USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 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 38 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 TYR OH : rot -15:sc= -2.65! USER MOD Set 2.2: A 23 GLN : amide:sc= -1.85! C(o=-4.5!,f=-0.63!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0686 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -5.54! K(o=-5.5!,f=-2) USER MOD Single : A 39 THR OG1 : rot 6:sc= 0.723 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 39:sc=-0.00513 USER MOD Single : A 57 ASN : amide:sc=-0.00459 X(o=-0.0046,f=0.37) USER MOD Single : A 58 HIS : no HD1:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= -0.0617 X(o=-0.062,f=-0.51) USER MOD Single : A 63 SER OG : rot 83:sc= 0.0175 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.911 20.476 -4.838 1.00 0.00 N ATOM 2 CA GLY A 1 -2.373 19.564 -3.843 1.00 0.00 C ATOM 3 C GLY A 1 -1.904 18.260 -4.491 1.00 0.00 C ATOM 4 O GLY A 1 -0.883 18.236 -5.176 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.222 21.353 -4.373 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.176 20.698 -5.539 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.721 20.031 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.539 20.037 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.134 19.348 -3.093 1.00 0.00 H new ATOM 8 N SER A 2 -2.672 17.207 -4.250 1.00 0.00 N ATOM 9 CA SER A 2 -2.347 15.903 -4.801 1.00 0.00 C ATOM 10 C SER A 2 -3.121 15.677 -6.102 1.00 0.00 C ATOM 11 O SER A 2 -4.351 15.684 -6.105 1.00 0.00 O ATOM 12 CB SER A 2 -2.657 14.789 -3.799 1.00 0.00 C ATOM 13 OG SER A 2 -1.509 13.994 -3.513 1.00 0.00 O ATOM 0 H SER A 2 -3.518 17.231 -3.681 1.00 0.00 H new ATOM 0 HA SER A 2 -1.278 15.878 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.034 15.227 -2.875 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.448 14.153 -4.197 1.00 0.00 H new ATOM 0 HG SER A 2 -1.747 13.295 -2.868 1.00 0.00 H new ATOM 19 N SER A 3 -2.369 15.482 -7.175 1.00 0.00 N ATOM 20 CA SER A 3 -2.969 15.255 -8.478 1.00 0.00 C ATOM 21 C SER A 3 -2.694 13.822 -8.938 1.00 0.00 C ATOM 22 O SER A 3 -1.543 13.448 -9.161 1.00 0.00 O ATOM 23 CB SER A 3 -2.441 16.254 -9.510 1.00 0.00 C ATOM 24 OG SER A 3 -2.703 17.602 -9.130 1.00 0.00 O ATOM 0 H SER A 3 -1.349 15.477 -7.168 1.00 0.00 H new ATOM 0 HA SER A 3 -4.045 15.401 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.367 16.114 -9.634 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.902 16.054 -10.477 1.00 0.00 H new ATOM 0 HG SER A 3 -2.349 18.209 -9.813 1.00 0.00 H new ATOM 30 N GLY A 4 -3.769 13.059 -9.067 1.00 0.00 N ATOM 31 CA GLY A 4 -3.658 11.675 -9.496 1.00 0.00 C ATOM 32 C GLY A 4 -4.943 11.210 -10.184 1.00 0.00 C ATOM 33 O GLY A 4 -6.014 11.764 -9.947 1.00 0.00 O ATOM 0 H GLY A 4 -4.722 13.373 -8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.816 11.569 -10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.451 11.039 -8.635 1.00 0.00 H new ATOM 37 N SER A 5 -4.793 10.195 -11.023 1.00 0.00 N ATOM 38 CA SER A 5 -5.928 9.649 -11.747 1.00 0.00 C ATOM 39 C SER A 5 -6.849 8.896 -10.785 1.00 0.00 C ATOM 40 O SER A 5 -7.988 9.303 -10.565 1.00 0.00 O ATOM 41 CB SER A 5 -5.468 8.723 -12.875 1.00 0.00 C ATOM 42 OG SER A 5 -6.459 8.584 -13.890 1.00 0.00 O ATOM 0 H SER A 5 -3.903 9.737 -11.217 1.00 0.00 H new ATOM 0 HA SER A 5 -6.478 10.477 -12.194 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.551 9.115 -13.315 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.230 7.742 -12.464 1.00 0.00 H new ATOM 0 HG SER A 5 -6.126 7.987 -14.592 1.00 0.00 H new ATOM 48 N SER A 6 -6.320 7.811 -10.238 1.00 0.00 N ATOM 49 CA SER A 6 -7.081 6.997 -9.305 1.00 0.00 C ATOM 50 C SER A 6 -6.167 5.958 -8.652 1.00 0.00 C ATOM 51 O SER A 6 -5.369 5.314 -9.331 1.00 0.00 O ATOM 52 CB SER A 6 -8.254 6.308 -10.004 1.00 0.00 C ATOM 53 OG SER A 6 -9.477 6.486 -9.294 1.00 0.00 O ATOM 0 H SER A 6 -5.374 7.477 -10.423 1.00 0.00 H new ATOM 0 HA SER A 6 -7.487 7.651 -8.533 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.359 6.706 -11.013 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.043 5.243 -10.102 1.00 0.00 H new ATOM 0 HG SER A 6 -10.202 6.033 -9.773 1.00 0.00 H new ATOM 59 N GLY A 7 -6.315 5.826 -7.342 1.00 0.00 N ATOM 60 CA GLY A 7 -5.513 4.876 -6.590 1.00 0.00 C ATOM 61 C GLY A 7 -4.698 5.583 -5.506 1.00 0.00 C ATOM 62 O GLY A 7 -4.427 6.779 -5.609 1.00 0.00 O ATOM 0 H GLY A 7 -6.979 6.361 -6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.162 4.129 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.843 4.345 -7.266 1.00 0.00 H new ATOM 66 N GLU A 8 -4.330 4.815 -4.491 1.00 0.00 N ATOM 67 CA GLU A 8 -3.552 5.353 -3.389 1.00 0.00 C ATOM 68 C GLU A 8 -2.102 4.873 -3.479 1.00 0.00 C ATOM 69 O GLU A 8 -1.842 3.671 -3.490 1.00 0.00 O ATOM 70 CB GLU A 8 -4.172 4.974 -2.042 1.00 0.00 C ATOM 71 CG GLU A 8 -4.851 6.181 -1.392 1.00 0.00 C ATOM 72 CD GLU A 8 -5.193 5.895 0.072 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.892 4.885 0.304 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.748 6.693 0.924 1.00 0.00 O ATOM 0 H GLU A 8 -4.557 3.824 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.560 6.441 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.900 4.176 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.399 4.586 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.194 7.049 -1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.760 6.430 -1.940 1.00 0.00 H new ATOM 81 N GLU A 9 -1.195 5.837 -3.541 1.00 0.00 N ATOM 82 CA GLU A 9 0.222 5.528 -3.630 1.00 0.00 C ATOM 83 C GLU A 9 0.811 5.335 -2.231 1.00 0.00 C ATOM 84 O GLU A 9 0.721 6.225 -1.387 1.00 0.00 O ATOM 85 CB GLU A 9 0.974 6.617 -4.396 1.00 0.00 C ATOM 86 CG GLU A 9 1.674 6.038 -5.627 1.00 0.00 C ATOM 87 CD GLU A 9 1.246 6.774 -6.898 1.00 0.00 C ATOM 88 OE1 GLU A 9 0.039 7.083 -6.996 1.00 0.00 O ATOM 89 OE2 GLU A 9 2.136 7.010 -7.744 1.00 0.00 O ATOM 0 H GLU A 9 -1.414 6.833 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 9 0.337 4.596 -4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.278 7.398 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.709 7.085 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.754 6.114 -5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.438 4.978 -5.719 1.00 0.00 H new ATOM 96 N PHE A 10 1.402 4.166 -2.029 1.00 0.00 N ATOM 97 CA PHE A 10 2.007 3.845 -0.748 1.00 0.00 C ATOM 98 C PHE A 10 3.378 3.193 -0.936 1.00 0.00 C ATOM 99 O PHE A 10 3.735 2.799 -2.046 1.00 0.00 O ATOM 100 CB PHE A 10 1.075 2.852 -0.050 1.00 0.00 C ATOM 101 CG PHE A 10 -0.048 3.512 0.754 1.00 0.00 C ATOM 102 CD1 PHE A 10 -1.008 4.232 0.115 1.00 0.00 C ATOM 103 CD2 PHE A 10 -0.084 3.378 2.107 1.00 0.00 C ATOM 104 CE1 PHE A 10 -2.050 4.844 0.861 1.00 0.00 C ATOM 105 CE2 PHE A 10 -1.126 3.991 2.852 1.00 0.00 C ATOM 106 CZ PHE A 10 -2.087 4.711 2.214 1.00 0.00 C ATOM 0 H PHE A 10 1.474 3.430 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 10 2.145 4.755 -0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.634 2.195 -0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.665 2.223 0.617 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.978 4.338 -0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.679 2.806 2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.813 5.415 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.155 3.885 3.926 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.879 5.177 2.781 1.00 0.00 H new ATOM 116 N VAL A 11 4.109 3.098 0.165 1.00 0.00 N ATOM 117 CA VAL A 11 5.433 2.501 0.134 1.00 0.00 C ATOM 118 C VAL A 11 5.504 1.374 1.168 1.00 0.00 C ATOM 119 O VAL A 11 4.952 1.494 2.260 1.00 0.00 O ATOM 120 CB VAL A 11 6.499 3.578 0.351 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.759 2.983 0.982 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.828 4.295 -0.960 1.00 0.00 C ATOM 0 H VAL A 11 3.809 3.424 1.084 1.00 0.00 H new ATOM 0 HA VAL A 11 5.630 2.060 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 11 6.094 4.316 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.500 3.769 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.509 2.540 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.167 2.215 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.588 5.055 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.203 3.573 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.928 4.768 -1.352 1.00 0.00 H new ATOM 132 N ALA A 12 6.187 0.305 0.785 1.00 0.00 N ATOM 133 CA ALA A 12 6.336 -0.841 1.665 1.00 0.00 C ATOM 134 C ALA A 12 7.309 -0.491 2.792 1.00 0.00 C ATOM 135 O ALA A 12 8.477 -0.199 2.540 1.00 0.00 O ATOM 136 CB ALA A 12 6.798 -2.052 0.851 1.00 0.00 C ATOM 0 H ALA A 12 6.643 0.209 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 12 5.381 -1.100 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.910 -2.912 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.058 -2.278 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.755 -1.830 0.379 1.00 0.00 H new ATOM 142 N ILE A 13 6.792 -0.531 4.011 1.00 0.00 N ATOM 143 CA ILE A 13 7.601 -0.222 5.178 1.00 0.00 C ATOM 144 C ILE A 13 8.676 -1.297 5.348 1.00 0.00 C ATOM 145 O ILE A 13 9.624 -1.117 6.111 1.00 0.00 O ATOM 146 CB ILE A 13 6.714 -0.038 6.411 1.00 0.00 C ATOM 147 CG1 ILE A 13 5.842 -1.272 6.648 1.00 0.00 C ATOM 148 CG2 ILE A 13 5.881 1.241 6.302 1.00 0.00 C ATOM 149 CD1 ILE A 13 5.690 -1.558 8.143 1.00 0.00 C ATOM 0 H ILE A 13 5.823 -0.773 4.216 1.00 0.00 H new ATOM 0 HA ILE A 13 8.119 0.727 5.042 1.00 0.00 H new ATOM 0 HB ILE A 13 7.359 0.072 7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.859 -1.118 6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.285 -2.136 6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.260 1.347 7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.545 2.101 6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.244 1.186 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.065 -2.440 8.283 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.672 -1.735 8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.224 -0.702 8.632 1.00 0.00 H new ATOM 161 N ALA A 14 8.492 -2.392 4.625 1.00 0.00 N ATOM 162 CA ALA A 14 9.434 -3.496 4.686 1.00 0.00 C ATOM 163 C ALA A 14 9.171 -4.451 3.520 1.00 0.00 C ATOM 164 O ALA A 14 8.050 -4.533 3.021 1.00 0.00 O ATOM 165 CB ALA A 14 9.319 -4.190 6.045 1.00 0.00 C ATOM 0 H ALA A 14 7.704 -2.538 3.994 1.00 0.00 H new ATOM 0 HA ALA A 14 10.457 -3.133 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.026 -5.019 6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.544 -3.477 6.838 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.306 -4.570 6.175 1.00 0.00 H new ATOM 171 N ASP A 15 10.223 -5.149 3.119 1.00 0.00 N ATOM 172 CA ASP A 15 10.120 -6.094 2.021 1.00 0.00 C ATOM 173 C ASP A 15 9.185 -7.236 2.423 1.00 0.00 C ATOM 174 O ASP A 15 9.160 -7.643 3.583 1.00 0.00 O ATOM 175 CB ASP A 15 11.485 -6.697 1.683 1.00 0.00 C ATOM 176 CG ASP A 15 11.957 -7.801 2.632 1.00 0.00 C ATOM 177 OD1 ASP A 15 12.149 -7.481 3.825 1.00 0.00 O ATOM 178 OD2 ASP A 15 12.115 -8.940 2.143 1.00 0.00 O ATOM 0 H ASP A 15 11.152 -5.079 3.535 1.00 0.00 H new ATOM 0 HA ASP A 15 9.737 -5.560 1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.447 -7.100 0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.227 -5.899 1.680 1.00 0.00 H new ATOM 183 N TYR A 16 8.439 -7.721 1.441 1.00 0.00 N ATOM 184 CA TYR A 16 7.505 -8.809 1.678 1.00 0.00 C ATOM 185 C TYR A 16 7.646 -9.895 0.610 1.00 0.00 C ATOM 186 O TYR A 16 8.281 -9.679 -0.421 1.00 0.00 O ATOM 187 CB TYR A 16 6.108 -8.193 1.580 1.00 0.00 C ATOM 188 CG TYR A 16 4.984 -9.220 1.432 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.426 -9.799 2.554 1.00 0.00 C ATOM 190 CD2 TYR A 16 4.528 -9.569 0.177 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.368 -10.766 2.415 1.00 0.00 C ATOM 192 CE2 TYR A 16 3.470 -10.536 0.038 1.00 0.00 C ATOM 193 CZ TYR A 16 2.943 -11.087 1.164 1.00 0.00 C ATOM 194 OH TYR A 16 1.944 -12.000 1.033 1.00 0.00 O ATOM 0 H TYR A 16 8.462 -7.381 0.480 1.00 0.00 H new ATOM 0 HA TYR A 16 7.692 -9.271 2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.923 -7.593 2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.080 -7.514 0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.783 -9.527 3.536 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.965 -9.117 -0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.922 -11.226 3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.103 -10.817 -0.938 1.00 0.00 H new ATOM 0 HH TYR A 16 1.828 -12.481 1.879 1.00 0.00 H new ATOM 204 N ALA A 17 7.044 -11.041 0.894 1.00 0.00 N ATOM 205 CA ALA A 17 7.094 -12.162 -0.029 1.00 0.00 C ATOM 206 C ALA A 17 5.724 -12.841 -0.075 1.00 0.00 C ATOM 207 O ALA A 17 5.297 -13.452 0.903 1.00 0.00 O ATOM 208 CB ALA A 17 8.207 -13.122 0.395 1.00 0.00 C ATOM 0 H ALA A 17 6.519 -11.217 1.751 1.00 0.00 H new ATOM 0 HA ALA A 17 7.325 -11.819 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.245 -13.963 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.163 -12.599 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.007 -13.489 1.402 1.00 0.00 H new ATOM 214 N ALA A 18 5.074 -12.712 -1.222 1.00 0.00 N ATOM 215 CA ALA A 18 3.761 -13.306 -1.409 1.00 0.00 C ATOM 216 C ALA A 18 3.834 -14.802 -1.097 1.00 0.00 C ATOM 217 O ALA A 18 4.633 -15.525 -1.690 1.00 0.00 O ATOM 218 CB ALA A 18 3.273 -13.030 -2.832 1.00 0.00 C ATOM 0 H ALA A 18 5.432 -12.205 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 18 3.038 -12.861 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.288 -13.476 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.210 -11.954 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.972 -13.464 -3.547 1.00 0.00 H new ATOM 224 N THR A 19 2.988 -15.222 -0.167 1.00 0.00 N ATOM 225 CA THR A 19 2.947 -16.619 0.230 1.00 0.00 C ATOM 226 C THR A 19 1.990 -17.402 -0.671 1.00 0.00 C ATOM 227 O THR A 19 1.933 -18.629 -0.605 1.00 0.00 O ATOM 228 CB THR A 19 2.571 -16.678 1.712 1.00 0.00 C ATOM 229 OG1 THR A 19 3.812 -16.905 2.376 1.00 0.00 O ATOM 230 CG2 THR A 19 1.734 -17.912 2.055 1.00 0.00 C ATOM 0 H THR A 19 2.326 -14.620 0.322 1.00 0.00 H new ATOM 0 HA THR A 19 3.920 -17.094 0.107 1.00 0.00 H new ATOM 0 HB THR A 19 2.019 -15.778 1.982 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.661 -16.955 3.343 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.494 -17.905 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.811 -17.898 1.475 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.299 -18.813 1.816 1.00 0.00 H new ATOM 238 N ASP A 20 1.262 -16.660 -1.492 1.00 0.00 N ATOM 239 CA ASP A 20 0.310 -17.269 -2.406 1.00 0.00 C ATOM 240 C ASP A 20 0.468 -16.643 -3.793 1.00 0.00 C ATOM 241 O ASP A 20 1.196 -15.664 -3.957 1.00 0.00 O ATOM 242 CB ASP A 20 -1.129 -17.031 -1.942 1.00 0.00 C ATOM 243 CG ASP A 20 -1.852 -18.272 -1.415 1.00 0.00 C ATOM 244 OD1 ASP A 20 -1.373 -19.383 -1.728 1.00 0.00 O ATOM 245 OD2 ASP A 20 -2.867 -18.081 -0.711 1.00 0.00 O ATOM 0 H ASP A 20 1.312 -15.643 -1.544 1.00 0.00 H new ATOM 0 HA ASP A 20 0.508 -18.340 -2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.122 -16.273 -1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.701 -16.622 -2.775 1.00 0.00 H new ATOM 250 N GLU A 21 -0.224 -17.233 -4.756 1.00 0.00 N ATOM 251 CA GLU A 21 -0.169 -16.746 -6.124 1.00 0.00 C ATOM 252 C GLU A 21 -1.266 -15.706 -6.362 1.00 0.00 C ATOM 253 O GLU A 21 -1.611 -15.414 -7.505 1.00 0.00 O ATOM 254 CB GLU A 21 -0.281 -17.900 -7.122 1.00 0.00 C ATOM 255 CG GLU A 21 -1.599 -18.656 -6.940 1.00 0.00 C ATOM 256 CD GLU A 21 -1.348 -20.144 -6.687 1.00 0.00 C ATOM 257 OE1 GLU A 21 -1.268 -20.884 -7.691 1.00 0.00 O ATOM 258 OE2 GLU A 21 -1.241 -20.507 -5.496 1.00 0.00 O ATOM 0 H GLU A 21 -0.826 -18.044 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 21 0.798 -16.267 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.217 -17.513 -8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.557 -18.584 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.154 -18.230 -6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.218 -18.534 -7.829 1.00 0.00 H new ATOM 265 N THR A 22 -1.783 -15.177 -5.263 1.00 0.00 N ATOM 266 CA THR A 22 -2.834 -14.176 -5.337 1.00 0.00 C ATOM 267 C THR A 22 -2.397 -12.891 -4.632 1.00 0.00 C ATOM 268 O THR A 22 -3.139 -11.910 -4.605 1.00 0.00 O ATOM 269 CB THR A 22 -4.110 -14.786 -4.753 1.00 0.00 C ATOM 270 OG1 THR A 22 -3.788 -15.019 -3.384 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.400 -16.181 -5.310 1.00 0.00 C ATOM 0 H THR A 22 -1.494 -15.423 -4.316 1.00 0.00 H new ATOM 0 HA THR A 22 -3.036 -13.890 -6.369 1.00 0.00 H new ATOM 0 HB THR A 22 -4.955 -14.129 -4.961 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.561 -15.413 -2.928 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.316 -16.568 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.521 -16.123 -6.392 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.571 -16.847 -5.073 1.00 0.00 H new ATOM 279 N GLN A 23 -1.193 -12.936 -4.080 1.00 0.00 N ATOM 280 CA GLN A 23 -0.649 -11.787 -3.377 1.00 0.00 C ATOM 281 C GLN A 23 0.435 -11.113 -4.221 1.00 0.00 C ATOM 282 O GLN A 23 0.964 -11.715 -5.155 1.00 0.00 O ATOM 283 CB GLN A 23 -0.103 -12.191 -2.006 1.00 0.00 C ATOM 284 CG GLN A 23 -1.239 -12.570 -1.053 1.00 0.00 C ATOM 285 CD GLN A 23 -0.690 -13.067 0.285 1.00 0.00 C ATOM 286 OE1 GLN A 23 -0.378 -14.233 0.463 1.00 0.00 O ATOM 287 NE2 GLN A 23 -0.589 -12.120 1.214 1.00 0.00 N ATOM 0 H GLN A 23 -0.579 -13.750 -4.106 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.454 -11.071 -3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.580 -13.033 -2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.472 -11.368 -1.583 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.883 -11.706 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.856 -13.345 -1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.868 -11.163 0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.233 -12.351 2.141 1.00 0.00 H new ATOM 296 N LEU A 24 0.733 -9.873 -3.863 1.00 0.00 N ATOM 297 CA LEU A 24 1.744 -9.111 -4.576 1.00 0.00 C ATOM 298 C LEU A 24 3.024 -9.061 -3.739 1.00 0.00 C ATOM 299 O LEU A 24 2.966 -9.037 -2.511 1.00 0.00 O ATOM 300 CB LEU A 24 1.204 -7.731 -4.958 1.00 0.00 C ATOM 301 CG LEU A 24 0.185 -7.701 -6.098 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.122 -6.263 -6.521 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.655 -8.557 -7.276 1.00 0.00 C ATOM 0 H LEU A 24 0.292 -9.377 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 24 1.997 -9.600 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.745 -7.285 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.047 -7.097 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.746 -8.136 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.849 -6.270 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.530 -5.714 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.795 -5.780 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.088 -8.518 -8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.606 -8.175 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.782 -9.589 -6.948 1.00 0.00 H new ATOM 315 N SER A 25 4.149 -9.046 -4.438 1.00 0.00 N ATOM 316 CA SER A 25 5.441 -9.000 -3.774 1.00 0.00 C ATOM 317 C SER A 25 6.195 -7.733 -4.185 1.00 0.00 C ATOM 318 O SER A 25 6.322 -7.440 -5.373 1.00 0.00 O ATOM 319 CB SER A 25 6.273 -10.242 -4.100 1.00 0.00 C ATOM 320 OG SER A 25 6.304 -10.512 -5.499 1.00 0.00 O ATOM 0 H SER A 25 4.193 -9.065 -5.457 1.00 0.00 H new ATOM 0 HA SER A 25 5.272 -8.982 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.291 -10.103 -3.735 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.861 -11.103 -3.574 1.00 0.00 H new ATOM 0 HG SER A 25 6.846 -11.311 -5.666 1.00 0.00 H new ATOM 326 N PHE A 26 6.676 -7.017 -3.180 1.00 0.00 N ATOM 327 CA PHE A 26 7.414 -5.789 -3.422 1.00 0.00 C ATOM 328 C PHE A 26 8.593 -5.658 -2.455 1.00 0.00 C ATOM 329 O PHE A 26 8.819 -6.536 -1.624 1.00 0.00 O ATOM 330 CB PHE A 26 6.444 -4.630 -3.185 1.00 0.00 C ATOM 331 CG PHE A 26 5.502 -4.839 -1.998 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.877 -4.439 -0.753 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.290 -5.426 -2.187 1.00 0.00 C ATOM 334 CE1 PHE A 26 5.003 -4.634 0.349 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.415 -5.620 -1.085 1.00 0.00 C ATOM 336 CZ PHE A 26 3.790 -5.221 0.159 1.00 0.00 C ATOM 0 H PHE A 26 6.569 -7.264 -2.196 1.00 0.00 H new ATOM 0 HA PHE A 26 7.810 -5.787 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.017 -3.717 -3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.849 -4.478 -4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.840 -3.973 -0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.993 -5.745 -3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.301 -4.317 1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.452 -6.085 -1.236 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.125 -5.370 0.997 1.00 0.00 H new ATOM 346 N LEU A 27 9.313 -4.554 -2.597 1.00 0.00 N ATOM 347 CA LEU A 27 10.462 -4.297 -1.746 1.00 0.00 C ATOM 348 C LEU A 27 10.289 -2.942 -1.057 1.00 0.00 C ATOM 349 O LEU A 27 9.773 -1.999 -1.656 1.00 0.00 O ATOM 350 CB LEU A 27 11.760 -4.417 -2.548 1.00 0.00 C ATOM 351 CG LEU A 27 12.779 -3.294 -2.347 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.501 -3.442 -1.007 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.758 -3.225 -3.521 1.00 0.00 C ATOM 0 H LEU A 27 9.123 -3.828 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 27 10.529 -5.049 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.236 -5.363 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.506 -4.465 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 27 12.241 -2.346 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.220 -2.631 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.774 -3.403 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.025 -4.398 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.472 -2.418 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.293 -4.171 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.208 -3.036 -4.443 1.00 0.00 H new ATOM 365 N ARG A 28 10.728 -2.889 0.192 1.00 0.00 N ATOM 366 CA ARG A 28 10.628 -1.665 0.968 1.00 0.00 C ATOM 367 C ARG A 28 10.956 -0.453 0.094 1.00 0.00 C ATOM 368 O ARG A 28 12.007 -0.409 -0.543 1.00 0.00 O ATOM 369 CB ARG A 28 11.579 -1.693 2.166 1.00 0.00 C ATOM 370 CG ARG A 28 11.533 -0.371 2.935 1.00 0.00 C ATOM 371 CD ARG A 28 12.613 -0.328 4.017 1.00 0.00 C ATOM 372 NE ARG A 28 13.406 0.916 3.892 1.00 0.00 N ATOM 373 CZ ARG A 28 14.425 1.074 3.037 1.00 0.00 C ATOM 374 NH1 ARG A 28 14.782 0.068 2.227 1.00 0.00 N ATOM 375 NH2 ARG A 28 15.088 2.238 2.992 1.00 0.00 N ATOM 0 H ARG A 28 11.154 -3.674 0.686 1.00 0.00 H new ATOM 0 HA ARG A 28 9.604 -1.587 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.308 -2.514 2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.596 -1.883 1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.672 0.461 2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.551 -0.246 3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.153 -0.378 5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.266 -1.196 3.925 1.00 0.00 H new ATOM 0 HE ARG A 28 13.161 1.702 4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.278 -0.818 2.261 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.558 0.188 1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.817 3.004 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.864 2.358 2.341 1.00 0.00 H new ATOM 389 N GLY A 29 10.037 0.501 0.092 1.00 0.00 N ATOM 390 CA GLY A 29 10.215 1.711 -0.694 1.00 0.00 C ATOM 391 C GLY A 29 9.399 1.650 -1.986 1.00 0.00 C ATOM 392 O GLY A 29 9.041 2.685 -2.547 1.00 0.00 O ATOM 0 H GLY A 29 9.166 0.461 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.910 2.578 -0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.271 1.842 -0.932 1.00 0.00 H new ATOM 396 N GLU A 30 9.128 0.429 -2.421 1.00 0.00 N ATOM 397 CA GLU A 30 8.360 0.220 -3.637 1.00 0.00 C ATOM 398 C GLU A 30 7.034 0.978 -3.564 1.00 0.00 C ATOM 399 O GLU A 30 6.327 0.904 -2.560 1.00 0.00 O ATOM 400 CB GLU A 30 8.126 -1.271 -3.888 1.00 0.00 C ATOM 401 CG GLU A 30 9.293 -1.886 -4.663 1.00 0.00 C ATOM 402 CD GLU A 30 8.810 -3.012 -5.580 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.830 -2.764 -6.315 1.00 0.00 O ATOM 404 OE2 GLU A 30 9.431 -4.095 -5.525 1.00 0.00 O ATOM 0 H GLU A 30 9.427 -0.427 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 30 8.934 0.611 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.003 -1.789 -2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.201 -1.408 -4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.786 -1.116 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.034 -2.274 -3.964 1.00 0.00 H new ATOM 411 N LYS A 31 6.736 1.691 -4.641 1.00 0.00 N ATOM 412 CA LYS A 31 5.507 2.462 -4.711 1.00 0.00 C ATOM 413 C LYS A 31 4.334 1.521 -4.994 1.00 0.00 C ATOM 414 O LYS A 31 4.089 1.157 -6.143 1.00 0.00 O ATOM 415 CB LYS A 31 5.644 3.597 -5.729 1.00 0.00 C ATOM 416 CG LYS A 31 6.271 4.836 -5.087 1.00 0.00 C ATOM 417 CD LYS A 31 7.798 4.780 -5.163 1.00 0.00 C ATOM 418 CE LYS A 31 8.433 5.670 -4.092 1.00 0.00 C ATOM 419 NZ LYS A 31 9.726 6.209 -4.568 1.00 0.00 N ATOM 0 H LYS A 31 7.325 1.751 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 31 5.305 2.944 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.258 3.267 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.663 3.849 -6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.911 5.733 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.958 4.908 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.135 3.752 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.129 5.101 -6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.759 6.490 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.585 5.097 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.144 6.811 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.373 5.423 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.572 6.773 -5.428 1.00 0.00 H new ATOM 433 N ILE A 32 3.641 1.153 -3.927 1.00 0.00 N ATOM 434 CA ILE A 32 2.501 0.261 -4.046 1.00 0.00 C ATOM 435 C ILE A 32 1.225 1.090 -4.203 1.00 0.00 C ATOM 436 O ILE A 32 1.051 2.104 -3.529 1.00 0.00 O ATOM 437 CB ILE A 32 2.458 -0.715 -2.868 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.855 -1.254 -2.552 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.453 -1.840 -3.124 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.265 -2.334 -3.555 1.00 0.00 C ATOM 0 H ILE A 32 3.847 1.457 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 32 2.593 -0.357 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 32 2.115 -0.173 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.577 -0.438 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.870 -1.665 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.442 -2.519 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.459 -1.415 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.741 -2.388 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.261 -2.700 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.554 -3.159 -3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.272 -1.913 -4.560 1.00 0.00 H new ATOM 452 N LEU A 33 0.364 0.628 -5.098 1.00 0.00 N ATOM 453 CA LEU A 33 -0.891 1.315 -5.353 1.00 0.00 C ATOM 454 C LEU A 33 -2.022 0.588 -4.622 1.00 0.00 C ATOM 455 O LEU A 33 -2.299 -0.577 -4.902 1.00 0.00 O ATOM 456 CB LEU A 33 -1.126 1.461 -6.858 1.00 0.00 C ATOM 457 CG LEU A 33 -1.487 2.865 -7.347 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.721 3.399 -6.617 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.293 3.813 -7.224 1.00 0.00 C ATOM 0 H LEU A 33 0.511 -0.213 -5.655 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.856 2.331 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.226 1.136 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.926 0.780 -7.149 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.740 2.803 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.956 4.398 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.567 2.737 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.520 3.443 -5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.577 4.804 -7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.016 3.876 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.534 3.436 -7.825 1.00 0.00 H new ATOM 471 N ILE A 34 -2.645 1.307 -3.700 1.00 0.00 N ATOM 472 CA ILE A 34 -3.740 0.746 -2.927 1.00 0.00 C ATOM 473 C ILE A 34 -5.065 1.063 -3.623 1.00 0.00 C ATOM 474 O ILE A 34 -5.780 1.979 -3.218 1.00 0.00 O ATOM 475 CB ILE A 34 -3.676 1.231 -1.477 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.272 1.043 -0.898 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.744 0.546 -0.622 1.00 0.00 C ATOM 478 CD1 ILE A 34 -1.868 -0.432 -0.906 1.00 0.00 C ATOM 0 H ILE A 34 -2.412 2.273 -3.471 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.656 -0.340 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.890 2.300 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.555 1.623 -1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.241 1.427 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.677 0.909 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.732 0.773 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.586 -0.532 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.866 -0.537 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.573 -1.006 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.876 -0.806 -1.930 1.00 0.00 H new ATOM 490 N LEU A 35 -5.354 0.288 -4.658 1.00 0.00 N ATOM 491 CA LEU A 35 -6.581 0.474 -5.414 1.00 0.00 C ATOM 492 C LEU A 35 -7.750 0.654 -4.443 1.00 0.00 C ATOM 493 O LEU A 35 -8.330 1.735 -4.359 1.00 0.00 O ATOM 494 CB LEU A 35 -6.777 -0.672 -6.408 1.00 0.00 C ATOM 495 CG LEU A 35 -6.267 -0.422 -7.829 1.00 0.00 C ATOM 496 CD1 LEU A 35 -4.779 -0.067 -7.823 1.00 0.00 C ATOM 497 CD2 LEU A 35 -6.569 -1.615 -8.737 1.00 0.00 C ATOM 0 H LEU A 35 -4.759 -0.471 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.524 1.380 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.278 -1.557 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.841 -0.903 -6.460 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.800 0.436 -8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.442 0.106 -8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.623 0.835 -7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.211 -0.889 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.196 -1.412 -9.741 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.080 -2.506 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.646 -1.779 -8.776 1.00 0.00 H new ATOM 509 N ARG A 36 -8.061 -0.422 -3.736 1.00 0.00 N ATOM 510 CA ARG A 36 -9.151 -0.397 -2.775 1.00 0.00 C ATOM 511 C ARG A 36 -8.718 -1.057 -1.464 1.00 0.00 C ATOM 512 O ARG A 36 -7.637 -1.639 -1.386 1.00 0.00 O ATOM 513 CB ARG A 36 -10.383 -1.122 -3.321 1.00 0.00 C ATOM 514 CG ARG A 36 -10.988 -0.362 -4.503 1.00 0.00 C ATOM 515 CD ARG A 36 -11.988 -1.235 -5.262 1.00 0.00 C ATOM 516 NE ARG A 36 -13.090 -0.401 -5.790 1.00 0.00 N ATOM 517 CZ ARG A 36 -13.946 -0.800 -6.741 1.00 0.00 C ATOM 518 NH1 ARG A 36 -13.833 -2.025 -7.273 1.00 0.00 N ATOM 519 NH2 ARG A 36 -14.916 0.025 -7.159 1.00 0.00 N ATOM 0 H ARG A 36 -7.577 -1.317 -3.809 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.409 0.646 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.108 -2.129 -3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.127 -1.226 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.485 0.539 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.195 -0.041 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.486 -1.749 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.388 -2.004 -4.600 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.206 0.537 -5.406 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.096 -2.653 -6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.484 -2.329 -7.997 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.003 0.957 -6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.567 -0.279 -7.883 1.00 0.00 H new ATOM 533 N GLN A 37 -9.584 -0.945 -0.468 1.00 0.00 N ATOM 534 CA GLN A 37 -9.305 -1.523 0.835 1.00 0.00 C ATOM 535 C GLN A 37 -10.509 -2.328 1.327 1.00 0.00 C ATOM 536 O GLN A 37 -11.148 -1.959 2.312 1.00 0.00 O ATOM 537 CB GLN A 37 -8.920 -0.440 1.845 1.00 0.00 C ATOM 538 CG GLN A 37 -7.614 0.246 1.441 1.00 0.00 C ATOM 539 CD GLN A 37 -7.254 1.362 2.424 1.00 0.00 C ATOM 540 OE1 GLN A 37 -8.099 1.925 3.100 1.00 0.00 O ATOM 541 NE2 GLN A 37 -5.955 1.648 2.466 1.00 0.00 N ATOM 0 H GLN A 37 -10.480 -0.462 -0.537 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.456 -2.199 0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.718 0.300 1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.811 -0.883 2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.809 -0.488 1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.711 0.658 0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.301 1.138 1.873 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.613 2.378 3.092 1.00 0.00 H new ATOM 550 N THR A 38 -10.784 -3.415 0.620 1.00 0.00 N ATOM 551 CA THR A 38 -11.900 -4.275 0.973 1.00 0.00 C ATOM 552 C THR A 38 -12.024 -4.392 2.493 1.00 0.00 C ATOM 553 O THR A 38 -13.130 -4.390 3.032 1.00 0.00 O ATOM 554 CB THR A 38 -11.698 -5.621 0.274 1.00 0.00 C ATOM 555 OG1 THR A 38 -12.161 -5.396 -1.055 1.00 0.00 O ATOM 556 CG2 THR A 38 -12.631 -6.707 0.814 1.00 0.00 C ATOM 0 H THR A 38 -10.253 -3.719 -0.196 1.00 0.00 H new ATOM 0 HA THR A 38 -12.847 -3.854 0.633 1.00 0.00 H new ATOM 0 HB THR A 38 -10.662 -5.939 0.393 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.064 -6.219 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.447 -7.642 0.284 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.445 -6.850 1.878 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.667 -6.404 0.665 1.00 0.00 H new ATOM 564 N THR A 39 -10.873 -4.491 3.142 1.00 0.00 N ATOM 565 CA THR A 39 -10.839 -4.609 4.590 1.00 0.00 C ATOM 566 C THR A 39 -9.757 -3.697 5.174 1.00 0.00 C ATOM 567 O THR A 39 -9.039 -3.027 4.433 1.00 0.00 O ATOM 568 CB THR A 39 -10.642 -6.085 4.940 1.00 0.00 C ATOM 569 OG1 THR A 39 -9.402 -6.426 4.326 1.00 0.00 O ATOM 570 CG2 THR A 39 -11.662 -6.992 4.248 1.00 0.00 C ATOM 0 H THR A 39 -9.958 -4.492 2.692 1.00 0.00 H new ATOM 0 HA THR A 39 -11.777 -4.277 5.036 1.00 0.00 H new ATOM 0 HB THR A 39 -10.715 -6.214 6.020 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.989 -5.619 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.478 -8.029 4.530 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.669 -6.706 4.553 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.567 -6.888 3.167 1.00 0.00 H new ATOM 578 N ALA A 40 -9.675 -3.702 6.496 1.00 0.00 N ATOM 579 CA ALA A 40 -8.693 -2.884 7.187 1.00 0.00 C ATOM 580 C ALA A 40 -7.429 -3.710 7.434 1.00 0.00 C ATOM 581 O ALA A 40 -6.438 -3.196 7.949 1.00 0.00 O ATOM 582 CB ALA A 40 -9.300 -2.345 8.484 1.00 0.00 C ATOM 0 H ALA A 40 -10.272 -4.259 7.107 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.411 -2.026 6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.564 -1.731 9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.177 -1.741 8.252 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.592 -3.178 9.123 1.00 0.00 H new ATOM 588 N ASP A 41 -7.506 -4.977 7.054 1.00 0.00 N ATOM 589 CA ASP A 41 -6.380 -5.880 7.227 1.00 0.00 C ATOM 590 C ASP A 41 -5.857 -6.304 5.854 1.00 0.00 C ATOM 591 O ASP A 41 -4.652 -6.473 5.670 1.00 0.00 O ATOM 592 CB ASP A 41 -6.798 -7.141 7.985 1.00 0.00 C ATOM 593 CG ASP A 41 -6.753 -7.025 9.509 1.00 0.00 C ATOM 594 OD1 ASP A 41 -5.996 -6.154 9.990 1.00 0.00 O ATOM 595 OD2 ASP A 41 -7.477 -7.809 10.160 1.00 0.00 O ATOM 0 H ASP A 41 -8.330 -5.400 6.627 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.611 -5.356 7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.812 -7.407 7.686 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.150 -7.962 7.679 1.00 0.00 H new ATOM 600 N TRP A 42 -6.787 -6.465 4.924 1.00 0.00 N ATOM 601 CA TRP A 42 -6.435 -6.867 3.573 1.00 0.00 C ATOM 602 C TRP A 42 -6.745 -5.698 2.636 1.00 0.00 C ATOM 603 O TRP A 42 -7.865 -5.191 2.621 1.00 0.00 O ATOM 604 CB TRP A 42 -7.156 -8.157 3.179 1.00 0.00 C ATOM 605 CG TRP A 42 -6.551 -9.421 3.794 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.939 -10.065 4.903 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.429 -10.172 3.285 1.00 0.00 C ATOM 608 NE1 TRP A 42 -6.151 -11.172 5.146 1.00 0.00 N ATOM 609 CE2 TRP A 42 -5.204 -11.239 4.131 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.630 -9.957 2.148 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -4.182 -12.175 3.929 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.614 -10.901 1.960 1.00 0.00 C ATOM 613 CH2 TRP A 42 -3.374 -11.981 2.802 1.00 0.00 C ATOM 0 H TRP A 42 -7.785 -6.324 5.080 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.372 -7.096 3.504 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.201 -8.083 3.480 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.143 -8.251 2.093 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.764 -9.757 5.528 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.246 -11.821 5.927 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.788 -9.129 1.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.026 -13.002 4.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.971 -10.782 1.100 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.568 -12.667 2.588 1.00 0.00 H new ATOM 624 N TRP A 43 -5.733 -5.304 1.878 1.00 0.00 N ATOM 625 CA TRP A 43 -5.883 -4.204 0.940 1.00 0.00 C ATOM 626 C TRP A 43 -5.744 -4.767 -0.476 1.00 0.00 C ATOM 627 O TRP A 43 -5.018 -5.736 -0.693 1.00 0.00 O ATOM 628 CB TRP A 43 -4.883 -3.087 1.240 1.00 0.00 C ATOM 629 CG TRP A 43 -5.210 -2.279 2.498 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.172 -2.513 3.401 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.532 -1.090 2.957 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.164 -1.566 4.405 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.135 -0.673 4.126 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.446 -0.391 2.403 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -4.722 0.457 4.841 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.045 0.737 3.129 1.00 0.00 C ATOM 637 CH2 TRP A 43 -3.641 1.170 4.307 1.00 0.00 C ATOM 0 H TRP A 43 -4.805 -5.727 1.894 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.867 -3.746 1.037 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.890 -3.522 1.348 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.843 -2.410 0.386 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.866 -3.339 3.350 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.796 -1.528 5.204 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.959 -0.699 1.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.210 0.763 5.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.214 1.311 2.746 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.272 2.052 4.809 1.00 0.00 H new ATOM 648 N TRP A 44 -6.450 -4.136 -1.402 1.00 0.00 N ATOM 649 CA TRP A 44 -6.414 -4.562 -2.790 1.00 0.00 C ATOM 650 C TRP A 44 -5.458 -3.637 -3.544 1.00 0.00 C ATOM 651 O TRP A 44 -5.794 -2.488 -3.827 1.00 0.00 O ATOM 652 CB TRP A 44 -7.821 -4.588 -3.393 1.00 0.00 C ATOM 653 CG TRP A 44 -7.845 -4.804 -4.907 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.910 -3.877 -5.872 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.802 -6.072 -5.595 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.912 -4.452 -7.127 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.844 -5.829 -6.953 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.729 -7.381 -5.087 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.819 -6.846 -7.915 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -7.705 -8.386 -6.061 1.00 0.00 C ATOM 661 CH2 TRP A 44 -7.747 -8.158 -7.432 1.00 0.00 C ATOM 0 H TRP A 44 -7.051 -3.332 -1.218 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.044 -5.584 -2.870 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.396 -5.381 -2.914 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.321 -3.647 -3.162 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.955 -2.813 -5.691 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.955 -3.957 -8.018 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.694 -7.594 -4.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.853 -6.630 -8.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -7.650 -9.411 -5.724 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.724 -8.989 -8.121 1.00 0.00 H new ATOM 672 N GLY A 45 -4.284 -4.171 -3.848 1.00 0.00 N ATOM 673 CA GLY A 45 -3.276 -3.407 -4.563 1.00 0.00 C ATOM 674 C GLY A 45 -3.231 -3.806 -6.040 1.00 0.00 C ATOM 675 O GLY A 45 -3.937 -4.722 -6.461 1.00 0.00 O ATOM 0 H GLY A 45 -4.008 -5.124 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.492 -2.342 -4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.299 -3.572 -4.108 1.00 0.00 H new ATOM 679 N GLU A 46 -2.395 -3.099 -6.786 1.00 0.00 N ATOM 680 CA GLU A 46 -2.249 -3.368 -8.206 1.00 0.00 C ATOM 681 C GLU A 46 -0.796 -3.163 -8.638 1.00 0.00 C ATOM 682 O GLU A 46 -0.249 -2.071 -8.491 1.00 0.00 O ATOM 683 CB GLU A 46 -3.195 -2.493 -9.030 1.00 0.00 C ATOM 684 CG GLU A 46 -2.969 -2.701 -10.529 1.00 0.00 C ATOM 685 CD GLU A 46 -3.653 -1.602 -11.344 1.00 0.00 C ATOM 686 OE1 GLU A 46 -3.265 -0.429 -11.153 1.00 0.00 O ATOM 687 OE2 GLU A 46 -4.548 -1.959 -12.140 1.00 0.00 O ATOM 0 H GLU A 46 -1.812 -2.340 -6.433 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.518 -4.408 -8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.228 -2.731 -8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.039 -1.444 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.900 -2.705 -10.742 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.357 -3.675 -10.827 1.00 0.00 H new ATOM 694 N ARG A 47 -0.212 -4.230 -9.164 1.00 0.00 N ATOM 695 CA ARG A 47 1.167 -4.180 -9.619 1.00 0.00 C ATOM 696 C ARG A 47 1.225 -3.784 -11.096 1.00 0.00 C ATOM 697 O ARG A 47 0.206 -3.432 -11.688 1.00 0.00 O ATOM 698 CB ARG A 47 1.857 -5.533 -9.433 1.00 0.00 C ATOM 699 CG ARG A 47 2.667 -5.561 -8.135 1.00 0.00 C ATOM 700 CD ARG A 47 4.157 -5.353 -8.413 1.00 0.00 C ATOM 701 NE ARG A 47 4.915 -6.571 -8.051 1.00 0.00 N ATOM 702 CZ ARG A 47 5.138 -7.594 -8.887 1.00 0.00 C ATOM 703 NH1 ARG A 47 4.663 -7.552 -10.139 1.00 0.00 N ATOM 704 NH2 ARG A 47 5.836 -8.660 -8.471 1.00 0.00 N ATOM 0 H ARG A 47 -0.669 -5.134 -9.285 1.00 0.00 H new ATOM 0 HA ARG A 47 1.688 -3.434 -9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.110 -6.327 -9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.514 -5.730 -10.280 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.307 -4.783 -7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.518 -6.515 -7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.309 -5.120 -9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.526 -4.502 -7.841 1.00 0.00 H new ATOM 0 HE ARG A 47 5.292 -6.636 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.132 -6.741 -10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.833 -8.331 -10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.198 -8.693 -7.518 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.006 -9.439 -9.108 1.00 0.00 H new ATOM 718 N ALA A 48 2.427 -3.857 -11.648 1.00 0.00 N ATOM 719 CA ALA A 48 2.631 -3.510 -13.045 1.00 0.00 C ATOM 720 C ALA A 48 1.849 -4.486 -13.927 1.00 0.00 C ATOM 721 O ALA A 48 2.268 -5.625 -14.122 1.00 0.00 O ATOM 722 CB ALA A 48 4.128 -3.513 -13.358 1.00 0.00 C ATOM 0 H ALA A 48 3.269 -4.151 -11.154 1.00 0.00 H new ATOM 0 HA ALA A 48 2.257 -2.507 -13.250 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.281 -3.253 -14.405 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.633 -2.783 -12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.538 -4.505 -13.167 1.00 0.00 H new ATOM 728 N GLY A 49 0.726 -4.002 -14.437 1.00 0.00 N ATOM 729 CA GLY A 49 -0.119 -4.816 -15.294 1.00 0.00 C ATOM 730 C GLY A 49 -0.650 -6.037 -14.540 1.00 0.00 C ATOM 731 O GLY A 49 -1.239 -6.934 -15.140 1.00 0.00 O ATOM 0 H GLY A 49 0.382 -3.056 -14.273 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.954 -4.219 -15.660 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.448 -5.141 -16.167 1.00 0.00 H new ATOM 735 N CYS A 50 -0.421 -6.033 -13.235 1.00 0.00 N ATOM 736 CA CYS A 50 -0.868 -7.129 -12.392 1.00 0.00 C ATOM 737 C CYS A 50 -1.930 -6.593 -11.430 1.00 0.00 C ATOM 738 O CYS A 50 -2.048 -5.383 -11.241 1.00 0.00 O ATOM 739 CB CYS A 50 0.298 -7.783 -11.649 1.00 0.00 C ATOM 740 SG CYS A 50 0.909 -9.228 -12.591 1.00 0.00 S ATOM 0 H CYS A 50 0.069 -5.287 -12.740 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.303 -7.913 -13.011 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.103 -7.061 -11.512 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.023 -8.096 -10.655 1.00 0.00 H new ATOM 0 HG CYS A 50 1.901 -9.775 -11.952 1.00 0.00 H new ATOM 746 N CYS A 51 -2.675 -7.519 -10.846 1.00 0.00 N ATOM 747 CA CYS A 51 -3.723 -7.155 -9.908 1.00 0.00 C ATOM 748 C CYS A 51 -3.848 -8.272 -8.869 1.00 0.00 C ATOM 749 O CYS A 51 -4.256 -9.385 -9.196 1.00 0.00 O ATOM 750 CB CYS A 51 -5.051 -6.886 -10.619 1.00 0.00 C ATOM 751 SG CYS A 51 -5.453 -8.276 -11.740 1.00 0.00 S ATOM 0 H CYS A 51 -2.574 -8.522 -11.004 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.459 -6.223 -9.408 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.847 -6.758 -9.885 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.988 -5.957 -11.186 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.125 -9.399 -11.173 1.00 0.00 H new ATOM 757 N GLY A 52 -3.488 -7.935 -7.639 1.00 0.00 N ATOM 758 CA GLY A 52 -3.554 -8.896 -6.551 1.00 0.00 C ATOM 759 C GLY A 52 -3.871 -8.201 -5.225 1.00 0.00 C ATOM 760 O GLY A 52 -3.978 -6.976 -5.172 1.00 0.00 O ATOM 0 H GLY A 52 -3.150 -7.010 -7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.318 -9.643 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.605 -9.426 -6.470 1.00 0.00 H new ATOM 764 N TYR A 53 -4.011 -9.012 -4.187 1.00 0.00 N ATOM 765 CA TYR A 53 -4.314 -8.491 -2.865 1.00 0.00 C ATOM 766 C TYR A 53 -3.032 -8.243 -2.067 1.00 0.00 C ATOM 767 O TYR A 53 -2.040 -8.948 -2.245 1.00 0.00 O ATOM 768 CB TYR A 53 -5.136 -9.573 -2.163 1.00 0.00 C ATOM 769 CG TYR A 53 -6.644 -9.320 -2.183 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.221 -8.508 -1.227 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.429 -9.903 -3.157 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.641 -8.270 -1.246 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.849 -9.664 -3.177 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.385 -8.860 -2.220 1.00 0.00 C ATOM 775 OH TYR A 53 -10.726 -8.634 -2.238 1.00 0.00 O ATOM 0 H TYR A 53 -3.920 -10.027 -4.235 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.847 -7.543 -2.939 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.933 -10.534 -2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.805 -9.652 -1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.607 -8.051 -0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.978 -10.539 -3.905 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.105 -7.637 -0.504 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.474 -10.113 -3.935 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.129 -9.118 -2.989 1.00 0.00 H new ATOM 785 N ILE A 54 -3.094 -7.239 -1.206 1.00 0.00 N ATOM 786 CA ILE A 54 -1.950 -6.889 -0.380 1.00 0.00 C ATOM 787 C ILE A 54 -2.403 -6.739 1.073 1.00 0.00 C ATOM 788 O ILE A 54 -3.557 -6.406 1.337 1.00 0.00 O ATOM 789 CB ILE A 54 -1.247 -5.649 -0.937 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.251 -4.530 -1.221 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.414 -5.999 -2.171 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.540 -3.189 -1.409 1.00 0.00 C ATOM 0 H ILE A 54 -3.918 -6.656 -1.062 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.206 -7.685 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.558 -5.278 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.825 -4.770 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.961 -4.457 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.075 -5.100 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.341 -6.738 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.064 -6.409 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.277 -2.411 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.987 -2.940 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.848 -3.258 -2.249 1.00 0.00 H new ATOM 804 N PRO A 55 -1.445 -6.998 2.003 1.00 0.00 N ATOM 805 CA PRO A 55 -1.733 -6.895 3.424 1.00 0.00 C ATOM 806 C PRO A 55 -1.812 -5.432 3.863 1.00 0.00 C ATOM 807 O PRO A 55 -1.436 -4.533 3.111 1.00 0.00 O ATOM 808 CB PRO A 55 -0.613 -7.661 4.109 1.00 0.00 C ATOM 809 CG PRO A 55 0.506 -7.768 3.086 1.00 0.00 C ATOM 810 CD PRO A 55 -0.067 -7.395 1.728 1.00 0.00 C ATOM 0 HA PRO A 55 -2.704 -7.315 3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.275 -7.140 5.005 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.951 -8.649 4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.329 -7.103 3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.909 -8.781 3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.496 -6.581 1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.028 -8.237 1.037 1.00 0.00 H new ATOM 818 N ALA A 56 -2.303 -5.237 5.078 1.00 0.00 N ATOM 819 CA ALA A 56 -2.436 -3.898 5.626 1.00 0.00 C ATOM 820 C ALA A 56 -1.512 -3.753 6.836 1.00 0.00 C ATOM 821 O ALA A 56 -1.928 -3.980 7.971 1.00 0.00 O ATOM 822 CB ALA A 56 -3.902 -3.633 5.976 1.00 0.00 C ATOM 0 H ALA A 56 -2.614 -5.984 5.699 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.136 -3.151 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.002 -2.629 6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.512 -3.720 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.237 -4.362 6.714 1.00 0.00 H new ATOM 828 N ASN A 57 -0.274 -3.375 6.553 1.00 0.00 N ATOM 829 CA ASN A 57 0.713 -3.197 7.604 1.00 0.00 C ATOM 830 C ASN A 57 2.102 -3.064 6.977 1.00 0.00 C ATOM 831 O ASN A 57 2.940 -2.310 7.469 1.00 0.00 O ATOM 832 CB ASN A 57 0.735 -4.400 8.550 1.00 0.00 C ATOM 833 CG ASN A 57 0.561 -3.958 10.004 1.00 0.00 C ATOM 834 OD1 ASN A 57 -0.452 -3.400 10.393 1.00 0.00 O ATOM 835 ND2 ASN A 57 1.602 -4.238 10.783 1.00 0.00 N ATOM 0 H ASN A 57 0.068 -3.187 5.611 1.00 0.00 H new ATOM 0 HA ASN A 57 0.448 -2.301 8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.061 -5.094 8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.677 -4.937 8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.583 -3.984 11.771 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.419 -4.707 10.393 1.00 0.00 H new ATOM 842 N HIS A 58 2.304 -3.809 5.900 1.00 0.00 N ATOM 843 CA HIS A 58 3.577 -3.784 5.200 1.00 0.00 C ATOM 844 C HIS A 58 3.718 -2.464 4.438 1.00 0.00 C ATOM 845 O HIS A 58 4.823 -2.070 4.071 1.00 0.00 O ATOM 846 CB HIS A 58 3.724 -5.009 4.296 1.00 0.00 C ATOM 847 CG HIS A 58 4.373 -6.195 4.969 1.00 0.00 C ATOM 848 ND1 HIS A 58 3.661 -7.107 5.730 1.00 0.00 N ATOM 849 CD2 HIS A 58 5.672 -6.609 4.988 1.00 0.00 C ATOM 850 CE1 HIS A 58 4.505 -8.023 6.181 1.00 0.00 C ATOM 851 NE2 HIS A 58 5.751 -7.712 5.721 1.00 0.00 N ATOM 0 H HIS A 58 1.607 -4.434 5.495 1.00 0.00 H new ATOM 0 HA HIS A 58 4.393 -3.837 5.920 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.738 -5.303 3.937 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.313 -4.734 3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.497 -6.121 4.490 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.251 -8.868 6.804 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.603 -8.240 5.910 1.00 0.00 H new ATOM 859 N VAL A 59 2.581 -1.818 4.222 1.00 0.00 N ATOM 860 CA VAL A 59 2.564 -0.552 3.511 1.00 0.00 C ATOM 861 C VAL A 59 2.057 0.547 4.447 1.00 0.00 C ATOM 862 O VAL A 59 1.268 0.282 5.353 1.00 0.00 O ATOM 863 CB VAL A 59 1.730 -0.680 2.234 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.432 -1.573 1.209 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.326 -1.202 2.546 1.00 0.00 C ATOM 0 H VAL A 59 1.665 -2.148 4.527 1.00 0.00 H new ATOM 0 HA VAL A 59 3.571 -0.276 3.200 1.00 0.00 H new ATOM 0 HB VAL A 59 1.628 0.314 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.819 -1.648 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.400 -1.142 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.578 -2.567 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.246 -1.284 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.399 -2.183 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.177 -0.512 3.224 1.00 0.00 H new ATOM 875 N GLY A 60 2.532 1.759 4.197 1.00 0.00 N ATOM 876 CA GLY A 60 2.137 2.899 5.006 1.00 0.00 C ATOM 877 C GLY A 60 3.363 3.673 5.497 1.00 0.00 C ATOM 878 O GLY A 60 3.571 3.813 6.702 1.00 0.00 O ATOM 0 H GLY A 60 3.187 1.976 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.495 3.559 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.551 2.558 5.860 1.00 0.00 H new ATOM 882 N LYS A 61 4.142 4.155 4.540 1.00 0.00 N ATOM 883 CA LYS A 61 5.340 4.911 4.860 1.00 0.00 C ATOM 884 C LYS A 61 5.073 6.401 4.639 1.00 0.00 C ATOM 885 O LYS A 61 4.977 7.167 5.597 1.00 0.00 O ATOM 886 CB LYS A 61 6.537 4.377 4.071 1.00 0.00 C ATOM 887 CG LYS A 61 7.848 4.964 4.598 1.00 0.00 C ATOM 888 CD LYS A 61 8.652 3.911 5.364 1.00 0.00 C ATOM 889 CE LYS A 61 9.923 4.519 5.961 1.00 0.00 C ATOM 890 NZ LYS A 61 9.659 5.037 7.322 1.00 0.00 N ATOM 0 H LYS A 61 3.966 4.036 3.542 1.00 0.00 H new ATOM 0 HA LYS A 61 5.599 4.786 5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.567 3.290 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.422 4.625 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.440 5.345 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.635 5.810 5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.039 3.488 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.916 3.092 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.711 3.766 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.283 5.325 5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.532 5.446 7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.922 5.770 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.337 4.259 7.933 1.00 0.00 H new ATOM 904 N HIS A 62 4.960 6.767 3.371 1.00 0.00 N ATOM 905 CA HIS A 62 4.705 8.152 3.012 1.00 0.00 C ATOM 906 C HIS A 62 3.793 8.204 1.785 1.00 0.00 C ATOM 907 O HIS A 62 3.942 7.405 0.861 1.00 0.00 O ATOM 908 CB HIS A 62 6.018 8.910 2.808 1.00 0.00 C ATOM 909 CG HIS A 62 6.781 8.496 1.572 1.00 0.00 C ATOM 910 ND1 HIS A 62 6.720 9.200 0.383 1.00 0.00 N ATOM 911 CD2 HIS A 62 7.623 7.445 1.355 1.00 0.00 C ATOM 912 CE1 HIS A 62 7.493 8.591 -0.504 1.00 0.00 C ATOM 913 NE2 HIS A 62 8.051 7.503 0.100 1.00 0.00 N ATOM 0 H HIS A 62 5.040 6.129 2.579 1.00 0.00 H new ATOM 0 HA HIS A 62 4.186 8.654 3.828 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.804 9.977 2.750 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.652 8.759 3.682 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.173 10.045 0.217 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.895 6.693 2.081 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.653 8.902 -1.526 1.00 0.00 H new ATOM 921 N SER A 63 2.870 9.154 1.814 1.00 0.00 N ATOM 922 CA SER A 63 1.934 9.321 0.715 1.00 0.00 C ATOM 923 C SER A 63 1.821 10.801 0.344 1.00 0.00 C ATOM 924 O SER A 63 1.933 11.671 1.207 1.00 0.00 O ATOM 925 CB SER A 63 0.557 8.758 1.074 1.00 0.00 C ATOM 926 OG SER A 63 -0.379 8.918 0.011 1.00 0.00 O ATOM 0 H SER A 63 2.750 9.816 2.581 1.00 0.00 H new ATOM 0 HA SER A 63 2.312 8.765 -0.143 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.650 7.700 1.319 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.182 9.259 1.966 1.00 0.00 H new ATOM 0 HG SER A 63 -0.264 8.193 -0.638 1.00 0.00 H new ATOM 932 N GLY A 64 1.601 11.041 -0.940 1.00 0.00 N ATOM 933 CA GLY A 64 1.473 12.401 -1.435 1.00 0.00 C ATOM 934 C GLY A 64 2.835 12.969 -1.839 1.00 0.00 C ATOM 935 O GLY A 64 3.869 12.523 -1.344 1.00 0.00 O ATOM 0 H GLY A 64 1.508 10.317 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.800 12.418 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.026 13.031 -0.666 1.00 0.00 H new ATOM 939 N PRO A 65 2.791 13.971 -2.757 1.00 0.00 N ATOM 940 CA PRO A 65 4.009 14.605 -3.233 1.00 0.00 C ATOM 941 C PRO A 65 4.583 15.551 -2.176 1.00 0.00 C ATOM 942 O PRO A 65 4.523 16.770 -2.331 1.00 0.00 O ATOM 943 CB PRO A 65 3.607 15.318 -4.513 1.00 0.00 C ATOM 944 CG PRO A 65 2.094 15.446 -4.462 1.00 0.00 C ATOM 945 CD PRO A 65 1.585 14.526 -3.365 1.00 0.00 C ATOM 0 HA PRO A 65 4.808 13.890 -3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.080 16.298 -4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.922 14.753 -5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.805 16.477 -4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.655 15.174 -5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.989 15.073 -2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.949 13.740 -3.771 1.00 0.00 H new ATOM 953 N SER A 66 5.127 14.954 -1.126 1.00 0.00 N ATOM 954 CA SER A 66 5.711 15.729 -0.044 1.00 0.00 C ATOM 955 C SER A 66 6.593 16.841 -0.614 1.00 0.00 C ATOM 956 O SER A 66 6.338 18.022 -0.381 1.00 0.00 O ATOM 957 CB SER A 66 6.523 14.836 0.896 1.00 0.00 C ATOM 958 OG SER A 66 5.721 13.823 1.497 1.00 0.00 O ATOM 0 H SER A 66 5.176 13.943 -1.001 1.00 0.00 H new ATOM 0 HA SER A 66 4.901 16.176 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.338 14.371 0.340 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.977 15.448 1.675 1.00 0.00 H new ATOM 0 HG SER A 66 6.277 13.274 2.088 1.00 0.00 H new ATOM 964 N SER A 67 7.613 16.425 -1.351 1.00 0.00 N ATOM 965 CA SER A 67 8.534 17.371 -1.956 1.00 0.00 C ATOM 966 C SER A 67 7.858 18.083 -3.129 1.00 0.00 C ATOM 967 O SER A 67 7.600 17.473 -4.166 1.00 0.00 O ATOM 968 CB SER A 67 9.812 16.673 -2.425 1.00 0.00 C ATOM 969 OG SER A 67 10.792 16.603 -1.393 1.00 0.00 O ATOM 0 H SER A 67 7.821 15.445 -1.543 1.00 0.00 H new ATOM 0 HA SER A 67 8.810 18.108 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.571 15.666 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.224 17.208 -3.281 1.00 0.00 H new ATOM 0 HG SER A 67 11.592 16.149 -1.732 1.00 0.00 H new ATOM 975 N GLY A 68 7.589 19.365 -2.927 1.00 0.00 N ATOM 976 CA GLY A 68 6.947 20.167 -3.955 1.00 0.00 C ATOM 977 C GLY A 68 7.669 20.019 -5.296 1.00 0.00 C ATOM 978 O GLY A 68 8.815 20.441 -5.437 1.00 0.00 O ATOM 0 H GLY A 68 7.804 19.868 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.906 19.862 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.942 21.215 -3.654 1.00 0.00 H new TER 982 GLY A 68