USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 599 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 18 HIS : no HD1:sc= -0.525 K(o=-0.075,f=-2.9) USER MOD Set 1.2: A 33 TYR OH : rot -6:sc= 0.449 USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.00882 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.125 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.434 USER MOD Single : A 37 MET CE :methyl -134:sc= -0.261 (180deg=-1.59!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 41 LYS NZ :NH3+ -130:sc= -0.198 (180deg=-0.798) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.428 USER MOD Single : A 48 THR OG1 : rot 63:sc= 0.97 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0384 USER MOD Single : A 71 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.24) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.918 38.129 -1.770 1.00 0.00 N ATOM 2 CA GLY A 1 -0.447 37.833 -3.110 1.00 0.00 C ATOM 3 C GLY A 1 -0.187 36.354 -3.320 1.00 0.00 C ATOM 4 O GLY A 1 0.299 35.669 -2.420 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.583 39.071 -1.484 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.958 38.113 -1.756 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.552 37.416 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.185 38.175 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.470 38.391 -3.301 1.00 0.00 H new ATOM 8 N SER A 2 -0.511 35.861 -4.511 1.00 0.00 N ATOM 9 CA SER A 2 -0.315 34.453 -4.834 1.00 0.00 C ATOM 10 C SER A 2 1.027 34.237 -5.527 1.00 0.00 C ATOM 11 O SER A 2 1.192 34.568 -6.701 1.00 0.00 O ATOM 12 CB SER A 2 -1.450 33.949 -5.727 1.00 0.00 C ATOM 13 OG SER A 2 -1.676 32.564 -5.533 1.00 0.00 O ATOM 0 H SER A 2 -0.910 36.416 -5.268 1.00 0.00 H new ATOM 0 HA SER A 2 -0.319 33.888 -3.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.363 34.504 -5.508 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.205 34.138 -6.772 1.00 0.00 H new ATOM 0 HG SER A 2 -2.407 32.267 -6.114 1.00 0.00 H new ATOM 19 N SER A 3 1.983 33.678 -4.792 1.00 0.00 N ATOM 20 CA SER A 3 3.312 33.421 -5.333 1.00 0.00 C ATOM 21 C SER A 3 3.669 31.942 -5.218 1.00 0.00 C ATOM 22 O SER A 3 3.049 31.200 -4.457 1.00 0.00 O ATOM 23 CB SER A 3 4.356 34.267 -4.602 1.00 0.00 C ATOM 24 OG SER A 3 5.658 34.013 -5.101 1.00 0.00 O ATOM 0 H SER A 3 1.862 33.394 -3.820 1.00 0.00 H new ATOM 0 HA SER A 3 3.307 33.695 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.118 35.324 -4.719 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.323 34.049 -3.535 1.00 0.00 H new ATOM 0 HG SER A 3 6.307 34.567 -4.619 1.00 0.00 H new ATOM 30 N GLY A 4 4.674 31.520 -5.980 1.00 0.00 N ATOM 31 CA GLY A 4 5.096 30.132 -5.950 1.00 0.00 C ATOM 32 C GLY A 4 5.412 29.653 -4.547 1.00 0.00 C ATOM 33 O GLY A 4 6.526 29.837 -4.056 1.00 0.00 O ATOM 0 H GLY A 4 5.203 32.115 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.311 29.507 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.977 30.010 -6.580 1.00 0.00 H new ATOM 37 N SER A 5 4.429 29.037 -3.898 1.00 0.00 N ATOM 38 CA SER A 5 4.605 28.535 -2.541 1.00 0.00 C ATOM 39 C SER A 5 3.606 27.422 -2.239 1.00 0.00 C ATOM 40 O SER A 5 2.453 27.475 -2.668 1.00 0.00 O ATOM 41 CB SER A 5 4.442 29.670 -1.529 1.00 0.00 C ATOM 42 OG SER A 5 5.050 29.342 -0.291 1.00 0.00 O ATOM 0 H SER A 5 3.502 28.874 -4.291 1.00 0.00 H new ATOM 0 HA SER A 5 5.613 28.127 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.888 30.582 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.382 29.874 -1.374 1.00 0.00 H new ATOM 0 HG SER A 5 4.933 30.085 0.338 1.00 0.00 H new ATOM 48 N SER A 6 4.057 26.415 -1.498 1.00 0.00 N ATOM 49 CA SER A 6 3.204 25.287 -1.141 1.00 0.00 C ATOM 50 C SER A 6 3.816 24.484 0.003 1.00 0.00 C ATOM 51 O SER A 6 4.867 23.864 -0.151 1.00 0.00 O ATOM 52 CB SER A 6 2.985 24.382 -2.354 1.00 0.00 C ATOM 53 OG SER A 6 2.000 23.400 -2.087 1.00 0.00 O ATOM 0 H SER A 6 5.008 26.357 -1.133 1.00 0.00 H new ATOM 0 HA SER A 6 2.242 25.680 -0.812 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.680 24.984 -3.210 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.923 23.897 -2.623 1.00 0.00 H new ATOM 0 HG SER A 6 1.878 22.836 -2.879 1.00 0.00 H new ATOM 59 N GLY A 7 3.149 24.501 1.153 1.00 0.00 N ATOM 60 CA GLY A 7 3.641 23.772 2.307 1.00 0.00 C ATOM 61 C GLY A 7 3.655 22.273 2.083 1.00 0.00 C ATOM 62 O GLY A 7 3.537 21.807 0.949 1.00 0.00 O ATOM 0 H GLY A 7 2.277 25.007 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.650 24.110 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.017 24.001 3.171 1.00 0.00 H new ATOM 66 N CYS A 8 3.801 21.516 3.165 1.00 0.00 N ATOM 67 CA CYS A 8 3.832 20.060 3.081 1.00 0.00 C ATOM 68 C CYS A 8 2.489 19.514 2.608 1.00 0.00 C ATOM 69 O CYS A 8 1.520 19.479 3.367 1.00 0.00 O ATOM 70 CB CYS A 8 4.192 19.458 4.440 1.00 0.00 C ATOM 71 SG CYS A 8 4.696 17.723 4.368 1.00 0.00 S ATOM 0 H CYS A 8 3.900 21.886 4.110 1.00 0.00 H new ATOM 0 HA CYS A 8 4.594 19.778 2.354 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.000 20.042 4.882 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.333 19.548 5.105 1.00 0.00 H new ATOM 0 HG CYS A 8 4.982 17.304 5.565 1.00 0.00 H new ATOM 77 N SER A 9 2.438 19.090 1.350 1.00 0.00 N ATOM 78 CA SER A 9 1.212 18.550 0.774 1.00 0.00 C ATOM 79 C SER A 9 1.180 17.030 0.892 1.00 0.00 C ATOM 80 O SER A 9 2.201 16.351 0.779 1.00 0.00 O ATOM 81 CB SER A 9 1.089 18.962 -0.695 1.00 0.00 C ATOM 82 OG SER A 9 2.241 18.584 -1.428 1.00 0.00 O ATOM 0 H SER A 9 3.232 19.110 0.710 1.00 0.00 H new ATOM 0 HA SER A 9 0.368 18.958 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.206 18.497 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.948 20.041 -0.763 1.00 0.00 H new ATOM 0 HG SER A 9 2.137 18.857 -2.364 1.00 0.00 H new ATOM 88 N PRO A 10 -0.021 16.480 1.124 1.00 0.00 N ATOM 89 CA PRO A 10 -0.217 15.034 1.262 1.00 0.00 C ATOM 90 C PRO A 10 -0.026 14.295 -0.057 1.00 0.00 C ATOM 91 O PRO A 10 -0.235 14.857 -1.132 1.00 0.00 O ATOM 92 CB PRO A 10 -1.668 14.916 1.735 1.00 0.00 C ATOM 93 CG PRO A 10 -2.331 16.153 1.235 1.00 0.00 C ATOM 94 CD PRO A 10 -1.281 17.229 1.269 1.00 0.00 C ATOM 0 HA PRO A 10 0.506 14.588 1.945 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.144 14.022 1.333 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.726 14.847 2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.711 16.010 0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.183 16.419 1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.416 17.948 0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.310 17.790 2.203 1.00 0.00 H new ATOM 102 N VAL A 11 0.374 13.030 0.031 1.00 0.00 N ATOM 103 CA VAL A 11 0.592 12.212 -1.156 1.00 0.00 C ATOM 104 C VAL A 11 -0.629 11.352 -1.464 1.00 0.00 C ATOM 105 O VAL A 11 -1.244 10.785 -0.561 1.00 0.00 O ATOM 106 CB VAL A 11 1.821 11.299 -0.991 1.00 0.00 C ATOM 107 CG1 VAL A 11 3.088 12.129 -0.846 1.00 0.00 C ATOM 108 CG2 VAL A 11 1.640 10.375 0.204 1.00 0.00 C ATOM 0 H VAL A 11 0.554 12.550 0.913 1.00 0.00 H new ATOM 0 HA VAL A 11 0.767 12.898 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 11 1.919 10.685 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.946 11.466 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.223 12.746 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.004 12.770 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.517 9.736 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.517 10.970 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.756 9.755 0.054 1.00 0.00 H new ATOM 118 N ARG A 12 -0.974 11.261 -2.744 1.00 0.00 N ATOM 119 CA ARG A 12 -2.122 10.470 -3.171 1.00 0.00 C ATOM 120 C ARG A 12 -1.773 8.986 -3.218 1.00 0.00 C ATOM 121 O ARG A 12 -2.608 8.133 -2.920 1.00 0.00 O ATOM 122 CB ARG A 12 -2.605 10.935 -4.546 1.00 0.00 C ATOM 123 CG ARG A 12 -1.568 10.766 -5.645 1.00 0.00 C ATOM 124 CD ARG A 12 -2.167 11.019 -7.020 1.00 0.00 C ATOM 125 NE ARG A 12 -2.957 9.884 -7.490 1.00 0.00 N ATOM 126 CZ ARG A 12 -3.712 9.917 -8.582 1.00 0.00 C ATOM 127 NH1 ARG A 12 -3.779 11.021 -9.313 1.00 0.00 N ATOM 128 NH2 ARG A 12 -4.402 8.844 -8.946 1.00 0.00 N ATOM 0 H ARG A 12 -0.475 11.725 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.921 10.614 -2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.501 10.376 -4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.890 11.985 -4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.741 11.455 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.156 9.758 -5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.796 11.908 -6.983 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.367 11.224 -7.732 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.927 9.019 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.250 11.848 -9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.360 11.043 -10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.353 7.992 -8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.982 8.871 -9.785 1.00 0.00 H new ATOM 142 N GLU A 13 -0.533 8.686 -3.593 1.00 0.00 N ATOM 143 CA GLU A 13 -0.075 7.304 -3.680 1.00 0.00 C ATOM 144 C GLU A 13 1.071 7.049 -2.705 1.00 0.00 C ATOM 145 O GLU A 13 2.015 7.834 -2.621 1.00 0.00 O ATOM 146 CB GLU A 13 0.373 6.980 -5.106 1.00 0.00 C ATOM 147 CG GLU A 13 -0.770 6.932 -6.107 1.00 0.00 C ATOM 148 CD GLU A 13 -0.498 5.982 -7.258 1.00 0.00 C ATOM 149 OE1 GLU A 13 0.668 5.900 -7.697 1.00 0.00 O ATOM 150 OE2 GLU A 13 -1.453 5.322 -7.719 1.00 0.00 O ATOM 0 H GLU A 13 0.172 9.381 -3.841 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.909 6.655 -3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.097 7.728 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.886 6.018 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.683 6.626 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.946 7.933 -6.501 1.00 0.00 H new ATOM 157 N ARG A 14 0.980 5.946 -1.970 1.00 0.00 N ATOM 158 CA ARG A 14 2.007 5.587 -0.999 1.00 0.00 C ATOM 159 C ARG A 14 2.071 4.075 -0.809 1.00 0.00 C ATOM 160 O ARG A 14 1.161 3.349 -1.211 1.00 0.00 O ATOM 161 CB ARG A 14 1.733 6.270 0.342 1.00 0.00 C ATOM 162 CG ARG A 14 2.870 6.130 1.340 1.00 0.00 C ATOM 163 CD ARG A 14 2.929 7.318 2.287 1.00 0.00 C ATOM 164 NE ARG A 14 3.853 7.090 3.395 1.00 0.00 N ATOM 165 CZ ARG A 14 3.566 6.333 4.448 1.00 0.00 C ATOM 166 NH1 ARG A 14 2.386 5.734 4.536 1.00 0.00 N ATOM 167 NH2 ARG A 14 4.460 6.174 5.416 1.00 0.00 N ATOM 0 H ARG A 14 0.205 5.285 -2.028 1.00 0.00 H new ATOM 0 HA ARG A 14 2.969 5.928 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.542 7.329 0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.826 5.849 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.741 5.212 1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.816 6.042 0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.237 8.206 1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.932 7.517 2.681 1.00 0.00 H new ATOM 0 HE ARG A 14 4.769 7.537 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.696 5.854 3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.168 5.153 5.346 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.368 6.633 5.352 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.239 5.592 6.224 1.00 0.00 H new ATOM 181 N ARG A 15 3.153 3.606 -0.195 1.00 0.00 N ATOM 182 CA ARG A 15 3.336 2.180 0.047 1.00 0.00 C ATOM 183 C ARG A 15 3.835 1.929 1.467 1.00 0.00 C ATOM 184 O ARG A 15 4.739 2.613 1.949 1.00 0.00 O ATOM 185 CB ARG A 15 4.324 1.593 -0.963 1.00 0.00 C ATOM 186 CG ARG A 15 3.662 1.062 -2.224 1.00 0.00 C ATOM 187 CD ARG A 15 4.589 1.166 -3.425 1.00 0.00 C ATOM 188 NE ARG A 15 4.948 2.550 -3.721 1.00 0.00 N ATOM 189 CZ ARG A 15 5.532 2.932 -4.851 1.00 0.00 C ATOM 190 NH1 ARG A 15 5.821 2.039 -5.787 1.00 0.00 N ATOM 191 NH2 ARG A 15 5.828 4.211 -5.047 1.00 0.00 N ATOM 0 H ARG A 15 3.916 4.193 0.144 1.00 0.00 H new ATOM 0 HA ARG A 15 2.370 1.690 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.048 2.360 -1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.880 0.785 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.374 0.022 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.747 1.621 -2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.494 0.589 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.105 0.723 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 15 4.739 3.262 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.595 1.055 -5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.270 2.336 -6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.607 4.901 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.277 4.503 -5.915 1.00 0.00 H new ATOM 205 N LEU A 16 3.239 0.945 2.133 1.00 0.00 N ATOM 206 CA LEU A 16 3.622 0.604 3.498 1.00 0.00 C ATOM 207 C LEU A 16 4.324 -0.749 3.545 1.00 0.00 C ATOM 208 O LEU A 16 3.869 -1.716 2.935 1.00 0.00 O ATOM 209 CB LEU A 16 2.389 0.583 4.404 1.00 0.00 C ATOM 210 CG LEU A 16 2.597 0.013 5.807 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.629 0.831 6.569 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.279 -0.028 6.567 1.00 0.00 C ATOM 0 H LEU A 16 2.489 0.370 1.749 1.00 0.00 H new ATOM 0 HA LEU A 16 4.316 1.365 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.016 1.603 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.610 0.003 3.910 1.00 0.00 H new ATOM 0 HG LEU A 16 2.971 -1.007 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.763 0.410 7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.579 0.808 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.285 1.862 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.446 -0.437 7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.876 0.981 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.569 -0.658 6.031 1.00 0.00 H new ATOM 224 N GLU A 17 5.433 -0.810 4.275 1.00 0.00 N ATOM 225 CA GLU A 17 6.197 -2.046 4.401 1.00 0.00 C ATOM 226 C GLU A 17 5.480 -3.037 5.313 1.00 0.00 C ATOM 227 O GLU A 17 5.051 -2.688 6.414 1.00 0.00 O ATOM 228 CB GLU A 17 7.596 -1.753 4.948 1.00 0.00 C ATOM 229 CG GLU A 17 8.650 -2.746 4.486 1.00 0.00 C ATOM 230 CD GLU A 17 9.805 -2.866 5.460 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.612 -1.916 5.542 1.00 0.00 O ATOM 232 OE2 GLU A 17 9.903 -3.908 6.140 1.00 0.00 O ATOM 0 H GLU A 17 5.822 -0.019 4.788 1.00 0.00 H new ATOM 0 HA GLU A 17 6.288 -2.490 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.894 -0.750 4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.559 -1.756 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.188 -3.725 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.031 -2.439 3.512 1.00 0.00 H new ATOM 239 N HIS A 18 5.352 -4.276 4.847 1.00 0.00 N ATOM 240 CA HIS A 18 4.687 -5.319 5.620 1.00 0.00 C ATOM 241 C HIS A 18 5.548 -6.576 5.689 1.00 0.00 C ATOM 242 O HIS A 18 5.788 -7.231 4.675 1.00 0.00 O ATOM 243 CB HIS A 18 3.327 -5.650 5.005 1.00 0.00 C ATOM 244 CG HIS A 18 2.562 -6.688 5.766 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.594 -6.377 6.698 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.625 -8.040 5.728 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.097 -7.492 7.202 1.00 0.00 C ATOM 248 NE2 HIS A 18 1.705 -8.516 6.630 1.00 0.00 N ATOM 0 H HIS A 18 5.700 -4.582 3.938 1.00 0.00 H new ATOM 0 HA HIS A 18 4.537 -4.947 6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.731 -4.739 4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.475 -5.997 3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.277 -8.634 5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.325 -7.556 7.954 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.521 -9.500 6.826 1.00 0.00 H new ATOM 257 N GLN A 19 6.009 -6.906 6.891 1.00 0.00 N ATOM 258 CA GLN A 19 6.845 -8.085 7.091 1.00 0.00 C ATOM 259 C GLN A 19 6.141 -9.342 6.591 1.00 0.00 C ATOM 260 O GLN A 19 5.436 -10.013 7.346 1.00 0.00 O ATOM 261 CB GLN A 19 7.200 -8.239 8.571 1.00 0.00 C ATOM 262 CG GLN A 19 8.401 -9.138 8.817 1.00 0.00 C ATOM 263 CD GLN A 19 8.752 -9.253 10.288 1.00 0.00 C ATOM 264 OE1 GLN A 19 8.659 -10.330 10.877 1.00 0.00 O ATOM 265 NE2 GLN A 19 9.157 -8.140 10.889 1.00 0.00 N ATOM 0 H GLN A 19 5.818 -6.375 7.741 1.00 0.00 H new ATOM 0 HA GLN A 19 7.762 -7.951 6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.401 -7.254 8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.339 -8.643 9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.195 -10.131 8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.260 -8.748 8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.219 -7.269 10.362 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.406 -8.156 11.878 1.00 0.00 H new ATOM 274 N LEU A 20 6.336 -9.656 5.315 1.00 0.00 N ATOM 275 CA LEU A 20 5.720 -10.833 4.714 1.00 0.00 C ATOM 276 C LEU A 20 6.164 -12.105 5.428 1.00 0.00 C ATOM 277 O LEU A 20 7.348 -12.438 5.444 1.00 0.00 O ATOM 278 CB LEU A 20 6.077 -10.918 3.229 1.00 0.00 C ATOM 279 CG LEU A 20 5.076 -11.656 2.338 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.837 -10.804 2.108 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.720 -12.034 1.012 1.00 0.00 C ATOM 0 H LEU A 20 6.916 -9.112 4.677 1.00 0.00 H new ATOM 0 HA LEU A 20 4.639 -10.739 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.195 -9.904 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.046 -11.409 3.136 1.00 0.00 H new ATOM 0 HG LEU A 20 4.773 -12.572 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.136 -11.345 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.364 -10.584 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.122 -9.871 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.994 -12.558 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.052 -11.132 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.576 -12.683 1.195 1.00 0.00 H new ATOM 293 N GLU A 21 5.204 -12.813 6.016 1.00 0.00 N ATOM 294 CA GLU A 21 5.498 -14.050 6.731 1.00 0.00 C ATOM 295 C GLU A 21 5.355 -15.258 5.809 1.00 0.00 C ATOM 296 O GLU A 21 4.605 -15.241 4.833 1.00 0.00 O ATOM 297 CB GLU A 21 4.567 -14.201 7.936 1.00 0.00 C ATOM 298 CG GLU A 21 4.687 -13.071 8.944 1.00 0.00 C ATOM 299 CD GLU A 21 4.244 -13.480 10.335 1.00 0.00 C ATOM 300 OE1 GLU A 21 4.394 -14.670 10.680 1.00 0.00 O ATOM 301 OE2 GLU A 21 3.748 -12.608 11.079 1.00 0.00 O ATOM 0 H GLU A 21 4.218 -12.552 6.011 1.00 0.00 H new ATOM 0 HA GLU A 21 6.529 -14.002 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.537 -14.254 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.783 -15.146 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.722 -12.731 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.086 -12.225 8.609 1.00 0.00 H new ATOM 308 N PRO A 22 6.093 -16.333 6.125 1.00 0.00 N ATOM 309 CA PRO A 22 6.067 -17.570 5.339 1.00 0.00 C ATOM 310 C PRO A 22 4.744 -18.316 5.476 1.00 0.00 C ATOM 311 O PRO A 22 4.566 -19.393 4.909 1.00 0.00 O ATOM 312 CB PRO A 22 7.210 -18.394 5.936 1.00 0.00 C ATOM 313 CG PRO A 22 7.356 -17.886 7.329 1.00 0.00 C ATOM 314 CD PRO A 22 7.009 -16.423 7.274 1.00 0.00 C ATOM 0 HA PRO A 22 6.175 -17.377 4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.978 -19.459 5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.131 -18.263 5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.693 -18.419 8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.373 -18.033 7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.532 -16.088 8.195 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.895 -15.805 7.131 1.00 0.00 H new ATOM 322 N GLY A 23 3.817 -17.735 6.232 1.00 0.00 N ATOM 323 CA GLY A 23 2.522 -18.359 6.429 1.00 0.00 C ATOM 324 C GLY A 23 1.373 -17.406 6.167 1.00 0.00 C ATOM 325 O GLY A 23 0.266 -17.604 6.668 1.00 0.00 O ATOM 0 H GLY A 23 3.940 -16.843 6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.433 -19.221 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.454 -18.733 7.451 1.00 0.00 H new ATOM 329 N ASP A 24 1.635 -16.367 5.382 1.00 0.00 N ATOM 330 CA ASP A 24 0.615 -15.378 5.055 1.00 0.00 C ATOM 331 C ASP A 24 0.051 -15.620 3.658 1.00 0.00 C ATOM 332 O ASP A 24 0.563 -16.450 2.905 1.00 0.00 O ATOM 333 CB ASP A 24 1.194 -13.966 5.146 1.00 0.00 C ATOM 334 CG ASP A 24 1.077 -13.381 6.540 1.00 0.00 C ATOM 335 OD1 ASP A 24 0.026 -13.586 7.184 1.00 0.00 O ATOM 336 OD2 ASP A 24 2.036 -12.718 6.988 1.00 0.00 O ATOM 0 H ASP A 24 2.546 -16.188 4.960 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.195 -15.477 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.243 -13.987 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.677 -13.318 4.439 1.00 0.00 H new ATOM 341 N THR A 25 -1.008 -14.892 3.318 1.00 0.00 N ATOM 342 CA THR A 25 -1.643 -15.029 2.013 1.00 0.00 C ATOM 343 C THR A 25 -2.044 -13.670 1.452 1.00 0.00 C ATOM 344 O THR A 25 -2.223 -12.707 2.198 1.00 0.00 O ATOM 345 CB THR A 25 -2.890 -15.930 2.087 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.773 -15.461 3.112 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.499 -17.373 2.369 1.00 0.00 C ATOM 0 H THR A 25 -1.444 -14.201 3.929 1.00 0.00 H new ATOM 0 HA THR A 25 -0.910 -15.490 1.351 1.00 0.00 H new ATOM 0 HB THR A 25 -3.398 -15.889 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.564 -16.038 3.152 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.396 -17.990 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.850 -17.737 1.572 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.970 -17.427 3.321 1.00 0.00 H new ATOM 355 N LEU A 26 -2.185 -13.598 0.133 1.00 0.00 N ATOM 356 CA LEU A 26 -2.566 -12.356 -0.530 1.00 0.00 C ATOM 357 C LEU A 26 -3.941 -11.889 -0.062 1.00 0.00 C ATOM 358 O LEU A 26 -4.136 -10.715 0.250 1.00 0.00 O ATOM 359 CB LEU A 26 -2.569 -12.544 -2.048 1.00 0.00 C ATOM 360 CG LEU A 26 -1.197 -12.660 -2.712 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.318 -13.323 -4.076 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.548 -11.290 -2.839 1.00 0.00 C ATOM 0 H LEU A 26 -2.041 -14.386 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.833 -11.593 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.141 -13.442 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.098 -11.703 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.562 -13.284 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.331 -13.397 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.740 -14.321 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.970 -12.726 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.428 -11.392 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.181 -10.642 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.425 -10.852 -1.848 1.00 0.00 H new ATOM 374 N ALA A 27 -4.890 -12.818 -0.013 1.00 0.00 N ATOM 375 CA ALA A 27 -6.246 -12.502 0.422 1.00 0.00 C ATOM 376 C ALA A 27 -6.243 -11.861 1.805 1.00 0.00 C ATOM 377 O ALA A 27 -7.117 -11.058 2.129 1.00 0.00 O ATOM 378 CB ALA A 27 -7.106 -13.758 0.421 1.00 0.00 C ATOM 0 H ALA A 27 -4.746 -13.795 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.669 -11.784 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.115 -13.508 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.143 -14.173 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.676 -14.494 1.101 1.00 0.00 H new ATOM 384 N GLY A 28 -5.256 -12.223 2.619 1.00 0.00 N ATOM 385 CA GLY A 28 -5.159 -11.674 3.959 1.00 0.00 C ATOM 386 C GLY A 28 -4.819 -10.197 3.956 1.00 0.00 C ATOM 387 O GLY A 28 -5.554 -9.382 4.517 1.00 0.00 O ATOM 0 H GLY A 28 -4.521 -12.887 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.105 -11.825 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.397 -12.218 4.517 1.00 0.00 H new ATOM 391 N LEU A 29 -3.702 -9.849 3.327 1.00 0.00 N ATOM 392 CA LEU A 29 -3.264 -8.460 3.256 1.00 0.00 C ATOM 393 C LEU A 29 -4.310 -7.594 2.561 1.00 0.00 C ATOM 394 O LEU A 29 -4.619 -6.492 3.014 1.00 0.00 O ATOM 395 CB LEU A 29 -1.930 -8.362 2.513 1.00 0.00 C ATOM 396 CG LEU A 29 -0.815 -9.282 3.012 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.381 -9.228 2.074 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.403 -8.902 4.427 1.00 0.00 C ATOM 0 H LEU A 29 -3.083 -10.510 2.858 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.134 -8.094 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.107 -8.577 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.578 -7.332 2.573 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.193 -10.304 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.164 -9.889 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.077 -9.549 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.760 -8.207 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.391 -9.567 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.044 -7.873 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.261 -8.993 5.093 1.00 0.00 H new ATOM 410 N ALA A 30 -4.854 -8.101 1.459 1.00 0.00 N ATOM 411 CA ALA A 30 -5.869 -7.377 0.705 1.00 0.00 C ATOM 412 C ALA A 30 -6.907 -6.758 1.634 1.00 0.00 C ATOM 413 O ALA A 30 -7.064 -5.538 1.683 1.00 0.00 O ATOM 414 CB ALA A 30 -6.540 -8.302 -0.299 1.00 0.00 C ATOM 0 H ALA A 30 -4.608 -9.011 1.069 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.377 -6.568 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.296 -7.748 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.793 -8.691 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.012 -9.131 0.229 1.00 0.00 H new ATOM 420 N LEU A 31 -7.615 -7.608 2.371 1.00 0.00 N ATOM 421 CA LEU A 31 -8.640 -7.144 3.300 1.00 0.00 C ATOM 422 C LEU A 31 -8.012 -6.430 4.492 1.00 0.00 C ATOM 423 O LEU A 31 -8.455 -5.352 4.888 1.00 0.00 O ATOM 424 CB LEU A 31 -9.487 -8.323 3.785 1.00 0.00 C ATOM 425 CG LEU A 31 -10.049 -9.238 2.696 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.228 -10.652 3.228 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.369 -8.693 2.171 1.00 0.00 C ATOM 0 H LEU A 31 -7.498 -8.621 2.343 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.280 -6.436 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.881 -8.926 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.320 -7.931 4.368 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.338 -9.269 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.629 -11.289 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.264 -11.042 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.919 -10.639 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.754 -9.357 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.088 -8.632 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.211 -7.699 1.752 1.00 0.00 H new ATOM 439 N LYS A 32 -6.975 -7.037 5.060 1.00 0.00 N ATOM 440 CA LYS A 32 -6.282 -6.459 6.205 1.00 0.00 C ATOM 441 C LYS A 32 -6.255 -4.937 6.112 1.00 0.00 C ATOM 442 O LYS A 32 -6.450 -4.241 7.109 1.00 0.00 O ATOM 443 CB LYS A 32 -4.854 -7.001 6.290 1.00 0.00 C ATOM 444 CG LYS A 32 -4.170 -6.709 7.615 1.00 0.00 C ATOM 445 CD LYS A 32 -2.674 -6.962 7.538 1.00 0.00 C ATOM 446 CE LYS A 32 -2.360 -8.451 7.530 1.00 0.00 C ATOM 447 NZ LYS A 32 -2.341 -9.021 8.905 1.00 0.00 N ATOM 0 H LYS A 32 -6.596 -7.930 4.745 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.825 -6.741 7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.874 -8.079 6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.262 -6.570 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.350 -5.672 7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.606 -7.333 8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.272 -6.499 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.180 -6.489 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.103 -8.976 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.393 -8.616 7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.124 -10.037 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.614 -8.538 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.272 -8.887 9.349 1.00 0.00 H new ATOM 461 N TYR A 33 -6.012 -4.426 4.910 1.00 0.00 N ATOM 462 CA TYR A 33 -5.958 -2.986 4.688 1.00 0.00 C ATOM 463 C TYR A 33 -7.240 -2.489 4.026 1.00 0.00 C ATOM 464 O TYR A 33 -8.033 -1.777 4.640 1.00 0.00 O ATOM 465 CB TYR A 33 -4.750 -2.628 3.820 1.00 0.00 C ATOM 466 CG TYR A 33 -3.422 -2.886 4.495 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.842 -4.148 4.472 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.747 -1.867 5.156 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.629 -4.388 5.088 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.533 -2.097 5.774 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.978 -3.360 5.737 1.00 0.00 C ATOM 472 OH TYR A 33 0.231 -3.594 6.351 1.00 0.00 O ATOM 0 H TYR A 33 -5.849 -4.988 4.074 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.858 -2.497 5.657 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.795 -3.202 2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.810 -1.575 3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.348 -4.955 3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.179 -0.878 5.187 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.193 -5.376 5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.021 -1.293 6.283 1.00 0.00 H new ATOM 0 HH TYR A 33 0.437 -4.551 6.313 1.00 0.00 H new ATOM 482 N GLY A 34 -7.435 -2.871 2.767 1.00 0.00 N ATOM 483 CA GLY A 34 -8.621 -2.456 2.041 1.00 0.00 C ATOM 484 C GLY A 34 -8.397 -2.410 0.543 1.00 0.00 C ATOM 485 O GLY A 34 -8.922 -1.534 -0.144 1.00 0.00 O ATOM 0 H GLY A 34 -6.793 -3.460 2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.438 -3.143 2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.930 -1.471 2.389 1.00 0.00 H new ATOM 489 N VAL A 35 -7.613 -3.355 0.034 1.00 0.00 N ATOM 490 CA VAL A 35 -7.320 -3.419 -1.393 1.00 0.00 C ATOM 491 C VAL A 35 -7.507 -4.834 -1.930 1.00 0.00 C ATOM 492 O VAL A 35 -7.691 -5.781 -1.165 1.00 0.00 O ATOM 493 CB VAL A 35 -5.883 -2.954 -1.692 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.671 -1.528 -1.207 1.00 0.00 C ATOM 495 CG2 VAL A 35 -4.874 -3.898 -1.055 1.00 0.00 C ATOM 0 H VAL A 35 -7.169 -4.087 0.589 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.022 -2.749 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.732 -2.971 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.650 -1.217 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.370 -0.863 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.841 -1.480 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.864 -3.554 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.023 -3.915 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.012 -4.902 -1.456 1.00 0.00 H new ATOM 505 N THR A 36 -7.458 -4.971 -3.251 1.00 0.00 N ATOM 506 CA THR A 36 -7.622 -6.270 -3.892 1.00 0.00 C ATOM 507 C THR A 36 -6.271 -6.910 -4.190 1.00 0.00 C ATOM 508 O THR A 36 -5.349 -6.245 -4.662 1.00 0.00 O ATOM 509 CB THR A 36 -8.423 -6.153 -5.202 1.00 0.00 C ATOM 510 OG1 THR A 36 -7.536 -5.893 -6.296 1.00 0.00 O ATOM 511 CG2 THR A 36 -9.457 -5.042 -5.107 1.00 0.00 C ATOM 0 H THR A 36 -7.306 -4.198 -3.899 1.00 0.00 H new ATOM 0 HA THR A 36 -8.173 -6.900 -3.194 1.00 0.00 H new ATOM 0 HB THR A 36 -8.942 -7.097 -5.371 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.052 -5.821 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.010 -4.979 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.148 -5.257 -4.292 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.955 -4.093 -4.917 1.00 0.00 H new ATOM 519 N MET A 37 -6.161 -8.205 -3.913 1.00 0.00 N ATOM 520 CA MET A 37 -4.922 -8.936 -4.154 1.00 0.00 C ATOM 521 C MET A 37 -4.292 -8.514 -5.478 1.00 0.00 C ATOM 522 O MET A 37 -3.078 -8.330 -5.566 1.00 0.00 O ATOM 523 CB MET A 37 -5.186 -10.443 -4.159 1.00 0.00 C ATOM 524 CG MET A 37 -5.811 -10.954 -2.871 1.00 0.00 C ATOM 525 SD MET A 37 -6.862 -12.396 -3.134 1.00 0.00 S ATOM 526 CE MET A 37 -5.653 -13.603 -3.671 1.00 0.00 C ATOM 0 H MET A 37 -6.915 -8.770 -3.522 1.00 0.00 H new ATOM 0 HA MET A 37 -4.227 -8.699 -3.348 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.844 -10.686 -4.994 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.246 -10.968 -4.331 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.021 -11.209 -2.164 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.400 -10.158 -2.417 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.030 -14.131 -4.547 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.722 -13.097 -3.926 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.470 -14.317 -2.868 1.00 0.00 H new ATOM 536 N GLU A 38 -5.124 -8.364 -6.504 1.00 0.00 N ATOM 537 CA GLU A 38 -4.646 -7.966 -7.822 1.00 0.00 C ATOM 538 C GLU A 38 -3.963 -6.602 -7.764 1.00 0.00 C ATOM 539 O GLU A 38 -2.847 -6.435 -8.255 1.00 0.00 O ATOM 540 CB GLU A 38 -5.806 -7.925 -8.819 1.00 0.00 C ATOM 541 CG GLU A 38 -5.363 -7.989 -10.271 1.00 0.00 C ATOM 542 CD GLU A 38 -5.114 -9.408 -10.744 1.00 0.00 C ATOM 543 OE1 GLU A 38 -4.017 -9.940 -10.471 1.00 0.00 O ATOM 544 OE2 GLU A 38 -6.015 -9.987 -11.386 1.00 0.00 O ATOM 0 H GLU A 38 -6.132 -8.512 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.917 -8.705 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.478 -8.759 -8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.377 -7.010 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.125 -7.529 -10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.452 -7.404 -10.395 1.00 0.00 H new ATOM 551 N GLN A 39 -4.643 -5.632 -7.162 1.00 0.00 N ATOM 552 CA GLN A 39 -4.103 -4.283 -7.041 1.00 0.00 C ATOM 553 C GLN A 39 -2.673 -4.314 -6.510 1.00 0.00 C ATOM 554 O GLN A 39 -1.752 -3.808 -7.151 1.00 0.00 O ATOM 555 CB GLN A 39 -4.983 -3.439 -6.117 1.00 0.00 C ATOM 556 CG GLN A 39 -6.195 -2.840 -6.813 1.00 0.00 C ATOM 557 CD GLN A 39 -5.901 -1.492 -7.440 1.00 0.00 C ATOM 558 OE1 GLN A 39 -4.767 -1.210 -7.831 1.00 0.00 O ATOM 559 NE2 GLN A 39 -6.923 -0.650 -7.541 1.00 0.00 N ATOM 0 H GLN A 39 -5.568 -5.755 -6.751 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.094 -3.833 -8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.321 -4.057 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.383 -2.634 -5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.543 -3.527 -7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.006 -2.732 -6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.846 -0.925 -7.204 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.785 0.272 -7.956 1.00 0.00 H new ATOM 568 N ILE A 40 -2.496 -4.912 -5.337 1.00 0.00 N ATOM 569 CA ILE A 40 -1.178 -5.010 -4.721 1.00 0.00 C ATOM 570 C ILE A 40 -0.157 -5.585 -5.697 1.00 0.00 C ATOM 571 O ILE A 40 0.867 -4.963 -5.979 1.00 0.00 O ATOM 572 CB ILE A 40 -1.212 -5.886 -3.455 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.216 -5.324 -2.446 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.175 -5.976 -2.836 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.492 -6.254 -1.286 1.00 0.00 C ATOM 0 H ILE A 40 -3.248 -5.336 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.883 -3.998 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.530 -6.890 -3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.839 -4.377 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.153 -5.109 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.135 -6.598 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.866 -6.417 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.519 -4.977 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.212 -5.791 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.899 -7.193 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.565 -6.450 -0.748 1.00 0.00 H new ATOM 587 N LYS A 41 -0.444 -6.777 -6.210 1.00 0.00 N ATOM 588 CA LYS A 41 0.447 -7.437 -7.157 1.00 0.00 C ATOM 589 C LYS A 41 0.752 -6.526 -8.342 1.00 0.00 C ATOM 590 O LYS A 41 1.895 -6.116 -8.544 1.00 0.00 O ATOM 591 CB LYS A 41 -0.178 -8.743 -7.651 1.00 0.00 C ATOM 592 CG LYS A 41 -0.453 -9.744 -6.542 1.00 0.00 C ATOM 593 CD LYS A 41 -1.620 -10.654 -6.889 1.00 0.00 C ATOM 594 CE LYS A 41 -1.156 -11.895 -7.636 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.821 -11.595 -9.055 1.00 0.00 N ATOM 0 H LYS A 41 -1.287 -7.306 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 41 1.382 -7.661 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.112 -8.517 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.487 -9.199 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.438 -10.346 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.668 -9.212 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.136 -10.950 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.339 -10.108 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.282 -12.314 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.937 -12.654 -7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.302 -12.276 -9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.134 -10.631 -9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.207 -11.668 -9.192 1.00 0.00 H new ATOM 609 N ARG A 42 -0.278 -6.213 -9.122 1.00 0.00 N ATOM 610 CA ARG A 42 -0.119 -5.351 -10.287 1.00 0.00 C ATOM 611 C ARG A 42 0.696 -4.109 -9.938 1.00 0.00 C ATOM 612 O ARG A 42 1.542 -3.671 -10.716 1.00 0.00 O ATOM 613 CB ARG A 42 -1.488 -4.939 -10.833 1.00 0.00 C ATOM 614 CG ARG A 42 -1.422 -4.258 -12.190 1.00 0.00 C ATOM 615 CD ARG A 42 -2.811 -4.007 -12.756 1.00 0.00 C ATOM 616 NE ARG A 42 -2.763 -3.301 -14.033 1.00 0.00 N ATOM 617 CZ ARG A 42 -2.386 -3.869 -15.173 1.00 0.00 C ATOM 618 NH1 ARG A 42 -2.027 -5.145 -15.195 1.00 0.00 N ATOM 619 NH2 ARG A 42 -2.369 -3.160 -16.295 1.00 0.00 N ATOM 0 H ARG A 42 -1.231 -6.543 -8.968 1.00 0.00 H new ATOM 0 HA ARG A 42 0.417 -5.912 -11.053 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.120 -5.824 -10.910 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.966 -4.266 -10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.889 -3.312 -12.098 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.853 -4.878 -12.882 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.326 -4.959 -12.887 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.394 -3.425 -12.042 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.034 -2.318 -14.051 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.040 -5.693 -14.335 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.738 -5.578 -16.072 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.646 -2.178 -16.282 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.079 -3.597 -17.170 1.00 0.00 H new ATOM 633 N ALA A 43 0.434 -3.548 -8.762 1.00 0.00 N ATOM 634 CA ALA A 43 1.144 -2.358 -8.309 1.00 0.00 C ATOM 635 C ALA A 43 2.641 -2.625 -8.185 1.00 0.00 C ATOM 636 O ALA A 43 3.459 -1.726 -8.373 1.00 0.00 O ATOM 637 CB ALA A 43 0.580 -1.881 -6.978 1.00 0.00 C ATOM 0 H ALA A 43 -0.264 -3.898 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 43 1.001 -1.575 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.120 -0.992 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.477 -1.641 -7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.693 -2.668 -6.232 1.00 0.00 H new ATOM 643 N ASN A 44 2.991 -3.868 -7.868 1.00 0.00 N ATOM 644 CA ASN A 44 4.390 -4.253 -7.719 1.00 0.00 C ATOM 645 C ASN A 44 4.743 -5.397 -8.664 1.00 0.00 C ATOM 646 O ASN A 44 5.681 -6.154 -8.414 1.00 0.00 O ATOM 647 CB ASN A 44 4.675 -4.663 -6.273 1.00 0.00 C ATOM 648 CG ASN A 44 4.173 -3.641 -5.271 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.271 -2.435 -5.497 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.632 -4.121 -4.157 1.00 0.00 N ATOM 0 H ASN A 44 2.326 -4.625 -7.710 1.00 0.00 H new ATOM 0 HA ASN A 44 5.008 -3.392 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.205 -5.626 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.749 -4.799 -6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.277 -3.482 -3.446 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.572 -5.129 -4.012 1.00 0.00 H new ATOM 657 N ARG A 45 3.985 -5.517 -9.749 1.00 0.00 N ATOM 658 CA ARG A 45 4.218 -6.569 -10.731 1.00 0.00 C ATOM 659 C ARG A 45 4.733 -7.837 -10.057 1.00 0.00 C ATOM 660 O ARG A 45 5.676 -8.468 -10.537 1.00 0.00 O ATOM 661 CB ARG A 45 5.218 -6.097 -11.788 1.00 0.00 C ATOM 662 CG ARG A 45 5.143 -6.879 -13.089 1.00 0.00 C ATOM 663 CD ARG A 45 6.382 -6.661 -13.943 1.00 0.00 C ATOM 664 NE ARG A 45 6.315 -7.394 -15.204 1.00 0.00 N ATOM 665 CZ ARG A 45 7.286 -7.389 -16.110 1.00 0.00 C ATOM 666 NH1 ARG A 45 8.393 -6.692 -15.895 1.00 0.00 N ATOM 667 NH2 ARG A 45 7.151 -8.082 -17.233 1.00 0.00 N ATOM 0 H ARG A 45 3.204 -4.899 -9.970 1.00 0.00 H new ATOM 0 HA ARG A 45 3.268 -6.796 -11.216 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.042 -5.042 -11.997 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.227 -6.177 -11.383 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.033 -7.941 -12.870 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.257 -6.575 -13.647 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.498 -5.597 -14.148 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.265 -6.976 -13.387 1.00 0.00 H new ATOM 0 HE ARG A 45 5.476 -7.940 -15.400 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.500 -6.158 -15.032 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.138 -6.690 -16.592 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.301 -8.620 -17.401 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.898 -8.077 -17.928 1.00 0.00 H new ATOM 681 N LEU A 46 4.110 -8.204 -8.943 1.00 0.00 N ATOM 682 CA LEU A 46 4.506 -9.397 -8.203 1.00 0.00 C ATOM 683 C LEU A 46 4.112 -10.663 -8.958 1.00 0.00 C ATOM 684 O LEU A 46 4.721 -11.718 -8.781 1.00 0.00 O ATOM 685 CB LEU A 46 3.862 -9.397 -6.815 1.00 0.00 C ATOM 686 CG LEU A 46 4.638 -8.670 -5.716 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.824 -8.618 -4.432 1.00 0.00 C ATOM 688 CD2 LEU A 46 5.979 -9.347 -5.472 1.00 0.00 C ATOM 0 H LEU A 46 3.329 -7.693 -8.532 1.00 0.00 H new ATOM 0 HA LEU A 46 5.591 -9.383 -8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.874 -8.944 -6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.715 -10.431 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 46 4.824 -7.648 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.393 -8.097 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.890 -8.087 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.606 -9.632 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.517 -8.816 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.815 -10.380 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.567 -9.331 -6.390 1.00 0.00 H new ATOM 700 N TYR A 47 3.091 -10.549 -9.801 1.00 0.00 N ATOM 701 CA TYR A 47 2.616 -11.684 -10.583 1.00 0.00 C ATOM 702 C TYR A 47 3.763 -12.336 -11.348 1.00 0.00 C ATOM 703 O TYR A 47 4.240 -11.803 -12.351 1.00 0.00 O ATOM 704 CB TYR A 47 1.526 -11.237 -11.558 1.00 0.00 C ATOM 705 CG TYR A 47 2.009 -10.247 -12.594 1.00 0.00 C ATOM 706 CD1 TYR A 47 1.981 -8.880 -12.344 1.00 0.00 C ATOM 707 CD2 TYR A 47 2.493 -10.678 -13.823 1.00 0.00 C ATOM 708 CE1 TYR A 47 2.421 -7.972 -13.287 1.00 0.00 C ATOM 709 CE2 TYR A 47 2.937 -9.777 -14.772 1.00 0.00 C ATOM 710 CZ TYR A 47 2.898 -8.425 -14.500 1.00 0.00 C ATOM 711 OH TYR A 47 3.337 -7.525 -15.443 1.00 0.00 O ATOM 0 H TYR A 47 2.577 -9.682 -9.960 1.00 0.00 H new ATOM 0 HA TYR A 47 2.199 -12.419 -9.894 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.123 -12.113 -12.065 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.707 -10.790 -10.994 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.609 -8.522 -11.396 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.523 -11.735 -14.040 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.392 -6.913 -13.076 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.312 -10.129 -15.721 1.00 0.00 H new ATOM 0 HH TYR A 47 3.641 -8.008 -16.239 1.00 0.00 H new ATOM 721 N THR A 48 4.202 -13.496 -10.869 1.00 0.00 N ATOM 722 CA THR A 48 5.293 -14.223 -11.506 1.00 0.00 C ATOM 723 C THR A 48 4.970 -15.708 -11.622 1.00 0.00 C ATOM 724 O THR A 48 4.101 -16.221 -10.917 1.00 0.00 O ATOM 725 CB THR A 48 6.610 -14.055 -10.726 1.00 0.00 C ATOM 726 OG1 THR A 48 6.435 -14.481 -9.370 1.00 0.00 O ATOM 727 CG2 THR A 48 7.073 -12.606 -10.752 1.00 0.00 C ATOM 0 H THR A 48 3.818 -13.952 -10.041 1.00 0.00 H new ATOM 0 HA THR A 48 5.414 -13.801 -12.504 1.00 0.00 H new ATOM 0 HB THR A 48 7.371 -14.672 -11.204 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.212 -15.435 -9.353 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.005 -12.512 -10.195 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.234 -12.294 -11.784 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.312 -11.973 -10.296 1.00 0.00 H new ATOM 735 N ASN A 49 5.675 -16.395 -12.514 1.00 0.00 N ATOM 736 CA ASN A 49 5.463 -17.823 -12.722 1.00 0.00 C ATOM 737 C ASN A 49 5.447 -18.569 -11.392 1.00 0.00 C ATOM 738 O ASN A 49 4.714 -19.544 -11.224 1.00 0.00 O ATOM 739 CB ASN A 49 6.556 -18.395 -13.628 1.00 0.00 C ATOM 740 CG ASN A 49 6.372 -17.995 -15.079 1.00 0.00 C ATOM 741 OD1 ASN A 49 5.342 -18.284 -15.689 1.00 0.00 O ATOM 742 ND2 ASN A 49 7.373 -17.326 -15.639 1.00 0.00 N ATOM 0 H ASN A 49 6.399 -15.986 -13.105 1.00 0.00 H new ATOM 0 HA ASN A 49 4.495 -17.956 -13.204 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.530 -18.051 -13.280 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.556 -19.482 -13.551 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.307 -17.030 -16.613 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.208 -17.108 -15.095 1.00 0.00 H new ATOM 749 N ASP A 50 6.260 -18.105 -10.449 1.00 0.00 N ATOM 750 CA ASP A 50 6.338 -18.727 -9.132 1.00 0.00 C ATOM 751 C ASP A 50 5.600 -17.891 -8.091 1.00 0.00 C ATOM 752 O ASP A 50 5.413 -16.687 -8.267 1.00 0.00 O ATOM 753 CB ASP A 50 7.799 -18.909 -8.717 1.00 0.00 C ATOM 754 CG ASP A 50 8.397 -20.195 -9.252 1.00 0.00 C ATOM 755 OD1 ASP A 50 8.769 -20.225 -10.444 1.00 0.00 O ATOM 756 OD2 ASP A 50 8.493 -21.172 -8.479 1.00 0.00 O ATOM 0 H ASP A 50 6.874 -17.300 -10.572 1.00 0.00 H new ATOM 0 HA ASP A 50 5.860 -19.705 -9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.384 -18.063 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.868 -18.905 -7.629 1.00 0.00 H new ATOM 761 N SER A 51 5.183 -18.537 -7.008 1.00 0.00 N ATOM 762 CA SER A 51 4.461 -17.854 -5.941 1.00 0.00 C ATOM 763 C SER A 51 5.115 -16.515 -5.614 1.00 0.00 C ATOM 764 O SER A 51 6.225 -16.228 -6.062 1.00 0.00 O ATOM 765 CB SER A 51 4.412 -18.730 -4.687 1.00 0.00 C ATOM 766 OG SER A 51 3.706 -19.934 -4.933 1.00 0.00 O ATOM 0 H SER A 51 5.333 -19.533 -6.846 1.00 0.00 H new ATOM 0 HA SER A 51 3.444 -17.668 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.426 -18.960 -4.360 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.932 -18.183 -3.876 1.00 0.00 H new ATOM 0 HG SER A 51 3.690 -20.477 -4.117 1.00 0.00 H new ATOM 772 N ILE A 52 4.418 -15.700 -4.829 1.00 0.00 N ATOM 773 CA ILE A 52 4.930 -14.392 -4.441 1.00 0.00 C ATOM 774 C ILE A 52 5.952 -14.513 -3.315 1.00 0.00 C ATOM 775 O ILE A 52 6.833 -13.665 -3.168 1.00 0.00 O ATOM 776 CB ILE A 52 3.795 -13.454 -3.988 1.00 0.00 C ATOM 777 CG1 ILE A 52 2.949 -14.127 -2.905 1.00 0.00 C ATOM 778 CG2 ILE A 52 2.929 -13.060 -5.176 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.331 -13.152 -1.928 1.00 0.00 C ATOM 0 H ILE A 52 3.498 -15.923 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 52 5.411 -13.968 -5.323 1.00 0.00 H new ATOM 0 HB ILE A 52 4.236 -12.550 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.156 -14.704 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.571 -14.834 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.131 -12.397 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.541 -12.546 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.494 -13.955 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.746 -13.699 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.119 -12.592 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.682 -12.461 -2.465 1.00 0.00 H new ATOM 791 N PHE A 53 5.830 -15.574 -2.525 1.00 0.00 N ATOM 792 CA PHE A 53 6.744 -15.808 -1.413 1.00 0.00 C ATOM 793 C PHE A 53 8.193 -15.609 -1.849 1.00 0.00 C ATOM 794 O PHE A 53 9.075 -15.373 -1.022 1.00 0.00 O ATOM 795 CB PHE A 53 6.556 -17.222 -0.859 1.00 0.00 C ATOM 796 CG PHE A 53 5.333 -17.371 0.000 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.313 -16.873 1.293 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.204 -18.011 -0.484 1.00 0.00 C ATOM 799 CE1 PHE A 53 4.190 -17.008 2.086 1.00 0.00 C ATOM 800 CE2 PHE A 53 3.077 -18.149 0.304 1.00 0.00 C ATOM 801 CZ PHE A 53 3.070 -17.648 1.591 1.00 0.00 C ATOM 0 H PHE A 53 5.107 -16.286 -2.634 1.00 0.00 H new ATOM 0 HA PHE A 53 6.516 -15.085 -0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.494 -17.924 -1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.435 -17.495 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.186 -16.373 1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.204 -18.407 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.187 -16.614 3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.202 -18.648 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.191 -17.756 2.209 1.00 0.00 H new ATOM 811 N LEU A 54 8.431 -15.706 -3.152 1.00 0.00 N ATOM 812 CA LEU A 54 9.773 -15.538 -3.699 1.00 0.00 C ATOM 813 C LEU A 54 10.482 -14.355 -3.047 1.00 0.00 C ATOM 814 O LEU A 54 11.691 -14.394 -2.814 1.00 0.00 O ATOM 815 CB LEU A 54 9.705 -15.334 -5.214 1.00 0.00 C ATOM 816 CG LEU A 54 9.181 -16.518 -6.027 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.734 -16.062 -7.407 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.245 -17.600 -6.141 1.00 0.00 C ATOM 0 H LEU A 54 7.713 -15.900 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 54 10.342 -16.443 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.071 -14.471 -5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.704 -15.086 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 54 8.319 -16.937 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.364 -16.918 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.939 -15.323 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.578 -15.617 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.854 -18.435 -6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.126 -17.193 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.518 -17.948 -5.145 1.00 0.00 H new ATOM 830 N LYS A 55 9.723 -13.305 -2.752 1.00 0.00 N ATOM 831 CA LYS A 55 10.277 -12.112 -2.124 1.00 0.00 C ATOM 832 C LYS A 55 10.289 -12.253 -0.605 1.00 0.00 C ATOM 833 O LYS A 55 9.718 -13.195 -0.054 1.00 0.00 O ATOM 834 CB LYS A 55 9.467 -10.877 -2.525 1.00 0.00 C ATOM 835 CG LYS A 55 9.316 -10.710 -4.027 1.00 0.00 C ATOM 836 CD LYS A 55 10.595 -10.191 -4.662 1.00 0.00 C ATOM 837 CE LYS A 55 10.717 -8.682 -4.518 1.00 0.00 C ATOM 838 NZ LYS A 55 12.070 -8.195 -4.904 1.00 0.00 N ATOM 0 H LYS A 55 8.721 -13.256 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 55 11.304 -11.994 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.477 -10.940 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.948 -9.989 -2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.049 -11.667 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.499 -10.020 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.455 -10.673 -4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.613 -10.459 -5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.965 -8.196 -5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.510 -8.398 -3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.112 -7.162 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.786 -8.639 -4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.258 -8.443 -5.896 1.00 0.00 H new ATOM 852 N LYS A 56 10.942 -11.311 0.067 1.00 0.00 N ATOM 853 CA LYS A 56 11.027 -11.328 1.523 1.00 0.00 C ATOM 854 C LYS A 56 9.956 -10.435 2.140 1.00 0.00 C ATOM 855 O LYS A 56 9.203 -10.865 3.016 1.00 0.00 O ATOM 856 CB LYS A 56 12.414 -10.870 1.979 1.00 0.00 C ATOM 857 CG LYS A 56 13.447 -11.983 1.995 1.00 0.00 C ATOM 858 CD LYS A 56 14.618 -11.642 2.902 1.00 0.00 C ATOM 859 CE LYS A 56 15.694 -12.716 2.849 1.00 0.00 C ATOM 860 NZ LYS A 56 16.609 -12.528 1.689 1.00 0.00 N ATOM 0 H LYS A 56 11.421 -10.525 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 56 10.861 -12.351 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.760 -10.074 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.336 -10.444 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.981 -12.909 2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.809 -12.160 0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.044 -10.684 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.265 -11.529 3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.271 -12.698 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.224 -13.698 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.328 -13.280 1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.062 -12.571 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.077 -11.602 1.762 1.00 0.00 H new ATOM 874 N THR A 57 9.891 -9.190 1.679 1.00 0.00 N ATOM 875 CA THR A 57 8.912 -8.237 2.186 1.00 0.00 C ATOM 876 C THR A 57 8.132 -7.591 1.046 1.00 0.00 C ATOM 877 O THR A 57 8.650 -7.425 -0.059 1.00 0.00 O ATOM 878 CB THR A 57 9.584 -7.133 3.023 1.00 0.00 C ATOM 879 OG1 THR A 57 10.813 -7.617 3.576 1.00 0.00 O ATOM 880 CG2 THR A 57 8.666 -6.668 4.143 1.00 0.00 C ATOM 0 H THR A 57 10.505 -8.818 0.955 1.00 0.00 H new ATOM 0 HA THR A 57 8.225 -8.797 2.821 1.00 0.00 H new ATOM 0 HB THR A 57 9.789 -6.286 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.235 -6.908 4.105 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.163 -5.888 4.720 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.744 -6.273 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.433 -7.510 4.795 1.00 0.00 H new ATOM 888 N LEU A 58 6.884 -7.228 1.321 1.00 0.00 N ATOM 889 CA LEU A 58 6.032 -6.599 0.318 1.00 0.00 C ATOM 890 C LEU A 58 5.487 -5.267 0.824 1.00 0.00 C ATOM 891 O LEU A 58 5.475 -5.007 2.027 1.00 0.00 O ATOM 892 CB LEU A 58 4.875 -7.528 -0.053 1.00 0.00 C ATOM 893 CG LEU A 58 5.243 -8.765 -0.872 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.993 -9.428 -1.430 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.200 -8.395 -1.996 1.00 0.00 C ATOM 0 H LEU A 58 6.440 -7.358 2.230 1.00 0.00 H new ATOM 0 HA LEU A 58 6.637 -6.410 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.390 -7.857 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.138 -6.952 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 58 5.743 -9.476 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.275 -10.307 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.343 -9.729 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.464 -8.724 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.451 -9.288 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.726 -7.665 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.109 -7.967 -1.574 1.00 0.00 H new ATOM 907 N TYR A 59 5.036 -4.428 -0.102 1.00 0.00 N ATOM 908 CA TYR A 59 4.490 -3.123 0.250 1.00 0.00 C ATOM 909 C TYR A 59 2.984 -3.079 0.008 1.00 0.00 C ATOM 910 O TYR A 59 2.471 -3.733 -0.900 1.00 0.00 O ATOM 911 CB TYR A 59 5.180 -2.023 -0.558 1.00 0.00 C ATOM 912 CG TYR A 59 6.601 -2.360 -0.948 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.521 -2.785 0.003 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.024 -2.254 -2.267 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.821 -3.093 -0.349 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.322 -2.561 -2.628 1.00 0.00 C ATOM 917 CZ TYR A 59 9.217 -2.980 -1.666 1.00 0.00 C ATOM 918 OH TYR A 59 10.510 -3.287 -2.021 1.00 0.00 O ATOM 0 H TYR A 59 5.038 -4.629 -1.102 1.00 0.00 H new ATOM 0 HA TYR A 59 4.674 -2.955 1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.601 -1.829 -1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.181 -1.102 0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.215 -2.876 1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.326 -1.926 -3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.524 -3.421 0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.634 -2.473 -3.658 1.00 0.00 H new ATOM 0 HH TYR A 59 10.624 -3.156 -2.985 1.00 0.00 H new ATOM 928 N ILE A 60 2.282 -2.303 0.826 1.00 0.00 N ATOM 929 CA ILE A 60 0.836 -2.171 0.701 1.00 0.00 C ATOM 930 C ILE A 60 0.447 -0.757 0.283 1.00 0.00 C ATOM 931 O ILE A 60 0.760 0.225 0.957 1.00 0.00 O ATOM 932 CB ILE A 60 0.122 -2.519 2.020 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.479 -3.940 2.459 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.384 -2.369 1.863 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.068 -5.001 1.463 1.00 0.00 C ATOM 0 H ILE A 60 2.691 -1.756 1.583 1.00 0.00 H new ATOM 0 HA ILE A 60 0.521 -2.875 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 60 0.458 -1.826 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.555 -4.002 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.001 -4.147 3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.875 -2.619 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.621 -1.340 1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.737 -3.041 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.352 -5.983 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.012 -4.966 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.567 -4.819 0.511 1.00 0.00 H new ATOM 947 N PRO A 61 -0.254 -0.648 -0.856 1.00 0.00 N ATOM 948 CA PRO A 61 -0.704 0.641 -1.388 1.00 0.00 C ATOM 949 C PRO A 61 -1.802 1.269 -0.537 1.00 0.00 C ATOM 950 O PRO A 61 -2.896 0.717 -0.412 1.00 0.00 O ATOM 951 CB PRO A 61 -1.242 0.284 -2.776 1.00 0.00 C ATOM 952 CG PRO A 61 -1.633 -1.150 -2.673 1.00 0.00 C ATOM 953 CD PRO A 61 -0.663 -1.776 -1.710 1.00 0.00 C ATOM 0 HA PRO A 61 0.099 1.378 -1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.094 0.909 -3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.484 0.434 -3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.658 -1.250 -2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.586 -1.638 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.130 -2.571 -1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.189 -2.218 -2.228 1.00 0.00 H new ATOM 961 N ILE A 62 -1.504 2.425 0.046 1.00 0.00 N ATOM 962 CA ILE A 62 -2.467 3.128 0.884 1.00 0.00 C ATOM 963 C ILE A 62 -3.348 4.054 0.052 1.00 0.00 C ATOM 964 O ILE A 62 -2.889 5.081 -0.450 1.00 0.00 O ATOM 965 CB ILE A 62 -1.765 3.953 1.979 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.764 3.083 2.741 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.790 4.550 2.932 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.124 3.866 3.682 1.00 0.00 C ATOM 0 H ILE A 62 -0.603 2.895 -0.047 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.088 2.367 1.356 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.220 4.769 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.309 2.330 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.139 2.550 2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.278 5.130 3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.467 5.200 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.360 3.749 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.808 3.185 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.696 4.601 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.492 4.378 4.422 1.00 0.00 H new ATOM 980 N LEU A 63 -4.616 3.685 -0.091 1.00 0.00 N ATOM 981 CA LEU A 63 -5.563 4.483 -0.861 1.00 0.00 C ATOM 982 C LEU A 63 -6.507 5.248 0.061 1.00 0.00 C ATOM 983 O LEU A 63 -7.422 4.671 0.650 1.00 0.00 O ATOM 984 CB LEU A 63 -6.368 3.586 -1.803 1.00 0.00 C ATOM 985 CG LEU A 63 -5.553 2.698 -2.744 1.00 0.00 C ATOM 986 CD1 LEU A 63 -6.444 1.650 -3.393 1.00 0.00 C ATOM 987 CD2 LEU A 63 -4.858 3.541 -3.803 1.00 0.00 C ATOM 0 H LEU A 63 -5.012 2.838 0.316 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.997 5.204 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.013 2.947 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.019 4.218 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.790 2.184 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.847 1.027 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.895 1.027 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.230 2.144 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.283 2.893 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.604 4.082 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.189 4.253 -3.320 1.00 0.00 H new ATOM 999 N THR A 64 -6.281 6.553 0.181 1.00 0.00 N ATOM 1000 CA THR A 64 -7.111 7.398 1.030 1.00 0.00 C ATOM 1001 C THR A 64 -7.629 8.609 0.263 1.00 0.00 C ATOM 1002 O THR A 64 -7.020 9.041 -0.715 1.00 0.00 O ATOM 1003 CB THR A 64 -6.335 7.883 2.270 1.00 0.00 C ATOM 1004 OG1 THR A 64 -7.177 8.708 3.082 1.00 0.00 O ATOM 1005 CG2 THR A 64 -5.095 8.663 1.861 1.00 0.00 C ATOM 0 H THR A 64 -5.529 7.047 -0.300 1.00 0.00 H new ATOM 0 HA THR A 64 -7.955 6.789 1.354 1.00 0.00 H new ATOM 0 HB THR A 64 -6.023 7.009 2.841 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.677 9.011 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.563 8.995 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.442 8.023 1.267 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.389 9.530 1.270 1.00 0.00 H new ATOM 1013 N GLU A 65 -8.755 9.152 0.714 1.00 0.00 N ATOM 1014 CA GLU A 65 -9.354 10.314 0.067 1.00 0.00 C ATOM 1015 C GLU A 65 -8.648 11.597 0.493 1.00 0.00 C ATOM 1016 O GLU A 65 -8.129 11.711 1.604 1.00 0.00 O ATOM 1017 CB GLU A 65 -10.844 10.402 0.406 1.00 0.00 C ATOM 1018 CG GLU A 65 -11.731 9.609 -0.539 1.00 0.00 C ATOM 1019 CD GLU A 65 -13.193 9.652 -0.139 1.00 0.00 C ATOM 1020 OE1 GLU A 65 -13.909 10.566 -0.600 1.00 0.00 O ATOM 1021 OE2 GLU A 65 -13.622 8.770 0.635 1.00 0.00 O ATOM 0 H GLU A 65 -9.270 8.807 1.524 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.240 10.197 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.998 10.042 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.151 11.448 0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.623 10.003 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.395 8.572 -0.563 1.00 0.00 H new ATOM 1028 N PRO A 66 -8.625 12.588 -0.412 1.00 0.00 N ATOM 1029 CA PRO A 66 -7.986 13.881 -0.153 1.00 0.00 C ATOM 1030 C PRO A 66 -8.745 14.708 0.878 1.00 0.00 C ATOM 1031 O PRO A 66 -8.330 15.813 1.230 1.00 0.00 O ATOM 1032 CB PRO A 66 -8.016 14.571 -1.520 1.00 0.00 C ATOM 1033 CG PRO A 66 -9.164 13.945 -2.234 1.00 0.00 C ATOM 1034 CD PRO A 66 -9.224 12.521 -1.755 1.00 0.00 C ATOM 0 HA PRO A 66 -6.984 13.765 0.260 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.153 15.647 -1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.082 14.419 -2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.093 14.470 -2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.022 13.988 -3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.249 12.152 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.666 11.852 -2.411 1.00 0.00 H new ATOM 1042 N ARG A 67 -9.859 14.166 1.360 1.00 0.00 N ATOM 1043 CA ARG A 67 -10.677 14.855 2.351 1.00 0.00 C ATOM 1044 C ARG A 67 -10.013 14.818 3.725 1.00 0.00 C ATOM 1045 O ARG A 67 -9.666 15.857 4.286 1.00 0.00 O ATOM 1046 CB ARG A 67 -12.067 14.220 2.427 1.00 0.00 C ATOM 1047 CG ARG A 67 -13.104 15.105 3.098 1.00 0.00 C ATOM 1048 CD ARG A 67 -14.502 14.824 2.569 1.00 0.00 C ATOM 1049 NE ARG A 67 -15.409 15.946 2.795 1.00 0.00 N ATOM 1050 CZ ARG A 67 -15.995 16.194 3.961 1.00 0.00 C ATOM 1051 NH1 ARG A 67 -15.771 15.403 5.001 1.00 0.00 N ATOM 1052 NH2 ARG A 67 -16.808 17.235 4.088 1.00 0.00 N ATOM 0 H ARG A 67 -10.216 13.252 1.080 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.777 15.896 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.404 13.981 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.998 13.278 2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.082 14.941 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.854 16.152 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.449 14.610 1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.900 13.933 3.054 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.603 16.574 2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -15.147 14.601 4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -16.222 15.596 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.983 17.845 3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -17.258 17.425 4.984 1.00 0.00 H new ATOM 1066 N ASP A 68 -9.840 13.614 4.260 1.00 0.00 N ATOM 1067 CA ASP A 68 -9.218 13.441 5.567 1.00 0.00 C ATOM 1068 C ASP A 68 -7.703 13.596 5.472 1.00 0.00 C ATOM 1069 O ASP A 68 -7.057 12.981 4.623 1.00 0.00 O ATOM 1070 CB ASP A 68 -9.567 12.068 6.144 1.00 0.00 C ATOM 1071 CG ASP A 68 -9.403 12.014 7.650 1.00 0.00 C ATOM 1072 OD1 ASP A 68 -9.556 13.068 8.302 1.00 0.00 O ATOM 1073 OD2 ASP A 68 -9.122 10.917 8.177 1.00 0.00 O ATOM 0 H ASP A 68 -10.122 12.744 3.808 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.604 14.214 6.231 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.596 11.819 5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.930 11.312 5.685 1.00 0.00 H new ATOM 1078 N LEU A 69 -7.143 14.423 6.348 1.00 0.00 N ATOM 1079 CA LEU A 69 -5.704 14.661 6.364 1.00 0.00 C ATOM 1080 C LEU A 69 -5.049 13.962 7.551 1.00 0.00 C ATOM 1081 O LEU A 69 -5.628 13.881 8.634 1.00 0.00 O ATOM 1082 CB LEU A 69 -5.415 16.162 6.418 1.00 0.00 C ATOM 1083 CG LEU A 69 -5.519 16.914 5.091 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -4.433 16.455 4.131 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -6.897 16.720 4.474 1.00 0.00 C ATOM 0 H LEU A 69 -7.664 14.940 7.057 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.283 14.250 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.105 16.619 7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.410 16.304 6.815 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.377 17.977 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.523 17.001 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.454 16.647 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.542 15.387 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.953 17.262 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.069 15.659 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.658 17.100 5.156 1.00 0.00 H new ATOM 1097 N PHE A 70 -3.836 13.460 7.340 1.00 0.00 N ATOM 1098 CA PHE A 70 -3.101 12.769 8.393 1.00 0.00 C ATOM 1099 C PHE A 70 -1.685 13.322 8.521 1.00 0.00 C ATOM 1100 O PHE A 70 -0.813 13.018 7.709 1.00 0.00 O ATOM 1101 CB PHE A 70 -3.050 11.267 8.107 1.00 0.00 C ATOM 1102 CG PHE A 70 -2.061 10.527 8.962 1.00 0.00 C ATOM 1103 CD1 PHE A 70 -2.134 10.592 10.344 1.00 0.00 C ATOM 1104 CD2 PHE A 70 -1.057 9.768 8.383 1.00 0.00 C ATOM 1105 CE1 PHE A 70 -1.226 9.912 11.133 1.00 0.00 C ATOM 1106 CE2 PHE A 70 -0.146 9.086 9.167 1.00 0.00 C ATOM 1107 CZ PHE A 70 -0.230 9.159 10.544 1.00 0.00 C ATOM 0 H PHE A 70 -3.342 13.519 6.450 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.623 12.935 9.335 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.042 10.842 8.262 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.798 11.113 7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.910 11.181 10.810 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.985 9.709 7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.295 9.970 12.209 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.631 8.496 8.704 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.482 8.628 11.158 1.00 0.00 H new ATOM 1117 N ASN A 71 -1.466 14.138 9.547 1.00 0.00 N ATOM 1118 CA ASN A 71 -0.156 14.736 9.782 1.00 0.00 C ATOM 1119 C ASN A 71 0.008 15.129 11.247 1.00 0.00 C ATOM 1120 O ASN A 71 -0.972 15.401 11.941 1.00 0.00 O ATOM 1121 CB ASN A 71 0.035 15.963 8.889 1.00 0.00 C ATOM 1122 CG ASN A 71 1.411 16.582 9.043 1.00 0.00 C ATOM 1123 OD1 ASN A 71 1.545 17.718 9.498 1.00 0.00 O ATOM 1124 ND2 ASN A 71 2.441 15.836 8.663 1.00 0.00 N ATOM 0 H ASN A 71 -2.178 14.400 10.229 1.00 0.00 H new ATOM 0 HA ASN A 71 0.604 13.994 9.536 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.118 15.679 7.848 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.724 16.707 9.131 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.391 16.199 8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.283 14.899 8.291 1.00 0.00 H new ATOM 1131 N SER A 72 1.254 15.156 11.711 1.00 0.00 N ATOM 1132 CA SER A 72 1.546 15.512 13.094 1.00 0.00 C ATOM 1133 C SER A 72 2.780 16.406 13.175 1.00 0.00 C ATOM 1134 O SER A 72 3.896 15.969 12.897 1.00 0.00 O ATOM 1135 CB SER A 72 1.760 14.251 13.933 1.00 0.00 C ATOM 1136 OG SER A 72 2.290 14.571 15.208 1.00 0.00 O ATOM 0 H SER A 72 2.076 14.936 11.149 1.00 0.00 H new ATOM 0 HA SER A 72 0.693 16.063 13.490 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.813 13.724 14.051 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.439 13.575 13.413 1.00 0.00 H new ATOM 0 HG SER A 72 2.416 13.748 15.726 1.00 0.00 H new ATOM 1142 N GLY A 73 2.570 17.662 13.559 1.00 0.00 N ATOM 1143 CA GLY A 73 3.673 18.598 13.670 1.00 0.00 C ATOM 1144 C GLY A 73 4.717 18.148 14.673 1.00 0.00 C ATOM 1145 O GLY A 73 4.420 17.900 15.841 1.00 0.00 O ATOM 0 H GLY A 73 1.656 18.047 13.795 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.141 18.721 12.693 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.288 19.575 13.964 1.00 0.00 H new ATOM 1149 N PRO A 74 5.973 18.035 14.215 1.00 0.00 N ATOM 1150 CA PRO A 74 7.089 17.609 15.064 1.00 0.00 C ATOM 1151 C PRO A 74 7.459 18.661 16.105 1.00 0.00 C ATOM 1152 O PRO A 74 6.916 19.765 16.106 1.00 0.00 O ATOM 1153 CB PRO A 74 8.237 17.414 14.070 1.00 0.00 C ATOM 1154 CG PRO A 74 7.900 18.305 12.924 1.00 0.00 C ATOM 1155 CD PRO A 74 6.399 18.314 12.833 1.00 0.00 C ATOM 0 HA PRO A 74 6.847 16.714 15.637 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.195 17.685 14.514 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.315 16.374 13.754 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.287 19.311 13.085 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.345 17.937 12.000 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.023 19.275 12.483 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.034 17.557 12.139 1.00 0.00 H new ATOM 1163 N SER A 75 8.387 18.310 16.990 1.00 0.00 N ATOM 1164 CA SER A 75 8.827 19.223 18.039 1.00 0.00 C ATOM 1165 C SER A 75 10.202 19.798 17.716 1.00 0.00 C ATOM 1166 O SER A 75 10.357 21.007 17.543 1.00 0.00 O ATOM 1167 CB SER A 75 8.867 18.502 19.388 1.00 0.00 C ATOM 1168 OG SER A 75 8.680 19.412 20.458 1.00 0.00 O ATOM 0 H SER A 75 8.848 17.400 17.002 1.00 0.00 H new ATOM 0 HA SER A 75 8.113 20.044 18.095 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.092 17.736 19.418 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.823 17.992 19.503 1.00 0.00 H new ATOM 0 HG SER A 75 8.708 18.927 21.309 1.00 0.00 H new ATOM 1174 N SER A 76 11.199 18.923 17.637 1.00 0.00 N ATOM 1175 CA SER A 76 12.564 19.343 17.339 1.00 0.00 C ATOM 1176 C SER A 76 13.166 20.107 18.514 1.00 0.00 C ATOM 1177 O SER A 76 13.852 21.111 18.330 1.00 0.00 O ATOM 1178 CB SER A 76 12.588 20.215 16.082 1.00 0.00 C ATOM 1179 OG SER A 76 13.816 20.077 15.389 1.00 0.00 O ATOM 0 H SER A 76 11.088 17.919 17.775 1.00 0.00 H new ATOM 0 HA SER A 76 13.163 18.450 17.164 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.763 19.936 15.426 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.437 21.259 16.357 1.00 0.00 H new ATOM 0 HG SER A 76 13.806 20.643 14.589 1.00 0.00 H new ATOM 1185 N GLY A 77 12.903 19.622 19.724 1.00 0.00 N ATOM 1186 CA GLY A 77 13.425 20.271 20.913 1.00 0.00 C ATOM 1187 C GLY A 77 14.592 19.517 21.519 1.00 0.00 C ATOM 1188 O GLY A 77 14.509 18.310 21.745 1.00 0.00 O ATOM 0 H GLY A 77 12.338 18.792 19.902 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.741 21.283 20.662 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.630 20.360 21.653 1.00 0.00 H new TER 1192 GLY A 77