USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 513 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 39 SER OG : rot -61:sc= 0.115! USER MOD Set 1.2: A 68 LYS NZ :NH3+ 153:sc= 0.171 (180deg=-0.0263) USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= -3.86! USER MOD Set 2.2: A 24 ASN : amide:sc= -9.26! C(o=-13!,f=-14!) USER MOD Set 2.3: A 46 ASN :FLIP amide:sc= -0.146 F(o=-14,f=-13) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -67:sc= 1.2 USER MOD Single : A 4 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.087) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -176:sc= -3.21! USER MOD Single : A 15 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 17 ASN : amide:sc= -16.1! C(o=-16!,f=-22!) USER MOD Single : A 20 SER OG : rot -72:sc= 0.767 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.0844 F(o=-0.61,f=-0.084) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.897 USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= -1.24 (180deg=-1.68) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 38 THR OG1 : rot 89:sc= -3.74! USER MOD Single : A 57 THR OG1 : rot -56:sc= -8.86! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -164:sc= -7.03! (180deg=-8.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.270 -9.603 -7.031 1.00 0.00 N ATOM 2 CA SER A 1 12.675 -10.997 -6.706 1.00 0.00 C ATOM 3 C SER A 1 12.547 -11.272 -5.212 1.00 0.00 C ATOM 4 O SER A 1 13.538 -11.262 -4.481 1.00 0.00 O ATOM 5 CB SER A 1 14.121 -11.202 -7.159 1.00 0.00 C ATOM 6 OG SER A 1 14.770 -12.180 -6.366 1.00 0.00 O ATOM 0 H1 SER A 1 12.367 -9.443 -8.054 1.00 0.00 H new ATOM 0 H2 SER A 1 11.280 -9.455 -6.749 1.00 0.00 H new ATOM 0 H3 SER A 1 12.880 -8.936 -6.517 1.00 0.00 H new ATOM 0 HA SER A 1 12.016 -11.693 -7.226 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.138 -11.508 -8.205 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.663 -10.259 -7.094 1.00 0.00 H new ATOM 0 HG SER A 1 14.867 -11.846 -5.450 1.00 0.00 H new ATOM 14 N ALA A 2 11.320 -11.519 -4.764 1.00 0.00 N ATOM 15 CA ALA A 2 11.061 -11.798 -3.357 1.00 0.00 C ATOM 16 C ALA A 2 11.581 -10.672 -2.469 1.00 0.00 C ATOM 17 O ALA A 2 12.775 -10.602 -2.176 1.00 0.00 O ATOM 18 CB ALA A 2 11.692 -13.123 -2.958 1.00 0.00 C ATOM 0 H ALA A 2 10.489 -11.531 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 2 9.982 -11.865 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.491 -13.319 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.269 -13.924 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.769 -13.076 -3.119 1.00 0.00 H new ATOM 24 N ASP A 3 10.679 -9.795 -2.043 1.00 0.00 N ATOM 25 CA ASP A 3 11.047 -8.672 -1.189 1.00 0.00 C ATOM 26 C ASP A 3 10.536 -8.881 0.234 1.00 0.00 C ATOM 27 O ASP A 3 11.302 -8.813 1.196 1.00 0.00 O ATOM 28 CB ASP A 3 10.489 -7.367 -1.757 1.00 0.00 C ATOM 29 CG ASP A 3 11.573 -6.477 -2.334 1.00 0.00 C ATOM 30 OD1 ASP A 3 12.746 -6.906 -2.352 1.00 0.00 O ATOM 31 OD2 ASP A 3 11.249 -5.351 -2.767 1.00 0.00 O ATOM 0 H ASP A 3 9.687 -9.840 -2.275 1.00 0.00 H new ATOM 0 HA ASP A 3 12.135 -8.611 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.758 -7.595 -2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.961 -6.828 -0.970 1.00 0.00 H new ATOM 36 N GLN A 4 9.238 -9.136 0.359 1.00 0.00 N ATOM 37 CA GLN A 4 8.623 -9.354 1.662 1.00 0.00 C ATOM 38 C GLN A 4 8.771 -8.120 2.546 1.00 0.00 C ATOM 39 O GLN A 4 9.569 -8.106 3.482 1.00 0.00 O ATOM 40 CB GLN A 4 9.251 -10.568 2.351 1.00 0.00 C ATOM 41 CG GLN A 4 9.965 -11.508 1.393 1.00 0.00 C ATOM 42 CD GLN A 4 9.862 -12.960 1.818 1.00 0.00 C ATOM 43 OE1 GLN A 4 10.868 -13.662 1.919 1.00 0.00 O ATOM 44 NE2 GLN A 4 8.640 -13.417 2.070 1.00 0.00 N ATOM 0 H GLN A 4 8.591 -9.197 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 4 7.561 -9.543 1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 4 9.960 -10.222 3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.472 -11.121 2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 4 9.542 -11.394 0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.016 -11.226 1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.834 -12.799 1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.508 -14.386 2.360 1.00 0.00 H new ATOM 53 N PRO A 5 7.996 -7.065 2.253 1.00 0.00 N ATOM 54 CA PRO A 5 8.035 -5.816 3.020 1.00 0.00 C ATOM 55 C PRO A 5 7.917 -6.053 4.521 1.00 0.00 C ATOM 56 O PRO A 5 7.091 -6.846 4.971 1.00 0.00 O ATOM 57 CB PRO A 5 6.818 -5.048 2.500 1.00 0.00 C ATOM 58 CG PRO A 5 6.614 -5.562 1.118 1.00 0.00 C ATOM 59 CD PRO A 5 7.020 -7.010 1.151 1.00 0.00 C ATOM 0 HA PRO A 5 8.979 -5.286 2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.941 -5.225 3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.997 -3.973 2.501 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.573 -5.455 0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.216 -5.004 0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.167 -7.663 1.337 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.463 -7.325 0.206 1.00 0.00 H new ATOM 67 N LYS A 6 8.750 -5.360 5.291 1.00 0.00 N ATOM 68 CA LYS A 6 8.740 -5.495 6.743 1.00 0.00 C ATOM 69 C LYS A 6 7.484 -4.869 7.341 1.00 0.00 C ATOM 70 O LYS A 6 6.640 -4.337 6.621 1.00 0.00 O ATOM 71 CB LYS A 6 9.985 -4.839 7.344 1.00 0.00 C ATOM 72 CG LYS A 6 11.252 -5.094 6.544 1.00 0.00 C ATOM 73 CD LYS A 6 12.493 -4.701 7.327 1.00 0.00 C ATOM 74 CE LYS A 6 12.754 -5.662 8.475 1.00 0.00 C ATOM 75 NZ LYS A 6 14.181 -6.081 8.536 1.00 0.00 N ATOM 0 H LYS A 6 9.440 -4.699 4.934 1.00 0.00 H new ATOM 0 HA LYS A 6 8.743 -6.558 6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.821 -3.764 7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.126 -5.208 8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.308 -6.149 6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.215 -4.530 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.355 -4.686 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.374 -3.690 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.475 -5.188 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.122 -6.543 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.317 -6.736 9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.441 -6.556 7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.783 -5.244 8.670 1.00 0.00 H new ATOM 89 N GLU A 7 7.367 -4.940 8.663 1.00 0.00 N ATOM 90 CA GLU A 7 6.215 -4.380 9.360 1.00 0.00 C ATOM 91 C GLU A 7 6.250 -2.855 9.332 1.00 0.00 C ATOM 92 O GLU A 7 6.276 -2.207 10.378 1.00 0.00 O ATOM 93 CB GLU A 7 6.180 -4.875 10.807 1.00 0.00 C ATOM 94 CG GLU A 7 7.456 -4.583 11.580 1.00 0.00 C ATOM 95 CD GLU A 7 7.659 -5.526 12.749 1.00 0.00 C ATOM 96 OE1 GLU A 7 7.047 -5.293 13.813 1.00 0.00 O ATOM 97 OE2 GLU A 7 8.431 -6.497 12.601 1.00 0.00 O ATOM 0 H GLU A 7 8.056 -5.380 9.273 1.00 0.00 H new ATOM 0 HA GLU A 7 5.313 -4.713 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.339 -4.410 11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.001 -5.950 10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.309 -4.657 10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.427 -3.557 11.947 1.00 0.00 H new ATOM 104 N GLU A 8 6.253 -2.289 8.130 1.00 0.00 N ATOM 105 CA GLU A 8 6.287 -0.841 7.967 1.00 0.00 C ATOM 106 C GLU A 8 4.883 -0.281 7.766 1.00 0.00 C ATOM 107 O GLU A 8 4.245 -0.528 6.742 1.00 0.00 O ATOM 108 CB GLU A 8 7.174 -0.463 6.780 1.00 0.00 C ATOM 109 CG GLU A 8 8.588 -1.012 6.879 1.00 0.00 C ATOM 110 CD GLU A 8 9.617 -0.087 6.259 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.219 0.963 5.711 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.821 -0.412 6.320 1.00 0.00 O ATOM 0 H GLU A 8 6.232 -2.811 7.254 1.00 0.00 H new ATOM 0 HA GLU A 8 6.703 -0.408 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.714 -0.829 5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.219 0.623 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.837 -1.176 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.633 -1.982 6.385 1.00 0.00 H new ATOM 119 N LYS A 9 4.405 0.475 8.750 1.00 0.00 N ATOM 120 CA LYS A 9 3.076 1.070 8.681 1.00 0.00 C ATOM 121 C LYS A 9 3.161 2.546 8.302 1.00 0.00 C ATOM 122 O LYS A 9 3.929 3.306 8.892 1.00 0.00 O ATOM 123 CB LYS A 9 2.350 0.908 10.019 1.00 0.00 C ATOM 124 CG LYS A 9 2.617 2.036 11.002 1.00 0.00 C ATOM 125 CD LYS A 9 1.673 3.205 10.780 1.00 0.00 C ATOM 126 CE LYS A 9 2.392 4.537 10.921 1.00 0.00 C ATOM 127 NZ LYS A 9 2.062 5.214 12.205 1.00 0.00 N ATOM 0 H LYS A 9 4.919 0.690 9.604 1.00 0.00 H new ATOM 0 HA LYS A 9 2.510 0.550 7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.278 0.845 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.651 -0.036 10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.505 1.666 12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.648 2.375 10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.230 3.133 9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.855 3.154 11.498 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.468 4.376 10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.120 5.186 10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.572 6.118 12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.038 5.391 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.345 4.606 13.000 1.00 0.00 H new ATOM 141 N LYS A 10 2.365 2.943 7.315 1.00 0.00 N ATOM 142 CA LYS A 10 2.346 4.324 6.851 1.00 0.00 C ATOM 143 C LYS A 10 0.961 4.701 6.339 1.00 0.00 C ATOM 144 O LYS A 10 0.021 3.911 6.426 1.00 0.00 O ATOM 145 CB LYS A 10 3.381 4.525 5.743 1.00 0.00 C ATOM 146 CG LYS A 10 4.419 5.584 6.066 1.00 0.00 C ATOM 147 CD LYS A 10 4.981 5.404 7.466 1.00 0.00 C ATOM 148 CE LYS A 10 6.233 6.240 7.673 1.00 0.00 C ATOM 149 NZ LYS A 10 6.849 5.998 9.008 1.00 0.00 N ATOM 0 H LYS A 10 1.722 2.325 6.820 1.00 0.00 H new ATOM 0 HA LYS A 10 2.595 4.970 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.887 3.578 5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.867 4.801 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.229 5.535 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.971 6.574 5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.227 5.686 8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.212 4.352 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.957 6.009 6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.984 7.297 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.700 6.587 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.167 6.243 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.110 4.995 9.093 1.00 0.00 H new ATOM 163 N GLU A 11 0.842 5.909 5.801 1.00 0.00 N ATOM 164 CA GLU A 11 -0.429 6.386 5.270 1.00 0.00 C ATOM 165 C GLU A 11 -0.680 5.813 3.880 1.00 0.00 C ATOM 166 O GLU A 11 0.074 6.078 2.944 1.00 0.00 O ATOM 167 CB GLU A 11 -0.443 7.915 5.217 1.00 0.00 C ATOM 168 CG GLU A 11 0.419 8.568 6.286 1.00 0.00 C ATOM 169 CD GLU A 11 0.142 10.051 6.432 1.00 0.00 C ATOM 170 OE1 GLU A 11 -1.035 10.451 6.313 1.00 0.00 O ATOM 171 OE2 GLU A 11 1.103 10.814 6.667 1.00 0.00 O ATOM 0 H GLU A 11 1.610 6.576 5.721 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.225 6.048 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.098 8.240 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.470 8.265 5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.243 8.073 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.471 8.421 6.040 1.00 0.00 H new ATOM 178 N CYS A 12 -1.743 5.025 3.751 1.00 0.00 N ATOM 179 CA CYS A 12 -2.089 4.419 2.473 1.00 0.00 C ATOM 180 C CYS A 12 -2.298 5.491 1.412 1.00 0.00 C ATOM 181 O CYS A 12 -2.475 6.668 1.732 1.00 0.00 O ATOM 182 CB CYS A 12 -3.347 3.559 2.613 1.00 0.00 C ATOM 183 SG CYS A 12 -3.882 2.755 1.068 1.00 0.00 S ATOM 0 H CYS A 12 -2.378 4.792 4.515 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.263 3.780 2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.166 2.791 3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.160 4.183 2.984 1.00 0.00 H new ATOM 188 N TYR A 13 -2.269 5.086 0.150 1.00 0.00 N ATOM 189 CA TYR A 13 -2.450 6.023 -0.949 1.00 0.00 C ATOM 190 C TYR A 13 -3.174 5.364 -2.119 1.00 0.00 C ATOM 191 O TYR A 13 -2.545 4.760 -2.988 1.00 0.00 O ATOM 192 CB TYR A 13 -1.093 6.560 -1.405 1.00 0.00 C ATOM 193 CG TYR A 13 -0.747 7.908 -0.826 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.338 8.038 0.494 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.821 9.049 -1.604 1.00 0.00 C ATOM 196 CE1 TYR A 13 -0.016 9.272 1.021 1.00 0.00 C ATOM 197 CE2 TYR A 13 -0.501 10.286 -1.090 1.00 0.00 C ATOM 198 CZ TYR A 13 -0.099 10.396 0.223 1.00 0.00 C ATOM 199 OH TYR A 13 0.219 11.630 0.741 1.00 0.00 O ATOM 0 H TYR A 13 -2.122 4.118 -0.137 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.064 6.851 -0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.318 5.846 -1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.087 6.630 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.271 7.159 1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.136 8.968 -2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.299 9.358 2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.565 11.166 -1.713 1.00 0.00 H new ATOM 0 HH TYR A 13 0.108 12.314 0.048 1.00 0.00 H new ATOM 209 N TYR A 14 -4.498 5.484 -2.134 1.00 0.00 N ATOM 210 CA TYR A 14 -5.304 4.899 -3.199 1.00 0.00 C ATOM 211 C TYR A 14 -4.989 5.556 -4.538 1.00 0.00 C ATOM 212 O TYR A 14 -4.617 4.874 -5.493 1.00 0.00 O ATOM 213 CB TYR A 14 -6.791 5.031 -2.879 1.00 0.00 C ATOM 214 CG TYR A 14 -7.303 3.958 -1.943 1.00 0.00 C ATOM 215 CD1 TYR A 14 -7.561 2.671 -2.403 1.00 0.00 C ATOM 216 CD2 TYR A 14 -7.526 4.232 -0.600 1.00 0.00 C ATOM 217 CE1 TYR A 14 -8.028 1.690 -1.549 1.00 0.00 C ATOM 218 CE2 TYR A 14 -7.992 3.256 0.260 1.00 0.00 C ATOM 219 CZ TYR A 14 -8.242 1.987 -0.219 1.00 0.00 C ATOM 220 OH TYR A 14 -8.706 1.013 0.634 1.00 0.00 O ATOM 0 H TYR A 14 -5.034 5.980 -1.422 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.057 3.840 -3.270 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.973 6.009 -2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.360 4.993 -3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.394 2.435 -3.443 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.332 5.225 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.225 0.695 -1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.160 3.486 1.302 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.862 1.402 1.520 1.00 0.00 H new ATOM 230 N ASN A 15 -5.119 6.881 -4.605 1.00 0.00 N ATOM 231 CA ASN A 15 -4.817 7.604 -5.835 1.00 0.00 C ATOM 232 C ASN A 15 -3.394 7.264 -6.270 1.00 0.00 C ATOM 233 O ASN A 15 -3.142 6.155 -6.726 1.00 0.00 O ATOM 234 CB ASN A 15 -4.981 9.112 -5.631 1.00 0.00 C ATOM 235 CG ASN A 15 -6.413 9.570 -5.833 1.00 0.00 C ATOM 236 OD1 ASN A 15 -7.362 8.767 -5.365 1.00 0.00 O flip ATOM 237 ND2 ASN A 15 -6.663 10.631 -6.404 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.428 7.468 -3.830 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.515 7.303 -6.616 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.656 9.377 -4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.331 9.643 -6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.902 11.217 -6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.631 10.925 -6.534 1.00 0.00 H new ATOM 244 N LEU A 16 -2.456 8.192 -6.094 1.00 0.00 N ATOM 245 CA LEU A 16 -1.067 7.915 -6.438 1.00 0.00 C ATOM 246 C LEU A 16 -0.111 8.718 -5.572 1.00 0.00 C ATOM 247 O LEU A 16 -0.397 8.972 -4.413 1.00 0.00 O ATOM 248 CB LEU A 16 -0.785 8.120 -7.922 1.00 0.00 C ATOM 249 CG LEU A 16 0.008 6.974 -8.560 1.00 0.00 C ATOM 250 CD1 LEU A 16 1.291 6.705 -7.793 1.00 0.00 C ATOM 251 CD2 LEU A 16 -0.834 5.715 -8.606 1.00 0.00 C ATOM 0 H LEU A 16 -2.629 9.126 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.895 6.859 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.731 8.234 -8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.232 9.050 -8.053 1.00 0.00 H new ATOM 0 HG LEU A 16 0.268 7.271 -9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.834 5.887 -8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.911 7.602 -7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.050 6.433 -6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.259 4.909 -9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.118 5.430 -7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.731 5.899 -9.197 1.00 0.00 H new ATOM 263 N ASN A 17 1.041 9.091 -6.107 1.00 0.00 N ATOM 264 CA ASN A 17 2.010 9.817 -5.308 1.00 0.00 C ATOM 265 C ASN A 17 3.294 10.063 -6.070 1.00 0.00 C ATOM 266 O ASN A 17 3.995 11.042 -5.824 1.00 0.00 O ATOM 267 CB ASN A 17 2.354 8.980 -4.091 1.00 0.00 C ATOM 268 CG ASN A 17 2.979 7.657 -4.496 1.00 0.00 C ATOM 269 OD1 ASN A 17 4.201 7.499 -4.462 1.00 0.00 O ATOM 270 ND2 ASN A 17 2.149 6.700 -4.892 1.00 0.00 N ATOM 0 H ASN A 17 1.322 8.907 -7.070 1.00 0.00 H new ATOM 0 HA ASN A 17 1.571 10.777 -5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.043 9.530 -3.450 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.453 8.796 -3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.517 5.794 -5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.143 6.871 -4.906 1.00 0.00 H new ATOM 277 N ASP A 18 3.627 9.134 -6.951 1.00 0.00 N ATOM 278 CA ASP A 18 4.864 9.229 -7.706 1.00 0.00 C ATOM 279 C ASP A 18 6.015 9.473 -6.738 1.00 0.00 C ATOM 280 O ASP A 18 7.055 10.019 -7.107 1.00 0.00 O ATOM 281 CB ASP A 18 4.787 10.362 -8.732 1.00 0.00 C ATOM 282 CG ASP A 18 5.655 10.102 -9.947 1.00 0.00 C ATOM 283 OD1 ASP A 18 5.937 8.919 -10.233 1.00 0.00 O ATOM 284 OD2 ASP A 18 6.053 11.081 -10.613 1.00 0.00 O ATOM 0 H ASP A 18 3.062 8.311 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 18 5.028 8.297 -8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.752 10.491 -9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.095 11.296 -8.262 1.00 0.00 H new ATOM 289 N ALA A 19 5.800 9.070 -5.486 1.00 0.00 N ATOM 290 CA ALA A 19 6.791 9.244 -4.436 1.00 0.00 C ATOM 291 C ALA A 19 7.395 10.640 -4.491 1.00 0.00 C ATOM 292 O ALA A 19 8.613 10.806 -4.435 1.00 0.00 O ATOM 293 CB ALA A 19 7.869 8.179 -4.537 1.00 0.00 C ATOM 0 H ALA A 19 4.940 8.618 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 19 6.294 9.131 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.601 8.326 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.417 7.193 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.364 8.253 -5.505 1.00 0.00 H new ATOM 299 N SER A 20 6.528 11.643 -4.596 1.00 0.00 N ATOM 300 CA SER A 20 6.966 13.030 -4.654 1.00 0.00 C ATOM 301 C SER A 20 5.777 13.978 -4.740 1.00 0.00 C ATOM 302 O SER A 20 5.597 14.845 -3.886 1.00 0.00 O ATOM 303 CB SER A 20 7.906 13.237 -5.840 1.00 0.00 C ATOM 304 OG SER A 20 7.280 12.876 -7.058 1.00 0.00 O ATOM 0 H SER A 20 5.517 11.519 -4.643 1.00 0.00 H new ATOM 0 HA SER A 20 7.506 13.256 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.217 14.281 -5.883 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.808 12.641 -5.701 1.00 0.00 H new ATOM 0 HG SER A 20 7.191 11.901 -7.104 1.00 0.00 H new ATOM 310 N LEU A 21 4.969 13.805 -5.774 1.00 0.00 N ATOM 311 CA LEU A 21 3.788 14.639 -5.974 1.00 0.00 C ATOM 312 C LEU A 21 2.759 14.394 -4.871 1.00 0.00 C ATOM 313 O LEU A 21 1.842 15.191 -4.676 1.00 0.00 O ATOM 314 CB LEU A 21 3.162 14.352 -7.343 1.00 0.00 C ATOM 315 CG LEU A 21 2.995 12.868 -7.670 1.00 0.00 C ATOM 316 CD1 LEU A 21 1.804 12.290 -6.925 1.00 0.00 C ATOM 317 CD2 LEU A 21 2.832 12.653 -9.164 1.00 0.00 C ATOM 0 H LEU A 21 5.108 13.093 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 21 4.098 15.683 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.185 14.832 -7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.780 14.813 -8.114 1.00 0.00 H new ATOM 0 HG LEU A 21 3.898 12.350 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.700 11.233 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.958 12.401 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.899 12.821 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.715 11.589 -9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.950 13.189 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.714 13.027 -9.684 1.00 0.00 H new ATOM 329 N CYS A 22 2.918 13.280 -4.156 1.00 0.00 N ATOM 330 CA CYS A 22 2.004 12.918 -3.074 1.00 0.00 C ATOM 331 C CYS A 22 0.546 13.064 -3.513 1.00 0.00 C ATOM 332 O CYS A 22 0.033 14.178 -3.628 1.00 0.00 O ATOM 333 CB CYS A 22 2.265 13.780 -1.832 1.00 0.00 C ATOM 334 SG CYS A 22 3.597 15.013 -2.032 1.00 0.00 S ATOM 0 H CYS A 22 3.673 12.612 -4.308 1.00 0.00 H new ATOM 0 HA CYS A 22 2.186 11.873 -2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.344 14.299 -1.565 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.515 13.125 -0.997 1.00 0.00 H new ATOM 339 N ASP A 23 -0.119 11.935 -3.757 1.00 0.00 N ATOM 340 CA ASP A 23 -1.516 11.948 -4.184 1.00 0.00 C ATOM 341 C ASP A 23 -2.314 10.848 -3.489 1.00 0.00 C ATOM 342 O ASP A 23 -2.540 9.780 -4.055 1.00 0.00 O ATOM 343 CB ASP A 23 -1.609 11.779 -5.701 1.00 0.00 C ATOM 344 CG ASP A 23 -1.950 13.076 -6.407 1.00 0.00 C ATOM 345 OD1 ASP A 23 -1.943 14.133 -5.742 1.00 0.00 O ATOM 346 OD2 ASP A 23 -2.226 13.034 -7.625 1.00 0.00 O ATOM 0 H ASP A 23 0.286 11.003 -3.666 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.943 12.911 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.660 11.401 -6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.367 11.031 -5.935 1.00 0.00 H new ATOM 351 N ASN A 24 -2.739 11.117 -2.259 1.00 0.00 N ATOM 352 CA ASN A 24 -3.510 10.144 -1.490 1.00 0.00 C ATOM 353 C ASN A 24 -5.008 10.395 -1.632 1.00 0.00 C ATOM 354 O ASN A 24 -5.641 9.912 -2.570 1.00 0.00 O ATOM 355 CB ASN A 24 -3.110 10.185 -0.013 1.00 0.00 C ATOM 356 CG ASN A 24 -2.645 11.560 0.427 1.00 0.00 C ATOM 357 OD1 ASN A 24 -2.816 12.546 -0.289 1.00 0.00 O ATOM 358 ND2 ASN A 24 -2.049 11.631 1.612 1.00 0.00 N ATOM 0 H ASN A 24 -2.564 11.997 -1.774 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.288 9.154 -1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.959 9.880 0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.314 9.462 0.164 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.713 12.529 1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.928 10.788 2.173 1.00 0.00 H new ATOM 365 N VAL A 25 -5.573 11.147 -0.692 1.00 0.00 N ATOM 366 CA VAL A 25 -6.998 11.452 -0.714 1.00 0.00 C ATOM 367 C VAL A 25 -7.817 10.268 -0.212 1.00 0.00 C ATOM 368 O VAL A 25 -8.381 9.512 -1.005 1.00 0.00 O ATOM 369 CB VAL A 25 -7.471 11.826 -2.132 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.821 12.523 -2.078 1.00 0.00 C ATOM 371 CG2 VAL A 25 -6.439 12.704 -2.825 1.00 0.00 C ATOM 0 H VAL A 25 -5.066 11.555 0.093 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.151 12.305 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.583 10.909 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.139 12.780 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.556 11.858 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.738 13.432 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.790 12.958 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.293 13.618 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.494 12.166 -2.898 1.00 0.00 H new ATOM 381 N LEU A 26 -7.880 10.113 1.108 1.00 0.00 N ATOM 382 CA LEU A 26 -8.630 9.021 1.721 1.00 0.00 C ATOM 383 C LEU A 26 -7.771 7.767 1.850 1.00 0.00 C ATOM 384 O LEU A 26 -7.739 6.928 0.950 1.00 0.00 O ATOM 385 CB LEU A 26 -9.885 8.712 0.902 1.00 0.00 C ATOM 386 CG LEU A 26 -11.061 8.149 1.702 1.00 0.00 C ATOM 387 CD1 LEU A 26 -11.570 9.178 2.699 1.00 0.00 C ATOM 388 CD2 LEU A 26 -12.177 7.711 0.767 1.00 0.00 C ATOM 0 H LEU A 26 -7.419 10.732 1.775 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.925 9.338 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.209 9.626 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.623 7.999 0.120 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.715 7.277 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.406 8.760 3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.769 9.444 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.900 10.069 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.006 7.313 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.521 8.566 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.805 6.940 0.093 1.00 0.00 H new ATOM 400 N ALA A 27 -7.077 7.643 2.979 1.00 0.00 N ATOM 401 CA ALA A 27 -6.222 6.489 3.229 1.00 0.00 C ATOM 402 C ALA A 27 -5.713 6.488 4.667 1.00 0.00 C ATOM 403 O ALA A 27 -5.115 7.460 5.126 1.00 0.00 O ATOM 404 CB ALA A 27 -5.055 6.474 2.255 1.00 0.00 C ATOM 0 H ALA A 27 -7.091 8.328 3.734 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.816 5.588 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.426 5.607 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.434 6.421 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.468 7.384 2.377 1.00 0.00 H new ATOM 410 N PRO A 28 -5.948 5.387 5.396 1.00 0.00 N ATOM 411 CA PRO A 28 -5.518 5.248 6.789 1.00 0.00 C ATOM 412 C PRO A 28 -4.046 4.868 6.909 1.00 0.00 C ATOM 413 O PRO A 28 -3.399 4.543 5.915 1.00 0.00 O ATOM 414 CB PRO A 28 -6.400 4.110 7.296 1.00 0.00 C ATOM 415 CG PRO A 28 -6.603 3.250 6.097 1.00 0.00 C ATOM 416 CD PRO A 28 -6.658 4.186 4.917 1.00 0.00 C ATOM 0 HA PRO A 28 -5.615 6.179 7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.917 3.561 8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.348 4.482 7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.789 2.534 5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.525 2.675 6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.173 3.756 4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.685 4.414 4.633 1.00 0.00 H new ATOM 424 N ASN A 29 -3.526 4.898 8.132 1.00 0.00 N ATOM 425 CA ASN A 29 -2.133 4.543 8.374 1.00 0.00 C ATOM 426 C ASN A 29 -2.013 3.050 8.653 1.00 0.00 C ATOM 427 O ASN A 29 -2.262 2.593 9.769 1.00 0.00 O ATOM 428 CB ASN A 29 -1.569 5.343 9.550 1.00 0.00 C ATOM 429 CG ASN A 29 -2.258 6.683 9.724 1.00 0.00 C ATOM 430 OD1 ASN A 29 -1.993 7.608 8.809 1.00 0.00 O flip ATOM 431 ND2 ASN A 29 -3.020 6.883 10.669 1.00 0.00 N flip ATOM 0 H ASN A 29 -4.047 5.164 8.968 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.556 4.786 7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.676 4.761 10.466 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.502 5.504 9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.195 6.143 11.349 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.477 7.789 10.773 1.00 0.00 H new ATOM 438 N VAL A 30 -1.644 2.292 7.627 1.00 0.00 N ATOM 439 CA VAL A 30 -1.507 0.848 7.754 1.00 0.00 C ATOM 440 C VAL A 30 -0.243 0.346 7.071 1.00 0.00 C ATOM 441 O VAL A 30 0.521 1.124 6.508 1.00 0.00 O ATOM 442 CB VAL A 30 -2.723 0.122 7.137 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.010 0.847 7.487 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.577 0.000 5.625 1.00 0.00 C ATOM 0 H VAL A 30 -1.434 2.655 6.697 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.449 0.629 8.820 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.764 -0.883 7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.856 0.321 7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.128 0.876 8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.972 1.865 7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.446 -0.515 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.504 0.995 5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.676 -0.567 5.391 1.00 0.00 H new ATOM 454 N THR A 31 -0.048 -0.966 7.102 1.00 0.00 N ATOM 455 CA THR A 31 1.103 -1.576 6.458 1.00 0.00 C ATOM 456 C THR A 31 0.782 -1.828 4.992 1.00 0.00 C ATOM 457 O THR A 31 -0.235 -2.447 4.676 1.00 0.00 O ATOM 458 CB THR A 31 1.475 -2.887 7.152 1.00 0.00 C ATOM 459 OG1 THR A 31 0.444 -3.847 6.998 1.00 0.00 O ATOM 460 CG2 THR A 31 1.737 -2.727 8.634 1.00 0.00 C ATOM 0 H THR A 31 -0.672 -1.626 7.566 1.00 0.00 H new ATOM 0 HA THR A 31 1.955 -0.900 6.532 1.00 0.00 H new ATOM 0 HB THR A 31 2.396 -3.217 6.671 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.702 -4.679 7.447 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.995 -3.695 9.064 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.562 -2.031 8.785 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.842 -2.340 9.122 1.00 0.00 H new ATOM 468 N LYS A 32 1.636 -1.330 4.101 1.00 0.00 N ATOM 469 CA LYS A 32 1.427 -1.488 2.664 1.00 0.00 C ATOM 470 C LYS A 32 0.694 -2.789 2.356 1.00 0.00 C ATOM 471 O LYS A 32 -0.249 -2.810 1.569 1.00 0.00 O ATOM 472 CB LYS A 32 2.763 -1.437 1.919 1.00 0.00 C ATOM 473 CG LYS A 32 3.509 -2.759 1.898 1.00 0.00 C ATOM 474 CD LYS A 32 4.158 -3.053 3.240 1.00 0.00 C ATOM 475 CE LYS A 32 5.369 -2.164 3.479 1.00 0.00 C ATOM 476 NZ LYS A 32 5.917 -1.617 2.208 1.00 0.00 N ATOM 0 H LYS A 32 2.480 -0.813 4.349 1.00 0.00 H new ATOM 0 HA LYS A 32 0.805 -0.661 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.583 -1.117 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.397 -0.681 2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.819 -3.563 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.273 -2.735 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.431 -2.902 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.460 -4.100 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.091 -1.341 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.143 -2.735 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.840 -1.174 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.032 -2.388 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.262 -0.906 1.825 1.00 0.00 H new ATOM 490 N GLN A 33 1.116 -3.870 2.995 1.00 0.00 N ATOM 491 CA GLN A 33 0.481 -5.161 2.789 1.00 0.00 C ATOM 492 C GLN A 33 -1.034 -5.009 2.735 1.00 0.00 C ATOM 493 O GLN A 33 -1.673 -5.419 1.769 1.00 0.00 O ATOM 494 CB GLN A 33 0.870 -6.130 3.904 1.00 0.00 C ATOM 495 CG GLN A 33 2.351 -6.462 3.921 1.00 0.00 C ATOM 496 CD GLN A 33 2.615 -7.955 3.944 1.00 0.00 C ATOM 497 OE1 GLN A 33 2.045 -8.685 4.755 1.00 0.00 O ATOM 498 NE2 GLN A 33 3.483 -8.417 3.052 1.00 0.00 N ATOM 0 H GLN A 33 1.892 -3.878 3.657 1.00 0.00 H new ATOM 0 HA GLN A 33 0.826 -5.564 1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.590 -5.698 4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.299 -7.052 3.790 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.827 -6.026 3.043 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.812 -6.002 4.795 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.932 -7.776 2.398 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.700 -9.413 3.020 1.00 0.00 H new ATOM 507 N GLU A 34 -1.600 -4.413 3.779 1.00 0.00 N ATOM 508 CA GLU A 34 -3.041 -4.203 3.857 1.00 0.00 C ATOM 509 C GLU A 34 -3.516 -3.191 2.818 1.00 0.00 C ATOM 510 O GLU A 34 -4.316 -3.518 1.940 1.00 0.00 O ATOM 511 CB GLU A 34 -3.426 -3.725 5.258 1.00 0.00 C ATOM 512 CG GLU A 34 -2.742 -4.497 6.373 1.00 0.00 C ATOM 513 CD GLU A 34 -2.935 -5.996 6.247 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.979 -6.417 5.706 1.00 0.00 O ATOM 515 OE2 GLU A 34 -2.042 -6.749 6.691 1.00 0.00 O ATOM 0 H GLU A 34 -1.081 -4.066 4.585 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.528 -5.156 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.177 -2.668 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.506 -3.810 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.676 -4.270 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.133 -4.163 7.334 1.00 0.00 H new ATOM 522 N CYS A 35 -3.027 -1.959 2.928 1.00 0.00 N ATOM 523 CA CYS A 35 -3.411 -0.898 2.004 1.00 0.00 C ATOM 524 C CYS A 35 -3.430 -1.398 0.561 1.00 0.00 C ATOM 525 O CYS A 35 -4.460 -1.337 -0.112 1.00 0.00 O ATOM 526 CB CYS A 35 -2.458 0.293 2.142 1.00 0.00 C ATOM 527 SG CYS A 35 -2.420 1.397 0.690 1.00 0.00 S ATOM 0 H CYS A 35 -2.364 -1.671 3.648 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.421 -0.577 2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.746 0.874 3.018 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.451 -0.082 2.325 1.00 0.00 H new ATOM 532 N CYS A 36 -2.291 -1.893 0.090 1.00 0.00 N ATOM 533 CA CYS A 36 -2.186 -2.402 -1.275 1.00 0.00 C ATOM 534 C CYS A 36 -3.108 -3.599 -1.484 1.00 0.00 C ATOM 535 O CYS A 36 -3.681 -3.763 -2.560 1.00 0.00 O ATOM 536 CB CYS A 36 -0.740 -2.790 -1.596 1.00 0.00 C ATOM 537 SG CYS A 36 0.520 -1.738 -0.800 1.00 0.00 S ATOM 0 H CYS A 36 -1.428 -1.953 0.631 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.495 -1.607 -1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.578 -3.824 -1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.598 -2.751 -2.676 1.00 0.00 H new ATOM 542 N CYS A 37 -3.257 -4.435 -0.458 1.00 0.00 N ATOM 543 CA CYS A 37 -4.125 -5.603 -0.566 1.00 0.00 C ATOM 544 C CYS A 37 -5.487 -5.196 -1.111 1.00 0.00 C ATOM 545 O CYS A 37 -6.089 -5.918 -1.906 1.00 0.00 O ATOM 546 CB CYS A 37 -4.278 -6.305 0.785 1.00 0.00 C ATOM 547 SG CYS A 37 -5.213 -7.870 0.717 1.00 0.00 S ATOM 0 H CYS A 37 -2.795 -4.327 0.445 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.663 -6.307 -1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.287 -6.505 1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.776 -5.628 1.479 1.00 0.00 H new ATOM 552 N THR A 38 -5.958 -4.025 -0.695 1.00 0.00 N ATOM 553 CA THR A 38 -7.238 -3.511 -1.162 1.00 0.00 C ATOM 554 C THR A 38 -7.146 -3.172 -2.645 1.00 0.00 C ATOM 555 O THR A 38 -8.157 -3.088 -3.343 1.00 0.00 O ATOM 556 CB THR A 38 -7.640 -2.269 -0.365 1.00 0.00 C ATOM 557 OG1 THR A 38 -7.047 -2.285 0.921 1.00 0.00 O ATOM 558 CG2 THR A 38 -9.137 -2.133 -0.179 1.00 0.00 C ATOM 0 H THR A 38 -5.473 -3.416 -0.036 1.00 0.00 H new ATOM 0 HA THR A 38 -7.999 -4.277 -1.014 1.00 0.00 H new ATOM 0 HB THR A 38 -7.286 -1.422 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.166 -1.859 0.880 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.352 -1.231 0.394 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.620 -2.067 -1.154 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.518 -3.003 0.356 1.00 0.00 H new ATOM 566 N SER A 39 -5.912 -2.986 -3.111 1.00 0.00 N ATOM 567 CA SER A 39 -5.642 -2.663 -4.507 1.00 0.00 C ATOM 568 C SER A 39 -5.581 -1.157 -4.723 1.00 0.00 C ATOM 569 O SER A 39 -6.411 -0.583 -5.429 1.00 0.00 O ATOM 570 CB SER A 39 -6.693 -3.284 -5.421 1.00 0.00 C ATOM 571 OG SER A 39 -7.816 -2.433 -5.570 1.00 0.00 O ATOM 0 H SER A 39 -5.075 -3.055 -2.532 1.00 0.00 H new ATOM 0 HA SER A 39 -4.669 -3.083 -4.759 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.254 -3.485 -6.398 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.013 -4.242 -5.012 1.00 0.00 H new ATOM 0 HG SER A 39 -8.233 -2.285 -4.695 1.00 0.00 H new ATOM 577 N GLY A 40 -4.588 -0.524 -4.112 1.00 0.00 N ATOM 578 CA GLY A 40 -4.427 0.909 -4.251 1.00 0.00 C ATOM 579 C GLY A 40 -3.536 1.291 -5.421 1.00 0.00 C ATOM 580 O GLY A 40 -3.741 0.835 -6.546 1.00 0.00 O ATOM 0 H GLY A 40 -3.891 -0.978 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.407 1.369 -4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.004 1.313 -3.331 1.00 0.00 H new ATOM 584 N ALA A 41 -2.549 2.134 -5.146 1.00 0.00 N ATOM 585 CA ALA A 41 -1.609 2.599 -6.163 1.00 0.00 C ATOM 586 C ALA A 41 -0.265 2.944 -5.540 1.00 0.00 C ATOM 587 O ALA A 41 0.788 2.705 -6.130 1.00 0.00 O ATOM 588 CB ALA A 41 -2.175 3.800 -6.896 1.00 0.00 C ATOM 0 H ALA A 41 -2.376 2.515 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.456 1.792 -6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.463 4.135 -7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.112 3.523 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.357 4.607 -6.186 1.00 0.00 H new ATOM 594 N GLY A 42 -0.317 3.510 -4.339 1.00 0.00 N ATOM 595 CA GLY A 42 0.880 3.885 -3.624 1.00 0.00 C ATOM 596 C GLY A 42 0.669 3.801 -2.120 1.00 0.00 C ATOM 597 O GLY A 42 -0.462 3.915 -1.646 1.00 0.00 O ATOM 0 H GLY A 42 -1.185 3.717 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.702 3.231 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.168 4.900 -3.898 1.00 0.00 H new ATOM 601 N TRP A 43 1.745 3.593 -1.365 1.00 0.00 N ATOM 602 CA TRP A 43 1.649 3.502 0.094 1.00 0.00 C ATOM 603 C TRP A 43 2.921 4.020 0.762 1.00 0.00 C ATOM 604 O TRP A 43 4.013 3.506 0.521 1.00 0.00 O ATOM 605 CB TRP A 43 1.385 2.055 0.529 1.00 0.00 C ATOM 606 CG TRP A 43 1.513 1.845 2.009 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.500 1.824 2.931 1.00 0.00 C ATOM 608 CD2 TRP A 43 2.726 1.625 2.744 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.012 1.608 4.186 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.372 1.482 4.099 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.075 1.534 2.388 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.319 1.254 5.096 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.013 1.309 3.379 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.631 1.171 4.719 1.00 0.00 C ATOM 0 H TRP A 43 2.690 3.484 -1.734 1.00 0.00 H new ATOM 0 HA TRP A 43 0.813 4.126 0.410 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.382 1.766 0.214 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.084 1.395 0.014 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.547 1.958 2.704 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.466 1.551 5.046 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.379 1.638 1.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.027 1.147 6.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.058 1.239 3.115 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.387 0.996 5.470 1.00 0.00 H new ATOM 625 N GLY A 44 2.775 5.039 1.609 1.00 0.00 N ATOM 626 CA GLY A 44 3.923 5.601 2.301 1.00 0.00 C ATOM 627 C GLY A 44 3.577 6.806 3.149 1.00 0.00 C ATOM 628 O GLY A 44 2.452 6.938 3.633 1.00 0.00 O ATOM 0 H GLY A 44 1.883 5.484 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.368 4.834 2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.678 5.885 1.568 1.00 0.00 H new ATOM 632 N ASP A 45 4.559 7.680 3.340 1.00 0.00 N ATOM 633 CA ASP A 45 4.373 8.882 4.147 1.00 0.00 C ATOM 634 C ASP A 45 4.376 10.143 3.288 1.00 0.00 C ATOM 635 O ASP A 45 5.435 10.649 2.921 1.00 0.00 O ATOM 636 CB ASP A 45 5.469 8.977 5.209 1.00 0.00 C ATOM 637 CG ASP A 45 6.856 8.798 4.626 1.00 0.00 C ATOM 638 OD1 ASP A 45 7.119 7.728 4.036 1.00 0.00 O ATOM 639 OD2 ASP A 45 7.681 9.727 4.759 1.00 0.00 O ATOM 0 H ASP A 45 5.494 7.579 2.946 1.00 0.00 H new ATOM 0 HA ASP A 45 3.400 8.807 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.408 9.946 5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.298 8.218 5.972 1.00 0.00 H new ATOM 644 N ASN A 46 3.176 10.644 2.990 1.00 0.00 N ATOM 645 CA ASN A 46 2.993 11.858 2.189 1.00 0.00 C ATOM 646 C ASN A 46 4.205 12.173 1.313 1.00 0.00 C ATOM 647 O ASN A 46 5.228 12.656 1.799 1.00 0.00 O ATOM 648 CB ASN A 46 2.696 13.048 3.102 1.00 0.00 C ATOM 649 CG ASN A 46 2.603 14.354 2.337 1.00 0.00 C ATOM 650 OD1 ASN A 46 1.916 14.327 1.201 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 3.142 15.376 2.763 1.00 0.00 N flip ATOM 0 H ASN A 46 2.301 10.219 3.297 1.00 0.00 H new ATOM 0 HA ASN A 46 2.149 11.676 1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.759 12.872 3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.478 13.127 3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.660 15.351 3.641 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.070 16.247 2.238 1.00 0.00 H new ATOM 658 N CYS A 47 4.071 11.916 0.014 1.00 0.00 N ATOM 659 CA CYS A 47 5.141 12.184 -0.945 1.00 0.00 C ATOM 660 C CYS A 47 6.157 11.046 -0.977 1.00 0.00 C ATOM 661 O CYS A 47 6.593 10.626 -2.049 1.00 0.00 O ATOM 662 CB CYS A 47 5.827 13.510 -0.616 1.00 0.00 C ATOM 663 SG CYS A 47 4.664 14.880 -0.308 1.00 0.00 S ATOM 0 H CYS A 47 3.227 11.520 -0.401 1.00 0.00 H new ATOM 0 HA CYS A 47 4.695 12.256 -1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.457 13.375 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.486 13.783 -1.441 1.00 0.00 H new ATOM 668 N GLU A 48 6.515 10.533 0.195 1.00 0.00 N ATOM 669 CA GLU A 48 7.459 9.424 0.280 1.00 0.00 C ATOM 670 C GLU A 48 6.688 8.114 0.221 1.00 0.00 C ATOM 671 O GLU A 48 6.823 7.247 1.085 1.00 0.00 O ATOM 672 CB GLU A 48 8.275 9.506 1.571 1.00 0.00 C ATOM 673 CG GLU A 48 8.640 10.926 1.972 1.00 0.00 C ATOM 674 CD GLU A 48 9.905 11.415 1.296 1.00 0.00 C ATOM 675 OE1 GLU A 48 10.261 10.865 0.232 1.00 0.00 O ATOM 676 OE2 GLU A 48 10.540 12.349 1.829 1.00 0.00 O ATOM 0 H GLU A 48 6.168 10.865 1.095 1.00 0.00 H new ATOM 0 HA GLU A 48 8.155 9.477 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.708 9.044 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.189 8.925 1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.816 11.594 1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.769 10.973 3.053 1.00 0.00 H new ATOM 683 N ILE A 49 5.845 8.014 -0.796 1.00 0.00 N ATOM 684 CA ILE A 49 4.991 6.860 -1.002 1.00 0.00 C ATOM 685 C ILE A 49 5.650 5.790 -1.872 1.00 0.00 C ATOM 686 O ILE A 49 6.666 6.039 -2.522 1.00 0.00 O ATOM 687 CB ILE A 49 3.670 7.316 -1.638 1.00 0.00 C ATOM 688 CG1 ILE A 49 2.841 8.083 -0.618 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.886 6.138 -2.181 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.366 9.423 -1.125 1.00 0.00 C ATOM 0 H ILE A 49 5.736 8.739 -1.505 1.00 0.00 H new ATOM 0 HA ILE A 49 4.806 6.406 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 49 3.903 7.974 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.977 7.482 -0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.434 8.233 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.956 6.493 -2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.478 5.626 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.660 5.446 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.781 9.919 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.227 10.041 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.747 9.278 -2.010 1.00 0.00 H new ATOM 702 N PHE A 50 5.061 4.592 -1.871 1.00 0.00 N ATOM 703 CA PHE A 50 5.582 3.473 -2.651 1.00 0.00 C ATOM 704 C PHE A 50 4.495 2.902 -3.563 1.00 0.00 C ATOM 705 O PHE A 50 3.446 2.463 -3.095 1.00 0.00 O ATOM 706 CB PHE A 50 6.116 2.388 -1.710 1.00 0.00 C ATOM 707 CG PHE A 50 6.144 1.013 -2.314 1.00 0.00 C ATOM 708 CD1 PHE A 50 6.918 0.747 -3.433 1.00 0.00 C ATOM 709 CD2 PHE A 50 5.400 -0.016 -1.758 1.00 0.00 C ATOM 710 CE1 PHE A 50 6.948 -0.519 -3.986 1.00 0.00 C ATOM 711 CE2 PHE A 50 5.426 -1.283 -2.307 1.00 0.00 C ATOM 712 CZ PHE A 50 6.201 -1.535 -3.422 1.00 0.00 C ATOM 0 H PHE A 50 4.220 4.374 -1.336 1.00 0.00 H new ATOM 0 HA PHE A 50 6.399 3.831 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.125 2.657 -1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.500 2.366 -0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.504 1.538 -3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.793 0.175 -0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.555 -0.714 -4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.841 -2.076 -1.865 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.223 -2.525 -3.853 1.00 0.00 H new ATOM 722 N PRO A 51 4.736 2.918 -4.884 1.00 0.00 N ATOM 723 CA PRO A 51 3.777 2.420 -5.881 1.00 0.00 C ATOM 724 C PRO A 51 3.289 0.997 -5.609 1.00 0.00 C ATOM 725 O PRO A 51 3.994 0.024 -5.879 1.00 0.00 O ATOM 726 CB PRO A 51 4.574 2.462 -7.188 1.00 0.00 C ATOM 727 CG PRO A 51 5.604 3.514 -6.968 1.00 0.00 C ATOM 728 CD PRO A 51 5.962 3.442 -5.511 1.00 0.00 C ATOM 0 HA PRO A 51 2.868 3.021 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.033 1.497 -7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.933 2.706 -8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.479 3.341 -7.594 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.217 4.500 -7.227 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.814 2.785 -5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.229 4.421 -5.114 1.00 0.00 H new ATOM 736 N CYS A 52 2.068 0.888 -5.091 1.00 0.00 N ATOM 737 CA CYS A 52 1.465 -0.407 -4.800 1.00 0.00 C ATOM 738 C CYS A 52 -0.048 -0.352 -4.927 1.00 0.00 C ATOM 739 O CYS A 52 -0.693 0.642 -4.563 1.00 0.00 O ATOM 740 CB CYS A 52 1.827 -0.873 -3.398 1.00 0.00 C ATOM 741 SG CYS A 52 0.767 -0.187 -2.083 1.00 0.00 S ATOM 0 H CYS A 52 1.475 1.686 -4.864 1.00 0.00 H new ATOM 0 HA CYS A 52 1.859 -1.114 -5.530 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.771 -1.961 -3.363 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.862 -0.601 -3.193 1.00 0.00 H new ATOM 746 N PRO A 53 -0.643 -1.433 -5.435 1.00 0.00 N ATOM 747 CA PRO A 53 0.066 -2.627 -5.875 1.00 0.00 C ATOM 748 C PRO A 53 0.355 -2.604 -7.373 1.00 0.00 C ATOM 749 O PRO A 53 0.312 -1.551 -8.008 1.00 0.00 O ATOM 750 CB PRO A 53 -0.937 -3.729 -5.547 1.00 0.00 C ATOM 751 CG PRO A 53 -2.288 -3.075 -5.584 1.00 0.00 C ATOM 752 CD PRO A 53 -2.072 -1.579 -5.635 1.00 0.00 C ATOM 0 HA PRO A 53 1.041 -2.742 -5.401 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.876 -4.542 -6.271 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.738 -4.160 -4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.852 -3.410 -6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.870 -3.348 -4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.388 -1.161 -6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.640 -1.065 -4.859 1.00 0.00 H new ATOM 760 N VAL A 54 0.642 -3.775 -7.930 1.00 0.00 N ATOM 761 CA VAL A 54 0.930 -3.895 -9.352 1.00 0.00 C ATOM 762 C VAL A 54 -0.142 -4.725 -10.055 1.00 0.00 C ATOM 763 O VAL A 54 -0.208 -4.763 -11.283 1.00 0.00 O ATOM 764 CB VAL A 54 2.311 -4.530 -9.594 1.00 0.00 C ATOM 765 CG1 VAL A 54 2.694 -4.445 -11.063 1.00 0.00 C ATOM 766 CG2 VAL A 54 3.363 -3.859 -8.724 1.00 0.00 C ATOM 0 H VAL A 54 0.681 -4.655 -7.416 1.00 0.00 H new ATOM 0 HA VAL A 54 0.933 -2.887 -9.767 1.00 0.00 H new ATOM 0 HB VAL A 54 2.257 -5.584 -9.320 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.674 -4.900 -11.211 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.954 -4.974 -11.663 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.729 -3.400 -11.370 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.334 -4.319 -8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.413 -2.798 -8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.097 -3.979 -7.674 1.00 0.00 H new ATOM 776 N LEU A 55 -0.985 -5.384 -9.262 1.00 0.00 N ATOM 777 CA LEU A 55 -2.063 -6.209 -9.798 1.00 0.00 C ATOM 778 C LEU A 55 -1.516 -7.415 -10.553 1.00 0.00 C ATOM 779 O LEU A 55 -0.754 -7.271 -11.509 1.00 0.00 O ATOM 780 CB LEU A 55 -2.956 -5.379 -10.720 1.00 0.00 C ATOM 781 CG LEU A 55 -4.396 -5.198 -10.236 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.417 -4.720 -8.793 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.141 -4.223 -11.135 1.00 0.00 C ATOM 0 H LEU A 55 -0.941 -5.362 -8.243 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.653 -6.574 -8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.505 -4.395 -10.848 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.976 -5.850 -11.703 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.901 -6.163 -10.284 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.449 -4.597 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.921 -5.455 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.896 -3.765 -8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.164 -4.106 -10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.638 -3.256 -11.119 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.156 -4.607 -12.155 1.00 0.00 H new ATOM 795 N GLY A 56 -1.918 -8.605 -10.121 1.00 0.00 N ATOM 796 CA GLY A 56 -1.462 -9.822 -10.768 1.00 0.00 C ATOM 797 C GLY A 56 0.001 -9.759 -11.155 1.00 0.00 C ATOM 798 O GLY A 56 0.408 -10.327 -12.168 1.00 0.00 O ATOM 0 H GLY A 56 -2.551 -8.749 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.622 -10.667 -10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.063 -10.003 -11.659 1.00 0.00 H new ATOM 802 N THR A 57 0.793 -9.064 -10.346 1.00 0.00 N ATOM 803 CA THR A 57 2.221 -8.925 -10.605 1.00 0.00 C ATOM 804 C THR A 57 3.040 -9.415 -9.417 1.00 0.00 C ATOM 805 O THR A 57 2.553 -10.183 -8.588 1.00 0.00 O ATOM 806 CB THR A 57 2.567 -7.467 -10.910 1.00 0.00 C ATOM 807 OG1 THR A 57 1.402 -6.661 -10.886 1.00 0.00 O ATOM 808 CG2 THR A 57 3.228 -7.278 -12.258 1.00 0.00 C ATOM 0 H THR A 57 0.469 -8.588 -9.504 1.00 0.00 H new ATOM 0 HA THR A 57 2.468 -9.539 -11.472 1.00 0.00 H new ATOM 0 HB THR A 57 3.271 -7.168 -10.134 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.743 -7.019 -11.517 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.447 -6.221 -12.411 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.156 -7.849 -12.292 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.558 -7.627 -13.044 1.00 0.00 H new ATOM 816 N ALA A 58 4.286 -8.968 -9.347 1.00 0.00 N ATOM 817 CA ALA A 58 5.184 -9.357 -8.267 1.00 0.00 C ATOM 818 C ALA A 58 4.791 -8.699 -6.949 1.00 0.00 C ATOM 819 O ALA A 58 4.457 -9.377 -5.980 1.00 0.00 O ATOM 820 CB ALA A 58 6.616 -8.995 -8.626 1.00 0.00 C ATOM 0 H ALA A 58 4.700 -8.332 -10.029 1.00 0.00 H new ATOM 0 HA ALA A 58 5.105 -10.436 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.280 -9.289 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.905 -9.517 -9.538 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.691 -7.919 -8.784 1.00 0.00 H new ATOM 826 N GLU A 59 4.842 -7.372 -6.916 1.00 0.00 N ATOM 827 CA GLU A 59 4.498 -6.624 -5.712 1.00 0.00 C ATOM 828 C GLU A 59 3.226 -7.168 -5.071 1.00 0.00 C ATOM 829 O GLU A 59 3.283 -7.932 -4.108 1.00 0.00 O ATOM 830 CB GLU A 59 4.330 -5.140 -6.037 1.00 0.00 C ATOM 831 CG GLU A 59 5.213 -4.233 -5.201 1.00 0.00 C ATOM 832 CD GLU A 59 6.056 -3.299 -6.048 1.00 0.00 C ATOM 833 OE1 GLU A 59 5.573 -2.194 -6.373 1.00 0.00 O ATOM 834 OE2 GLU A 59 7.199 -3.674 -6.386 1.00 0.00 O ATOM 0 H GLU A 59 5.118 -6.792 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 59 5.315 -6.741 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.554 -4.980 -7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.288 -4.859 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.589 -3.644 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.867 -4.843 -4.578 1.00 0.00 H new ATOM 841 N PHE A 60 2.078 -6.760 -5.603 1.00 0.00 N ATOM 842 CA PHE A 60 0.794 -7.195 -5.079 1.00 0.00 C ATOM 843 C PHE A 60 0.845 -8.618 -4.525 1.00 0.00 C ATOM 844 O PHE A 60 0.887 -8.815 -3.314 1.00 0.00 O ATOM 845 CB PHE A 60 -0.277 -7.097 -6.159 1.00 0.00 C ATOM 846 CG PHE A 60 -1.663 -7.194 -5.602 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.013 -6.465 -4.478 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.609 -8.015 -6.190 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.283 -6.551 -3.951 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.885 -8.105 -5.666 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.220 -7.371 -4.544 1.00 0.00 C ATOM 0 H PHE A 60 2.014 -6.126 -6.400 1.00 0.00 H new ATOM 0 HA PHE A 60 0.543 -6.531 -4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.168 -6.151 -6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.126 -7.892 -6.889 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.283 -5.822 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.348 -8.590 -7.066 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.545 -5.977 -3.074 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.618 -8.747 -6.132 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.216 -7.440 -4.131 1.00 0.00 H new ATOM 861 N THR A 61 0.824 -9.606 -5.410 1.00 0.00 N ATOM 862 CA THR A 61 0.849 -11.006 -4.993 1.00 0.00 C ATOM 863 C THR A 61 1.751 -11.215 -3.777 1.00 0.00 C ATOM 864 O THR A 61 1.529 -12.130 -2.984 1.00 0.00 O ATOM 865 CB THR A 61 1.312 -11.896 -6.146 1.00 0.00 C ATOM 866 OG1 THR A 61 1.027 -13.257 -5.874 1.00 0.00 O ATOM 867 CG2 THR A 61 2.792 -11.785 -6.432 1.00 0.00 C ATOM 0 H THR A 61 0.790 -9.467 -6.420 1.00 0.00 H new ATOM 0 HA THR A 61 -0.166 -11.283 -4.710 1.00 0.00 H new ATOM 0 HB THR A 61 0.764 -11.544 -7.020 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.329 -13.811 -6.624 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.053 -12.443 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.036 -10.756 -6.695 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.357 -12.077 -5.546 1.00 0.00 H new ATOM 875 N GLU A 62 2.772 -10.375 -3.637 1.00 0.00 N ATOM 876 CA GLU A 62 3.704 -10.486 -2.519 1.00 0.00 C ATOM 877 C GLU A 62 3.182 -9.774 -1.272 1.00 0.00 C ATOM 878 O GLU A 62 3.469 -10.188 -0.149 1.00 0.00 O ATOM 879 CB GLU A 62 5.066 -9.908 -2.908 1.00 0.00 C ATOM 880 CG GLU A 62 5.705 -10.600 -4.100 1.00 0.00 C ATOM 881 CD GLU A 62 6.781 -11.588 -3.696 1.00 0.00 C ATOM 882 OE1 GLU A 62 6.428 -12.711 -3.280 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.975 -11.239 -3.796 1.00 0.00 O ATOM 0 H GLU A 62 2.975 -9.611 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 62 3.807 -11.545 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.950 -8.848 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.739 -9.980 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.934 -11.121 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.137 -9.849 -4.762 1.00 0.00 H new ATOM 890 N MET A 63 2.432 -8.695 -1.470 1.00 0.00 N ATOM 891 CA MET A 63 1.895 -7.927 -0.352 1.00 0.00 C ATOM 892 C MET A 63 0.524 -8.433 0.087 1.00 0.00 C ATOM 893 O MET A 63 0.206 -8.426 1.276 1.00 0.00 O ATOM 894 CB MET A 63 1.821 -6.442 -0.716 1.00 0.00 C ATOM 895 CG MET A 63 0.760 -6.094 -1.749 1.00 0.00 C ATOM 896 SD MET A 63 1.240 -4.682 -2.765 1.00 0.00 S ATOM 897 CE MET A 63 2.444 -3.892 -1.696 1.00 0.00 C ATOM 0 H MET A 63 2.183 -8.333 -2.391 1.00 0.00 H new ATOM 0 HA MET A 63 2.575 -8.059 0.490 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.628 -5.869 0.191 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.794 -6.125 -1.093 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.582 -6.957 -2.390 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.180 -5.873 -1.243 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.623 -2.873 -2.040 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.064 -3.869 -0.675 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.378 -4.453 -1.723 1.00 0.00 H new ATOM 907 N CYS A 64 -0.288 -8.866 -0.870 1.00 0.00 N ATOM 908 CA CYS A 64 -1.623 -9.366 -0.565 1.00 0.00 C ATOM 909 C CYS A 64 -1.906 -10.664 -1.316 1.00 0.00 C ATOM 910 O CYS A 64 -2.594 -10.667 -2.337 1.00 0.00 O ATOM 911 CB CYS A 64 -2.669 -8.313 -0.925 1.00 0.00 C ATOM 912 SG CYS A 64 -4.394 -8.899 -0.836 1.00 0.00 S ATOM 0 H CYS A 64 -0.046 -8.881 -1.861 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.675 -9.573 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.553 -7.461 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.472 -7.954 -1.935 1.00 0.00 H new ATOM 917 N PRO A 65 -1.374 -11.785 -0.810 1.00 0.00 N ATOM 918 CA PRO A 65 -1.565 -13.100 -1.427 1.00 0.00 C ATOM 919 C PRO A 65 -2.990 -13.616 -1.263 1.00 0.00 C ATOM 920 O PRO A 65 -3.407 -14.549 -1.950 1.00 0.00 O ATOM 921 CB PRO A 65 -0.581 -13.994 -0.668 1.00 0.00 C ATOM 922 CG PRO A 65 -0.412 -13.332 0.656 1.00 0.00 C ATOM 923 CD PRO A 65 -0.544 -11.854 0.404 1.00 0.00 C ATOM 0 HA PRO A 65 -1.395 -13.074 -2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.970 -15.006 -0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.370 -14.073 -1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.167 -13.676 1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.560 -13.568 1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.017 -11.344 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.428 -11.384 0.253 1.00 0.00 H new ATOM 931 N LYS A 66 -3.734 -13.001 -0.350 1.00 0.00 N ATOM 932 CA LYS A 66 -5.114 -13.396 -0.097 1.00 0.00 C ATOM 933 C LYS A 66 -6.026 -12.942 -1.230 1.00 0.00 C ATOM 934 O LYS A 66 -7.068 -13.547 -1.485 1.00 0.00 O ATOM 935 CB LYS A 66 -5.599 -12.810 1.230 1.00 0.00 C ATOM 936 CG LYS A 66 -6.043 -13.860 2.235 1.00 0.00 C ATOM 937 CD LYS A 66 -5.829 -13.386 3.663 1.00 0.00 C ATOM 938 CE LYS A 66 -6.256 -14.443 4.671 1.00 0.00 C ATOM 939 NZ LYS A 66 -6.136 -13.953 6.072 1.00 0.00 N ATOM 0 H LYS A 66 -3.404 -12.227 0.227 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.150 -14.484 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.798 -12.215 1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.430 -12.132 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.097 -14.091 2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.487 -14.783 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.777 -13.143 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.395 -12.470 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.288 -14.736 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.642 -15.335 4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.436 -14.702 6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.147 -13.698 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.741 -13.117 6.200 1.00 0.00 H new ATOM 953 N GLY A 67 -5.627 -11.870 -1.908 1.00 0.00 N ATOM 954 CA GLY A 67 -6.417 -11.350 -3.008 1.00 0.00 C ATOM 955 C GLY A 67 -6.974 -9.969 -2.717 1.00 0.00 C ATOM 956 O GLY A 67 -6.993 -9.532 -1.566 1.00 0.00 O ATOM 0 H GLY A 67 -4.770 -11.352 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.801 -11.309 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.240 -12.034 -3.216 1.00 0.00 H new ATOM 960 N LYS A 68 -7.430 -9.284 -3.760 1.00 0.00 N ATOM 961 CA LYS A 68 -7.989 -7.945 -3.608 1.00 0.00 C ATOM 962 C LYS A 68 -9.277 -7.983 -2.793 1.00 0.00 C ATOM 963 O LYS A 68 -10.152 -8.814 -3.036 1.00 0.00 O ATOM 964 CB LYS A 68 -8.259 -7.322 -4.980 1.00 0.00 C ATOM 965 CG LYS A 68 -9.218 -6.143 -4.933 1.00 0.00 C ATOM 966 CD LYS A 68 -9.606 -5.685 -6.330 1.00 0.00 C ATOM 967 CE LYS A 68 -10.900 -4.887 -6.314 1.00 0.00 C ATOM 968 NZ LYS A 68 -10.787 -3.660 -5.476 1.00 0.00 N ATOM 0 H LYS A 68 -7.424 -9.633 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.260 -7.333 -3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.314 -6.994 -5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.666 -8.085 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.114 -6.423 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.755 -5.317 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.806 -5.075 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.720 -6.552 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.166 -4.607 -7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.708 -5.513 -5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.451 -2.940 -5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.014 -3.892 -4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.816 -3.291 -5.530 1.00 0.00 H new ATOM 982 N GLY A 69 -9.387 -7.078 -1.828 1.00 0.00 N ATOM 983 CA GLY A 69 -10.573 -7.026 -0.994 1.00 0.00 C ATOM 984 C GLY A 69 -10.332 -7.579 0.396 1.00 0.00 C ATOM 985 O GLY A 69 -10.833 -8.649 0.743 1.00 0.00 O ATOM 0 H GLY A 69 -8.677 -6.380 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.913 -5.993 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.374 -7.590 -1.472 1.00 0.00 H new ATOM 989 N PHE A 70 -9.563 -6.847 1.191 1.00 0.00 N ATOM 990 CA PHE A 70 -9.254 -7.263 2.554 1.00 0.00 C ATOM 991 C PHE A 70 -9.593 -6.159 3.546 1.00 0.00 C ATOM 992 O PHE A 70 -10.468 -6.317 4.397 1.00 0.00 O ATOM 993 CB PHE A 70 -7.775 -7.638 2.674 1.00 0.00 C ATOM 994 CG PHE A 70 -7.387 -8.123 4.040 1.00 0.00 C ATOM 995 CD1 PHE A 70 -8.354 -8.369 5.004 1.00 0.00 C ATOM 996 CD2 PHE A 70 -6.057 -8.335 4.363 1.00 0.00 C ATOM 997 CE1 PHE A 70 -8.000 -8.818 6.261 1.00 0.00 C ATOM 998 CE2 PHE A 70 -5.697 -8.783 5.620 1.00 0.00 C ATOM 999 CZ PHE A 70 -6.669 -9.025 6.570 1.00 0.00 C ATOM 0 H PHE A 70 -9.141 -5.960 0.915 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.861 -8.137 2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.545 -8.414 1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.167 -6.770 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -9.396 -8.207 4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.292 -8.148 3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.763 -9.007 7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.656 -8.944 5.859 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.390 -9.375 7.553 1.00 0.00 H new ATOM 1009 N VAL A 71 -8.893 -5.040 3.427 1.00 0.00 N ATOM 1010 CA VAL A 71 -9.112 -3.899 4.305 1.00 0.00 C ATOM 1011 C VAL A 71 -10.508 -3.311 4.095 1.00 0.00 C ATOM 1012 O VAL A 71 -11.298 -3.836 3.310 1.00 0.00 O ATOM 1013 CB VAL A 71 -8.032 -2.816 4.076 1.00 0.00 C ATOM 1014 CG1 VAL A 71 -6.711 -3.460 3.685 1.00 0.00 C ATOM 1015 CG2 VAL A 71 -8.467 -1.808 3.020 1.00 0.00 C ATOM 0 H VAL A 71 -8.165 -4.897 2.727 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.038 -4.248 5.335 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.897 -2.276 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.961 -2.685 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.382 -4.127 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.842 -4.030 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.684 -1.062 2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.644 -2.323 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.385 -1.316 3.342 1.00 0.00 H new ATOM 1025 N PRO A 72 -10.833 -2.213 4.797 1.00 0.00 N ATOM 1026 CA PRO A 72 -12.133 -1.561 4.685 1.00 0.00 C ATOM 1027 C PRO A 72 -12.183 -0.551 3.544 1.00 0.00 C ATOM 1028 O PRO A 72 -11.907 0.633 3.737 1.00 0.00 O ATOM 1029 CB PRO A 72 -12.268 -0.859 6.032 1.00 0.00 C ATOM 1030 CG PRO A 72 -10.869 -0.509 6.421 1.00 0.00 C ATOM 1031 CD PRO A 72 -9.958 -1.518 5.757 1.00 0.00 C ATOM 0 HA PRO A 72 -12.935 -2.265 4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.891 0.032 5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.734 -1.510 6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.622 0.503 6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.752 -0.538 7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.122 -1.031 5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.533 -2.211 6.484 1.00 0.00 H new ATOM 1039 N ALA A 73 -12.536 -1.027 2.354 1.00 0.00 N ATOM 1040 CA ALA A 73 -12.623 -0.167 1.181 1.00 0.00 C ATOM 1041 C ALA A 73 -12.695 -0.991 -0.098 1.00 0.00 C ATOM 1042 O ALA A 73 -13.253 -0.549 -1.102 1.00 0.00 O ATOM 1043 CB ALA A 73 -11.433 0.782 1.134 1.00 0.00 C ATOM 0 H ALA A 73 -12.766 -2.005 2.177 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.539 0.419 1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.510 1.419 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.426 1.402 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.509 0.205 1.085 1.00 0.00 H new ATOM 1049 N GLY A 74 -12.130 -2.193 -0.054 1.00 0.00 N ATOM 1050 CA GLY A 74 -12.143 -3.062 -1.216 1.00 0.00 C ATOM 1051 C GLY A 74 -12.838 -4.381 -0.944 1.00 0.00 C ATOM 1052 O GLY A 74 -13.208 -5.099 -1.873 1.00 0.00 O ATOM 0 H GLY A 74 -11.663 -2.581 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.643 -2.554 -2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.118 -3.253 -1.535 1.00 0.00 H new ATOM 1056 N GLU A 75 -13.016 -4.702 0.333 1.00 0.00 N ATOM 1057 CA GLU A 75 -13.671 -5.943 0.727 1.00 0.00 C ATOM 1058 C GLU A 75 -14.886 -6.220 -0.153 1.00 0.00 C ATOM 1059 O GLU A 75 -15.560 -5.248 -0.552 1.00 0.00 O ATOM 1060 CB GLU A 75 -14.094 -5.878 2.195 1.00 0.00 C ATOM 1061 CG GLU A 75 -13.348 -6.858 3.086 1.00 0.00 C ATOM 1062 CD GLU A 75 -14.265 -7.888 3.715 1.00 0.00 C ATOM 1063 OE1 GLU A 75 -14.846 -7.594 4.781 1.00 0.00 O ATOM 1064 OE2 GLU A 75 -14.403 -8.989 3.141 1.00 0.00 O ATOM 1065 OXT GLU A 75 -15.153 -7.408 -0.436 1.00 0.00 O ATOM 0 H GLU A 75 -12.715 -4.119 1.114 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.958 -6.757 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.933 -4.866 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.163 -6.077 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.584 -7.368 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.832 -6.308 3.873 1.00 0.00 H new TER 1072 GLU A 75