USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 281 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 NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 52:sc= 0.848 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 26 HIS :FLIP no HD1:sc= -1.8 F(o=-2.3!,f=-1.8) USER MOD Single : A 35 THR OG1 : rot -51:sc= 0.986 USER MOD Single : A 37 SER OG : rot -54:sc= 0.436 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.119 -7.851 -21.734 1.00 0.00 N ATOM 2 CA GLY A 1 -0.245 -6.869 -21.120 1.00 0.00 C ATOM 3 C GLY A 1 1.093 -7.456 -20.716 1.00 0.00 C ATOM 4 O GLY A 1 1.295 -7.816 -19.556 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.020 -7.401 -21.992 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.666 -8.233 -22.589 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.298 -8.624 -21.062 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.082 -6.046 -21.816 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.735 -6.450 -20.241 1.00 0.00 H new ATOM 8 N SER A 2 2.009 -7.554 -21.674 1.00 0.00 N ATOM 9 CA SER A 2 3.332 -8.106 -21.412 1.00 0.00 C ATOM 10 C SER A 2 4.373 -6.996 -21.303 1.00 0.00 C ATOM 11 O SER A 2 5.097 -6.713 -22.257 1.00 0.00 O ATOM 12 CB SER A 2 3.728 -9.084 -22.521 1.00 0.00 C ATOM 13 OG SER A 2 2.935 -10.258 -22.472 1.00 0.00 O ATOM 0 H SER A 2 1.859 -7.258 -22.639 1.00 0.00 H new ATOM 0 HA SER A 2 3.294 -8.639 -20.462 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.612 -8.603 -23.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.781 -9.348 -22.419 1.00 0.00 H new ATOM 0 HG SER A 2 3.206 -10.866 -23.191 1.00 0.00 H new ATOM 19 N SER A 3 4.441 -6.370 -20.132 1.00 0.00 N ATOM 20 CA SER A 3 5.390 -5.288 -19.898 1.00 0.00 C ATOM 21 C SER A 3 5.346 -4.834 -18.442 1.00 0.00 C ATOM 22 O SER A 3 4.274 -4.703 -17.852 1.00 0.00 O ATOM 23 CB SER A 3 5.087 -4.107 -20.822 1.00 0.00 C ATOM 24 OG SER A 3 5.944 -3.013 -20.548 1.00 0.00 O ATOM 0 H SER A 3 3.850 -6.594 -19.331 1.00 0.00 H new ATOM 0 HA SER A 3 6.391 -5.661 -20.114 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.205 -4.414 -21.861 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.049 -3.800 -20.697 1.00 0.00 H new ATOM 0 HG SER A 3 5.732 -2.272 -21.153 1.00 0.00 H new ATOM 30 N GLY A 4 6.521 -4.593 -17.868 1.00 0.00 N ATOM 31 CA GLY A 4 6.597 -4.156 -16.487 1.00 0.00 C ATOM 32 C GLY A 4 5.838 -2.866 -16.244 1.00 0.00 C ATOM 33 O GLY A 4 6.058 -1.871 -16.934 1.00 0.00 O ATOM 0 H GLY A 4 7.422 -4.693 -18.336 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.197 -4.937 -15.840 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.642 -4.017 -16.210 1.00 0.00 H new ATOM 37 N SER A 5 4.942 -2.883 -15.263 1.00 0.00 N ATOM 38 CA SER A 5 4.145 -1.708 -14.935 1.00 0.00 C ATOM 39 C SER A 5 4.758 -0.944 -13.765 1.00 0.00 C ATOM 40 O SER A 5 4.334 -1.095 -12.620 1.00 0.00 O ATOM 41 CB SER A 5 2.710 -2.117 -14.595 1.00 0.00 C ATOM 42 OG SER A 5 2.679 -2.980 -13.472 1.00 0.00 O ATOM 0 H SER A 5 4.750 -3.698 -14.681 1.00 0.00 H new ATOM 0 HA SER A 5 4.132 -1.054 -15.807 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.114 -1.228 -14.391 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.257 -2.615 -15.453 1.00 0.00 H new ATOM 0 HG SER A 5 3.179 -2.574 -12.734 1.00 0.00 H new ATOM 48 N SER A 6 5.760 -0.123 -14.064 1.00 0.00 N ATOM 49 CA SER A 6 6.436 0.663 -13.037 1.00 0.00 C ATOM 50 C SER A 6 5.480 1.672 -12.408 1.00 0.00 C ATOM 51 O SER A 6 4.466 2.037 -13.002 1.00 0.00 O ATOM 52 CB SER A 6 7.643 1.390 -13.634 1.00 0.00 C ATOM 53 OG SER A 6 7.237 2.345 -14.599 1.00 0.00 O ATOM 0 H SER A 6 6.122 0.015 -15.008 1.00 0.00 H new ATOM 0 HA SER A 6 6.780 -0.019 -12.259 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.202 1.885 -12.840 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.316 0.667 -14.094 1.00 0.00 H new ATOM 0 HG SER A 6 8.026 2.797 -14.964 1.00 0.00 H new ATOM 59 N GLY A 7 5.812 2.118 -11.200 1.00 0.00 N ATOM 60 CA GLY A 7 4.973 3.080 -10.509 1.00 0.00 C ATOM 61 C GLY A 7 5.769 4.235 -9.934 1.00 0.00 C ATOM 62 O GLY A 7 5.746 4.474 -8.727 1.00 0.00 O ATOM 0 H GLY A 7 6.646 1.831 -10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.224 3.467 -11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.435 2.577 -9.705 1.00 0.00 H new ATOM 66 N GLY A 8 6.477 4.954 -10.800 1.00 0.00 N ATOM 67 CA GLY A 8 7.275 6.080 -10.352 1.00 0.00 C ATOM 68 C GLY A 8 7.952 5.818 -9.021 1.00 0.00 C ATOM 69 O GLY A 8 8.679 4.837 -8.870 1.00 0.00 O ATOM 0 H GLY A 8 6.512 4.777 -11.804 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.032 6.306 -11.103 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.639 6.961 -10.265 1.00 0.00 H new ATOM 73 N GLU A 9 7.714 6.699 -8.054 1.00 0.00 N ATOM 74 CA GLU A 9 8.308 6.558 -6.730 1.00 0.00 C ATOM 75 C GLU A 9 7.238 6.273 -5.681 1.00 0.00 C ATOM 76 O GLU A 9 6.388 7.118 -5.399 1.00 0.00 O ATOM 77 CB GLU A 9 9.080 7.825 -6.357 1.00 0.00 C ATOM 78 CG GLU A 9 8.217 9.075 -6.317 1.00 0.00 C ATOM 79 CD GLU A 9 9.013 10.342 -6.561 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.891 10.660 -5.732 1.00 0.00 O ATOM 81 OE2 GLU A 9 8.758 11.016 -7.581 1.00 0.00 O ATOM 0 H GLU A 9 7.115 7.517 -8.163 1.00 0.00 H new ATOM 0 HA GLU A 9 8.998 5.715 -6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.544 7.683 -5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.886 7.973 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.431 8.994 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.725 9.141 -5.347 1.00 0.00 H new ATOM 88 N LYS A 10 7.286 5.077 -5.105 1.00 0.00 N ATOM 89 CA LYS A 10 6.322 4.678 -4.086 1.00 0.00 C ATOM 90 C LYS A 10 6.880 3.554 -3.219 1.00 0.00 C ATOM 91 O LYS A 10 6.955 2.397 -3.633 1.00 0.00 O ATOM 92 CB LYS A 10 5.013 4.230 -4.740 1.00 0.00 C ATOM 93 CG LYS A 10 4.417 5.265 -5.679 1.00 0.00 C ATOM 94 CD LYS A 10 3.015 4.876 -6.118 1.00 0.00 C ATOM 95 CE LYS A 10 2.182 6.100 -6.469 1.00 0.00 C ATOM 96 NZ LYS A 10 2.456 6.580 -7.851 1.00 0.00 N ATOM 0 H LYS A 10 7.983 4.366 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 10 6.126 5.541 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.190 3.308 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.287 3.999 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.388 6.235 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.057 5.374 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.073 4.214 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.525 4.317 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.123 5.859 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.394 6.899 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.869 7.415 -8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.461 6.834 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.230 5.827 -8.531 1.00 0.00 H new ATOM 110 N PRO A 11 7.281 3.900 -1.987 1.00 0.00 N ATOM 111 CA PRO A 11 7.837 2.933 -1.035 1.00 0.00 C ATOM 112 C PRO A 11 6.788 1.952 -0.525 1.00 0.00 C ATOM 113 O PRO A 11 7.065 0.764 -0.356 1.00 0.00 O ATOM 114 CB PRO A 11 8.346 3.814 0.109 1.00 0.00 C ATOM 115 CG PRO A 11 7.517 5.050 0.033 1.00 0.00 C ATOM 116 CD PRO A 11 7.221 5.260 -1.426 1.00 0.00 C ATOM 0 HA PRO A 11 8.609 2.312 -1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.230 3.318 1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.406 4.040 -0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.596 4.938 0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.051 5.904 0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.241 5.713 -1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.952 5.920 -1.893 1.00 0.00 H new ATOM 124 N TYR A 12 5.582 2.455 -0.283 1.00 0.00 N ATOM 125 CA TYR A 12 4.492 1.622 0.209 1.00 0.00 C ATOM 126 C TYR A 12 3.790 0.906 -0.941 1.00 0.00 C ATOM 127 O TYR A 12 3.429 1.523 -1.944 1.00 0.00 O ATOM 128 CB TYR A 12 3.484 2.471 0.986 1.00 0.00 C ATOM 129 CG TYR A 12 4.116 3.333 2.056 1.00 0.00 C ATOM 130 CD1 TYR A 12 4.331 2.839 3.337 1.00 0.00 C ATOM 131 CD2 TYR A 12 4.498 4.641 1.786 1.00 0.00 C ATOM 132 CE1 TYR A 12 4.908 3.622 4.317 1.00 0.00 C ATOM 133 CE2 TYR A 12 5.077 5.432 2.760 1.00 0.00 C ATOM 134 CZ TYR A 12 5.279 4.918 4.024 1.00 0.00 C ATOM 135 OH TYR A 12 5.854 5.703 4.998 1.00 0.00 O ATOM 0 H TYR A 12 5.335 3.435 -0.420 1.00 0.00 H new ATOM 0 HA TYR A 12 4.916 0.871 0.876 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.945 3.111 0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.748 1.813 1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.042 1.825 3.570 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.340 5.047 0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.068 3.222 5.307 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.370 6.447 2.533 1.00 0.00 H new ATOM 0 HH TYR A 12 6.057 6.587 4.628 1.00 0.00 H new ATOM 145 N LYS A 13 3.600 -0.400 -0.789 1.00 0.00 N ATOM 146 CA LYS A 13 2.941 -1.202 -1.812 1.00 0.00 C ATOM 147 C LYS A 13 1.869 -2.096 -1.196 1.00 0.00 C ATOM 148 O LYS A 13 2.068 -2.676 -0.128 1.00 0.00 O ATOM 149 CB LYS A 13 3.967 -2.058 -2.558 1.00 0.00 C ATOM 150 CG LYS A 13 3.342 -3.102 -3.468 1.00 0.00 C ATOM 151 CD LYS A 13 4.263 -4.294 -3.665 1.00 0.00 C ATOM 152 CE LYS A 13 3.477 -5.566 -3.941 1.00 0.00 C ATOM 153 NZ LYS A 13 4.308 -6.594 -4.626 1.00 0.00 N ATOM 0 H LYS A 13 3.894 -0.926 0.034 1.00 0.00 H new ATOM 0 HA LYS A 13 2.462 -0.523 -2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.608 -1.407 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.607 -2.558 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.397 -3.438 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.114 -2.653 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.942 -4.097 -4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.878 -4.431 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.100 -5.971 -3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.610 -5.330 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.736 -7.446 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.647 -6.217 -5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.122 -6.838 -4.027 1.00 0.00 H new ATOM 167 N CYS A 14 0.732 -2.204 -1.876 1.00 0.00 N ATOM 168 CA CYS A 14 -0.371 -3.027 -1.396 1.00 0.00 C ATOM 169 C CYS A 14 -0.184 -4.484 -1.813 1.00 0.00 C ATOM 170 O CYS A 14 -0.247 -4.813 -2.997 1.00 0.00 O ATOM 171 CB CYS A 14 -1.701 -2.498 -1.935 1.00 0.00 C ATOM 172 SG CYS A 14 -3.110 -3.624 -1.675 1.00 0.00 S ATOM 0 H CYS A 14 0.551 -1.731 -2.762 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.382 -2.977 -0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.920 -1.543 -1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.597 -2.304 -3.003 1.00 0.00 H new ATOM 177 N GLU A 15 0.046 -5.350 -0.831 1.00 0.00 N ATOM 178 CA GLU A 15 0.243 -6.770 -1.096 1.00 0.00 C ATOM 179 C GLU A 15 -1.084 -7.453 -1.414 1.00 0.00 C ATOM 180 O GLU A 15 -1.123 -8.467 -2.112 1.00 0.00 O ATOM 181 CB GLU A 15 0.904 -7.449 0.105 1.00 0.00 C ATOM 182 CG GLU A 15 2.217 -6.807 0.521 1.00 0.00 C ATOM 183 CD GLU A 15 3.034 -7.693 1.441 1.00 0.00 C ATOM 184 OE1 GLU A 15 3.042 -8.923 1.228 1.00 0.00 O ATOM 185 OE2 GLU A 15 3.666 -7.155 2.374 1.00 0.00 O ATOM 0 H GLU A 15 0.100 -5.093 0.155 1.00 0.00 H new ATOM 0 HA GLU A 15 0.897 -6.864 -1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.215 -7.426 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.082 -8.498 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.802 -6.576 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.012 -5.861 1.022 1.00 0.00 H new ATOM 192 N THR A 16 -2.171 -6.890 -0.896 1.00 0.00 N ATOM 193 CA THR A 16 -3.500 -7.445 -1.122 1.00 0.00 C ATOM 194 C THR A 16 -3.815 -7.528 -2.611 1.00 0.00 C ATOM 195 O THR A 16 -4.426 -8.492 -3.074 1.00 0.00 O ATOM 196 CB THR A 16 -4.586 -6.603 -0.425 1.00 0.00 C ATOM 197 OG1 THR A 16 -4.480 -6.746 0.996 1.00 0.00 O ATOM 198 CG2 THR A 16 -5.974 -7.026 -0.880 1.00 0.00 C ATOM 0 H THR A 16 -2.157 -6.050 -0.317 1.00 0.00 H new ATOM 0 HA THR A 16 -3.500 -8.449 -0.697 1.00 0.00 H new ATOM 0 HB THR A 16 -4.435 -5.558 -0.697 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.172 -6.206 1.432 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.724 -6.418 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.061 -6.888 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.133 -8.076 -0.634 1.00 0.00 H new ATOM 206 N CYS A 17 -3.395 -6.512 -3.357 1.00 0.00 N ATOM 207 CA CYS A 17 -3.632 -6.470 -4.795 1.00 0.00 C ATOM 208 C CYS A 17 -2.337 -6.191 -5.552 1.00 0.00 C ATOM 209 O CYS A 17 -2.072 -6.790 -6.593 1.00 0.00 O ATOM 210 CB CYS A 17 -4.672 -5.399 -5.131 1.00 0.00 C ATOM 211 SG CYS A 17 -4.104 -3.693 -4.840 1.00 0.00 S ATOM 0 H CYS A 17 -2.889 -5.706 -2.989 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.010 -7.444 -5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.958 -5.502 -6.178 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.568 -5.579 -4.537 1.00 0.00 H new ATOM 216 N GLY A 18 -1.532 -5.276 -5.020 1.00 0.00 N ATOM 217 CA GLY A 18 -0.274 -4.933 -5.658 1.00 0.00 C ATOM 218 C GLY A 18 -0.163 -3.452 -5.961 1.00 0.00 C ATOM 219 O GLY A 18 0.695 -3.034 -6.739 1.00 0.00 O ATOM 0 H GLY A 18 -1.729 -4.766 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.551 -5.231 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.174 -5.499 -6.584 1.00 0.00 H new ATOM 223 N ALA A 19 -1.032 -2.657 -5.346 1.00 0.00 N ATOM 224 CA ALA A 19 -1.027 -1.214 -5.555 1.00 0.00 C ATOM 225 C ALA A 19 0.218 -0.576 -4.947 1.00 0.00 C ATOM 226 O ALA A 19 1.068 -1.266 -4.383 1.00 0.00 O ATOM 227 CB ALA A 19 -2.283 -0.591 -4.964 1.00 0.00 C ATOM 0 H ALA A 19 -1.748 -2.987 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.012 -1.027 -6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.266 0.487 -5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.162 -1.017 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.322 -0.795 -3.894 1.00 0.00 H new ATOM 233 N ARG A 20 0.319 0.743 -5.067 1.00 0.00 N ATOM 234 CA ARG A 20 1.462 1.474 -4.531 1.00 0.00 C ATOM 235 C ARG A 20 1.068 2.898 -4.152 1.00 0.00 C ATOM 236 O ARG A 20 0.075 3.432 -4.649 1.00 0.00 O ATOM 237 CB ARG A 20 2.600 1.503 -5.552 1.00 0.00 C ATOM 238 CG ARG A 20 3.372 0.196 -5.641 1.00 0.00 C ATOM 239 CD ARG A 20 4.292 0.174 -6.852 1.00 0.00 C ATOM 240 NE ARG A 20 3.553 0.317 -8.104 1.00 0.00 N ATOM 241 CZ ARG A 20 2.902 -0.681 -8.691 1.00 0.00 C ATOM 242 NH1 ARG A 20 2.898 -1.888 -8.142 1.00 0.00 N ATOM 243 NH2 ARG A 20 2.252 -0.473 -9.829 1.00 0.00 N ATOM 0 H ARG A 20 -0.376 1.328 -5.530 1.00 0.00 H new ATOM 0 HA ARG A 20 1.802 0.959 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.190 1.741 -6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.290 2.306 -5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.960 0.057 -4.734 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.672 -0.638 -5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.021 0.980 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.851 -0.762 -6.866 1.00 0.00 H new ATOM 0 HE ARG A 20 3.536 1.233 -8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.396 -2.052 -7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.397 -2.653 -8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.252 0.454 -10.254 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.753 -1.240 -10.279 1.00 0.00 H new ATOM 257 N PHE A 21 1.851 3.508 -3.269 1.00 0.00 N ATOM 258 CA PHE A 21 1.583 4.870 -2.822 1.00 0.00 C ATOM 259 C PHE A 21 2.850 5.523 -2.277 1.00 0.00 C ATOM 260 O PHE A 21 3.802 4.839 -1.902 1.00 0.00 O ATOM 261 CB PHE A 21 0.493 4.872 -1.748 1.00 0.00 C ATOM 262 CG PHE A 21 -0.683 4.001 -2.086 1.00 0.00 C ATOM 263 CD1 PHE A 21 -0.577 2.620 -2.030 1.00 0.00 C ATOM 264 CD2 PHE A 21 -1.894 4.562 -2.459 1.00 0.00 C ATOM 265 CE1 PHE A 21 -1.658 1.816 -2.342 1.00 0.00 C ATOM 266 CE2 PHE A 21 -2.977 3.763 -2.771 1.00 0.00 C ATOM 267 CZ PHE A 21 -2.859 2.388 -2.711 1.00 0.00 C ATOM 0 H PHE A 21 2.676 3.081 -2.849 1.00 0.00 H new ATOM 0 HA PHE A 21 1.239 5.446 -3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.923 4.537 -0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.146 5.894 -1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.360 2.167 -1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.992 5.636 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.563 0.741 -2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.915 4.213 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.705 1.761 -2.952 1.00 0.00 H new ATOM 277 N VAL A 22 2.854 6.852 -2.238 1.00 0.00 N ATOM 278 CA VAL A 22 4.003 7.598 -1.739 1.00 0.00 C ATOM 279 C VAL A 22 4.038 7.599 -0.215 1.00 0.00 C ATOM 280 O VAL A 22 5.106 7.515 0.391 1.00 0.00 O ATOM 281 CB VAL A 22 3.987 9.054 -2.241 1.00 0.00 C ATOM 282 CG1 VAL A 22 2.603 9.663 -2.072 1.00 0.00 C ATOM 283 CG2 VAL A 22 5.035 9.881 -1.511 1.00 0.00 C ATOM 0 H VAL A 22 2.075 7.434 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 22 4.894 7.099 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 22 4.231 9.056 -3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.612 10.692 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.878 9.084 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.326 9.650 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.010 10.907 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.824 9.873 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.023 9.456 -1.689 1.00 0.00 H new ATOM 293 N GLN A 23 2.863 7.693 0.399 1.00 0.00 N ATOM 294 CA GLN A 23 2.760 7.705 1.854 1.00 0.00 C ATOM 295 C GLN A 23 1.884 6.558 2.346 1.00 0.00 C ATOM 296 O GLN A 23 0.924 6.167 1.682 1.00 0.00 O ATOM 297 CB GLN A 23 2.191 9.041 2.335 1.00 0.00 C ATOM 298 CG GLN A 23 3.248 10.115 2.534 1.00 0.00 C ATOM 299 CD GLN A 23 3.846 10.095 3.927 1.00 0.00 C ATOM 300 OE1 GLN A 23 3.466 10.886 4.790 1.00 0.00 O ATOM 301 NE2 GLN A 23 4.788 9.187 4.154 1.00 0.00 N ATOM 0 H GLN A 23 1.969 7.762 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 23 3.761 7.576 2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.456 9.395 1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.663 8.884 3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.042 9.978 1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.806 11.094 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.073 8.551 3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.227 9.126 5.073 1.00 0.00 H new ATOM 310 N VAL A 24 2.220 6.023 3.516 1.00 0.00 N ATOM 311 CA VAL A 24 1.463 4.921 4.098 1.00 0.00 C ATOM 312 C VAL A 24 0.006 5.312 4.319 1.00 0.00 C ATOM 313 O VAL A 24 -0.904 4.526 4.056 1.00 0.00 O ATOM 314 CB VAL A 24 2.072 4.469 5.439 1.00 0.00 C ATOM 315 CG1 VAL A 24 1.456 5.245 6.593 1.00 0.00 C ATOM 316 CG2 VAL A 24 1.884 2.972 5.631 1.00 0.00 C ATOM 0 H VAL A 24 3.011 6.335 4.079 1.00 0.00 H new ATOM 0 HA VAL A 24 1.510 4.094 3.389 1.00 0.00 H new ATOM 0 HB VAL A 24 3.142 4.678 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.898 4.912 7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.647 6.310 6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.380 5.070 6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.320 2.670 6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.820 2.736 5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.377 2.436 4.820 1.00 0.00 H new ATOM 326 N ALA A 25 -0.207 6.530 4.804 1.00 0.00 N ATOM 327 CA ALA A 25 -1.553 7.027 5.059 1.00 0.00 C ATOM 328 C ALA A 25 -2.466 6.774 3.864 1.00 0.00 C ATOM 329 O ALA A 25 -3.681 6.640 4.015 1.00 0.00 O ATOM 330 CB ALA A 25 -1.515 8.511 5.391 1.00 0.00 C ATOM 0 H ALA A 25 0.536 7.192 5.029 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.957 6.486 5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.528 8.868 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.904 8.670 6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.086 9.060 4.553 1.00 0.00 H new ATOM 336 N HIS A 26 -1.874 6.710 2.675 1.00 0.00 N ATOM 337 CA HIS A 26 -2.635 6.473 1.454 1.00 0.00 C ATOM 338 C HIS A 26 -2.865 4.980 1.238 1.00 0.00 C ATOM 339 O HIS A 26 -3.993 4.542 1.005 1.00 0.00 O ATOM 340 CB HIS A 26 -1.905 7.068 0.249 1.00 0.00 C ATOM 341 CG HIS A 26 -1.391 8.454 0.486 1.00 0.00 C ATOM 342 ND1 HIS A 26 -1.464 9.252 1.577 1.00 0.00 N flip ATOM 343 CD2 HIS A 26 -0.707 9.177 -0.469 1.00 0.00 C flip ATOM 344 CE1 HIS A 26 -0.830 10.429 1.265 1.00 0.00 C flip ATOM 345 NE2 HIS A 26 -0.381 10.358 0.024 1.00 0.00 N flip ATOM 0 H HIS A 26 -0.870 6.819 2.532 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.604 6.961 1.559 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.070 6.420 -0.016 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.582 7.081 -0.605 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.474 8.831 -1.465 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.717 11.275 1.926 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.130 11.090 -0.469 1.00 0.00 H new ATOM 353 N LEU A 27 -1.790 4.204 1.316 1.00 0.00 N ATOM 354 CA LEU A 27 -1.874 2.759 1.128 1.00 0.00 C ATOM 355 C LEU A 27 -2.756 2.122 2.196 1.00 0.00 C ATOM 356 O LEU A 27 -3.713 1.414 1.884 1.00 0.00 O ATOM 357 CB LEU A 27 -0.477 2.138 1.166 1.00 0.00 C ATOM 358 CG LEU A 27 -0.420 0.627 1.394 1.00 0.00 C ATOM 359 CD1 LEU A 27 -1.186 -0.106 0.305 1.00 0.00 C ATOM 360 CD2 LEU A 27 1.024 0.150 1.447 1.00 0.00 C ATOM 0 H LEU A 27 -0.850 4.550 1.508 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.322 2.569 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.024 2.362 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.094 2.626 1.955 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.890 0.405 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.134 -1.180 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.228 0.214 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.746 0.122 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.045 -0.928 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.519 0.385 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.543 0.651 2.264 1.00 0.00 H new ATOM 372 N ARG A 28 -2.428 2.379 3.458 1.00 0.00 N ATOM 373 CA ARG A 28 -3.191 1.831 4.573 1.00 0.00 C ATOM 374 C ARG A 28 -4.655 2.251 4.488 1.00 0.00 C ATOM 375 O ARG A 28 -5.523 1.645 5.116 1.00 0.00 O ATOM 376 CB ARG A 28 -2.593 2.293 5.904 1.00 0.00 C ATOM 377 CG ARG A 28 -2.939 3.729 6.261 1.00 0.00 C ATOM 378 CD ARG A 28 -2.310 4.142 7.582 1.00 0.00 C ATOM 379 NE ARG A 28 -3.135 3.758 8.725 1.00 0.00 N ATOM 380 CZ ARG A 28 -4.171 4.469 9.155 1.00 0.00 C ATOM 381 NH1 ARG A 28 -4.508 5.595 8.541 1.00 0.00 N ATOM 382 NH2 ARG A 28 -4.873 4.054 10.202 1.00 0.00 N ATOM 0 H ARG A 28 -1.639 2.963 3.734 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.139 0.744 4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.945 1.635 6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.509 2.189 5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.595 4.395 5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.022 3.839 6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.326 3.682 7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.159 5.222 7.590 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.903 2.897 9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.971 5.917 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.304 6.139 8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.617 3.188 10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.669 4.601 10.532 1.00 0.00 H new ATOM 396 N ALA A 29 -4.923 3.293 3.708 1.00 0.00 N ATOM 397 CA ALA A 29 -6.282 3.793 3.539 1.00 0.00 C ATOM 398 C ALA A 29 -6.948 3.170 2.317 1.00 0.00 C ATOM 399 O ALA A 29 -8.163 3.272 2.141 1.00 0.00 O ATOM 400 CB ALA A 29 -6.275 5.310 3.424 1.00 0.00 C ATOM 0 H ALA A 29 -4.216 3.808 3.183 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.860 3.509 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.296 5.670 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.847 5.742 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.677 5.607 2.562 1.00 0.00 H new ATOM 406 N HIS A 30 -6.146 2.526 1.476 1.00 0.00 N ATOM 407 CA HIS A 30 -6.659 1.886 0.269 1.00 0.00 C ATOM 408 C HIS A 30 -6.843 0.387 0.485 1.00 0.00 C ATOM 409 O HIS A 30 -7.754 -0.224 -0.074 1.00 0.00 O ATOM 410 CB HIS A 30 -5.712 2.132 -0.906 1.00 0.00 C ATOM 411 CG HIS A 30 -5.744 1.047 -1.937 1.00 0.00 C ATOM 412 ND1 HIS A 30 -6.482 1.134 -3.099 1.00 0.00 N ATOM 413 CD2 HIS A 30 -5.122 -0.155 -1.978 1.00 0.00 C ATOM 414 CE1 HIS A 30 -6.314 0.032 -3.809 1.00 0.00 C ATOM 415 NE2 HIS A 30 -5.492 -0.766 -3.151 1.00 0.00 N ATOM 0 H HIS A 30 -5.139 2.433 1.607 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.631 2.324 0.040 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.971 3.079 -1.379 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.695 2.233 -0.527 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -7.066 1.925 -3.368 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.458 -0.558 -1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.771 -0.180 -4.764 1.00 0.00 H new ATOM 423 N VAL A 31 -5.972 -0.200 1.299 1.00 0.00 N ATOM 424 CA VAL A 31 -6.038 -1.627 1.589 1.00 0.00 C ATOM 425 C VAL A 31 -7.339 -1.984 2.299 1.00 0.00 C ATOM 426 O VAL A 31 -7.757 -3.143 2.308 1.00 0.00 O ATOM 427 CB VAL A 31 -4.850 -2.079 2.460 1.00 0.00 C ATOM 428 CG1 VAL A 31 -3.685 -2.519 1.587 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.429 -0.964 3.405 1.00 0.00 C ATOM 0 H VAL A 31 -5.212 0.291 1.770 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.995 -2.146 0.632 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.165 -2.933 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.855 -2.835 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.997 -3.351 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.366 -1.687 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.589 -1.300 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.131 -0.090 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.265 -0.702 4.054 1.00 0.00 H new ATOM 439 N LEU A 32 -7.977 -0.981 2.892 1.00 0.00 N ATOM 440 CA LEU A 32 -9.233 -1.188 3.605 1.00 0.00 C ATOM 441 C LEU A 32 -10.353 -1.557 2.639 1.00 0.00 C ATOM 442 O LEU A 32 -11.370 -2.125 3.039 1.00 0.00 O ATOM 443 CB LEU A 32 -9.612 0.071 4.387 1.00 0.00 C ATOM 444 CG LEU A 32 -8.513 0.674 5.263 1.00 0.00 C ATOM 445 CD1 LEU A 32 -8.925 2.048 5.767 1.00 0.00 C ATOM 446 CD2 LEU A 32 -8.194 -0.250 6.429 1.00 0.00 C ATOM 0 H LEU A 32 -7.645 -0.016 2.893 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.094 -2.014 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.940 0.830 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.467 -0.163 5.021 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.614 0.787 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.130 2.461 6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.102 2.709 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.838 1.961 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.410 0.195 7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.089 -0.395 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.854 -1.213 6.048 1.00 0.00 H new ATOM 458 N ILE A 33 -10.159 -1.233 1.365 1.00 0.00 N ATOM 459 CA ILE A 33 -11.152 -1.534 0.341 1.00 0.00 C ATOM 460 C ILE A 33 -11.460 -3.026 0.295 1.00 0.00 C ATOM 461 O ILE A 33 -12.620 -3.429 0.206 1.00 0.00 O ATOM 462 CB ILE A 33 -10.680 -1.076 -1.052 1.00 0.00 C ATOM 463 CG1 ILE A 33 -9.506 -1.935 -1.525 1.00 0.00 C ATOM 464 CG2 ILE A 33 -10.289 0.394 -1.022 1.00 0.00 C ATOM 465 CD1 ILE A 33 -8.797 -1.374 -2.738 1.00 0.00 C ATOM 0 H ILE A 33 -9.324 -0.762 1.017 1.00 0.00 H new ATOM 0 HA ILE A 33 -12.056 -0.987 0.608 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.503 -1.199 -1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.789 -2.037 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.869 -2.936 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.958 0.703 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.149 0.993 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.479 0.541 -0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.976 -2.034 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.500 -1.298 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.403 -0.385 -2.504 1.00 0.00 H new ATOM 477 N HIS A 34 -10.414 -3.843 0.359 1.00 0.00 N ATOM 478 CA HIS A 34 -10.573 -5.293 0.328 1.00 0.00 C ATOM 479 C HIS A 34 -11.072 -5.814 1.672 1.00 0.00 C ATOM 480 O HIS A 34 -12.017 -6.601 1.734 1.00 0.00 O ATOM 481 CB HIS A 34 -9.247 -5.965 -0.032 1.00 0.00 C ATOM 482 CG HIS A 34 -8.452 -5.211 -1.053 1.00 0.00 C ATOM 483 ND1 HIS A 34 -8.631 -5.365 -2.411 1.00 0.00 N ATOM 484 CD2 HIS A 34 -7.469 -4.292 -0.907 1.00 0.00 C ATOM 485 CE1 HIS A 34 -7.792 -4.575 -3.057 1.00 0.00 C ATOM 486 NE2 HIS A 34 -7.076 -3.913 -2.167 1.00 0.00 N ATOM 0 H HIS A 34 -9.447 -3.526 0.433 1.00 0.00 H new ATOM 0 HA HIS A 34 -11.314 -5.536 -0.434 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.649 -6.077 0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.448 -6.968 -0.408 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -9.306 -5.992 -2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.068 -3.925 0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.706 -4.486 -4.130 1.00 0.00 H new ATOM 494 N THR A 35 -10.430 -5.370 2.749 1.00 0.00 N ATOM 495 CA THR A 35 -10.808 -5.793 4.092 1.00 0.00 C ATOM 496 C THR A 35 -11.953 -4.945 4.633 1.00 0.00 C ATOM 497 O THR A 35 -12.039 -4.695 5.835 1.00 0.00 O ATOM 498 CB THR A 35 -9.616 -5.706 5.064 1.00 0.00 C ATOM 499 OG1 THR A 35 -9.994 -6.213 6.349 1.00 0.00 O ATOM 500 CG2 THR A 35 -9.133 -4.270 5.201 1.00 0.00 C ATOM 0 H THR A 35 -9.646 -4.718 2.717 1.00 0.00 H new ATOM 0 HA THR A 35 -11.132 -6.831 4.018 1.00 0.00 H new ATOM 0 HB THR A 35 -8.802 -6.309 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.822 -5.778 6.642 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.291 -4.234 5.892 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.819 -3.897 4.226 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.943 -3.649 5.583 1.00 0.00 H new ATOM 508 N GLY A 36 -12.833 -4.505 3.738 1.00 0.00 N ATOM 509 CA GLY A 36 -13.962 -3.691 4.146 1.00 0.00 C ATOM 510 C GLY A 36 -14.872 -4.408 5.124 1.00 0.00 C ATOM 511 O GLY A 36 -15.046 -3.966 6.259 1.00 0.00 O ATOM 0 H GLY A 36 -12.783 -4.698 2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.596 -2.771 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.536 -3.403 3.265 1.00 0.00 H new ATOM 515 N SER A 37 -15.454 -5.519 4.683 1.00 0.00 N ATOM 516 CA SER A 37 -16.355 -6.296 5.525 1.00 0.00 C ATOM 517 C SER A 37 -15.623 -7.475 6.160 1.00 0.00 C ATOM 518 O SER A 37 -16.147 -8.587 6.219 1.00 0.00 O ATOM 519 CB SER A 37 -17.545 -6.801 4.707 1.00 0.00 C ATOM 520 OG SER A 37 -18.527 -7.388 5.543 1.00 0.00 O ATOM 0 H SER A 37 -15.317 -5.901 3.747 1.00 0.00 H new ATOM 0 HA SER A 37 -16.720 -5.646 6.320 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.985 -5.974 4.150 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.203 -7.532 3.974 1.00 0.00 H new ATOM 0 HG SER A 37 -18.114 -8.086 6.093 1.00 0.00 H new ATOM 526 N GLY A 38 -14.407 -7.222 6.636 1.00 0.00 N ATOM 527 CA GLY A 38 -13.622 -8.270 7.260 1.00 0.00 C ATOM 528 C GLY A 38 -13.413 -9.461 6.345 1.00 0.00 C ATOM 529 O GLY A 38 -14.163 -9.679 5.394 1.00 0.00 O ATOM 0 H GLY A 38 -13.952 -6.310 6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.653 -7.867 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.121 -8.599 8.172 1.00 0.00 H new ATOM 533 N PRO A 39 -12.370 -10.255 6.630 1.00 0.00 N ATOM 534 CA PRO A 39 -12.039 -11.442 5.837 1.00 0.00 C ATOM 535 C PRO A 39 -13.062 -12.559 6.010 1.00 0.00 C ATOM 536 O PRO A 39 -13.359 -12.974 7.131 1.00 0.00 O ATOM 537 CB PRO A 39 -10.679 -11.872 6.392 1.00 0.00 C ATOM 538 CG PRO A 39 -10.652 -11.339 7.783 1.00 0.00 C ATOM 539 CD PRO A 39 -11.434 -10.055 7.750 1.00 0.00 C ATOM 0 HA PRO A 39 -12.030 -11.228 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.572 -12.957 6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.862 -11.465 5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.096 -12.048 8.481 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.628 -11.164 8.114 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.961 -9.881 8.688 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.786 -9.194 7.584 1.00 0.00 H new ATOM 547 N SER A 40 -13.599 -13.042 4.894 1.00 0.00 N ATOM 548 CA SER A 40 -14.592 -14.110 4.924 1.00 0.00 C ATOM 549 C SER A 40 -14.257 -15.134 6.003 1.00 0.00 C ATOM 550 O SER A 40 -15.134 -15.586 6.739 1.00 0.00 O ATOM 551 CB SER A 40 -14.673 -14.797 3.559 1.00 0.00 C ATOM 552 OG SER A 40 -13.390 -15.201 3.115 1.00 0.00 O ATOM 0 H SER A 40 -13.363 -12.711 3.958 1.00 0.00 H new ATOM 0 HA SER A 40 -15.560 -13.667 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.329 -15.665 3.624 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.116 -14.117 2.832 1.00 0.00 H new ATOM 0 HG SER A 40 -13.469 -15.639 2.242 1.00 0.00 H new ATOM 558 N SER A 41 -12.981 -15.496 6.091 1.00 0.00 N ATOM 559 CA SER A 41 -12.529 -16.470 7.077 1.00 0.00 C ATOM 560 C SER A 41 -12.129 -15.781 8.378 1.00 0.00 C ATOM 561 O SER A 41 -11.154 -15.033 8.423 1.00 0.00 O ATOM 562 CB SER A 41 -11.347 -17.273 6.528 1.00 0.00 C ATOM 563 OG SER A 41 -11.793 -18.342 5.711 1.00 0.00 O ATOM 0 H SER A 41 -12.242 -15.129 5.491 1.00 0.00 H new ATOM 0 HA SER A 41 -13.356 -17.149 7.285 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.695 -16.618 5.951 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.754 -17.665 7.354 1.00 0.00 H new ATOM 0 HG SER A 41 -11.020 -18.839 5.371 1.00 0.00 H new ATOM 569 N GLY A 42 -12.892 -16.039 9.436 1.00 0.00 N ATOM 570 CA GLY A 42 -12.603 -15.436 10.724 1.00 0.00 C ATOM 571 C GLY A 42 -12.505 -13.926 10.648 1.00 0.00 C ATOM 572 O GLY A 42 -13.212 -13.242 11.388 1.00 0.00 O ATOM 0 H GLY A 42 -13.705 -16.655 9.424 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.383 -15.711 11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.666 -15.839 11.108 1.00 0.00 H new TER 576 GLY A 42 HETATM 577 ZN ZN A 201 -5.036 -3.019 -2.822 1.00 0.00 ZN