12 5.155 23.766 8.494 1.00 31.24 C ATOM 166 O TYR A 12 5.768 23.290 9.450 1.00 51.10 O ATOM 167 CB TYR A 12 2.841 23.700 9.442 1.00 11.32 C ATOM 168 CG TYR A 12 1.356 23.659 9.161 1.00 4.11 C ATOM 169 CD1 TYR A 12 0.768 24.571 8.293 1.00 5.04 C ATOM 170 CD2 TYR A 12 0.541 22.708 9.762 1.00 12.20 C ATOM 171 CE1 TYR A 12 -0.588 24.538 8.034 1.00 33.01 C ATOM 172 CE2 TYR A 12 -0.816 22.667 9.508 1.00 33.51 C ATOM 173 CZ TYR A 12 -1.376 23.584 8.644 1.00 53.13 C ATOM 174 OH TYR A 12 -2.728 23.546 8.387 1.00 31.24 O ATOM 0 H TYR A 12 3.217 21.381 8.628 1.00 45.02 H new ATOM 0 HA TYR A 12 3.348 23.958 7.369 1.00 72.31 H new ATOM 0 HB2 TYR A 12 3.072 22.990 10.236 1.00 11.32 H new ATOM 0 HB3 TYR A 12 3.105 24.690 9.813 1.00 11.32 H new ATOM 0 HD1 TYR A 12 1.382 25.318 7.813 1.00 5.04 H new ATOM 0 HD2 TYR A 12 0.976 21.988 10.440 1.00 12.20 H new ATOM 0 HE1 TYR A 12 -1.029 25.255 7.358 1.00 33.01 H new ATOM 0 HE2 TYR A 12 -1.435 21.921 9.984 1.00 33.51 H new ATOM 0 HH TYR A 12 -2.886 23.088 7.535 1.00 31.24 H new ATOM 184 N THR A 13 5.699 24.633 7.646 1.00 52.44 N ATOM 185 CA THR A 13 7.077 25.085 7.794 1.00 21.44 C ATOM 186 C THR A 13 7.154 26.606 7.853 1.00 1.51 C ATOM 187 O THR A 13 6.177 27.297 7.564 1.00 61.40 O ATOM 188 CB THR A 13 7.960 24.582 6.636 1.00 0.51 C ATOM 189 OG1 THR A 13 7.353 24.907 5.380 1.00 12.51 O ATOM 190 CG2 THR A 13 8.171 23.079 6.729 1.00 33.31 C ATOM 0 H THR A 13 5.206 25.036 6.849 1.00 52.44 H new ATOM 0 HA THR A 13 7.447 24.669 8.731 1.00 21.44 H new ATOM 0 HB THR A 13 8.930 25.074 6.708 1.00 0.51 H new ATOM 0 HG1 THR A 13 7.833 24.451 4.657 1.00 12.51 H new ATOM 0 HG21 THR A 13 8.797 22.748 5.901 1.00 33.31 H new ATOM 0 HG22 THR A 13 8.660 22.838 7.673 1.00 33.31 H new ATOM 0 HG23 THR A 13 7.207 22.573 6.680 1.00 33.31 H new ATOM 198 N GLU A 14 8.320 27.121 8.229 1.00 33.12 N ATOM 199 CA GLU A 14 8.523 28.562 8.325 1.00 45.32 C ATOM 200 C GLU A 14 9.159 29.109 7.051 1.00 72.14 C ATOM 201 O GLU A 14 10.088 28.514 6.502 1.00 2.41 O ATOM 202 CB GLU A 14 9.403 28.896 9.531 1.00 43.44 C ATOM 203 CG GLU A 14 8.731 29.810 10.542 1.00 35.42 C ATOM 204 CD GLU A 14 9.678 30.270 11.633 1.00 64.44 C ATOM 205 OE1 GLU A 14 10.868 30.494 11.330 1.00 12.22 O ATOM 206 OE2 GLU A 14 9.229 30.404 12.791 1.00 31.43 O1- ATOM 0 H GLU A 14 9.138 26.562 8.472 1.00 33.12 H new ATOM 0 HA GLU A 14 7.548 29.032 8.454 1.00 45.32 H new ATOM 0 HB2 GLU A 14 9.691 27.969 10.027 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.321 29.369 9.181 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.327 30.681 10.026 1.00 35.42 H new ATOM 0 HG3 GLU A 14 7.888 29.288 10.994 1.00 35.42 H new ATOM 213 N LEU A 15 8.652 30.245 6.584 1.00 31.01 N ATOM 214 CA LEU A 15 9.169 30.873 5.373 1.00 75.52 C ATOM 215 C LEU A 15 10.022 32.090 5.713 1.00 52.53 C ATOM 216 O LEU A 15 9.912 32.675 6.792 1.00 52.44 O ATOM 217 CB LEU A 15 8.016 31.284 4.456 1.00 45.14 C ATOM 218 CG LEU A 15 7.440 30.183 3.566 1.00 61.13 C ATOM 219 CD1 LEU A 15 6.035 30.543 3.111 1.00 24.13 C ATOM 220 CD2 LEU A 15 8.345 29.940 2.366 1.00 34.00 C ATOM 0 H LEU A 15 7.884 30.750 7.026 1.00 31.01 H new ATOM 0 HA LEU A 15 9.795 30.147 4.855 1.00 75.52 H new ATOM 0 HB2 LEU A 15 7.211 31.682 5.074 1.00 45.14 H new ATOM 0 HB3 LEU A 15 8.359 32.098 3.817 1.00 45.14 H new ATOM 0 HG LEU A 15 7.386 29.263 4.149 1.00 61.13 H new ATOM 0 HD11 LEU A 15 5.642 29.747 2.479 1.00 24.13 H new ATOM 0 HD12 LEU A 15 5.391 30.666 3.982 1.00 24.13 H new ATOM 0 HD13 LEU A 15 6.063 31.475 2.546 1.00 24.13 H new ATOM 0 HD21 LEU A 15 7.920 29.153 1.743 1.00 34.00 H new ATOM 0 HD22 LEU A 15 8.431 30.857 1.783 1.00 34.00 H new ATOM 0 HD23 LEU A 15 9.333 29.635 2.711 1.00 34.00 H new ATOM 232 N PRO A 16 10.893 32.485 4.772 1.00 52.33 N ATOM 233 CA PRO A 16 11.780 33.638 4.948 1.00 73.22 C ATOM 234 C PRO A 16 11.021 34.961 4.939 1.00 42.24 C ATOM 235 O PRO A 16 11.543 35.990 5.364 1.00 30.55 O ATOM 236 CB PRO A 16 12.718 33.552 3.742 1.00 54.14 C ATOM 237 CG PRO A 16 11.941 32.809 2.710 1.00 53.42 C ATOM 238 CD PRO A 16 11.078 31.835 3.464 1.00 70.53 C ATOM 0 HA PRO A 16 12.295 33.612 5.908 1.00 73.22 H new ATOM 0 HB2 PRO A 16 12.999 34.544 3.388 1.00 54.14 H new ATOM 0 HB3 PRO A 16 13.641 33.030 3.995 1.00 54.14 H new ATOM 0 HG2 PRO A 16 11.333 33.490 2.114 1.00 53.42 H new ATOM 0 HG3 PRO A 16 12.606 32.289 2.020 1.00 53.42 H new ATOM 0 HD2 PRO A 16 10.126 31.668 2.960 1.00 70.53 H new ATOM 0 HD3 PRO A 16 11.561 30.863 3.563 1.00 70.53 H new ATOM 246 N ASN A 17 9.785 34.924 4.451 1.00 3.13 N ATOM 247 CA ASN A 17 8.954 36.121 4.387 1.00 21.43 C ATOM 248 C ASN A 17 8.285 36.392 5.731 1.00 30.55 C ATOM 249 O ASN A 17 7.622 37.413 5.912 1.00 12.42 O ATOM 250 CB ASN A 17 7.890 35.970 3.297 1.00 30.03 C ATOM 251 CG ASN A 17 6.969 34.792 3.548 1.00 50.24 C ATOM 252 OD1 ASN A 17 7.088 34.100 4.559 1.00 12.44 O ATOM 253 ND2 ASN A 17 6.043 34.558 2.625 1.00 24.23 N ATOM 0 H ASN A 17 9.337 34.080 4.095 1.00 3.13 H new ATOM 0 HA ASN A 17 9.597 36.967 4.144 1.00 21.43 H new ATOM 0 HB2 ASN A 17 7.299 36.884 3.241 1.00 30.03 H new ATOM 0 HB3 ASN A 17 8.379 35.846 2.331 1.00 30.03 H new ATOM 0 HD21 ASN A 17 5.395 33.779 2.739 1.00 24.23 H new ATOM 0 HD22 ASN A 17 5.980 35.157 1.802 1.00 24.23 H new ATOM 260 N GLY A 18 8.466 35.471 6.673 1.00 75.24 N ATOM 261 CA GLY A 18 7.875 35.629 7.989 1.00 63.13 C ATOM 262 C GLY A 18 6.677 34.726 8.198 1.00 23.55 C ATOM 263 O GLY A 18 6.339 34.386 9.332 1.00 61.41 O ATOM 0 H GLY A 18 9.011 34.618 6.548 1.00 75.24 H new ATOM 0 HA2 GLY A 18 8.626 35.413 8.749 1.00 63.13 H new ATOM 0 HA3 GLY A 18 7.572 36.667 8.126 1.00 63.13 H new ATOM 267 N GLU A 19 6.031 34.337 7.103 1.00 64.42 N ATOM 268 CA GLU A 19 4.861 33.470 7.174 1.00 70.10 C ATOM 269 C GLU A 19 5.276 32.004 7.268 1.00 45.33 C ATOM 270 O GLU A 19 6.460 31.689 7.384 1.00 50.13 O ATOM 271 CB GLU A 19 3.968 33.681 5.950 1.00 2.11 C ATOM 272 CG GLU A 19 3.749 35.143 5.601 1.00 53.05 C ATOM 273 CD GLU A 19 3.466 35.998 6.821 1.00 73.31 C ATOM 274 OE1 GLU A 19 2.623 35.593 7.647 1.00 52.10 O1- ATOM 275 OE2 GLU A 19 4.090 37.073 6.949 1.00 64.10 O ATOM 0 H GLU A 19 6.298 34.609 6.157 1.00 64.42 H new ATOM 0 HA GLU A 19 4.301 33.730 8.072 1.00 70.10 H new ATOM 0 HB2 GLU A 19 4.414 33.175 5.094 1.00 2.11 H new ATOM 0 HB3 GLU A 19 3.001 33.211 6.131 1.00 2.11 H new ATOM 0 HG2 GLU A 19 4.632 35.527 5.090 1.00 53.05 H new ATOM 0 HG3 GLU A 19 2.916 35.225 4.903 1.00 53.05 H new ATOM 282 N TYR A 20 4.292 31.113 7.218 1.00 61.53 N ATOM 283 CA TYR A 20 4.553 29.681 7.301 1.00 34.14 C ATOM 284 C TYR A 20 4.577 29.050 5.912 1.00 55.31 C ATOM 285 O TYR A 20 5.626 28.620 5.430 1.00 31.44 O ATOM 286 CB TYR A 20 3.492 28.997 8.165 1.00 60.13 C ATOM 287 CG TYR A 20 3.925 28.781 9.597 1.00 60.13 C ATOM 288 CD1 TYR A 20 3.747 29.772 10.555 1.00 0.13 C ATOM 289 CD2 TYR A 20 4.511 27.585 9.994 1.00 15.40 C ATOM 290 CE1 TYR A 20 4.142 29.579 11.864 1.00 4.43 C ATOM 291 CE2 TYR A 20 4.907 27.383 11.301 1.00 61.50 C ATOM 292 CZ TYR A 20 4.722 28.383 12.233 1.00 52.13 C ATOM 293 OH TYR A 20 5.115 28.186 13.537 1.00 70.22 O ATOM 0 H TYR A 20 3.306 31.357 7.120 1.00 61.53 H new ATOM 0 HA TYR A 20 5.532 29.542 7.761 1.00 34.14 H new ATOM 0 HB2 TYR A 20 2.584 29.600 8.156 1.00 60.13 H new ATOM 0 HB3 TYR A 20 3.240 28.034 7.721 1.00 60.13 H new ATOM 0 HD1 TYR A 20 3.292 30.709 10.271 1.00 0.13 H new ATOM 0 HD2 TYR A 20 4.659 26.800 9.267 1.00 15.40 H new ATOM 0 HE1 TYR A 20 3.998 30.361 12.595 1.00 4.43 H new ATOM 0 HE2 TYR A 20 5.359 26.447 11.592 1.00 61.50 H new ATOM 0 HH TYR A 20 5.504 27.291 13.630 1.00 70.22 H new ATOM 303 N CYS A 21 3.414 29.000 5.272 1.00 45.41 N ATOM 304 CA CYS A 21 3.298 28.423 3.938 1.00 22.34 C ATOM 305 C CYS A 21 1.887 28.605 3.386 1.00 21.40 C ATOM 306 O CYS A 21 0.928 28.755 4.143 1.00 34.13 O ATOM 307 CB CYS A 21 3.657 26.936 3.970 1.00 14.31 C ATOM 308 SG CYS A 21 2.383 25.880 4.731 1.00 72.04 S ATOM 0 H CYS A 21 2.537 29.353 5.656 1.00 45.41 H new ATOM 0 HA CYS A 21 3.995 28.945 3.282 1.00 22.34 H new ATOM 0 HB2 CYS A 21 3.835 26.594 2.950 1.00 14.31 H new ATOM 0 HB3 CYS A 21 4.592 26.810 4.516 1.00 14.31 H new ATOM 313 N TYR A 22 1.769 28.591 2.063 1.00 73.41 N ATOM 314 CA TYR A 22 0.476 28.757 1.410 1.00 25.14 C ATOM 315 C TYR A 22 -0.191 27.406 1.172 1.00 21.32 C ATOM 316 O TYR A 22 0.382 26.519 0.539 1.00 14.24 O ATOM 317 CB TYR A 22 0.644 29.496 0.081 1.00 71.24 C ATOM 318 CG TYR A 22 0.768 30.995 0.234 1.00 53.20 C ATOM 319 CD1 TYR A 22 -0.132 31.711 1.014 1.00 71.22 C ATOM 320 CD2 TYR A 22 1.786 31.696 -0.401 1.00 33.03 C ATOM 321 CE1 TYR A 22 -0.023 33.081 1.156 1.00 43.51 C ATOM 322 CE2 TYR A 22 1.904 33.066 -0.264 1.00 75.54 C ATOM 323 CZ TYR A 22 0.997 33.754 0.515 1.00 12.31 C ATOM 324 OH TYR A 22 1.110 35.118 0.655 1.00 10.53 O ATOM 0 H TYR A 22 2.553 28.466 1.422 1.00 73.41 H new ATOM 0 HA TYR A 22 -0.162 29.346 2.068 1.00 25.14 H new ATOM 0 HB2 TYR A 22 1.531 29.116 -0.427 1.00 71.24 H new ATOM 0 HB3 TYR A 22 -0.210 29.274 -0.559 1.00 71.24 H new ATOM 0 HD1 TYR A 22 -0.931 31.187 1.518 1.00 71.22 H new ATOM 0 HD2 TYR A 22 2.497 31.161 -1.012 1.00 33.03 H new ATOM 0 HE1 TYR A 22 -0.732 33.622 1.765 1.00 43.51 H new ATOM 0 HE2 TYR A 22 2.702 33.595 -0.764 1.00 75.54 H new ATOM 0 HH TYR A 22 1.881 35.437 0.141 1.00 10.53 H new ATOM 334 N THR A 23 -1.409 27.256 1.684 1.00 31.22 N ATOM 335 CA THR A 23 -2.156 26.015 1.529 1.00 12.23 C ATOM 336 C THR A 23 -2.193 25.574 0.070 1.00 3.11 C ATOM 337 O THR A 23 -1.957 26.360 -0.847 1.00 50.51 O ATOM 338 CB THR A 23 -3.600 26.159 2.046 1.00 70.34 C ATOM 339 OG1 THR A 23 -4.014 27.528 1.967 1.00 51.01 O ATOM 340 CG2 THR A 23 -3.711 25.673 3.483 1.00 42.22 C ATOM 0 H THR A 23 -1.899 27.980 2.210 1.00 31.22 H new ATOM 0 HA THR A 23 -1.639 25.260 2.122 1.00 12.23 H new ATOM 0 HB THR A 23 -4.249 25.546 1.421 1.00 70.34 H new ATOM 0 HG1 THR A 23 -4.933 27.611 2.296 1.00 51.01 H new ATOM 0 HG21 THR A 23 -4.739 25.784 3.826 1.00 42.22 H new ATOM 0 HG22 THR A 23 -3.423 24.623 3.535 1.00 42.22 H new ATOM 0 HG23 THR A 23 -3.050 26.263 4.119 1.00 42.22 H new ATOM 348 N PRO A 24 -2.497 24.286 -0.152 1.00 10.51 N ATOM 349 CA PRO A 24 -2.574 23.712 -1.499 1.00 1.33 C ATOM 350 C PRO A 24 -3.773 24.233 -2.284 1.00 0.42 C ATOM 351 O PRO A 24 -4.777 24.644 -1.702 1.00 21.20 O ATOM 352 CB PRO A 24 -2.717 22.211 -1.237 1.00 42.41 C ATOM 353 CG PRO A 24 -3.327 22.120 0.120 1.00 13.41 C ATOM 354 CD PRO A 24 -2.791 23.292 0.894 1.00 22.44 C ATOM 0 HA PRO A 24 -1.705 23.972 -2.103 1.00 1.33 H new ATOM 0 HB2 PRO A 24 -3.349 21.736 -1.988 1.00 42.41 H new ATOM 0 HB3 PRO A 24 -1.750 21.709 -1.271 1.00 42.41 H new ATOM 0 HG2 PRO A 24 -4.415 22.155 0.062 1.00 13.41 H new ATOM 0 HG3 PRO A 24 -3.064 21.179 0.604 1.00 13.41 H new ATOM 0 HD2 PRO A 24 -3.521 23.667 1.611 1.00 22.44 H new ATOM 0 HD3 PRO A 24 -1.897 23.026 1.458 1.00 22.44 H new ATOM 362 N ARG A 25 -3.661 24.212 -3.608 1.00 41.50 N ATOM 363 CA ARG A 25 -4.737 24.683 -4.473 1.00 11.30 C ATOM 364 C ARG A 25 -4.971 26.179 -4.283 1.00 42.24 C ATOM 365 O ARG A 25 -6.049 26.691 -4.585 1.00 30.50 O ATOM 366 CB ARG A 25 -6.027 23.913 -4.184 1.00 71.35 C ATOM 367 CG ARG A 25 -5.830 22.409 -4.090 1.00 24.20 C ATOM 368 CD ARG A 25 -7.113 21.704 -3.677 1.00 13.12 C ATOM 369 NE ARG A 25 -7.555 22.107 -2.345 1.00 61.42 N ATOM 370 CZ ARG A 25 -8.429 21.418 -1.621 1.00 63.21 C ATOM 371 NH1 ARG A 25 -8.952 20.296 -2.098 1.00 60.40 N1+ ATOM 372 NH2 ARG A 25 -8.781 21.849 -0.416 1.00 31.52 N ATOM 0 H ARG A 25 -2.837 23.874 -4.105 1.00 41.50 H new ATOM 0 HA ARG A 25 -4.442 24.507 -5.507 1.00 11.30 H new ATOM 0 HB2 ARG A 25 -6.454 24.274 -3.248 1.00 71.35 H new ATOM 0 HB3 ARG A 25 -6.752 24.128 -4.969 1.00 71.35 H new ATOM 0 HG2 ARG A 25 -5.496 22.024 -5.053 1.00 24.20 H new ATOM 0 HG3 ARG A 25 -5.044 22.188 -3.368 1.00 24.20 H new ATOM 0 HD2 ARG A 25 -7.897 21.925 -4.401 1.00 13.12 H new ATOM 0 HD3 ARG A 25 -6.956 20.626 -3.696 1.00 13.12 H new ATOM 0 HE ARG A 25 -7.171 22.965 -1.949 1.00 61.42 H new ATOM 0 HH11 ARG A 25 -8.683 19.961 -3.023 1.00 60.40 H new ATOM 0 HH12 ARG A 25 -9.623 19.769 -1.540 1.00 60.40 H new ATOM 0 HH21 ARG A 25 -8.380 22.710 -0.045 1.00 31.52 H new ATOM 0 HH22 ARG A 25 -9.453 21.319 0.139 1.00 31.52 H new ATOM 386 N ARG A 26 -3.955 26.873 -3.781 1.00 23.54 N ATOM 387 CA ARG A 26 -4.051 28.309 -3.550 1.00 14.21 C ATOM 388 C ARG A 26 -3.135 29.075 -4.500 1.00 22.51 C ATOM 389 O ARG A 26 -2.055 28.601 -4.854 1.00 34.12 O ATOM 390 CB ARG A 26 -3.691 28.639 -2.100 1.00 32.13 C ATOM 391 CG ARG A 26 -4.664 29.598 -1.434 1.00 14.42 C ATOM 392 CD ARG A 26 -3.935 30.640 -0.600 1.00 12.23 C ATOM 393 NE ARG A 26 -3.998 30.340 0.828 1.00 53.14 N ATOM 394 CZ ARG A 26 -5.043 30.629 1.595 1.00 71.13 C ATOM 395 NH1 ARG A 26 -6.108 31.223 1.073 1.00 44.20 N1+ ATOM 396 NH2 ARG A 26 -5.025 30.325 2.886 1.00 33.14 N ATOM 0 H ARG A 26 -3.056 26.464 -3.526 1.00 23.54 H new ATOM 0 HA ARG A 26 -5.080 28.614 -3.740 1.00 14.21 H new ATOM 0 HB2 ARG A 26 -3.654 27.714 -1.524 1.00 32.13 H new ATOM 0 HB3 ARG A 26 -2.691 29.072 -2.072 1.00 32.13 H new ATOM 0 HG2 ARG A 26 -5.265 30.095 -2.195 1.00 14.42 H new ATOM 0 HG3 ARG A 26 -5.352 29.039 -0.800 1.00 14.42 H new ATOM 0 HD2 ARG A 26 -2.892 30.691 -0.914 1.00 12.23 H new ATOM 0 HD3 ARG A 26 -4.372 31.622 -0.784 1.00 12.23 H new ATOM 0 HE ARG A 26 -3.195 29.883 1.260 1.00 53.14 H new ATOM 0 HH11 ARG A 26 -6.125 31.459 0.081 1.00 44.20 H new ATOM 0 HH12 ARG A 26 -6.910 31.444 1.664 1.00 44.20 H new ATOM 0 HH21 ARG A 26 -4.208 29.869 3.291 1.00 33.14 H new ATOM 0 HH22 ARG A 26 -5.828 30.548 3.474 1.00 33.14 H new ATOM 410 N ARG A 27 -3.574 30.261 -4.909 1.00 50.31 N ATOM 411 CA ARG A 27 -2.795 31.092 -5.819 1.00 40.43 C ATOM 412 C ARG A 27 -1.511 31.574 -5.150 1.00 64.30 C ATOM 413 O ARG A 27 -1.550 32.265 -4.132 1.00 33.14 O ATOM 414 CB ARG A 27 -3.622 32.291 -6.284 1.00 5.30 C ATOM 415 CG ARG A 27 -2.830 33.298 -7.102 1.00 61.13 C ATOM 416 CD ARG A 27 -3.724 34.401 -7.645 1.00 24.42 C ATOM 417 NE ARG A 27 -3.979 35.439 -6.650 1.00 40.41 N ATOM 418 CZ ARG A 27 -4.625 36.569 -6.915 1.00 44.13 C ATOM 419 NH1 ARG A 27 -5.079 36.806 -8.138 1.00 21.21 N1+ ATOM 420 NH2 ARG A 27 -4.818 37.465 -5.956 1.00 21.32 N ATOM 0 H ARG A 27 -4.465 30.668 -4.625 1.00 50.31 H new ATOM 0 HA ARG A 27 -2.528 30.487 -6.685 1.00 40.43 H new ATOM 0 HB2 ARG A 27 -4.462 31.933 -6.879 1.00 5.30 H new ATOM 0 HB3 ARG A 27 -4.040 32.793 -5.412 1.00 5.30 H new ATOM 0 HG2 ARG A 27 -2.046 33.735 -6.483 1.00 61.13 H new ATOM 0 HG3 ARG A 27 -2.336 32.788 -7.929 1.00 61.13 H new ATOM 0 HD2 ARG A 27 -3.256 34.847 -8.523 1.00 24.42 H new ATOM 0 HD3 ARG A 27 -4.671 33.972 -7.972 1.00 24.42 H new ATOM 0 HE ARG A 27 -3.642 35.288 -5.699 1.00 40.41 H new ATOM 0 HH11 ARG A 27 -4.933 36.120 -8.878 1.00 21.21 H new ATOM 0 HH12 ARG A 27 -5.575 37.675 -8.339 1.00 21.21 H new ATOM 0 HH21 ARG A 27 -4.470 37.287 -5.014 1.00 21.32 H new ATOM 0 HH22 ARG A 27 -5.314 38.332 -6.161 1.00 21.32 H new ATOM 434 N CYS A 28 -0.373 31.205 -5.729 1.00 43.33 N ATOM 435 CA CYS A 28 0.923 31.598 -5.190 1.00 31.31 C ATOM 436 C CYS A 28 1.743 32.347 -6.236 1.00 63.13 C ATOM 437 O CYS A 28 1.289 32.561 -7.361 1.00 50.44 O ATOM 438 CB CYS A 28 1.693 30.367 -4.708 1.00 52.41 C ATOM 439 SG CYS A 28 1.776 29.017 -5.929 1.00 5.44 S ATOM 0 H CYS A 28 -0.323 30.634 -6.572 1.00 43.33 H new ATOM 0 HA CYS A 28 0.750 32.264 -4.345 1.00 31.31 H new ATOM 0 HB2 CYS A 28 2.707 30.666 -4.444 1.00 52.41 H new ATOM 0 HB3 CYS A 28 1.224 29.992 -3.798 1.00 52.41 H new ATOM 444 N THR A 29 2.953 32.745 -5.858 1.00 73.01 N ATOM 445 CA THR A 29 3.836 33.471 -6.762 1.00 32.12 C ATOM 446 C THR A 29 5.142 32.716 -6.980 1.00 33.55 C ATOM 447 O THR A 29 5.737 32.782 -8.055 1.00 51.13 O ATOM 448 CB THR A 29 4.155 34.880 -6.225 1.00 20.25 C ATOM 449 OG1 THR A 29 5.036 34.788 -5.101 1.00 30.25 O ATOM 450 CG2 THR A 29 2.881 35.605 -5.819 1.00 44.55 C ATOM 0 H THR A 29 3.344 32.577 -4.931 1.00 73.01 H new ATOM 0 HA THR A 29 3.309 33.562 -7.712 1.00 32.12 H new ATOM 0 HB THR A 29 4.639 35.447 -7.020 1.00 20.25 H new ATOM 0 HG1 THR A 29 5.235 35.688 -4.767 1.00 30.25 H new ATOM 0 HG21 THR A 29 3.131 36.597 -5.443 1.00 44.55 H new ATOM 0 HG22 THR A 29 2.225 35.699 -6.684 1.00 44.55 H new ATOM 0 HG23 THR A 29 2.373 35.039 -5.038 1.00 44.55 H new ATOM 458 N SER A 30 5.583 31.997 -5.952 1.00 63.54 N ATOM 459 CA SER A 30 6.821 31.230 -6.031 1.00 12.44 C ATOM 460 C SER A 30 6.645 29.848 -5.409 1.00 32.23 C ATOM 461 O SER A 30 5.934 29.687 -4.418 1.00 42.24 O ATOM 462 CB SER A 30 7.954 31.978 -5.325 1.00 1.42 C ATOM 463 OG SER A 30 7.814 33.380 -5.480 1.00 24.25 O ATOM 0 H SER A 30 5.102 31.930 -5.055 1.00 63.54 H new ATOM 0 HA SER A 30 7.076 31.106 -7.083 1.00 12.44 H new ATOM 0 HB2 SER A 30 7.956 31.725 -4.265 1.00 1.42 H new ATOM 0 HB3 SER A 30 8.914 31.658 -5.731 1.00 1.42 H new ATOM 0 HG SER A 30 8.549 33.835 -5.019 1.00 24.25 H new ATOM 469 N ALA A 31 7.297 28.853 -6.001 1.00 62.45 N ATOM 470 CA ALA A 31 7.215 27.484 -5.505 1.00 32.30 C ATOM 471 C ALA A 31 7.641 27.403 -4.043 1.00 10.12 C ATOM 472 O ALA A 31 7.041 26.675 -3.252 1.00 65.45 O ATOM 473 CB ALA A 31 8.072 26.562 -6.359 1.00 44.20 C ATOM 0 H ALA A 31 7.888 28.969 -6.824 1.00 62.45 H new ATOM 0 HA ALA A 31 6.176 27.161 -5.571 1.00 32.30 H new ATOM 0 HB1 ALA A 31 8.002 25.543 -5.978 1.00 44.20 H new ATOM 0 HB2 ALA A 31 7.719 26.589 -7.390 1.00 44.20 H new ATOM 0 HB3 ALA A 31 9.110 26.892 -6.322 1.00 44.20 H new ATOM 479 N ASP A 32 8.679 28.154 -3.692 1.00 12.20 N ATOM 480 CA ASP A 32 9.185 28.167 -2.324 1.00 73.45 C ATOM 481 C ASP A 32 8.069 28.487 -1.335 1.00 71.20 C ATOM 482 O ASP A 32 8.090 28.029 -0.193 1.00 64.22 O ATOM 483 CB ASP A 32 10.315 29.188 -2.186 1.00 74.03 C ATOM 484 CG ASP A 32 11.252 28.863 -1.039 1.00 11.45 C ATOM 485 OD1 ASP A 32 11.258 27.698 -0.589 1.00 52.31 O ATOM 486 OD2 ASP A 32 11.980 29.774 -0.592 1.00 51.42 O1- ATOM 0 H ASP A 32 9.186 28.762 -4.335 1.00 12.20 H new ATOM 0 HA ASP A 32 9.573 27.174 -2.096 1.00 73.45 H new ATOM 0 HB2 ASP A 32 10.883 29.225 -3.116 1.00 74.03 H new ATOM 0 HB3 ASP A 32 9.888 30.179 -2.033 1.00 74.03 H new ATOM 491 N GLN A 33 7.097 29.275 -1.782 1.00 13.05 N ATOM 492 CA GLN A 33 5.974 29.657 -0.935 1.00 61.53 C ATOM 493 C GLN A 33 5.038 28.475 -0.706 1.00 21.20 C ATOM 494 O GLN A 33 4.576 28.243 0.412 1.00 62.33 O ATOM 495 CB GLN A 33 5.203 30.818 -1.566 1.00 1.33 C ATOM 496 CG GLN A 33 6.091 31.976 -1.993 1.00 24.41 C ATOM 497 CD GLN A 33 5.394 33.318 -1.879 1.00 55.02 C ATOM 498 OE1 GLN A 33 5.834 34.198 -1.138 1.00 20.05 O ATOM 499 NE2 GLN A 33 4.301 33.483 -2.614 1.00 41.24 N ATOM 0 H GLN A 33 7.065 29.661 -2.726 1.00 13.05 H new ATOM 0 HA GLN A 33 6.371 29.975 0.029 1.00 61.53 H new ATOM 0 HB2 GLN A 33 4.656 30.451 -2.434 1.00 1.33 H new ATOM 0 HB3 GLN A 33 4.463 31.182 -0.853 1.00 1.33 H new ATOM 0 HG2 GLN A 33 6.991 31.985 -1.378 1.00 24.41 H new ATOM 0 HG3 GLN A 33 6.411 31.823 -3.024 1.00 24.41 H new ATOM 0 HE21 GLN A 33 3.971 32.727 -3.215 1.00 41.24 H new ATOM 0 HE22 GLN A 33 3.791 34.366 -2.578 1.00 41.24 H new ATOM 508 N CYS A 34 4.761 27.731 -1.771 1.00 20.44 N ATOM 509 CA CYS A 34 3.879 26.573 -1.688 1.00 42.12 C ATOM 510 C CYS A 34 4.334 25.621 -0.585 1.00 14.23 C ATOM 511 O CYS A 34 5.489 25.194 -0.556 1.00 24.15 O ATOM 512 CB CYS A 34 3.841 25.837 -3.028 1.00 20.31 C ATOM 513 SG CYS A 34 2.945 24.252 -2.981 1.00 43.23 S ATOM 0 H CYS A 34 5.135 27.910 -2.703 1.00 20.44 H new ATOM 0 HA CYS A 34 2.877 26.928 -1.448 1.00 42.12 H new ATOM 0 HB2 CYS A 34 3.375 26.483 -3.772 1.00 20.31 H new ATOM 0 HB3 CYS A 34 4.863 25.654 -3.359 1.00 20.31 H new ATOM 518 N CYS A 35 3.419 25.293 0.320 1.00 63.44 N ATOM 519 CA CYS A 35 3.724 24.392 1.425 1.00 62.12 C ATOM 520 C CYS A 35 4.364 23.104 0.916 1.00 75.41 C ATOM 521 O CYS A 35 3.838 22.452 0.014 1.00 52.33 O ATOM 522 CB CYS A 35 2.452 24.067 2.211 1.00 15.41 C ATOM 523 SG CYS A 35 2.682 24.039 4.018 1.00 54.35 S ATOM 0 H CYS A 35 2.459 25.638 0.310 1.00 63.44 H new ATOM 0 HA CYS A 35 4.433 24.893 2.085 1.00 62.12 H new ATOM 0 HB2 CYS A 35 1.687 24.803 1.964 1.00 15.41 H new ATOM 0 HB3 CYS A 35 2.076 23.096 1.888 1.00 15.41 H new ATOM 528 N ARG A 36 5.502 22.744 1.501 1.00 74.42 N ATOM 529 CA ARG A 36 6.215 21.535 1.106 1.00 31.31 C ATOM 530 C ARG A 36 5.448 20.288 1.536 1.00 11.50 C ATOM 531 O ARG A 36 4.596 20.328 2.423 1.00 64.44 O ATOM 532 CB ARG A 36 7.617 21.522 1.718 1.00 74.21 C ATOM 533 CG ARG A 36 8.651 22.265 0.888 1.00 33.43 C ATOM 534 CD ARG A 36 8.780 23.715 1.327 1.00 52.41 C ATOM 535 NE ARG A 36 9.716 23.869 2.438 1.00 64.13 N ATOM 536 CZ ARG A 36 9.981 25.034 3.019 1.00 24.21 C ATOM 537 NH1 ARG A 36 9.384 26.140 2.597 1.00 61.22 N1+ ATOM 538 NH2 ARG A 36 10.845 25.094 4.024 1.00 13.25 N ATOM 0 H ARG A 36 5.950 23.272 2.250 1.00 74.42 H new ATOM 0 HA ARG A 36 6.301 21.531 0.019 1.00 31.31 H new ATOM 0 HB2 ARG A 36 7.574 21.966 2.712 1.00 74.21 H new ATOM 0 HB3 ARG A 36 7.939 20.488 1.844 1.00 74.21 H new ATOM 0 HG2 ARG A 36 9.617 21.769 0.979 1.00 33.43 H new ATOM 0 HG3 ARG A 36 8.371 22.226 -0.165 1.00 33.43 H new ATOM 0 HD2 ARG A 36 9.114 24.320 0.485 1.00 52.41 H new ATOM 0 HD3 ARG A 36 7.801 24.093 1.622 1.00 52.41 H new ATOM 0 HE ARG A 36 10.192 23.037 2.787 1.00 64.13 H new ATOM 0 HH11 ARG A 36 8.719 26.098 1.824 1.00 61.22 H new ATOM 0 HH12 ARG A 36 9.589 27.033 3.045 1.00 61.22 H new ATOM 0 HH21 ARG A 36 11.306 24.245 4.351 1.00 13.25 H new ATOM 0 HH22 ARG A 36 11.048 25.989 4.469 1.00 13.25 H new ATOM 552 N PRO A 37 5.758 19.152 0.893 1.00 2.54 N ATOM 553 CA PRO A 37 5.110 17.871 1.191 1.00 73.11 C ATOM 554 C PRO A 37 5.511 17.323 2.556 1.00 25.00 C ATOM 555 O PRO A 37 6.596 17.617 3.060 1.00 22.30 O ATOM 556 CB PRO A 37 5.612 16.951 0.076 1.00 11.35 C ATOM 557 CG PRO A 37 6.911 17.544 -0.348 1.00 4.20 C ATOM 558 CD PRO A 37 6.764 19.031 -0.175 1.00 42.10 C ATOM 0 HA PRO A 37 4.025 17.962 1.229 1.00 73.11 H new ATOM 0 HB2 PRO A 37 5.741 15.929 0.434 1.00 11.35 H new ATOM 0 HB3 PRO A 37 4.905 16.912 -0.753 1.00 11.35 H new ATOM 0 HG2 PRO A 37 7.732 17.160 0.258 1.00 4.20 H new ATOM 0 HG3 PRO A 37 7.135 17.292 -1.385 1.00 4.20 H new ATOM 0 HD2 PRO A 37 7.708 19.498 0.107 1.00 42.10 H new ATOM 0 HD3 PRO A 37 6.433 19.512 -1.095 1.00 42.10 H new ATOM 566 N TYR A 38 4.632 16.525 3.150 1.00 62.25 N ATOM 567 CA TYR A 38 4.894 15.936 4.458 1.00 14.44 C ATOM 568 C TYR A 38 6.150 15.070 4.424 1.00 34.42 C ATOM 569 O TYR A 38 6.874 14.968 5.414 1.00 11.41 O ATOM 570 CB TYR A 38 3.697 15.101 4.915 1.00 22.13 C ATOM 571 CG TYR A 38 3.660 14.860 6.407 1.00 14.52 C ATOM 572 CD1 TYR A 38 4.592 14.032 7.020 1.00 30.11 C ATOM 573 CD2 TYR A 38 2.694 15.461 7.204 1.00 41.20 C ATOM 574 CE1 TYR A 38 4.562 13.808 8.383 1.00 14.55 C ATOM 575 CE2 TYR A 38 2.657 15.245 8.568 1.00 22.03 C ATOM 576 CZ TYR A 38 3.593 14.417 9.152 1.00 53.42 C ATOM 577 OH TYR A 38 3.560 14.198 10.511 1.00 22.44 O ATOM 0 H TYR A 38 3.730 16.270 2.746 1.00 62.25 H new ATOM 0 HA TYR A 38 5.053 16.748 5.168 1.00 14.44 H new ATOM 0 HB2 TYR A 38 2.778 15.604 4.614 1.00 22.13 H new ATOM 0 HB3 TYR A 38 3.718 14.140 4.401 1.00 22.13 H new ATOM 0 HD1 TYR A 38 5.353 13.555 6.421 1.00 30.11 H new ATOM 0 HD2 TYR A 38 1.959 16.109 6.749 1.00 41.20 H new ATOM 0 HE1 TYR A 38 5.293 13.160 8.843 1.00 14.55 H new ATOM 0 HE2 TYR A 38 1.900 15.721 9.173 1.00 22.03 H new ATOM 0 HH TYR A 38 2.817 14.701 10.906 1.00 22.44 H new ATOM 587 N ASP A 39 6.400 14.449 3.277 1.00 32.30 N ATOM 588 CA ASP A 39 7.569 13.592 3.111 1.00 33.55 C ATOM 589 C ASP A 39 8.369 13.998 1.877 1.00 15.11 C ATOM 590 O ASP A 39 8.097 13.539 0.768 1.00 13.04 O ATOM 591 CB ASP A 39 7.142 12.128 2.998 1.00 24.25 C ATOM 592 CG ASP A 39 5.921 11.947 2.119 1.00 54.15 C ATOM 593 OD1 ASP A 39 6.081 11.901 0.881 1.00 4.51 O ATOM 594 OD2 ASP A 39 4.804 11.850 2.669 1.00 23.30 O1- ATOM 0 H ASP A 39 5.810 14.523 2.448 1.00 32.30 H new ATOM 0 HA ASP A 39 8.204 13.711 3.989 1.00 33.55 H new ATOM 0 HB2 ASP A 39 7.967 11.542 2.593 1.00 24.25 H new ATOM 0 HB3 ASP A 39 6.931 11.736 3.993 1.00 24.25 H new ATOM 599 N THR A 40 9.358 14.864 2.078 1.00 42.33 N ATOM 600 CA THR A 40 10.197 15.334 0.983 1.00 51.22 C ATOM 601 C THR A 40 10.884 14.171 0.278 1.00 5.24 C ATOM 602 O THR A 40 11.245 14.266 -0.896 1.00 55.42 O ATOM 603 CB THR A 40 11.268 16.324 1.480 1.00 52.44 C ATOM 604 OG1 THR A 40 11.623 16.022 2.833 1.00 3.03 O ATOM 605 CG2 THR A 40 10.764 17.756 1.390 1.00 32.04 C ATOM 0 H THR A 40 9.597 15.254 2.990 1.00 42.33 H new ATOM 0 HA THR A 40 9.540 15.845 0.279 1.00 51.22 H new ATOM 0 HB THR A 40 12.147 16.225 0.843 1.00 52.44 H new ATOM 0 HG1 THR A 40 12.305 16.654 3.141 1.00 3.03 H new ATOM 0 HG21 THR A 40 11.537 18.437 1.746 1.00 32.04 H new ATOM 0 HG22 THR A 40 10.522 17.992 0.354 1.00 32.04 H new ATOM 0 HG23 THR A 40 9.871 17.867 2.005 1.00 32.04 H new ATOM 613 N THR A 41 11.064 13.069 1.001 1.00 61.40 N ATOM 614 CA THR A 41 11.709 11.887 0.446 1.00 21.31 C ATOM 615 C THR A 41 10.738 11.082 -0.412 1.00 74.10 C ATOM 616 O THR A 41 11.144 10.191 -1.156 1.00 32.32 O ATOM 617 CB THR A 41 12.269 10.978 1.556 1.00 11.20 C ATOM 618 OG1 THR A 41 12.964 9.868 0.977 1.00 50.03 O ATOM 619 CG2 THR A 41 11.151 10.470 2.455 1.00 40.10 C ATOM 0 H THR A 41 10.771 12.972 1.973 1.00 61.40 H new ATOM 0 HA THR A 41 12.533 12.240 -0.175 1.00 21.31 H new ATOM 0 HB THR A 41 12.962 11.564 2.160 1.00 11.20 H new ATOM 0 HG1 THR A 41 12.537 9.620 0.131 1.00 50.03 H new ATOM 0 HG21 THR A 41 11.571 9.830 3.231 1.00 40.10 H new ATOM 0 HG22 THR A 41 10.643 11.316 2.918 1.00 40.10 H new ATOM 0 HG23 THR A 41 10.437 9.899 1.861 1.00 40.10 H new ATOM 627 N ALA A 42 9.453 11.404 -0.302 1.00 33.42 N ATOM 628 CA ALA A 42 8.424 10.713 -1.070 1.00 33.24 C ATOM 629 C ALA A 42 7.447 11.703 -1.695 1.00 22.22 C ATOM 630 O ALA A 42 6.293 11.368 -1.957 1.00 41.33 O ATOM 631 CB ALA A 42 7.682 9.722 -0.185 1.00 72.43 C ATOM 0 H ALA A 42 9.100 12.139 0.311 1.00 33.42 H new ATOM 0 HA ALA A 42 8.913 10.167 -1.877 1.00 33.24 H new ATOM 0 HB1 ALA A 42 6.917 9.213 -0.771 1.00 72.43 H new ATOM 0 HB2 ALA A 42 8.385 8.988 0.209 1.00 72.43 H new ATOM 0 HB3 ALA A 42 7.212 10.254 0.642 1.00 72.43 H new ATOM 637 N ALA A 43 7.918 12.923 -1.930 1.00 12.24 N ATOM 638 CA ALA A 43 7.086 13.961 -2.525 1.00 72.33 C ATOM 639 C ALA A 43 7.882 15.243 -2.748 1.00 51.10 C ATOM 640 O ALA A 43 8.983 15.402 -2.218 1.00 33.12 O ATOM 641 CB ALA A 43 5.876 14.237 -1.645 1.00 43.44 C ATOM 0 H ALA A 43 8.871 13.217 -1.717 1.00 12.24 H new ATOM 0 HA ALA A 43 6.742 13.603 -3.496 1.00 72.33 H new ATOM 0 HB1 ALA A 43 5.264 15.014 -2.102 1.00 43.44 H new ATOM 0 HB2 ALA A 43 5.287 13.326 -1.540 1.00 43.44 H new ATOM 0 HB3 ALA A 43 6.209 14.569 -0.662 1.00 43.44 H new ATOM 647 N PHE A 44 7.320 16.154 -3.535 1.00 14.41 N ATOM 648 CA PHE A 44 7.979 17.421 -3.830 1.00 61.30 C ATOM 649 C PHE A 44 6.975 18.570 -3.825 1.00 33.54 C ATOM 650 O PHE A 44 5.766 18.352 -3.752 1.00 25.14 O ATOM 651 CB PHE A 44 8.685 17.350 -5.186 1.00 4.30 C ATOM 652 CG PHE A 44 7.790 16.896 -6.304 1.00 44.33 C ATOM 653 CD1 PHE A 44 7.554 15.547 -6.516 1.00 14.45 C ATOM 654 CD2 PHE A 44 7.185 17.818 -7.142 1.00 25.23 C ATOM 655 CE1 PHE A 44 6.732 15.127 -7.545 1.00 52.44 C ATOM 656 CE2 PHE A 44 6.361 17.404 -8.172 1.00 31.10 C ATOM 657 CZ PHE A 44 6.134 16.057 -8.373 1.00 44.43 C ATOM 0 H PHE A 44 6.410 16.039 -3.980 1.00 14.41 H new ATOM 0 HA PHE A 44 8.720 17.606 -3.052 1.00 61.30 H new ATOM 0 HB2 PHE A 44 9.087 18.333 -5.429 1.00 4.30 H new ATOM 0 HB3 PHE A 44 9.533 16.669 -5.110 1.00 4.30 H new ATOM 0 HD1 PHE A 44 8.017 14.816 -5.870 1.00 14.45 H new ATOM 0 HD2 PHE A 44 7.359 18.873 -6.989 1.00 25.23 H new ATOM 0 HE1 PHE A 44 6.558 14.073 -7.701 1.00 52.44 H new ATOM 0 HE2 PHE A 44 5.896 18.133 -8.819 1.00 31.10 H new ATOM 0 HZ PHE A 44 5.490 15.731 -9.176 1.00 44.43 H new ATOM 667 N HIS A 45 7.486 19.794 -3.904 1.00 30.01 N ATOM 668 CA HIS A 45 6.635 20.979 -3.910 1.00 13.52 C ATOM 669 C HIS A 45 6.827 21.780 -5.194 1.00 32.25 C ATOM 670 O HIS A 45 7.750 21.523 -5.966 1.00 34.05 O ATOM 671 CB HIS A 45 6.941 21.857 -2.696 1.00 41.02 C ATOM 672 CG HIS A 45 8.212 22.639 -2.826 1.00 44.22 C ATOM 673 ND1 HIS A 45 9.435 22.162 -2.404 1.00 74.21 N ATOM 674 CD2 HIS A 45 8.445 23.870 -3.338 1.00 33.33 C ATOM 675 CE1 HIS A 45 10.366 23.068 -2.648 1.00 71.35 C ATOM 676 NE2 HIS A 45 9.791 24.113 -3.215 1.00 4.31 N ATOM 0 H HIS A 45 8.485 19.992 -3.965 1.00 30.01 H new ATOM 0 HA HIS A 45 5.597 20.651 -3.860 1.00 13.52 H new ATOM 0 HB2 HIS A 45 6.113 22.549 -2.541 1.00 41.02 H new ATOM 0 HB3 HIS A 45 7.001 21.227 -1.808 1.00 41.02 H new ATOM 0 HD2 HIS A 45 7.710 24.537 -3.764 1.00 33.33 H new ATOM 0 HE1 HIS A 45 11.418 22.970 -2.422 1.00 71.35 H new ATOM 0 HE2 HIS A 45 10.269 24.963 -3.513 1.00 4.31 H new ATOM 684 N GLY A 46 5.949 22.753 -5.415 1.00 15.53 N ATOM 685 CA GLY A 46 6.039 23.577 -6.607 1.00 51.15 C ATOM 686 C GLY A 46 4.774 24.373 -6.858 1.00 30.33 C ATOM 687 O GLY A 46 3.700 24.018 -6.371 1.00 1.11 O ATOM 0 H GLY A 46 5.177 22.986 -4.790 1.00 15.53 H new ATOM 0 HA2 GLY A 46 6.882 24.261 -6.509 1.00 51.15 H new ATOM 0 HA3 GLY A 46 6.242 22.942 -7.469 1.00 51.15 H new ATOM 691 N CYS A 47 4.899 25.455 -7.620 1.00 73.31 N ATOM 692 CA CYS A 47 3.758 26.307 -7.934 1.00 12.40 C ATOM 693 C CYS A 47 3.379 26.187 -9.407 1.00 61.22 C ATOM 694 O CYS A 47 4.190 26.458 -10.291 1.00 61.52 O ATOM 695 CB CYS A 47 4.075 27.764 -7.593 1.00 0.44 C ATOM 696 SG CYS A 47 3.621 28.247 -5.896 1.00 52.01 S ATOM 0 H CYS A 47 5.780 25.763 -8.032 1.00 73.31 H new ATOM 0 HA CYS A 47 2.912 25.976 -7.332 1.00 12.40 H new ATOM 0 HB2 CYS A 47 5.142 27.935 -7.735 1.00 0.44 H new ATOM 0 HB3 CYS A 47 3.552 28.412 -8.296 1.00 0.44 H new ATOM 701 N GLY A 48 2.140 25.780 -9.662 1.00 51.40 N ATOM 702 CA GLY A 48 1.674 25.632 -11.029 1.00 22.12 C ATOM 703 C GLY A 48 0.235 25.162 -11.104 1.00 74.05 C ATOM 704 O GLY A 48 -0.548 25.390 -10.182 1.00 74.34 O ATOM 0 H GLY A 48 1.450 25.550 -8.947 1.00 51.40 H new ATOM 0 HA2 GLY A 48 1.769 26.586 -11.547 1.00 22.12 H new ATOM 0 HA3 GLY A 48 2.313 24.921 -11.552 1.00 22.12 H new ATOM 708 N ARG A 49 -0.115 24.506 -12.205 1.00 34.44 N ATOM 709 CA ARG A 49 -1.471 24.005 -12.398 1.00 43.42 C ATOM 710 C ARG A 49 -1.455 22.538 -12.815 1.00 72.42 C ATOM 711 O ARG A 49 -1.057 22.204 -13.931 1.00 32.25 O ATOM 712 CB ARG A 49 -2.200 24.839 -13.453 1.00 63.11 C ATOM 713 CG ARG A 49 -2.237 26.325 -13.137 1.00 51.12 C ATOM 714 CD ARG A 49 -2.138 27.166 -14.400 1.00 22.53 C ATOM 715 NE ARG A 49 -0.875 26.955 -15.102 1.00 64.14 N ATOM 716 CZ ARG A 49 -0.367 27.816 -15.976 1.00 64.40 C ATOM 717 NH1 ARG A 49 -1.011 28.940 -16.255 1.00 71.52 N1+ ATOM 718 NH2 ARG A 49 0.789 27.553 -16.573 1.00 63.11 N ATOM 0 H ARG A 49 0.521 24.309 -12.977 1.00 34.44 H new ATOM 0 HA ARG A 49 -2.001 24.089 -11.449 1.00 43.42 H new ATOM 0 HB2 ARG A 49 -1.714 24.694 -14.418 1.00 63.11 H new ATOM 0 HB3 ARG A 49 -3.222 24.472 -13.552 1.00 63.11 H new ATOM 0 HG2 ARG A 49 -3.162 26.563 -12.611 1.00 51.12 H new ATOM 0 HG3 ARG A 49 -1.415 26.576 -12.466 1.00 51.12 H new ATOM 0 HD2 ARG A 49 -2.967 26.921 -15.064 1.00 22.53 H new ATOM 0 HD3 ARG A 49 -2.237 28.220 -14.142 1.00 22.53 H new ATOM 0 HE ARG A 49 -0.354 26.099 -14.910 1.00 64.14 H new ATOM 0 HH11 ARG A 49 -1.899 29.146 -15.798 1.00 71.52 H new ATOM 0 HH12 ARG A 49 -0.618 29.599 -16.927 1.00 71.52 H new ATOM 0 HH21 ARG A 49 1.288 26.689 -16.361 1.00 63.11 H new ATOM 0 HH22 ARG A 49 1.179 28.215 -17.244 1.00 63.11 H new ATOM 732 N ILE A 50 -1.889 21.666 -11.911 1.00 45.20 N ATOM 733 CA ILE A 50 -1.925 20.235 -12.185 1.00 24.22 C ATOM 734 C ILE A 50 -3.351 19.760 -12.443 1.00 32.02 C ATOM 735 O ILE A 50 -3.649 18.571 -12.332 1.00 4.22 O ATOM 736 CB ILE A 50 -1.327 19.423 -11.021 1.00 43.24 C ATOM 737 CG1 ILE A 50 -1.974 19.837 -9.698 1.00 33.24 C ATOM 738 CG2 ILE A 50 0.181 19.613 -10.962 1.00 11.30 C ATOM 739 CD1 ILE A 50 -1.758 18.839 -8.582 1.00 33.13 C ATOM 0 H ILE A 50 -2.221 21.926 -10.982 1.00 45.20 H new ATOM 0 HA ILE A 50 -1.323 20.070 -13.078 1.00 24.22 H new ATOM 0 HB ILE A 50 -1.533 18.366 -11.190 1.00 43.24 H new ATOM 0 HG12 ILE A 50 -1.572 20.803 -9.393 1.00 33.24 H new ATOM 0 HG13 ILE A 50 -3.045 19.971 -9.853 1.00 33.24 H new ATOM 0 HG21 ILE A 50 0.589 19.033 -10.134 1.00 11.30 H new ATOM 0 HG22 ILE A 50 0.627 19.274 -11.897 1.00 11.30 H new ATOM 0 HG23 ILE A 50 0.409 20.668 -10.812 1.00 11.30 H new ATOM 0 HD11 ILE A 50 -2.244 19.197 -7.674 1.00 33.13 H new ATOM 0 HD12 ILE A 50 -2.185 17.877 -8.866 1.00 33.13 H new ATOM 0 HD13 ILE A 50 -0.690 18.722 -8.400 1.00 33.13 H new ATOM 751 N TRP A 51 -4.227 20.696 -12.788 1.00 65.10 N ATOM 752 CA TRP A 51 -5.622 20.373 -13.063 1.00 64.31 C ATOM 753 C TRP A 51 -6.179 21.262 -14.170 1.00 21.13 C ATOM 754 O TRP A 51 -5.688 22.363 -14.420 1.00 63.40 O ATOM 755 CB TRP A 51 -6.463 20.530 -11.795 1.00 25.32 C ATOM 756 CG TRP A 51 -6.183 19.480 -10.763 1.00 35.44 C ATOM 757 CD1 TRP A 51 -5.689 19.679 -9.506 1.00 65.11 C ATOM 758 CD2 TRP A 51 -6.379 18.069 -10.901 1.00 50.02 C ATOM 759 NE1 TRP A 51 -5.565 18.475 -8.854 1.00 72.11 N ATOM 760 CE2 TRP A 51 -5.983 17.472 -9.688 1.00 35.13 C ATOM 761 CE3 TRP A 51 -6.852 17.251 -11.931 1.00 1.24 C ATOM 762 CZ2 TRP A 51 -6.046 16.097 -9.480 1.00 0.23 C ATOM 763 CZ3 TRP A 51 -6.913 15.886 -11.722 1.00 32.24 C ATOM 764 CH2 TRP A 51 -6.513 15.320 -10.505 1.00 32.35 C ATOM 0 H TRP A 51 -3.996 21.685 -12.884 1.00 65.10 H new ATOM 0 HA TRP A 51 -5.670 19.336 -13.396 1.00 64.31 H new ATOM 0 HB2 TRP A 51 -6.276 21.513 -11.363 1.00 25.32 H new ATOM 0 HB3 TRP A 51 -7.519 20.495 -12.062 1.00 25.32 H new ATOM 0 HD1 TRP A 51 -5.433 20.640 -9.086 1.00 65.11 H new ATOM 0 HE1 TRP A 51 -5.218 18.349 -7.903 1.00 72.11 H new ATOM 0 HE3 TRP A 51 -7.164 17.678 -12.873 1.00 1.24 H new ATOM 0 HZ2 TRP A 51 -5.737 15.659 -8.542 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 -7.276 15.244 -12.511 1.00 32.24 H new ATOM 0 HH2 TRP A 51 -6.574 14.250 -10.373 1.00 32.35 H new ATOM 775 N PRO A 52 -7.227 20.775 -14.851 1.00 33.22 N ATOM 776 CA PRO A 52 -7.873 21.510 -15.942 1.00 11.42 C ATOM 777 C PRO A 52 -8.638 22.732 -15.445 1.00 61.34 C ATOM 778 O PRO A 52 -8.789 23.719 -16.165 1.00 42.35 O ATOM 779 CB PRO A 52 -8.837 20.482 -16.540 1.00 73.34 C ATOM 780 CG PRO A 52 -9.122 19.537 -15.425 1.00 72.40 C ATOM 781 CD PRO A 52 -7.863 19.469 -14.607 1.00 33.43 C ATOM 0 HA PRO A 52 -7.148 21.900 -16.656 1.00 11.42 H new ATOM 0 HB2 PRO A 52 -9.750 20.957 -16.899 1.00 73.34 H new ATOM 0 HB3 PRO A 52 -8.390 19.968 -17.390 1.00 73.34 H new ATOM 0 HG2 PRO A 52 -9.960 19.886 -14.822 1.00 72.40 H new ATOM 0 HG3 PRO A 52 -9.392 18.553 -15.807 1.00 72.40 H new ATOM 0 HD2 PRO A 52 -8.079 19.318 -13.549 1.00 33.43 H new ATOM 0 HD3 PRO A 52 -7.223 18.645 -14.922 1.00 33.43 H new ATOM 789 N LYS A 53 -9.119 22.660 -14.209 1.00 42.35 N ATOM 790 CA LYS A 53 -9.868 23.760 -13.613 1.00 54.32 C ATOM 791 C LYS A 53 -9.008 25.016 -13.521 1.00 33.53 C ATOM 792 O LYS A 53 -9.425 26.097 -13.937 1.00 74.30 O ATOM 793 CB LYS A 53 -10.369 23.369 -12.221 1.00 22.44 C ATOM 794 CG LYS A 53 -11.714 22.664 -12.234 1.00 55.12 C ATOM 795 CD LYS A 53 -12.467 22.875 -10.931 1.00 65.22 C ATOM 796 CE LYS A 53 -12.988 24.299 -10.813 1.00 22.10 C ATOM 797 NZ LYS A 53 -13.081 24.739 -9.394 1.00 32.33 N1+ ATOM 0 H LYS A 53 -9.003 21.850 -13.600 1.00 42.35 H new ATOM 0 HA LYS A 53 -10.724 23.973 -14.253 1.00 54.32 H new ATOM 0 HB2 LYS A 53 -9.632 22.719 -11.748 1.00 22.44 H new ATOM 0 HB3 LYS A 53 -10.444 24.266 -11.606 1.00 22.44 H new ATOM 0 HG2 LYS A 53 -12.313 23.036 -13.066 1.00 55.12 H new ATOM 0 HG3 LYS A 53 -11.565 21.597 -12.401 1.00 55.12 H new ATOM 0 HD2 LYS A 53 -13.301 22.175 -10.874 1.00 65.22 H new ATOM 0 HD3 LYS A 53 -11.809 22.656 -10.090 1.00 65.22 H new ATOM 0 HE2 LYS A 53 -12.329 24.973 -11.360 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -13.971 24.366 -11.279 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -13.440 25.714 -9.356 1.00 32.33 H new ATOM 0 HZ2 LYS A 53 -13.729 24.111 -8.878 1.00 32.33 H new ATOM 0 HZ3 LYS A 53 -12.139 24.700 -8.956 1.00 32.33 H new ATOM 811 N ASP A 54 -7.806 24.866 -12.975 1.00 52.15 N ATOM 812 CA ASP A 54 -6.886 25.988 -12.831 1.00 1.22 C ATOM 813 C ASP A 54 -6.440 26.504 -14.196 1.00 22.44 C ATOM 814 O ASP A 54 -6.125 27.683 -14.354 1.00 3.21 O ATOM 815 CB ASP A 54 -5.667 25.574 -12.005 1.00 23.13 C ATOM 816 CG ASP A 54 -6.047 25.064 -10.629 1.00 24.34 C ATOM 817 OD1 ASP A 54 -6.803 25.765 -9.925 1.00 70.21 O1- ATOM 818 OD2 ASP A 54 -5.587 23.964 -10.256 1.00 52.31 O ATOM 0 H ASP A 54 -7.446 23.978 -12.625 1.00 52.15 H new ATOM 0 HA ASP A 54 -7.410 26.791 -12.313 1.00 1.22 H new ATOM 0 HB2 ASP A 54 -5.117 24.798 -12.538 1.00 23.13 H new ATOM 0 HB3 ASP A 54 -4.996 26.426 -11.901 1.00 23.13 H new ATOM 823 N LYS A 55 -6.414 25.611 -15.180 1.00 0.11 N ATOM 824 CA LYS A 55 -6.007 25.974 -16.532 1.00 71.30 C ATOM 825 C LYS A 55 -6.972 26.988 -17.138 1.00 30.04 C ATOM 826 O LYS A 55 -6.567 27.869 -17.896 1.00 33.44 O ATOM 827 CB LYS A 55 -5.937 24.728 -17.418 1.00 4.34 C ATOM 828 CG LYS A 55 -5.632 25.033 -18.874 1.00 61.13 C ATOM 829 CD LYS A 55 -6.684 24.446 -19.800 1.00 32.24 C ATOM 830 CE LYS A 55 -6.892 25.316 -21.030 1.00 73.20 C ATOM 831 NZ LYS A 55 -6.808 24.526 -22.289 1.00 23.02 N1+ ATOM 0 H LYS A 55 -6.670 24.630 -15.066 1.00 0.11 H new ATOM 0 HA LYS A 55 -5.018 26.429 -16.476 1.00 71.30 H new ATOM 0 HB2 LYS A 55 -5.171 24.058 -17.028 1.00 4.34 H new ATOM 0 HB3 LYS A 55 -6.887 24.196 -17.358 1.00 4.34 H new ATOM 0 HG2 LYS A 55 -5.581 26.112 -19.017 1.00 61.13 H new ATOM 0 HG3 LYS A 55 -4.653 24.631 -19.133 1.00 61.13 H new ATOM 0 HD2 LYS A 55 -6.381 23.445 -20.108 1.00 32.24 H new ATOM 0 HD3 LYS A 55 -7.627 24.343 -19.262 1.00 32.24 H new ATOM 0 HE2 LYS A 55 -7.866 25.802 -20.971 1.00 73.20 H new ATOM 0 HE3 LYS A 55 -6.142 26.107 -21.047 1.00 73.20 H new ATOM 0 HZ1 LYS A 55 -6.955 25.155 -23.104 1.00 23.02 H new ATOM 0 HZ2 LYS A 55 -5.870 24.083 -22.359 1.00 23.02 H new ATOM 0 HZ3 LYS A 55 -7.540 23.788 -22.285 1.00 23.02 H new ATOM 845 N ARG A 56 -8.250 26.858 -16.797 1.00 42.23 N ATOM 846 CA ARG A 56 -9.273 27.763 -17.307 1.00 60.15 C ATOM 847 C ARG A 56 -8.969 29.205 -16.912 1.00 33.12 C ATOM 848 O ARG A 56 -9.030 30.111 -17.742 1.00 23.12 O ATOM 849 CB ARG A 56 -10.651 27.358 -16.780 1.00 63.23 C ATOM 850 CG ARG A 56 -10.932 25.869 -16.889 1.00 4.43 C ATOM 851 CD ARG A 56 -12.418 25.572 -16.767 1.00 71.40 C ATOM 852 NE ARG A 56 -12.895 24.711 -17.847 1.00 11.52 N ATOM 853 CZ ARG A 56 -13.165 25.149 -19.071 1.00 41.21 C ATOM 854 NH1 ARG A 56 -13.006 26.431 -19.370 1.00 51.32 N1+ ATOM 855 NH2 ARG A 56 -13.595 24.304 -20.000 1.00 63.40 N ATOM 0 H ARG A 56 -8.602 26.135 -16.170 1.00 42.23 H new ATOM 0 HA ARG A 56 -9.273 27.695 -18.395 1.00 60.15 H new ATOM 0 HB2 ARG A 56 -10.734 27.659 -15.736 1.00 63.23 H new ATOM 0 HB3 ARG A 56 -11.416 27.905 -17.331 1.00 63.23 H new ATOM 0 HG2 ARG A 56 -10.563 25.497 -17.845 1.00 4.43 H new ATOM 0 HG3 ARG A 56 -10.388 25.337 -16.108 1.00 4.43 H new ATOM 0 HD2 ARG A 56 -12.614 25.093 -15.808 1.00 71.40 H new ATOM 0 HD3 ARG A 56 -12.977 26.508 -16.776 1.00 71.40 H new ATOM 0 HE ARG A 56 -13.028 23.719 -17.650 1.00 11.52 H new ATOM 0 HH11 ARG A 56 -12.676 27.083 -18.659 1.00 51.32 H new ATOM 0 HH12 ARG A 56 -13.214 26.765 -20.311 1.00 51.32 H new ATOM 0 HH21 ARG A 56 -13.718 23.317 -19.774 1.00 63.40 H new ATOM 0 HH22 ARG A 56 -13.802 24.642 -20.940 1.00 63.40 H new ATOM 869 N GLU A 57 -8.642 29.408 -15.640 1.00 1.14 N ATOM 870 CA GLU A 57 -8.330 30.741 -15.136 1.00 73.50 C ATOM 871 C GLU A 57 -6.878 31.108 -15.431 1.00 75.12 C ATOM 872 O GLU A 57 -6.511 32.283 -15.434 1.00 65.11 O ATOM 873 CB GLU A 57 -8.589 30.814 -13.629 1.00 24.12 C ATOM 874 CG GLU A 57 -10.019 30.476 -13.241 1.00 62.23 C ATOM 875 CD GLU A 57 -10.133 29.981 -11.812 1.00 4.11 C ATOM 876 OE1 GLU A 57 -10.223 30.827 -10.897 1.00 2.34 O ATOM 877 OE2 GLU A 57 -10.133 28.749 -11.608 1.00 34.10 O1- ATOM 0 H GLU A 57 -8.586 28.668 -14.940 1.00 1.14 H new ATOM 0 HA GLU A 57 -8.978 31.455 -15.644 1.00 73.50 H new ATOM 0 HB2 GLU A 57 -7.911 30.130 -13.119 1.00 24.12 H new ATOM 0 HB3 GLU A 57 -8.353 31.818 -13.276 1.00 24.12 H new ATOM 0 HG2 GLU A 57 -10.644 31.360 -13.367 1.00 62.23 H new ATOM 0 HG3 GLU A 57 -10.405 29.714 -13.918 1.00 62.23 H new ATOM 884 N LYS A 58 -6.057 30.094 -15.680 1.00 50.53 N ATOM 885 CA LYS A 58 -4.645 30.308 -15.977 1.00 42.02 C ATOM 886 C LYS A 58 -3.953 31.042 -14.834 1.00 73.23 C ATOM 887 O LYS A 58 -3.436 32.145 -15.014 1.00 73.04 O ATOM 888 CB LYS A 58 -4.492 31.103 -17.276 1.00 61.50 C ATOM 889 CG LYS A 58 -4.965 30.353 -18.509 1.00 44.31 C ATOM 890 CD LYS A 58 -4.112 29.123 -18.774 1.00 22.35 C ATOM 891 CE LYS A 58 -2.667 29.499 -19.065 1.00 42.41 C ATOM 892 NZ LYS A 58 -2.560 30.445 -20.210 1.00 3.31 N1+ ATOM 0 H LYS A 58 -6.345 29.115 -15.682 1.00 50.53 H new ATOM 0 HA LYS A 58 -4.172 29.333 -16.096 1.00 42.02 H new ATOM 0 HB2 LYS A 58 -5.053 32.034 -17.190 1.00 61.50 H new ATOM 0 HB3 LYS A 58 -3.444 31.373 -17.405 1.00 61.50 H new ATOM 0 HG2 LYS A 58 -6.005 30.054 -18.378 1.00 44.31 H new ATOM 0 HG3 LYS A 58 -4.930 31.015 -19.374 1.00 44.31 H new ATOM 0 HD2 LYS A 58 -4.150 28.460 -17.910 1.00 22.35 H new ATOM 0 HD3 LYS A 58 -4.522 28.569 -19.619 1.00 22.35 H new ATOM 0 HE2 LYS A 58 -2.224 29.951 -18.178 1.00 42.41 H new ATOM 0 HE3 LYS A 58 -2.094 28.598 -19.284 1.00 42.41 H new ATOM 0 HZ1 LYS A 58 -1.571 30.493 -20.529 1.00 3.31 H new ATOM 0 HZ2 LYS A 58 -3.160 30.113 -20.992 1.00 3.31 H new ATOM 0 HZ3 LYS A 58 -2.873 31.390 -19.910 1.00 3.31 H new ATOM 906 N VAL A 59 -3.946 30.423 -13.657 1.00 2.35 N ATOM 907 CA VAL A 59 -3.315 31.017 -12.485 1.00 3.13 C ATOM 908 C VAL A 59 -2.530 29.975 -11.696 1.00 32.04 C ATOM 909 O VAL A 59 -3.090 28.983 -11.229 1.00 24.43 O ATOM 910 CB VAL A 59 -4.356 31.670 -11.557 1.00 0.14 C ATOM 911 CG1 VAL A 59 -5.440 30.670 -11.183 1.00 75.04 C ATOM 912 CG2 VAL A 59 -3.684 32.230 -10.312 1.00 61.33 C ATOM 0 H VAL A 59 -4.370 29.511 -13.491 1.00 2.35 H new ATOM 0 HA VAL A 59 -2.632 31.784 -12.849 1.00 3.13 H new ATOM 0 HB VAL A 59 -4.825 32.496 -12.091 1.00 0.14 H new ATOM 0 HG11 VAL A 59 -6.167 31.149 -10.527 1.00 75.04 H new ATOM 0 HG12 VAL A 59 -5.941 30.322 -12.086 1.00 75.04 H new ATOM 0 HG13 VAL A 59 -4.990 29.822 -10.668 1.00 75.04 H new ATOM 0 HG21 VAL A 59 -4.435 32.688 -9.668 1.00 61.33 H new ATOM 0 HG22 VAL A 59 -3.186 31.424 -9.773 1.00 61.33 H new ATOM 0 HG23 VAL A 59 -2.949 32.981 -10.602 1.00 61.33 H new ATOM 922 N ASP A 60 -1.229 30.206 -11.552 1.00 14.15 N ATOM 923 CA ASP A 60 -0.366 29.288 -10.818 1.00 22.51 C ATOM 924 C ASP A 60 -0.876 29.084 -9.394 1.00 13.20 C ATOM 925 O ASP A 60 -1.199 30.046 -8.696 1.00 44.21 O ATOM 926 CB ASP A 60 1.069 29.817 -10.788 1.00 60.44 C ATOM 927 CG ASP A 60 1.129 31.314 -10.556 1.00 44.41 C ATOM 928 OD1 ASP A 60 0.215 31.850 -9.894 1.00 45.21 O ATOM 929 OD2 ASP A 60 2.091 31.950 -11.035 1.00 43.53 O1- ATOM 0 H ASP A 60 -0.749 31.021 -11.934 1.00 14.15 H new ATOM 0 HA ASP A 60 -0.380 28.326 -11.331 1.00 22.51 H new ATOM 0 HB2 ASP A 60 1.625 29.308 -10.001 1.00 60.44 H new ATOM 0 HB3 ASP A 60 1.561 29.578 -11.731 1.00 60.44 H new ATOM 934 N ARG A 61 -0.946 27.826 -8.971 1.00 3.03 N ATOM 935 CA ARG A 61 -1.418 27.496 -7.632 1.00 14.00 C ATOM 936 C ARG A 61 -0.517 26.452 -6.980 1.00 1.23 C ATOM 937 O ARG A 61 0.131 25.661 -7.665 1.00 63.34 O ATOM 938 CB ARG A 61 -2.857 26.979 -7.689 1.00 5.22 C ATOM 939 CG ARG A 61 -3.817 27.925 -8.392 1.00 53.15 C ATOM 940 CD ARG A 61 -4.927 28.387 -7.461 1.00 54.13 C ATOM 941 NE ARG A 61 -6.087 27.502 -7.511 1.00 11.11 N ATOM 942 CZ ARG A 61 -7.298 27.852 -7.092 1.00 44.10 C ATOM 943 NH1 ARG A 61 -7.505 29.064 -6.594 1.00 75.50 N1+ ATOM 944 NH2 ARG A 61 -8.304 26.991 -7.170 1.00 12.20 N ATOM 0 H ARG A 61 -0.682 27.019 -9.536 1.00 3.03 H new ATOM 0 HA ARG A 61 -1.388 28.404 -7.029 1.00 14.00 H new ATOM 0 HB2 ARG A 61 -2.868 26.017 -8.201 1.00 5.22 H new ATOM 0 HB3 ARG A 61 -3.212 26.804 -6.673 1.00 5.22 H new ATOM 0 HG2 ARG A 61 -3.269 28.791 -8.764 1.00 53.15 H new ATOM 0 HG3 ARG A 61 -4.252 27.426 -9.258 1.00 53.15 H new ATOM 0 HD2 ARG A 61 -4.549 28.431 -6.440 1.00 54.13 H new ATOM 0 HD3 ARG A 61 -5.230 29.398 -7.733 1.00 54.13 H new ATOM 0 HE ARG A 61 -5.961 26.563 -7.889 1.00 11.11 H new ATOM 0 HH11 ARG A 61 -6.734 29.729 -6.532 1.00 75.50 H new ATOM 0 HH12 ARG A 61 -8.435 29.331 -6.273 1.00 75.50 H new ATOM 0 HH21 ARG A 61 -8.148 26.058 -7.552 1.00 12.20 H new ATOM 0 HH22 ARG A 61 -9.233 27.262 -6.848 1.00 12.20 H new ATOM 958 N CYS A 62 -0.480 26.456 -5.651 1.00 42.04 N ATOM 959 CA CYS A 62 0.342 25.512 -4.905 1.00 0.35 C ATOM 960 C CYS A 62 -0.140 24.080 -5.125 1.00 41.03 C ATOM 961 O CYS A 62 -1.329 23.788 -5.000 1.00 41.35 O ATOM 962 CB CYS A 62 0.314 25.847 -3.413 1.00 62.15 C ATOM 963 SG CYS A 62 1.085 24.582 -2.352 1.00 73.51 S ATOM 0 H CYS A 62 -1.011 27.104 -5.069 1.00 42.04 H new ATOM 0 HA CYS A 62 1.366 25.593 -5.269 1.00 0.35 H new ATOM 0 HB2 CYS A 62 0.823 26.798 -3.255 1.00 62.15 H new ATOM 0 HB3 CYS A 62 -0.722 25.985 -3.102 1.00 62.15 H new ATOM 968 N TYR A 63 0.792 23.193 -5.453 1.00 45.52 N ATOM 969 CA TYR A 63 0.464 21.792 -5.692 1.00 14.20 C ATOM 970 C TYR A 63 1.494 20.872 -5.044 1.00 21.05 C ATOM 971 O TYR A 63 2.646 21.257 -4.842 1.00 3.33 O ATOM 972 CB TYR A 63 0.389 21.514 -7.195 1.00 45.41 C ATOM 973 CG TYR A 63 1.738 21.511 -7.878 1.00 52.45 C ATOM 974 CD1 TYR A 63 2.513 20.359 -7.926 1.00 1.01 C ATOM 975 CD2 TYR A 63 2.238 22.661 -8.476 1.00 72.13 C ATOM 976 CE1 TYR A 63 3.746 20.352 -8.548 1.00 53.34 C ATOM 977 CE2 TYR A 63 3.470 22.664 -9.102 1.00 13.22 C ATOM 978 CZ TYR A 63 4.220 21.507 -9.135 1.00 70.24 C ATOM 979 OH TYR A 63 5.447 21.504 -9.757 1.00 43.32 O ATOM 0 H TYR A 63 1.781 23.419 -5.560 1.00 45.52 H new ATOM 0 HA TYR A 63 -0.508 21.591 -5.242 1.00 14.20 H new ATOM 0 HB2 TYR A 63 -0.092 20.549 -7.354 1.00 45.41 H new ATOM 0 HB3 TYR A 63 -0.245 22.267 -7.664 1.00 45.41 H new ATOM 0 HD1 TYR A 63 2.145 19.453 -7.469 1.00 1.01 H new ATOM 0 HD2 TYR A 63 1.653 23.569 -8.451 1.00 72.13 H new ATOM 0 HE1 TYR A 63 4.336 19.448 -8.575 1.00 53.34 H new ATOM 0 HE2 TYR A 63 3.843 23.567 -9.563 1.00 13.22 H new ATOM 0 HH TYR A 63 5.632 22.395 -10.120 1.00 43.32 H new ATOM 989 N ILE A 64 1.070 19.655 -4.721 1.00 55.33 N ATOM 990 CA ILE A 64 1.955 18.679 -4.097 1.00 5.43 C ATOM 991 C ILE A 64 1.652 17.269 -4.591 1.00 12.54 C ATOM 992 O ILE A 64 0.526 16.785 -4.470 1.00 4.15 O ATOM 993 CB ILE A 64 1.835 18.711 -2.562 1.00 2.33 C ATOM 994 CG1 ILE A 64 2.223 20.091 -2.027 1.00 75.43 C ATOM 995 CG2 ILE A 64 2.708 17.631 -1.940 1.00 44.01 C ATOM 996 CD1 ILE A 64 2.031 20.235 -0.533 1.00 11.12 C ATOM 0 H ILE A 64 0.120 19.321 -4.881 1.00 55.33 H new ATOM 0 HA ILE A 64 2.973 18.949 -4.379 1.00 5.43 H new ATOM 0 HB ILE A 64 0.798 18.515 -2.289 1.00 2.33 H new ATOM 0 HG12 ILE A 64 3.267 20.286 -2.272 1.00 75.43 H new ATOM 0 HG13 ILE A 64 1.629 20.850 -2.536 1.00 75.43 H new ATOM 0 HG21 ILE A 64 2.613 17.666 -0.855 1.00 44.01 H new ATOM 0 HG22 ILE A 64 2.389 16.653 -2.301 1.00 44.01 H new ATOM 0 HG23 ILE A 64 3.748 17.799 -2.218 1.00 44.01 H new ATOM 0 HD11 ILE A 64 2.326 21.238 -0.223 1.00 11.12 H new ATOM 0 HD12 ILE A 64 0.983 20.072 -0.283 1.00 11.12 H new ATOM 0 HD13 ILE A 64 2.646 19.500 -0.015 1.00 11.12 H new ATOM 1008 N CYS A 65 2.666 16.612 -5.145 1.00 21.21 N ATOM 1009 CA CYS A 65 2.510 15.255 -5.656 1.00 73.21 C ATOM 1010 C CYS A 65 3.504 14.306 -4.992 1.00 10.41 C ATOM 1011 O CYS A 65 4.447 14.741 -4.333 1.00 53.41 O ATOM 1012 CB CYS A 65 2.704 15.234 -7.174 1.00 24.12 C ATOM 1013 SG CYS A 65 1.458 16.191 -8.096 1.00 3.43 S ATOM 0 H CYS A 65 3.604 16.997 -5.251 1.00 21.21 H new ATOM 0 HA CYS A 65 1.500 14.918 -5.421 1.00 73.21 H new ATOM 0 HB2 CYS A 65 3.694 15.626 -7.409 1.00 24.12 H new ATOM 0 HB3 CYS A 65 2.680 14.200 -7.518 1.00 24.12 H new ATOM 1018 N ASN A 66 3.284 13.008 -5.172 1.00 44.32 N ATOM 1019 CA ASN A 66 4.160 11.997 -4.590 1.00 53.41 C ATOM 1020 C ASN A 66 5.397 11.785 -5.457 1.00 40.54 C ATOM 1021 O ASN A 66 5.446 12.226 -6.604 1.00 42.44 O ATOM 1022 CB ASN A 66 3.407 10.675 -4.423 1.00 4.34 C ATOM 1023 CG ASN A 66 2.946 10.102 -5.749 1.00 53.40 C ATOM 1024 OD1 ASN A 66 2.921 10.798 -6.764 1.00 23.11 O ATOM 1025 ND2 ASN A 66 2.577 8.826 -5.746 1.00 12.22 N ATOM 0 H ASN A 66 2.507 12.631 -5.716 1.00 44.32 H new ATOM 0 HA ASN A 66 4.481 12.351 -3.610 1.00 53.41 H new ATOM 0 HB2 ASN A 66 4.052 9.953 -3.923 1.00 4.34 H new ATOM 0 HB3 ASN A 66 2.543 10.831 -3.777 1.00 4.34 H new ATOM 0 HD21 ASN A 66 2.257 8.386 -6.609 1.00 12.22 H new ATOM 0 HD22 ASN A 66 2.614 8.286 -4.881 1.00 12.22 H new ATOM 1032 N ASN A 67 6.394 11.106 -4.899 1.00 11.55 N ATOM 1033 CA ASN A 67 7.632 10.835 -5.621 1.00 15.23 C ATOM 1034 C ASN A 67 7.355 10.055 -6.903 1.00 64.24 C ATOM 1035 O ASN A 67 8.076 10.190 -7.891 1.00 61.44 O ATOM 1036 CB ASN A 67 8.603 10.053 -4.734 1.00 20.14 C ATOM 1037 CG ASN A 67 8.100 8.658 -4.416 1.00 74.45 C ATOM 1038 OD1 ASN A 67 8.428 7.694 -5.109 1.00 73.43 O ATOM 1039 ND2 ASN A 67 7.298 8.544 -3.364 1.00 24.13 N ATOM 0 H ASN A 67 6.369 10.734 -3.950 1.00 11.55 H new ATOM 0 HA ASN A 67 8.084 11.790 -5.889 1.00 15.23 H new ATOM 0 HB2 ASN A 67 9.570 9.983 -5.232 1.00 20.14 H new ATOM 0 HB3 ASN A 67 8.762 10.600 -3.804 1.00 20.14 H new ATOM 0 HD21 ASN A 67 6.928 7.631 -3.102 1.00 24.13 H new ATOM 0 HD22 ASN A 67 7.052 9.370 -2.818 1.00 24.13 H new ATOM 1046 N GLU A 68 6.305 9.240 -6.877 1.00 2.34 N ATOM 1047 CA GLU A 68 5.933 8.439 -8.038 1.00 64.21 C ATOM 1048 C GLU A 68 5.209 9.290 -9.077 1.00 23.15 C ATOM 1049 O GLU A 68 4.971 8.848 -10.202 1.00 62.10 O ATOM 1050 CB GLU A 68 5.044 7.268 -7.613 1.00 13.03 C ATOM 1051 CG GLU A 68 5.547 6.539 -6.378 1.00 32.42 C ATOM 1052 CD GLU A 68 4.719 5.313 -6.047 1.00 43.55 C ATOM 1053 OE1 GLU A 68 3.532 5.277 -6.434 1.00 12.11 O ATOM 1054 OE2 GLU A 68 5.257 4.389 -5.401 1.00 63.23 O1- ATOM 0 H GLU A 68 5.698 9.117 -6.067 1.00 2.34 H new ATOM 0 HA GLU A 68 6.847 8.049 -8.486 1.00 64.21 H new ATOM 0 HB2 GLU A 68 4.037 7.638 -7.421 1.00 13.03 H new ATOM 0 HB3 GLU A 68 4.971 6.560 -8.438 1.00 13.03 H new ATOM 0 HG2 GLU A 68 6.584 6.241 -6.533 1.00 32.42 H new ATOM 0 HG3 GLU A 68 5.535 7.221 -5.528 1.00 32.42 H new ATOM 1061 N LYS A 69 4.862 10.513 -8.693 1.00 71.44 N ATOM 1062 CA LYS A 69 4.166 11.428 -9.590 1.00 40.30 C ATOM 1063 C LYS A 69 2.904 10.783 -10.154 1.00 12.13 C ATOM 1064 O LYS A 69 2.466 11.110 -11.258 1.00 32.33 O ATOM 1065 CB LYS A 69 5.089 11.854 -10.734 1.00 41.01 C ATOM 1066 CG LYS A 69 6.049 12.968 -10.358 1.00 21.00 C ATOM 1067 CD LYS A 69 6.953 13.342 -11.522 1.00 71.15 C ATOM 1068 CE LYS A 69 8.128 14.192 -11.064 1.00 4.11 C ATOM 1069 NZ LYS A 69 9.196 13.369 -10.432 1.00 61.00 N1+ ATOM 0 H LYS A 69 5.051 10.894 -7.766 1.00 71.44 H new ATOM 0 HA LYS A 69 3.877 12.309 -9.017 1.00 40.30 H new ATOM 0 HB2 LYS A 69 5.662 10.989 -11.068 1.00 41.01 H new ATOM 0 HB3 LYS A 69 4.481 12.179 -11.578 1.00 41.01 H new ATOM 0 HG2 LYS A 69 5.484 13.844 -10.039 1.00 21.00 H new ATOM 0 HG3 LYS A 69 6.657 12.654 -9.510 1.00 21.00 H new ATOM 0 HD2 LYS A 69 7.323 12.436 -12.002 1.00 71.15 H new ATOM 0 HD3 LYS A 69 6.378 13.887 -12.270 1.00 71.15 H new ATOM 0 HE2 LYS A 69 8.541 14.730 -11.917 1.00 4.11 H new ATOM 0 HE3 LYS A 69 7.779 14.941 -10.354 1.00 4.11 H new ATOM 0 HZ1 LYS A 69 9.694 13.936 -9.717 1.00 61.00 H new ATOM 0 HZ2 LYS A 69 8.770 12.536 -9.978 1.00 61.00 H new ATOM 0 HZ3 LYS A 69 9.872 13.059 -11.159 1.00 61.00 H new ATOM 1083 N THR A 70 2.321 9.865 -9.389 1.00 30.31 N ATOM 1084 CA THR A 70 1.109 9.175 -9.812 1.00 22.31 C ATOM 1085 C THR A 70 -0.127 9.790 -9.168 1.00 43.33 C ATOM 1086 O THR A 70 -1.201 9.828 -9.771 1.00 43.31 O ATOM 1087 CB THR A 70 1.165 7.676 -9.460 1.00 53.45 C ATOM 1088 OG1 THR A 70 1.146 7.505 -8.039 1.00 5.25 O ATOM 1089 CG2 THR A 70 2.417 7.031 -10.037 1.00 43.40 C ATOM 0 H THR A 70 2.669 9.582 -8.473 1.00 30.31 H new ATOM 0 HA THR A 70 1.044 9.285 -10.894 1.00 22.31 H new ATOM 0 HB THR A 70 0.292 7.191 -9.895 1.00 53.45 H new ATOM 0 HG1 THR A 70 1.180 6.549 -7.824 1.00 5.25 H new ATOM 0 HG21 THR A 70 2.435 5.973 -9.776 1.00 43.40 H new ATOM 0 HG22 THR A 70 2.414 7.137 -11.122 1.00 43.40 H new ATOM 0 HG23 THR A 70 3.300 7.521 -9.627 1.00 43.40 H new ATOM 1097 N LEU A 71 0.028 10.272 -7.940 1.00 55.15 N ATOM 1098 CA LEU A 71 -1.077 10.888 -7.213 1.00 63.21 C ATOM 1099 C LEU A 71 -0.770 12.346 -6.888 1.00 74.32 C ATOM 1100 O LEU A 71 0.381 12.709 -6.641 1.00 71.24 O ATOM 1101 CB LEU A 71 -1.359 10.114 -5.924 1.00 51.23 C ATOM 1102 CG LEU A 71 -2.769 10.259 -5.350 1.00 34.13 C ATOM 1103 CD1 LEU A 71 -3.672 9.149 -5.865 1.00 32.00 C ATOM 1104 CD2 LEU A 71 -2.729 10.253 -3.829 1.00 23.13 C ATOM 0 H LEU A 71 0.909 10.248 -7.426 1.00 55.15 H new ATOM 0 HA LEU A 71 -1.961 10.856 -7.850 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -1.171 9.057 -6.110 1.00 51.23 H new ATOM 0 HB3 LEU A 71 -0.645 10.436 -5.166 1.00 51.23 H new ATOM 0 HG LEU A 71 -3.178 11.214 -5.679 1.00 34.13 H new ATOM 0 HD11 LEU A 71 -4.671 9.269 -5.446 1.00 32.00 H new ATOM 0 HD12 LEU A 71 -3.726 9.199 -6.952 1.00 32.00 H new ATOM 0 HD13 LEU A 71 -3.267 8.182 -5.566 1.00 32.00 H new ATOM 0 HD21 LEU A 71 -3.741 10.357 -3.438 1.00 23.13 H new ATOM 0 HD22 LEU A 71 -2.300 9.314 -3.480 1.00 23.13 H new ATOM 0 HD23 LEU A 71 -2.117 11.084 -3.478 1.00 23.13 H new ATOM 1116 N CYS A 72 -1.806 13.178 -6.887 1.00 53.03 N ATOM 1117 CA CYS A 72 -1.648 14.596 -6.590 1.00 32.24 C ATOM 1118 C CYS A 72 -2.869 15.136 -5.851 1.00 44.23 C ATOM 1119 O CYS A 72 -3.920 14.495 -5.811 1.00 42.24 O ATOM 1120 CB CYS A 72 -1.429 15.388 -7.881 1.00 15.44 C ATOM 1121 SG CYS A 72 0.078 14.921 -8.792 1.00 43.01 S ATOM 0 H CYS A 72 -2.765 12.894 -7.089 1.00 53.03 H new ATOM 0 HA CYS A 72 -0.775 14.712 -5.948 1.00 32.24 H new ATOM 0 HB2 CYS A 72 -2.292 15.248 -8.532 1.00 15.44 H new ATOM 0 HB3 CYS A 72 -1.381 16.450 -7.640 1.00 15.44 H new ATOM 1126 N THR A 73 -2.723 16.321 -5.265 1.00 61.13 N ATOM 1127 CA THR A 73 -3.812 16.947 -4.526 1.00 22.22 C ATOM 1128 C THR A 73 -5.074 17.036 -5.377 1.00 44.15 C ATOM 1129 O THR A 73 -5.013 16.967 -6.604 1.00 61.12 O ATOM 1130 CB THR A 73 -3.428 18.360 -4.049 1.00 35.12 C ATOM 1131 OG1 THR A 73 -2.583 18.991 -5.017 1.00 31.14 O ATOM 1132 CG2 THR A 73 -2.714 18.302 -2.707 1.00 55.11 C ATOM 0 H THR A 73 -1.861 16.866 -5.288 1.00 61.13 H new ATOM 0 HA THR A 73 -4.006 16.318 -3.657 1.00 22.22 H new ATOM 0 HB THR A 73 -4.343 18.941 -3.932 1.00 35.12 H new ATOM 0 HG1 THR A 73 -2.345 19.890 -4.707 1.00 31.14 H new ATOM 0 HG21 THR A 73 -2.452 19.312 -2.390 1.00 55.11 H new ATOM 0 HG22 THR A 73 -3.370 17.847 -1.965 1.00 55.11 H new ATOM 0 HG23 THR A 73 -1.807 17.705 -2.803 1.00 55.11 H new ATOM 1140 N SER A 74 -6.218 17.191 -4.717 1.00 30.10 N ATOM 1141 CA SER A 74 -7.495 17.287 -5.414 1.00 62.43 C ATOM 1142 C SER A 74 -7.551 18.545 -6.275 1.00 35.40 C ATOM 1143 O SER A 74 -6.636 19.369 -6.252 1.00 60.23 O ATOM 1144 CB SER A 74 -8.649 17.292 -4.409 1.00 23.42 C ATOM 1145 OG SER A 74 -9.901 17.222 -5.069 1.00 21.12 O ATOM 0 H SER A 74 -6.286 17.253 -3.701 1.00 30.10 H new ATOM 0 HA SER A 74 -7.592 16.418 -6.065 1.00 62.43 H new ATOM 0 HB2 SER A 74 -8.546 16.447 -3.728 1.00 23.42 H new ATOM 0 HB3 SER A 74 -8.604 18.197 -3.803 1.00 23.42 H new ATOM 0 HG SER A 74 -10.622 17.225 -4.405 1.00 21.12 H new ATOM 1151 N VAL A 75 -8.632 18.687 -7.035 1.00 55.43 N ATOM 1152 CA VAL A 75 -8.810 19.844 -7.904 1.00 11.13 C ATOM 1153 C VAL A 75 -9.631 20.928 -7.214 1.00 25.41 C ATOM 1154 O VAL A 75 -9.539 22.105 -7.561 1.00 24.22 O ATOM 1155 CB VAL A 75 -9.501 19.454 -9.224 1.00 13.53 C ATOM 1156 CG1 VAL A 75 -10.912 18.950 -8.960 1.00 14.01 C ATOM 1157 CG2 VAL A 75 -9.518 20.634 -10.184 1.00 0.01 C ATOM 0 H VAL A 75 -9.398 18.015 -7.066 1.00 55.43 H new ATOM 0 HA VAL A 75 -7.815 20.230 -8.124 1.00 11.13 H new ATOM 0 HB VAL A 75 -8.934 18.646 -9.687 1.00 13.53 H new ATOM 0 HG11 VAL A 75 -11.384 18.679 -9.904 1.00 14.01 H new ATOM 0 HG12 VAL A 75 -10.870 18.075 -8.311 1.00 14.01 H new ATOM 0 HG13 VAL A 75 -11.494 19.734 -8.475 1.00 14.01 H new ATOM 0 HG21 VAL A 75 -10.010 20.341 -11.112 1.00 0.01 H new ATOM 0 HG22 VAL A 75 -10.061 21.463 -9.731 1.00 0.01 H new ATOM 0 HG23 VAL A 75 -8.495 20.944 -10.398 1.00 0.01 H new ATOM 1167 N MET A 76 -10.433 20.522 -6.235 1.00 43.31 N ATOM 1168 CA MET A 76 -11.269 21.460 -5.495 1.00 43.13 C ATOM 1169 C MET A 76 -10.723 21.682 -4.088 1.00 51.03 C ATOM 1170 O MET A 76 -11.395 22.264 -3.235 1.00 70.34 O ATOM 1171 CB MET A 76 -12.708 20.945 -5.421 1.00 71.42 C ATOM 1172 CG MET A 76 -12.818 19.525 -4.890 1.00 32.35 C ATOM 1173 SD MET A 76 -14.498 19.098 -4.392 1.00 71.52 S ATOM 1174 CE MET A 76 -14.378 19.272 -2.613 1.00 75.53 C ATOM 0 H MET A 76 -10.522 19.551 -5.936 1.00 43.31 H new ATOM 0 HA MET A 76 -11.259 22.413 -6.024 1.00 43.13 H new ATOM 0 HB2 MET A 76 -13.291 21.609 -4.783 1.00 71.42 H new ATOM 0 HB3 MET A 76 -13.152 20.988 -6.415 1.00 71.42 H new ATOM 0 HG2 MET A 76 -12.482 18.827 -5.657 1.00 32.35 H new ATOM 0 HG3 MET A 76 -12.149 19.407 -4.037 1.00 32.35 H new ATOM 0 HE1 MET A 76 -15.341 19.040 -2.159 1.00 75.53 H new ATOM 0 HE2 MET A 76 -13.622 18.586 -2.230 1.00 75.53 H new ATOM 0 HE3 MET A 76 -14.097 20.296 -2.366 1.00 75.53 H new TER 1184 MET A 76