USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 685 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 Single : A 1 GLY N :NH3+ -120:sc= 0.167 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0852 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.99 K(o=-2,f=-0.18) USER MOD Single : A 40 SER OG : rot 180:sc= 0.221 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.487 K(o=-0.49,f=-1.3) USER MOD Single : A 66 SER OG : rot 83:sc= 1.07 USER MOD Single : A 67 SER OG : rot 45:sc= 0.342 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= 0.565 (180deg=-0.398) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= -0.0747 (180deg=-0.507) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.937 3.040 -1.858 1.00 21.53 N ATOM 2 CA GLY A 1 1.906 3.789 -2.651 1.00 12.12 C ATOM 3 C GLY A 1 1.272 4.322 -3.921 1.00 55.10 C ATOM 4 O GLY A 1 0.081 4.039 -4.145 1.00 34.24 O ATOM 0 H1 GLY A 1 0.833 3.486 -0.924 1.00 21.53 H new ATOM 0 H2 GLY A 1 0.018 3.038 -2.345 1.00 21.53 H new ATOM 0 H3 GLY A 1 1.268 2.061 -1.739 1.00 21.53 H new ATOM 0 HA2 GLY A 1 2.301 4.617 -2.062 1.00 12.12 H new ATOM 0 HA3 GLY A 1 2.749 3.146 -2.903 1.00 12.12 H new ATOM 8 N ALA A 2 2.005 5.054 -4.749 1.00 64.42 N ATOM 9 CA ALA A 2 1.486 5.518 -6.018 1.00 62.32 C ATOM 10 C ALA A 2 1.370 4.286 -6.916 1.00 4.02 C ATOM 11 O ALA A 2 2.118 3.334 -6.760 1.00 22.32 O ATOM 12 CB ALA A 2 2.427 6.543 -6.625 1.00 23.21 C ATOM 0 H ALA A 2 2.966 5.338 -4.558 1.00 64.42 H new ATOM 0 HA ALA A 2 0.517 6.002 -5.899 1.00 62.32 H new ATOM 0 HB1 ALA A 2 2.026 6.885 -7.579 1.00 23.21 H new ATOM 0 HB2 ALA A 2 2.526 7.392 -5.948 1.00 23.21 H new ATOM 0 HB3 ALA A 2 3.405 6.090 -6.784 1.00 23.21 H new ATOM 18 N MET A 3 0.410 4.302 -7.834 1.00 41.33 N ATOM 19 CA MET A 3 0.176 3.139 -8.709 1.00 4.12 C ATOM 20 C MET A 3 1.282 3.046 -9.765 1.00 10.14 C ATOM 21 O MET A 3 1.873 4.068 -10.143 1.00 4.44 O ATOM 22 CB MET A 3 -1.190 3.222 -9.426 1.00 13.52 C ATOM 23 CG MET A 3 -1.363 4.401 -10.395 1.00 1.53 C ATOM 24 SD MET A 3 -3.032 4.481 -11.090 1.00 21.24 S ATOM 25 CE MET A 3 -3.977 5.278 -9.753 1.00 51.33 C ATOM 0 H MET A 3 -0.215 5.091 -7.997 1.00 41.33 H new ATOM 0 HA MET A 3 0.180 2.253 -8.075 1.00 4.12 H new ATOM 0 HB2 MET A 3 -1.346 2.296 -9.978 1.00 13.52 H new ATOM 0 HB3 MET A 3 -1.973 3.279 -8.670 1.00 13.52 H new ATOM 0 HG2 MET A 3 -1.144 5.332 -9.873 1.00 1.53 H new ATOM 0 HG3 MET A 3 -0.639 4.312 -11.205 1.00 1.53 H new ATOM 0 HE1 MET A 3 -5.018 5.384 -10.057 1.00 51.33 H new ATOM 0 HE2 MET A 3 -3.922 4.665 -8.853 1.00 51.33 H new ATOM 0 HE3 MET A 3 -3.557 6.262 -9.547 1.00 51.33 H new ATOM 35 N ALA A 4 1.551 1.842 -10.238 1.00 44.22 N ATOM 36 CA ALA A 4 2.554 1.650 -11.261 1.00 64.23 C ATOM 37 C ALA A 4 2.058 2.295 -12.546 1.00 21.01 C ATOM 38 O ALA A 4 0.828 2.394 -12.777 1.00 61.20 O ATOM 39 CB ALA A 4 2.807 0.119 -11.483 1.00 72.42 C ATOM 0 H ALA A 4 1.088 0.987 -9.929 1.00 44.22 H new ATOM 0 HA ALA A 4 3.494 2.110 -10.956 1.00 64.23 H new ATOM 0 HB1 ALA A 4 3.564 -0.016 -12.255 1.00 72.42 H new ATOM 0 HB2 ALA A 4 3.153 -0.331 -10.553 1.00 72.42 H new ATOM 0 HB3 ALA A 4 1.880 -0.361 -11.796 1.00 72.42 H new ATOM 45 N LYS A 5 2.983 2.717 -13.381 1.00 61.15 N ATOM 46 CA LYS A 5 2.618 3.313 -14.660 1.00 15.33 C ATOM 47 C LYS A 5 1.918 2.249 -15.475 1.00 70.55 C ATOM 48 O LYS A 5 2.431 1.135 -15.567 1.00 53.15 O ATOM 49 CB LYS A 5 3.863 3.818 -15.379 1.00 43.32 C ATOM 50 CG LYS A 5 3.581 4.948 -16.366 1.00 54.10 C ATOM 51 CD LYS A 5 4.865 5.370 -17.019 1.00 22.55 C ATOM 52 CE LYS A 5 4.765 6.709 -17.744 1.00 21.42 C ATOM 53 NZ LYS A 5 3.903 6.635 -18.982 1.00 74.40 N ATOM 0 H LYS A 5 3.986 2.662 -13.205 1.00 61.15 H new ATOM 0 HA LYS A 5 1.957 4.167 -14.514 1.00 15.33 H new ATOM 0 HB2 LYS A 5 4.585 4.164 -14.639 1.00 43.32 H new ATOM 0 HB3 LYS A 5 4.327 2.988 -15.912 1.00 43.32 H new ATOM 0 HG2 LYS A 5 2.868 4.617 -17.121 1.00 54.10 H new ATOM 0 HG3 LYS A 5 3.128 5.794 -15.848 1.00 54.10 H new ATOM 0 HD2 LYS A 5 5.646 5.433 -16.261 1.00 22.55 H new ATOM 0 HD3 LYS A 5 5.172 4.603 -17.730 1.00 22.55 H new ATOM 0 HE2 LYS A 5 4.355 7.456 -17.064 1.00 21.42 H new ATOM 0 HE3 LYS A 5 5.765 7.044 -18.021 1.00 21.42 H new ATOM 0 HZ1 LYS A 5 3.868 7.570 -19.437 1.00 74.40 H new ATOM 0 HZ2 LYS A 5 4.306 5.942 -19.645 1.00 74.40 H new ATOM 0 HZ3 LYS A 5 2.941 6.342 -18.718 1.00 74.40 H new ATOM 67 N ALA A 6 0.776 2.566 -16.024 1.00 34.42 N ATOM 68 CA ALA A 6 0.006 1.608 -16.781 1.00 51.40 C ATOM 69 C ALA A 6 0.699 1.233 -18.077 1.00 70.54 C ATOM 70 O ALA A 6 1.301 2.128 -18.734 1.00 1.01 O ATOM 71 CB ALA A 6 -1.382 2.220 -17.110 1.00 52.32 C ATOM 0 H ALA A 6 0.352 3.492 -15.961 1.00 34.42 H new ATOM 0 HA ALA A 6 -0.101 0.706 -16.178 1.00 51.40 H new ATOM 0 HB1 ALA A 6 -1.970 1.502 -17.682 1.00 52.32 H new ATOM 0 HB2 ALA A 6 -1.903 2.459 -16.183 1.00 52.32 H new ATOM 0 HB3 ALA A 6 -1.249 3.129 -17.696 1.00 52.32 H new ATOM 77 N PRO A 7 0.664 -0.035 -18.510 1.00 61.05 N ATOM 78 CA PRO A 7 1.295 -0.378 -19.794 1.00 42.40 C ATOM 79 C PRO A 7 0.413 0.032 -20.933 1.00 14.23 C ATOM 80 O PRO A 7 -0.724 0.585 -20.777 1.00 23.43 O ATOM 81 CB PRO A 7 1.350 -1.900 -19.739 1.00 14.34 C ATOM 82 CG PRO A 7 0.173 -2.322 -18.935 1.00 3.13 C ATOM 83 CD PRO A 7 0.066 -1.241 -17.873 1.00 50.11 C ATOM 0 HA PRO A 7 2.261 0.106 -19.940 1.00 42.40 H new ATOM 0 HB2 PRO A 7 1.313 -2.329 -20.741 1.00 14.34 H new ATOM 0 HB3 PRO A 7 2.278 -2.241 -19.281 1.00 14.34 H new ATOM 0 HG2 PRO A 7 -0.730 -2.378 -19.543 1.00 3.13 H new ATOM 0 HG3 PRO A 7 0.321 -3.307 -18.492 1.00 3.13 H new ATOM 0 HD2 PRO A 7 -0.971 -1.066 -17.587 1.00 50.11 H new ATOM 0 HD3 PRO A 7 0.604 -1.520 -16.967 1.00 50.11 H new ATOM 91 N GLU A 8 0.883 -0.205 -22.132 1.00 24.13 N ATOM 92 CA GLU A 8 0.166 0.199 -23.346 1.00 52.42 C ATOM 93 C GLU A 8 -0.938 -0.838 -23.629 1.00 64.11 C ATOM 94 O GLU A 8 -0.935 -1.927 -23.052 1.00 4.23 O ATOM 95 CB GLU A 8 1.215 0.252 -24.469 1.00 52.42 C ATOM 96 CG GLU A 8 1.677 -1.126 -24.940 1.00 24.34 C ATOM 97 CD GLU A 8 2.832 -1.026 -25.944 1.00 50.30 C ATOM 98 OE1 GLU A 8 2.759 -0.104 -26.814 1.00 55.20 O ATOM 99 OE2 GLU A 8 3.765 -1.814 -25.885 1.00 24.41 O ATOM 0 H GLU A 8 1.768 -0.680 -22.309 1.00 24.13 H new ATOM 0 HA GLU A 8 -0.318 1.171 -23.254 1.00 52.42 H new ATOM 0 HB2 GLU A 8 0.800 0.796 -25.317 1.00 52.42 H new ATOM 0 HB3 GLU A 8 2.080 0.816 -24.121 1.00 52.42 H new ATOM 0 HG2 GLU A 8 1.993 -1.717 -24.080 1.00 24.34 H new ATOM 0 HG3 GLU A 8 0.840 -1.653 -25.399 1.00 24.34 H new ATOM 106 N SER A 9 -1.882 -0.465 -24.465 1.00 42.24 N ATOM 107 CA SER A 9 -2.979 -1.351 -24.872 1.00 25.40 C ATOM 108 C SER A 9 -3.561 -0.911 -26.221 1.00 61.11 C ATOM 109 O SER A 9 -3.099 0.056 -26.820 1.00 75.01 O ATOM 110 CB SER A 9 -4.063 -1.404 -23.791 1.00 34.12 C ATOM 111 OG SER A 9 -4.910 -2.533 -23.931 1.00 41.14 O ATOM 0 H SER A 9 -1.921 0.462 -24.889 1.00 42.24 H new ATOM 0 HA SER A 9 -2.579 -2.358 -24.994 1.00 25.40 H new ATOM 0 HB2 SER A 9 -3.592 -1.426 -22.808 1.00 34.12 H new ATOM 0 HB3 SER A 9 -4.663 -0.495 -23.837 1.00 34.12 H new ATOM 0 HG SER A 9 -5.584 -2.526 -23.220 1.00 41.14 H new ATOM 117 N ALA A 10 -4.506 -1.704 -26.713 1.00 34.25 N ATOM 118 CA ALA A 10 -5.026 -1.572 -28.078 1.00 5.13 C ATOM 119 C ALA A 10 -5.666 -0.216 -28.421 1.00 42.32 C ATOM 120 O ALA A 10 -5.516 0.268 -29.540 1.00 74.52 O ATOM 121 CB ALA A 10 -6.018 -2.700 -28.373 1.00 41.43 C ATOM 0 H ALA A 10 -4.937 -2.459 -26.180 1.00 34.25 H new ATOM 0 HA ALA A 10 -4.146 -1.640 -28.717 1.00 5.13 H new ATOM 0 HB1 ALA A 10 -6.399 -2.593 -29.389 1.00 41.43 H new ATOM 0 HB2 ALA A 10 -5.515 -3.662 -28.273 1.00 41.43 H new ATOM 0 HB3 ALA A 10 -6.847 -2.649 -27.668 1.00 41.43 H new ATOM 127 N THR A 11 -6.423 0.357 -27.501 1.00 71.25 N ATOM 128 CA THR A 11 -7.173 1.586 -27.786 1.00 24.54 C ATOM 129 C THR A 11 -6.251 2.820 -27.853 1.00 13.54 C ATOM 130 O THR A 11 -6.389 3.700 -28.689 1.00 10.14 O ATOM 131 CB THR A 11 -8.253 1.844 -26.704 1.00 13.11 C ATOM 132 OG1 THR A 11 -8.903 0.625 -26.391 1.00 11.05 O ATOM 133 CG2 THR A 11 -9.304 2.880 -27.200 1.00 65.14 C ATOM 0 H THR A 11 -6.540 -0.000 -26.553 1.00 71.25 H new ATOM 0 HA THR A 11 -7.645 1.438 -28.757 1.00 24.54 H new ATOM 0 HB THR A 11 -7.765 2.247 -25.817 1.00 13.11 H new ATOM 0 HG1 THR A 11 -9.585 0.785 -25.706 1.00 11.05 H new ATOM 0 HG21 THR A 11 -10.050 3.043 -26.422 1.00 65.14 H new ATOM 0 HG22 THR A 11 -8.806 3.822 -27.428 1.00 65.14 H new ATOM 0 HG23 THR A 11 -9.793 2.501 -28.098 1.00 65.14 H new ATOM 141 N GLU A 12 -5.296 2.846 -26.939 1.00 50.25 N ATOM 142 CA GLU A 12 -4.384 3.965 -26.745 1.00 30.14 C ATOM 143 C GLU A 12 -3.531 4.221 -27.962 1.00 35.10 C ATOM 144 O GLU A 12 -3.330 5.366 -28.364 1.00 41.54 O ATOM 145 CB GLU A 12 -3.497 3.672 -25.545 1.00 31.24 C ATOM 146 CG GLU A 12 -4.208 3.763 -24.184 1.00 22.13 C ATOM 147 CD GLU A 12 -5.175 2.605 -23.851 1.00 25.41 C ATOM 148 OE1 GLU A 12 -5.190 1.572 -24.556 1.00 64.24 O ATOM 149 OE2 GLU A 12 -5.919 2.771 -22.884 1.00 34.41 O ATOM 0 H GLU A 12 -5.128 2.073 -26.295 1.00 50.25 H new ATOM 0 HA GLU A 12 -4.977 4.863 -26.573 1.00 30.14 H new ATOM 0 HB2 GLU A 12 -3.079 2.672 -25.655 1.00 31.24 H new ATOM 0 HB3 GLU A 12 -2.660 4.370 -25.550 1.00 31.24 H new ATOM 0 HG2 GLU A 12 -3.450 3.814 -23.402 1.00 22.13 H new ATOM 0 HG3 GLU A 12 -4.766 4.699 -24.149 1.00 22.13 H new ATOM 156 N LYS A 13 -3.066 3.166 -28.620 1.00 22.42 N ATOM 157 CA LYS A 13 -2.215 3.349 -29.785 1.00 72.41 C ATOM 158 C LYS A 13 -2.943 3.987 -30.971 1.00 61.10 C ATOM 159 O LYS A 13 -2.339 4.689 -31.750 1.00 74.14 O ATOM 160 CB LYS A 13 -1.581 2.010 -30.190 1.00 54.11 C ATOM 161 CG LYS A 13 -2.576 0.887 -30.509 1.00 35.23 C ATOM 162 CD LYS A 13 -1.944 -0.359 -31.103 1.00 4.41 C ATOM 163 CE LYS A 13 -1.454 -0.108 -32.542 1.00 44.50 C ATOM 164 NZ LYS A 13 -1.143 -1.409 -33.238 1.00 55.42 N ATOM 0 H LYS A 13 -3.259 2.195 -28.373 1.00 22.42 H new ATOM 0 HA LYS A 13 -1.432 4.051 -29.498 1.00 72.41 H new ATOM 0 HB2 LYS A 13 -0.950 2.174 -31.064 1.00 54.11 H new ATOM 0 HB3 LYS A 13 -0.928 1.677 -29.384 1.00 54.11 H new ATOM 0 HG2 LYS A 13 -3.101 0.613 -29.594 1.00 35.23 H new ATOM 0 HG3 LYS A 13 -3.324 1.267 -31.204 1.00 35.23 H new ATOM 0 HD2 LYS A 13 -1.106 -0.676 -30.482 1.00 4.41 H new ATOM 0 HD3 LYS A 13 -2.669 -1.173 -31.100 1.00 4.41 H new ATOM 0 HE2 LYS A 13 -2.216 0.435 -33.101 1.00 44.50 H new ATOM 0 HE3 LYS A 13 -0.564 0.521 -32.523 1.00 44.50 H new ATOM 0 HZ1 LYS A 13 -0.815 -1.215 -34.206 1.00 55.42 H new ATOM 0 HZ2 LYS A 13 -0.399 -1.914 -32.715 1.00 55.42 H new ATOM 0 HZ3 LYS A 13 -2.000 -1.997 -33.274 1.00 55.42 H new ATOM 178 N VAL A 14 -4.234 3.715 -31.120 1.00 40.33 N ATOM 179 CA VAL A 14 -5.010 4.271 -32.234 1.00 5.33 C ATOM 180 C VAL A 14 -5.154 5.778 -31.974 1.00 20.02 C ATOM 181 O VAL A 14 -4.937 6.616 -32.856 1.00 50.05 O ATOM 182 CB VAL A 14 -6.425 3.631 -32.319 1.00 74.21 C ATOM 183 CG1 VAL A 14 -7.239 4.312 -33.401 1.00 5.41 C ATOM 184 CG2 VAL A 14 -6.324 2.152 -32.629 1.00 11.45 C ATOM 0 H VAL A 14 -4.768 3.117 -30.490 1.00 40.33 H new ATOM 0 HA VAL A 14 -4.499 4.066 -33.175 1.00 5.33 H new ATOM 0 HB VAL A 14 -6.916 3.760 -31.354 1.00 74.21 H new ATOM 0 HG11 VAL A 14 -8.228 3.857 -33.453 1.00 5.41 H new ATOM 0 HG12 VAL A 14 -7.339 5.372 -33.168 1.00 5.41 H new ATOM 0 HG13 VAL A 14 -6.736 4.197 -34.361 1.00 5.41 H new ATOM 0 HG21 VAL A 14 -7.324 1.723 -32.684 1.00 11.45 H new ATOM 0 HG22 VAL A 14 -5.817 2.014 -33.584 1.00 11.45 H new ATOM 0 HG23 VAL A 14 -5.758 1.653 -31.842 1.00 11.45 H new ATOM 194 N LEU A 15 -5.438 6.116 -30.723 1.00 0.32 N ATOM 195 CA LEU A 15 -5.606 7.493 -30.333 1.00 3.21 C ATOM 196 C LEU A 15 -4.323 8.279 -30.494 1.00 51.32 C ATOM 197 O LEU A 15 -4.343 9.405 -30.983 1.00 5.34 O ATOM 198 CB LEU A 15 -6.095 7.528 -28.901 1.00 42.11 C ATOM 199 CG LEU A 15 -7.517 7.027 -28.633 1.00 3.54 C ATOM 200 CD1 LEU A 15 -7.643 6.695 -27.158 1.00 11.01 C ATOM 201 CD2 LEU A 15 -8.562 8.025 -29.054 1.00 33.24 C ATOM 0 H LEU A 15 -5.556 5.445 -29.964 1.00 0.32 H new ATOM 0 HA LEU A 15 -6.341 7.966 -30.985 1.00 3.21 H new ATOM 0 HB2 LEU A 15 -5.409 6.936 -28.296 1.00 42.11 H new ATOM 0 HB3 LEU A 15 -6.027 8.556 -28.546 1.00 42.11 H new ATOM 0 HG LEU A 15 -7.692 6.134 -29.232 1.00 3.54 H new ATOM 0 HD11 LEU A 15 -8.651 6.336 -26.951 1.00 11.01 H new ATOM 0 HD12 LEU A 15 -6.922 5.921 -26.896 1.00 11.01 H new ATOM 0 HD13 LEU A 15 -7.447 7.589 -26.566 1.00 11.01 H new ATOM 0 HD21 LEU A 15 -9.554 7.624 -28.844 1.00 33.24 H new ATOM 0 HD22 LEU A 15 -8.422 8.954 -28.501 1.00 33.24 H new ATOM 0 HD23 LEU A 15 -8.469 8.221 -30.122 1.00 33.24 H new ATOM 213 N CYS A 16 -3.189 7.668 -30.161 1.00 50.34 N ATOM 214 CA CYS A 16 -1.886 8.305 -30.370 1.00 45.23 C ATOM 215 C CYS A 16 -1.618 8.582 -31.859 1.00 55.30 C ATOM 216 O CYS A 16 -1.163 9.645 -32.212 1.00 33.54 O ATOM 217 CB CYS A 16 -0.757 7.419 -29.825 1.00 23.13 C ATOM 218 SG CYS A 16 -0.602 7.464 -28.015 1.00 65.43 S ATOM 0 H CYS A 16 -3.143 6.737 -29.747 1.00 50.34 H new ATOM 0 HA CYS A 16 -1.909 9.254 -29.833 1.00 45.23 H new ATOM 0 HB2 CYS A 16 -0.930 6.390 -30.140 1.00 23.13 H new ATOM 0 HB3 CYS A 16 0.187 7.734 -30.270 1.00 23.13 H new ATOM 0 HG CYS A 16 0.372 6.687 -27.643 1.00 65.43 H new ATOM 224 N ALA A 17 -1.886 7.637 -32.735 1.00 23.21 N ATOM 225 CA ALA A 17 -1.609 7.838 -34.154 1.00 60.11 C ATOM 226 C ALA A 17 -2.496 8.982 -34.700 1.00 15.44 C ATOM 227 O ALA A 17 -2.040 9.825 -35.467 1.00 21.42 O ATOM 228 CB ALA A 17 -1.866 6.532 -34.937 1.00 72.01 C ATOM 0 H ALA A 17 -2.290 6.730 -32.501 1.00 23.21 H new ATOM 0 HA ALA A 17 -0.562 8.113 -34.280 1.00 60.11 H new ATOM 0 HB1 ALA A 17 -1.656 6.694 -35.994 1.00 72.01 H new ATOM 0 HB2 ALA A 17 -1.216 5.745 -34.555 1.00 72.01 H new ATOM 0 HB3 ALA A 17 -2.907 6.234 -34.816 1.00 72.01 H new ATOM 234 N LEU A 18 -3.737 9.006 -34.288 1.00 52.32 N ATOM 235 CA LEU A 18 -4.695 10.022 -34.722 1.00 5.13 C ATOM 236 C LEU A 18 -4.294 11.399 -34.226 1.00 25.53 C ATOM 237 O LEU A 18 -4.478 12.403 -34.920 1.00 44.52 O ATOM 238 CB LEU A 18 -6.076 9.672 -34.214 1.00 71.11 C ATOM 239 CG LEU A 18 -7.042 9.227 -35.325 1.00 24.13 C ATOM 240 CD1 LEU A 18 -6.473 8.075 -36.197 1.00 62.41 C ATOM 241 CD2 LEU A 18 -8.359 8.801 -34.732 1.00 43.40 C ATOM 0 H LEU A 18 -4.126 8.323 -33.638 1.00 52.32 H new ATOM 0 HA LEU A 18 -4.702 10.043 -35.812 1.00 5.13 H new ATOM 0 HB2 LEU A 18 -5.992 8.875 -33.475 1.00 71.11 H new ATOM 0 HB3 LEU A 18 -6.497 10.538 -33.702 1.00 71.11 H new ATOM 0 HG LEU A 18 -7.183 10.090 -35.976 1.00 24.13 H new ATOM 0 HD11 LEU A 18 -7.200 7.805 -36.963 1.00 62.41 H new ATOM 0 HD12 LEU A 18 -5.549 8.402 -36.673 1.00 62.41 H new ATOM 0 HD13 LEU A 18 -6.270 7.208 -35.568 1.00 62.41 H new ATOM 0 HD21 LEU A 18 -9.033 8.489 -35.530 1.00 43.40 H new ATOM 0 HD22 LEU A 18 -8.197 7.969 -34.047 1.00 43.40 H new ATOM 0 HD23 LEU A 18 -8.801 9.637 -34.190 1.00 43.40 H new ATOM 253 N TYR A 19 -3.672 11.467 -33.065 1.00 4.53 N ATOM 254 CA TYR A 19 -3.140 12.724 -32.567 1.00 40.14 C ATOM 255 C TYR A 19 -2.042 13.199 -33.529 1.00 20.23 C ATOM 256 O TYR A 19 -2.013 14.340 -33.908 1.00 10.14 O ATOM 257 CB TYR A 19 -2.558 12.566 -31.156 1.00 52.42 C ATOM 258 CG TYR A 19 -3.533 12.799 -30.007 1.00 54.32 C ATOM 259 CD1 TYR A 19 -4.824 12.232 -29.991 1.00 65.14 C ATOM 260 CD2 TYR A 19 -3.130 13.561 -28.895 1.00 73.13 C ATOM 261 CE1 TYR A 19 -5.683 12.420 -28.903 1.00 65.04 C ATOM 262 CE2 TYR A 19 -4.008 13.761 -27.787 1.00 64.25 C ATOM 263 CZ TYR A 19 -5.273 13.192 -27.808 1.00 62.14 C ATOM 264 OH TYR A 19 -6.142 13.351 -26.759 1.00 5.22 O ATOM 0 H TYR A 19 -3.522 10.669 -32.448 1.00 4.53 H new ATOM 0 HA TYR A 19 -3.947 13.454 -32.512 1.00 40.14 H new ATOM 0 HB2 TYR A 19 -2.149 11.560 -31.062 1.00 52.42 H new ATOM 0 HB3 TYR A 19 -1.725 13.260 -31.047 1.00 52.42 H new ATOM 0 HD1 TYR A 19 -5.155 11.643 -30.833 1.00 65.14 H new ATOM 0 HD2 TYR A 19 -2.144 14.000 -28.879 1.00 73.13 H new ATOM 0 HE1 TYR A 19 -6.664 11.969 -28.907 1.00 65.04 H new ATOM 0 HE2 TYR A 19 -3.690 14.350 -26.940 1.00 64.25 H new ATOM 0 HH TYR A 19 -5.724 13.909 -26.070 1.00 5.22 H new ATOM 274 N ALA A 20 -1.154 12.297 -33.936 1.00 23.24 N ATOM 275 CA ALA A 20 -0.034 12.675 -34.806 1.00 62.52 C ATOM 276 C ALA A 20 -0.501 13.235 -36.168 1.00 32.44 C ATOM 277 O ALA A 20 0.038 14.204 -36.675 1.00 30.35 O ATOM 278 CB ALA A 20 0.894 11.456 -35.030 1.00 32.34 C ATOM 0 H ALA A 20 -1.183 11.309 -33.684 1.00 23.24 H new ATOM 0 HA ALA A 20 0.510 13.472 -34.300 1.00 62.52 H new ATOM 0 HB1 ALA A 20 1.723 11.744 -35.677 1.00 32.34 H new ATOM 0 HB2 ALA A 20 1.283 11.114 -34.071 1.00 32.34 H new ATOM 0 HB3 ALA A 20 0.330 10.651 -35.500 1.00 32.34 H new ATOM 284 N GLU A 21 -1.517 12.612 -36.742 1.00 62.04 N ATOM 285 CA GLU A 21 -2.049 12.988 -38.058 1.00 73.32 C ATOM 286 C GLU A 21 -2.638 14.391 -38.051 1.00 31.12 C ATOM 287 O GLU A 21 -2.494 15.144 -39.015 1.00 22.33 O ATOM 288 CB GLU A 21 -3.139 12.017 -38.460 1.00 13.31 C ATOM 289 CG GLU A 21 -2.678 10.592 -38.767 1.00 11.21 C ATOM 290 CD GLU A 21 -3.840 9.698 -39.213 1.00 52.20 C ATOM 291 OE1 GLU A 21 -5.021 10.114 -39.107 1.00 4.12 O ATOM 292 OE2 GLU A 21 -3.581 8.586 -39.734 1.00 22.43 O ATOM 0 H GLU A 21 -2.004 11.826 -36.312 1.00 62.04 H new ATOM 0 HA GLU A 21 -1.220 12.961 -38.765 1.00 73.32 H new ATOM 0 HB2 GLU A 21 -3.877 11.976 -37.659 1.00 13.31 H new ATOM 0 HB3 GLU A 21 -3.646 12.413 -39.340 1.00 13.31 H new ATOM 0 HG2 GLU A 21 -1.919 10.617 -39.549 1.00 11.21 H new ATOM 0 HG3 GLU A 21 -2.210 10.163 -37.881 1.00 11.21 H new ATOM 299 N ILE A 22 -3.369 14.718 -36.999 1.00 35.12 N ATOM 300 CA ILE A 22 -4.112 15.990 -36.970 1.00 41.41 C ATOM 301 C ILE A 22 -3.256 17.143 -36.415 1.00 13.41 C ATOM 302 O ILE A 22 -3.384 18.284 -36.867 1.00 3.43 O ATOM 303 CB ILE A 22 -5.419 15.787 -36.129 1.00 44.22 C ATOM 304 CG1 ILE A 22 -6.317 14.773 -36.862 1.00 33.33 C ATOM 305 CG2 ILE A 22 -6.164 17.137 -35.922 1.00 21.21 C ATOM 306 CD1 ILE A 22 -7.602 14.375 -36.130 1.00 5.41 C ATOM 0 H ILE A 22 -3.471 14.141 -36.164 1.00 35.12 H new ATOM 0 HA ILE A 22 -4.375 16.273 -37.989 1.00 41.41 H new ATOM 0 HB ILE A 22 -5.163 15.406 -35.140 1.00 44.22 H new ATOM 0 HG12 ILE A 22 -6.587 15.189 -37.832 1.00 33.33 H new ATOM 0 HG13 ILE A 22 -5.735 13.871 -37.053 1.00 33.33 H new ATOM 0 HG21 ILE A 22 -7.067 16.968 -35.336 1.00 21.21 H new ATOM 0 HG22 ILE A 22 -5.514 17.834 -35.394 1.00 21.21 H new ATOM 0 HG23 ILE A 22 -6.434 17.556 -36.891 1.00 21.21 H new ATOM 0 HD11 ILE A 22 -8.158 13.658 -36.734 1.00 5.41 H new ATOM 0 HD12 ILE A 22 -7.349 13.922 -35.171 1.00 5.41 H new ATOM 0 HD13 ILE A 22 -8.215 15.261 -35.963 1.00 5.41 H new ATOM 318 N LEU A 23 -2.427 16.833 -35.459 1.00 71.11 N ATOM 319 CA LEU A 23 -1.595 17.849 -34.800 1.00 34.25 C ATOM 320 C LEU A 23 -0.334 18.103 -35.607 1.00 63.04 C ATOM 321 O LEU A 23 0.252 19.159 -35.510 1.00 32.40 O ATOM 322 CB LEU A 23 -1.243 17.420 -33.373 1.00 21.44 C ATOM 323 CG LEU A 23 -2.484 17.198 -32.461 1.00 34.10 C ATOM 324 CD1 LEU A 23 -2.142 16.379 -31.222 1.00 10.35 C ATOM 325 CD2 LEU A 23 -3.058 18.537 -32.057 1.00 14.51 C ATOM 0 H LEU A 23 -2.296 15.886 -35.104 1.00 71.11 H new ATOM 0 HA LEU A 23 -2.165 18.777 -34.745 1.00 34.25 H new ATOM 0 HB2 LEU A 23 -0.663 16.498 -33.413 1.00 21.44 H new ATOM 0 HB3 LEU A 23 -0.604 18.179 -32.922 1.00 21.44 H new ATOM 0 HG LEU A 23 -3.223 16.633 -33.029 1.00 34.10 H new ATOM 0 HD11 LEU A 23 -3.037 16.248 -30.614 1.00 10.35 H new ATOM 0 HD12 LEU A 23 -1.763 15.403 -31.524 1.00 10.35 H new ATOM 0 HD13 LEU A 23 -1.381 16.899 -30.640 1.00 10.35 H new ATOM 0 HD21 LEU A 23 -3.927 18.382 -31.418 1.00 14.51 H new ATOM 0 HD22 LEU A 23 -2.305 19.107 -31.513 1.00 14.51 H new ATOM 0 HD23 LEU A 23 -3.356 19.089 -32.948 1.00 14.51 H new ATOM 337 N GLY A 24 0.034 17.163 -36.456 1.00 40.40 N ATOM 338 CA GLY A 24 1.188 17.346 -37.342 1.00 71.23 C ATOM 339 C GLY A 24 2.511 17.170 -36.661 1.00 11.11 C ATOM 340 O GLY A 24 3.496 17.799 -37.077 1.00 52.13 O ATOM 0 H GLY A 24 -0.441 16.266 -36.558 1.00 40.40 H new ATOM 0 HA2 GLY A 24 1.117 16.636 -38.166 1.00 71.23 H new ATOM 0 HA3 GLY A 24 1.145 18.344 -37.777 1.00 71.23 H new ATOM 344 N VAL A 25 2.556 16.307 -35.650 1.00 22.00 N ATOM 345 CA VAL A 25 3.789 16.062 -34.914 1.00 33.42 C ATOM 346 C VAL A 25 4.309 14.670 -35.208 1.00 65.40 C ATOM 347 O VAL A 25 3.542 13.766 -35.563 1.00 54.43 O ATOM 348 CB VAL A 25 3.563 16.238 -33.369 1.00 61.55 C ATOM 349 CG1 VAL A 25 3.174 17.713 -33.072 1.00 51.02 C ATOM 350 CG2 VAL A 25 2.471 15.290 -32.824 1.00 61.22 C ATOM 0 H VAL A 25 1.754 15.768 -35.323 1.00 22.00 H new ATOM 0 HA VAL A 25 4.529 16.793 -35.239 1.00 33.42 H new ATOM 0 HB VAL A 25 4.495 15.982 -32.865 1.00 61.55 H new ATOM 0 HG11 VAL A 25 3.016 17.839 -32.001 1.00 51.02 H new ATOM 0 HG12 VAL A 25 3.976 18.374 -33.401 1.00 51.02 H new ATOM 0 HG13 VAL A 25 2.257 17.962 -33.606 1.00 51.02 H new ATOM 0 HG21 VAL A 25 2.352 15.450 -31.752 1.00 61.22 H new ATOM 0 HG22 VAL A 25 1.527 15.495 -33.328 1.00 61.22 H new ATOM 0 HG23 VAL A 25 2.763 14.256 -33.006 1.00 61.22 H new ATOM 360 N GLU A 26 5.622 14.496 -35.079 1.00 22.43 N ATOM 361 CA GLU A 26 6.286 13.239 -35.439 1.00 25.23 C ATOM 362 C GLU A 26 5.999 12.074 -34.482 1.00 64.34 C ATOM 363 O GLU A 26 5.975 10.908 -34.869 1.00 52.10 O ATOM 364 CB GLU A 26 7.806 13.454 -35.439 1.00 3.43 C ATOM 365 CG GLU A 26 8.305 14.475 -36.460 1.00 65.04 C ATOM 366 CD GLU A 26 9.830 14.497 -36.493 1.00 61.11 C ATOM 367 OE1 GLU A 26 10.445 14.061 -35.484 1.00 54.33 O ATOM 368 OE2 GLU A 26 10.416 14.940 -37.493 1.00 4.51 O ATOM 0 H GLU A 26 6.254 15.214 -34.725 1.00 22.43 H new ATOM 0 HA GLU A 26 5.891 12.971 -36.419 1.00 25.23 H new ATOM 0 HB2 GLU A 26 8.114 13.775 -34.444 1.00 3.43 H new ATOM 0 HB3 GLU A 26 8.295 12.499 -35.632 1.00 3.43 H new ATOM 0 HG2 GLU A 26 7.918 14.228 -37.449 1.00 65.04 H new ATOM 0 HG3 GLU A 26 7.927 15.465 -36.207 1.00 65.04 H new ATOM 375 N ARG A 27 5.796 12.396 -33.209 1.00 63.10 N ATOM 376 CA ARG A 27 5.570 11.389 -32.156 1.00 34.55 C ATOM 377 C ARG A 27 4.516 11.878 -31.208 1.00 55.50 C ATOM 378 O ARG A 27 4.387 13.104 -31.026 1.00 61.53 O ATOM 379 CB ARG A 27 6.862 11.142 -31.361 1.00 62.01 C ATOM 380 CG ARG A 27 7.930 10.414 -32.175 1.00 22.53 C ATOM 381 CD ARG A 27 9.225 10.235 -31.378 1.00 61.40 C ATOM 382 NE ARG A 27 8.993 9.450 -30.132 1.00 44.04 N ATOM 383 CZ ARG A 27 9.936 9.162 -29.237 1.00 71.11 C ATOM 384 NH1 ARG A 27 11.177 9.549 -29.401 1.00 44.10 N ATOM 385 NH2 ARG A 27 9.610 8.489 -28.172 1.00 62.12 N ATOM 0 H ARG A 27 5.782 13.358 -32.870 1.00 63.10 H new ATOM 0 HA ARG A 27 5.252 10.461 -32.632 1.00 34.55 H new ATOM 0 HB2 ARG A 27 7.261 12.097 -31.019 1.00 62.01 H new ATOM 0 HB3 ARG A 27 6.629 10.557 -30.471 1.00 62.01 H new ATOM 0 HG2 ARG A 27 7.553 9.438 -32.480 1.00 22.53 H new ATOM 0 HG3 ARG A 27 8.138 10.975 -33.086 1.00 22.53 H new ATOM 0 HD2 ARG A 27 9.967 9.729 -31.996 1.00 61.40 H new ATOM 0 HD3 ARG A 27 9.635 11.212 -31.123 1.00 61.40 H new ATOM 0 HE ARG A 27 8.048 9.111 -29.953 1.00 44.04 H new ATOM 0 HH11 ARG A 27 11.439 10.084 -30.229 1.00 44.10 H new ATOM 0 HH12 ARG A 27 11.881 9.316 -28.701 1.00 44.10 H new ATOM 0 HH21 ARG A 27 8.645 8.191 -28.033 1.00 62.12 H new ATOM 0 HH22 ARG A 27 10.320 8.260 -27.476 1.00 62.12 H new ATOM 399 N VAL A 28 3.843 10.943 -30.560 1.00 40.54 N ATOM 400 CA VAL A 28 2.856 11.263 -29.552 1.00 54.44 C ATOM 401 C VAL A 28 3.066 10.373 -28.314 1.00 4.44 C ATOM 402 O VAL A 28 3.091 9.133 -28.422 1.00 15.33 O ATOM 403 CB VAL A 28 1.411 11.021 -30.104 1.00 43.30 C ATOM 404 CG1 VAL A 28 0.342 11.401 -29.064 1.00 33.31 C ATOM 405 CG2 VAL A 28 1.199 11.816 -31.366 1.00 53.21 C ATOM 0 H VAL A 28 3.967 9.943 -30.720 1.00 40.54 H new ATOM 0 HA VAL A 28 2.971 12.313 -29.282 1.00 54.44 H new ATOM 0 HB VAL A 28 1.311 9.958 -30.322 1.00 43.30 H new ATOM 0 HG11 VAL A 28 -0.650 11.221 -29.479 1.00 33.31 H new ATOM 0 HG12 VAL A 28 0.475 10.796 -28.167 1.00 33.31 H new ATOM 0 HG13 VAL A 28 0.442 12.456 -28.808 1.00 33.31 H new ATOM 0 HG21 VAL A 28 0.191 11.640 -31.742 1.00 53.21 H new ATOM 0 HG22 VAL A 28 1.327 12.877 -31.153 1.00 53.21 H new ATOM 0 HG23 VAL A 28 1.925 11.506 -32.117 1.00 53.21 H new ATOM 415 N GLY A 29 3.192 11.010 -27.146 1.00 42.45 N ATOM 416 CA GLY A 29 3.282 10.285 -25.896 1.00 50.02 C ATOM 417 C GLY A 29 1.893 9.945 -25.376 1.00 75.24 C ATOM 418 O GLY A 29 0.900 10.571 -25.733 1.00 62.31 O ATOM 0 H GLY A 29 3.233 12.025 -27.050 1.00 42.45 H new ATOM 0 HA2 GLY A 29 3.857 9.370 -26.040 1.00 50.02 H new ATOM 0 HA3 GLY A 29 3.816 10.884 -25.159 1.00 50.02 H new ATOM 422 N VAL A 30 1.801 8.948 -24.515 1.00 10.13 N ATOM 423 CA VAL A 30 0.484 8.543 -23.966 1.00 23.40 C ATOM 424 C VAL A 30 -0.132 9.636 -23.090 1.00 43.41 C ATOM 425 O VAL A 30 -1.306 9.565 -22.726 1.00 62.25 O ATOM 426 CB VAL A 30 0.583 7.219 -23.161 1.00 64.21 C ATOM 427 CG1 VAL A 30 0.826 6.042 -24.119 1.00 60.54 C ATOM 428 CG2 VAL A 30 1.739 7.290 -22.130 1.00 41.05 C ATOM 0 H VAL A 30 2.594 8.403 -24.176 1.00 10.13 H new ATOM 0 HA VAL A 30 -0.169 8.383 -24.824 1.00 23.40 H new ATOM 0 HB VAL A 30 -0.356 7.071 -22.628 1.00 64.21 H new ATOM 0 HG11 VAL A 30 0.894 5.116 -23.548 1.00 60.54 H new ATOM 0 HG12 VAL A 30 -0.001 5.972 -24.826 1.00 60.54 H new ATOM 0 HG13 VAL A 30 1.757 6.202 -24.663 1.00 60.54 H new ATOM 0 HG21 VAL A 30 1.791 6.352 -21.577 1.00 41.05 H new ATOM 0 HG22 VAL A 30 2.682 7.457 -22.651 1.00 41.05 H new ATOM 0 HG23 VAL A 30 1.558 8.111 -21.436 1.00 41.05 H new ATOM 438 N ASP A 31 0.673 10.614 -22.713 1.00 42.12 N ATOM 439 CA ASP A 31 0.248 11.666 -21.797 1.00 73.00 C ATOM 440 C ASP A 31 0.330 13.029 -22.445 1.00 22.11 C ATOM 441 O ASP A 31 0.261 14.040 -21.773 1.00 51.42 O ATOM 442 CB ASP A 31 1.127 11.621 -20.547 1.00 70.51 C ATOM 443 CG ASP A 31 2.640 11.827 -20.860 1.00 71.21 C ATOM 444 OD1 ASP A 31 3.177 11.171 -21.796 1.00 53.32 O ATOM 445 OD2 ASP A 31 3.297 12.498 -20.055 1.00 74.31 O ATOM 0 H ASP A 31 1.638 10.704 -23.031 1.00 42.12 H new ATOM 0 HA ASP A 31 -0.794 11.495 -21.526 1.00 73.00 H new ATOM 0 HB2 ASP A 31 0.798 12.391 -19.850 1.00 70.51 H new ATOM 0 HB3 ASP A 31 0.992 10.661 -20.049 1.00 70.51 H new ATOM 450 N ASP A 32 0.454 13.046 -23.772 1.00 4.04 N ATOM 451 CA ASP A 32 0.619 14.324 -24.464 1.00 25.54 C ATOM 452 C ASP A 32 -0.688 15.081 -24.498 1.00 33.30 C ATOM 453 O ASP A 32 -1.725 14.545 -24.915 1.00 63.13 O ATOM 454 CB ASP A 32 1.082 14.107 -25.901 1.00 4.04 C ATOM 455 CG ASP A 32 2.579 14.256 -26.061 1.00 5.41 C ATOM 456 OD1 ASP A 32 3.230 14.838 -25.173 1.00 4.02 O ATOM 457 OD2 ASP A 32 3.117 13.765 -27.084 1.00 20.43 O ATOM 0 H ASP A 32 0.444 12.221 -24.372 1.00 4.04 H new ATOM 0 HA ASP A 32 1.369 14.896 -23.918 1.00 25.54 H new ATOM 0 HB2 ASP A 32 0.783 13.111 -26.228 1.00 4.04 H new ATOM 0 HB3 ASP A 32 0.578 14.821 -26.552 1.00 4.04 H new ATOM 462 N ALA A 33 -0.669 16.324 -24.040 1.00 3.42 N ATOM 463 CA ALA A 33 -1.888 17.100 -24.022 1.00 54.25 C ATOM 464 C ALA A 33 -2.151 17.612 -25.423 1.00 4.34 C ATOM 465 O ALA A 33 -1.304 18.255 -26.039 1.00 52.30 O ATOM 466 CB ALA A 33 -1.769 18.237 -23.054 1.00 62.52 C ATOM 0 H ALA A 33 0.158 16.803 -23.685 1.00 3.42 H new ATOM 0 HA ALA A 33 -2.722 16.477 -23.698 1.00 54.25 H new ATOM 0 HB1 ALA A 33 -2.695 18.812 -23.052 1.00 62.52 H new ATOM 0 HB2 ALA A 33 -1.583 17.845 -22.054 1.00 62.52 H new ATOM 0 HB3 ALA A 33 -0.942 18.882 -23.351 1.00 62.52 H new ATOM 472 N PHE A 34 -3.352 17.368 -25.906 1.00 1.42 N ATOM 473 CA PHE A 34 -3.748 17.729 -27.267 1.00 54.50 C ATOM 474 C PHE A 34 -3.465 19.198 -27.587 1.00 71.22 C ATOM 475 O PHE A 34 -2.991 19.527 -28.661 1.00 50.13 O ATOM 476 CB PHE A 34 -5.243 17.412 -27.417 1.00 73.51 C ATOM 477 CG PHE A 34 -5.772 17.551 -28.828 1.00 51.22 C ATOM 478 CD1 PHE A 34 -5.585 16.526 -29.759 1.00 15.52 C ATOM 479 CD2 PHE A 34 -6.472 18.707 -29.206 1.00 15.21 C ATOM 480 CE1 PHE A 34 -6.092 16.633 -31.078 1.00 24.23 C ATOM 481 CE2 PHE A 34 -6.996 18.833 -30.512 1.00 72.14 C ATOM 482 CZ PHE A 34 -6.792 17.797 -31.456 1.00 22.22 C ATOM 0 H PHE A 34 -4.090 16.912 -25.369 1.00 1.42 H new ATOM 0 HA PHE A 34 -3.158 17.151 -27.978 1.00 54.50 H new ATOM 0 HB2 PHE A 34 -5.422 16.393 -27.073 1.00 73.51 H new ATOM 0 HB3 PHE A 34 -5.810 18.074 -26.762 1.00 73.51 H new ATOM 0 HD1 PHE A 34 -5.045 15.637 -29.468 1.00 15.52 H new ATOM 0 HD2 PHE A 34 -6.611 19.506 -28.493 1.00 15.21 H new ATOM 0 HE1 PHE A 34 -5.944 15.831 -31.786 1.00 24.23 H new ATOM 0 HE2 PHE A 34 -7.551 19.717 -30.790 1.00 72.14 H new ATOM 0 HZ PHE A 34 -7.171 17.898 -32.462 1.00 22.22 H new ATOM 492 N HIS A 35 -3.691 20.069 -26.619 1.00 12.41 N ATOM 493 CA HIS A 35 -3.483 21.513 -26.809 1.00 21.12 C ATOM 494 C HIS A 35 -2.016 21.998 -26.739 1.00 2.13 C ATOM 495 O HIS A 35 -1.724 23.096 -27.161 1.00 65.42 O ATOM 496 CB HIS A 35 -4.332 22.300 -25.786 1.00 61.33 C ATOM 497 CG HIS A 35 -3.932 22.046 -24.358 1.00 72.33 C ATOM 498 ND1 HIS A 35 -4.789 21.546 -23.369 1.00 11.23 N ATOM 499 CD2 HIS A 35 -2.747 22.237 -23.737 1.00 1.15 C ATOM 500 CE1 HIS A 35 -4.093 21.408 -22.240 1.00 75.04 C ATOM 501 NE2 HIS A 35 -2.866 21.817 -22.442 1.00 71.34 N ATOM 0 H HIS A 35 -4.019 19.811 -25.688 1.00 12.41 H new ATOM 0 HA HIS A 35 -3.799 21.707 -27.834 1.00 21.12 H new ATOM 0 HB2 HIS A 35 -4.245 23.366 -25.996 1.00 61.33 H new ATOM 0 HB3 HIS A 35 -5.381 22.034 -25.915 1.00 61.33 H new ATOM 0 HD2 HIS A 35 -1.857 22.651 -24.188 1.00 1.15 H new ATOM 0 HE1 HIS A 35 -4.479 21.021 -21.309 1.00 75.04 H new ATOM 0 HE2 HIS A 35 -2.120 21.821 -21.746 1.00 71.34 H new ATOM 509 N ASP A 36 -1.108 21.184 -26.207 1.00 2.05 N ATOM 510 CA ASP A 36 0.321 21.584 -26.094 1.00 63.14 C ATOM 511 C ASP A 36 0.950 21.374 -27.458 1.00 52.43 C ATOM 512 O ASP A 36 1.825 22.118 -27.889 1.00 52.41 O ATOM 513 CB ASP A 36 1.099 20.746 -25.056 1.00 52.53 C ATOM 514 CG ASP A 36 0.676 21.030 -23.602 1.00 34.25 C ATOM 515 OD1 ASP A 36 0.051 22.082 -23.355 1.00 61.43 O ATOM 516 OD2 ASP A 36 0.906 20.164 -22.728 1.00 50.40 O ATOM 0 H ASP A 36 -1.317 20.253 -25.847 1.00 2.05 H new ATOM 0 HA ASP A 36 0.367 22.621 -25.763 1.00 63.14 H new ATOM 0 HB2 ASP A 36 0.951 19.687 -25.270 1.00 52.53 H new ATOM 0 HB3 ASP A 36 2.165 20.947 -25.163 1.00 52.53 H new ATOM 521 N LEU A 37 0.425 20.373 -28.141 1.00 20.24 N ATOM 522 CA LEU A 37 0.865 19.976 -29.482 1.00 0.23 C ATOM 523 C LEU A 37 0.165 20.824 -30.573 1.00 71.44 C ATOM 524 O LEU A 37 0.046 20.375 -31.726 1.00 74.43 O ATOM 525 CB LEU A 37 0.612 18.460 -29.671 1.00 71.10 C ATOM 526 CG LEU A 37 1.608 17.425 -29.109 1.00 4.41 C ATOM 527 CD1 LEU A 37 1.923 17.600 -27.619 1.00 13.40 C ATOM 528 CD2 LEU A 37 1.035 16.013 -29.353 1.00 14.45 C ATOM 0 H LEU A 37 -0.335 19.797 -27.779 1.00 20.24 H new ATOM 0 HA LEU A 37 1.934 20.164 -29.585 1.00 0.23 H new ATOM 0 HB2 LEU A 37 -0.362 18.239 -29.234 1.00 71.10 H new ATOM 0 HB3 LEU A 37 0.530 18.279 -30.743 1.00 71.10 H new ATOM 0 HG LEU A 37 2.552 17.576 -29.632 1.00 4.41 H new ATOM 0 HD11 LEU A 37 2.630 16.833 -27.304 1.00 13.40 H new ATOM 0 HD12 LEU A 37 2.358 18.585 -27.452 1.00 13.40 H new ATOM 0 HD13 LEU A 37 1.005 17.507 -27.040 1.00 13.40 H new ATOM 0 HD21 LEU A 37 1.727 15.267 -28.962 1.00 14.45 H new ATOM 0 HD22 LEU A 37 0.074 15.918 -28.847 1.00 14.45 H new ATOM 0 HD23 LEU A 37 0.899 15.856 -30.423 1.00 14.45 H new ATOM 540 N GLY A 38 -0.340 21.992 -30.205 1.00 52.02 N ATOM 541 CA GLY A 38 -0.989 22.881 -31.162 1.00 75.15 C ATOM 542 C GLY A 38 -2.479 22.666 -31.335 1.00 41.31 C ATOM 543 O GLY A 38 -3.129 23.325 -32.145 1.00 34.32 O ATOM 0 H GLY A 38 -0.314 22.348 -29.250 1.00 52.02 H new ATOM 0 HA2 GLY A 38 -0.821 23.911 -30.848 1.00 75.15 H new ATOM 0 HA3 GLY A 38 -0.506 22.760 -32.131 1.00 75.15 H new ATOM 547 N GLY A 39 -3.045 21.768 -30.554 1.00 45.45 N ATOM 548 CA GLY A 39 -4.472 21.501 -30.635 1.00 3.41 C ATOM 549 C GLY A 39 -5.366 22.615 -30.118 1.00 14.44 C ATOM 550 O GLY A 39 -4.968 23.492 -29.320 1.00 35.12 O ATOM 0 H GLY A 39 -2.545 21.213 -29.860 1.00 45.45 H new ATOM 0 HA2 GLY A 39 -4.730 21.302 -31.675 1.00 3.41 H new ATOM 0 HA3 GLY A 39 -4.688 20.592 -30.073 1.00 3.41 H new ATOM 554 N SER A 40 -6.591 22.599 -30.607 1.00 41.53 N ATOM 555 CA SER A 40 -7.577 23.622 -30.291 1.00 45.01 C ATOM 556 C SER A 40 -8.935 22.953 -30.168 1.00 23.24 C ATOM 557 O SER A 40 -9.078 21.791 -30.486 1.00 52.35 O ATOM 558 CB SER A 40 -7.604 24.639 -31.419 1.00 31.34 C ATOM 559 OG SER A 40 -7.915 23.994 -32.639 1.00 63.55 O ATOM 0 H SER A 40 -6.935 21.874 -31.237 1.00 41.53 H new ATOM 0 HA SER A 40 -7.328 24.126 -29.357 1.00 45.01 H new ATOM 0 HB2 SER A 40 -8.343 25.411 -31.207 1.00 31.34 H new ATOM 0 HB3 SER A 40 -6.637 25.136 -31.496 1.00 31.34 H new ATOM 0 HG SER A 40 -7.933 24.654 -33.363 1.00 63.55 H new ATOM 565 N SER A 41 -9.946 23.705 -29.781 1.00 14.31 N ATOM 566 CA SER A 41 -11.316 23.180 -29.747 1.00 11.25 C ATOM 567 C SER A 41 -11.817 22.841 -31.153 1.00 2.05 C ATOM 568 O SER A 41 -12.604 21.920 -31.329 1.00 51.13 O ATOM 569 CB SER A 41 -12.212 24.245 -29.115 1.00 4.30 C ATOM 570 OG SER A 41 -12.095 25.449 -29.878 1.00 64.52 O ATOM 0 H SER A 41 -9.856 24.677 -29.485 1.00 14.31 H new ATOM 0 HA SER A 41 -11.338 22.260 -29.163 1.00 11.25 H new ATOM 0 HB2 SER A 41 -13.248 23.907 -29.098 1.00 4.30 H new ATOM 0 HB3 SER A 41 -11.918 24.422 -28.081 1.00 4.30 H new ATOM 0 HG SER A 41 -12.666 26.142 -29.485 1.00 64.52 H new ATOM 576 N ALA A 42 -11.316 23.549 -32.159 1.00 40.21 N ATOM 577 CA ALA A 42 -11.674 23.294 -33.555 1.00 14.43 C ATOM 578 C ALA A 42 -11.035 21.985 -34.021 1.00 44.44 C ATOM 579 O ALA A 42 -11.656 21.189 -34.706 1.00 62.44 O ATOM 580 CB ALA A 42 -11.223 24.462 -34.435 1.00 33.23 C ATOM 0 H ALA A 42 -10.653 24.314 -32.034 1.00 40.21 H new ATOM 0 HA ALA A 42 -12.757 23.202 -33.639 1.00 14.43 H new ATOM 0 HB1 ALA A 42 -11.494 24.262 -35.472 1.00 33.23 H new ATOM 0 HB2 ALA A 42 -11.711 25.378 -34.102 1.00 33.23 H new ATOM 0 HB3 ALA A 42 -10.142 24.579 -34.359 1.00 33.23 H new ATOM 586 N LEU A 43 -9.789 21.738 -33.619 1.00 21.30 N ATOM 587 CA LEU A 43 -9.115 20.518 -34.012 1.00 43.33 C ATOM 588 C LEU A 43 -9.665 19.331 -33.214 1.00 41.33 C ATOM 589 O LEU A 43 -9.668 18.204 -33.694 1.00 60.51 O ATOM 590 CB LEU A 43 -7.609 20.620 -33.823 1.00 72.22 C ATOM 591 CG LEU A 43 -6.870 21.554 -34.817 1.00 53.02 C ATOM 592 CD1 LEU A 43 -5.414 21.711 -34.417 1.00 23.15 C ATOM 593 CD2 LEU A 43 -6.999 20.987 -36.247 1.00 30.44 C ATOM 0 H LEU A 43 -9.238 22.362 -33.029 1.00 21.30 H new ATOM 0 HA LEU A 43 -9.307 20.362 -35.074 1.00 43.33 H new ATOM 0 HB2 LEU A 43 -7.411 20.968 -32.809 1.00 72.22 H new ATOM 0 HB3 LEU A 43 -7.182 19.621 -33.906 1.00 72.22 H new ATOM 0 HG LEU A 43 -7.326 22.544 -34.792 1.00 53.02 H new ATOM 0 HD11 LEU A 43 -4.911 22.369 -35.125 1.00 23.15 H new ATOM 0 HD12 LEU A 43 -5.356 22.141 -33.417 1.00 23.15 H new ATOM 0 HD13 LEU A 43 -4.928 20.735 -34.421 1.00 23.15 H new ATOM 0 HD21 LEU A 43 -6.480 21.642 -36.946 1.00 30.44 H new ATOM 0 HD22 LEU A 43 -6.556 19.992 -36.285 1.00 30.44 H new ATOM 0 HD23 LEU A 43 -8.052 20.926 -36.520 1.00 30.44 H new ATOM 605 N ALA A 44 -10.217 19.579 -32.042 1.00 60.45 N ATOM 606 CA ALA A 44 -10.839 18.517 -31.277 1.00 0.32 C ATOM 607 C ALA A 44 -12.055 17.981 -32.034 1.00 61.44 C ATOM 608 O ALA A 44 -12.373 16.823 -31.973 1.00 21.42 O ATOM 609 CB ALA A 44 -11.251 19.059 -29.912 1.00 72.32 C ATOM 0 H ALA A 44 -10.247 20.499 -31.602 1.00 60.45 H new ATOM 0 HA ALA A 44 -10.133 17.698 -31.135 1.00 0.32 H new ATOM 0 HB1 ALA A 44 -11.720 18.264 -29.331 1.00 72.32 H new ATOM 0 HB2 ALA A 44 -10.370 19.423 -29.384 1.00 72.32 H new ATOM 0 HB3 ALA A 44 -11.958 19.878 -30.044 1.00 72.32 H new ATOM 615 N MET A 45 -12.718 18.837 -32.805 1.00 13.31 N ATOM 616 CA MET A 45 -13.876 18.400 -33.584 1.00 43.03 C ATOM 617 C MET A 45 -13.432 17.458 -34.699 1.00 40.15 C ATOM 618 O MET A 45 -14.143 16.535 -35.059 1.00 14.03 O ATOM 619 CB MET A 45 -14.607 19.605 -34.219 1.00 32.24 C ATOM 620 CG MET A 45 -15.133 20.599 -33.197 1.00 64.14 C ATOM 621 SD MET A 45 -15.899 22.022 -34.035 1.00 35.34 S ATOM 622 CE MET A 45 -16.052 23.169 -32.665 1.00 12.32 C ATOM 0 H MET A 45 -12.480 19.823 -32.908 1.00 13.31 H new ATOM 0 HA MET A 45 -14.556 17.886 -32.905 1.00 43.03 H new ATOM 0 HB2 MET A 45 -13.925 20.118 -34.896 1.00 32.24 H new ATOM 0 HB3 MET A 45 -15.439 19.240 -34.821 1.00 32.24 H new ATOM 0 HG2 MET A 45 -15.863 20.113 -32.550 1.00 64.14 H new ATOM 0 HG3 MET A 45 -14.318 20.940 -32.558 1.00 64.14 H new ATOM 0 HE1 MET A 45 -16.506 24.096 -33.015 1.00 12.32 H new ATOM 0 HE2 MET A 45 -16.678 22.728 -31.890 1.00 12.32 H new ATOM 0 HE3 MET A 45 -15.064 23.381 -32.256 1.00 12.32 H new ATOM 632 N ARG A 46 -12.245 17.693 -35.252 1.00 32.40 N ATOM 633 CA ARG A 46 -11.686 16.860 -36.314 1.00 12.51 C ATOM 634 C ARG A 46 -11.295 15.505 -35.710 1.00 62.05 C ATOM 635 O ARG A 46 -11.568 14.449 -36.303 1.00 33.22 O ATOM 636 CB ARG A 46 -10.408 17.472 -36.923 1.00 54.34 C ATOM 637 CG ARG A 46 -10.476 18.936 -37.284 1.00 22.24 C ATOM 638 CD ARG A 46 -11.663 19.275 -38.252 1.00 50.41 C ATOM 639 NE ARG A 46 -11.493 20.589 -38.841 1.00 34.35 N ATOM 640 CZ ARG A 46 -12.420 21.205 -39.587 1.00 73.33 C ATOM 641 NH1 ARG A 46 -13.589 20.655 -39.890 1.00 61.01 N ATOM 642 NH2 ARG A 46 -12.209 22.417 -40.015 1.00 40.41 N ATOM 0 H ARG A 46 -11.642 18.468 -34.976 1.00 32.40 H new ATOM 0 HA ARG A 46 -12.441 16.770 -37.095 1.00 12.51 H new ATOM 0 HB2 ARG A 46 -9.590 17.331 -36.216 1.00 54.34 H new ATOM 0 HB3 ARG A 46 -10.153 16.909 -37.821 1.00 54.34 H new ATOM 0 HG2 ARG A 46 -10.579 19.525 -36.372 1.00 22.24 H new ATOM 0 HG3 ARG A 46 -9.537 19.233 -37.751 1.00 22.24 H new ATOM 0 HD2 ARG A 46 -11.721 18.524 -39.040 1.00 50.41 H new ATOM 0 HD3 ARG A 46 -12.605 19.236 -37.705 1.00 50.41 H new ATOM 0 HE ARG A 46 -10.612 21.075 -38.677 1.00 34.35 H new ATOM 0 HH11 ARG A 46 -13.816 19.720 -39.551 1.00 61.01 H new ATOM 0 HH12 ARG A 46 -14.261 21.167 -40.462 1.00 61.01 H new ATOM 0 HH21 ARG A 46 -11.339 22.896 -39.782 1.00 40.41 H new ATOM 0 HH22 ARG A 46 -12.914 22.887 -40.583 1.00 40.41 H new ATOM 656 N LEU A 47 -10.713 15.561 -34.495 1.00 51.42 N ATOM 657 CA LEU A 47 -10.301 14.370 -33.773 1.00 62.52 C ATOM 658 C LEU A 47 -11.493 13.477 -33.501 1.00 42.13 C ATOM 659 O LEU A 47 -11.444 12.282 -33.765 1.00 44.23 O ATOM 660 CB LEU A 47 -9.640 14.749 -32.452 1.00 2.35 C ATOM 661 CG LEU A 47 -9.137 13.566 -31.611 1.00 60.14 C ATOM 662 CD1 LEU A 47 -8.011 12.781 -32.305 1.00 63.12 C ATOM 663 CD2 LEU A 47 -8.651 14.008 -30.233 1.00 5.24 C ATOM 0 H LEU A 47 -10.522 16.433 -34.001 1.00 51.42 H new ATOM 0 HA LEU A 47 -9.583 13.831 -34.391 1.00 62.52 H new ATOM 0 HB2 LEU A 47 -8.799 15.410 -32.661 1.00 2.35 H new ATOM 0 HB3 LEU A 47 -10.353 15.320 -31.857 1.00 2.35 H new ATOM 0 HG LEU A 47 -10.000 12.910 -31.496 1.00 60.14 H new ATOM 0 HD11 LEU A 47 -7.694 11.957 -31.666 1.00 63.12 H new ATOM 0 HD12 LEU A 47 -8.374 12.386 -33.254 1.00 63.12 H new ATOM 0 HD13 LEU A 47 -7.165 13.444 -32.488 1.00 63.12 H new ATOM 0 HD21 LEU A 47 -8.305 13.139 -29.673 1.00 5.24 H new ATOM 0 HD22 LEU A 47 -7.831 14.717 -30.347 1.00 5.24 H new ATOM 0 HD23 LEU A 47 -9.470 14.484 -29.694 1.00 5.24 H new ATOM 675 N ILE A 48 -12.578 14.046 -32.951 1.00 43.21 N ATOM 676 CA ILE A 48 -13.754 13.263 -32.594 1.00 60.13 C ATOM 677 C ILE A 48 -14.333 12.603 -33.845 1.00 71.11 C ATOM 678 O ILE A 48 -14.737 11.459 -33.811 1.00 22.54 O ATOM 679 CB ILE A 48 -14.824 14.163 -31.905 1.00 34.34 C ATOM 680 CG1 ILE A 48 -14.326 14.601 -30.505 1.00 51.24 C ATOM 681 CG2 ILE A 48 -16.186 13.415 -31.754 1.00 2.33 C ATOM 682 CD1 ILE A 48 -14.970 15.889 -30.022 1.00 11.45 C ATOM 0 H ILE A 48 -12.657 15.042 -32.748 1.00 43.21 H new ATOM 0 HA ILE A 48 -13.460 12.487 -31.887 1.00 60.13 H new ATOM 0 HB ILE A 48 -14.977 15.038 -32.537 1.00 34.34 H new ATOM 0 HG12 ILE A 48 -14.532 13.807 -29.787 1.00 51.24 H new ATOM 0 HG13 ILE A 48 -13.244 14.731 -30.535 1.00 51.24 H new ATOM 0 HG21 ILE A 48 -16.910 14.071 -31.270 1.00 2.33 H new ATOM 0 HG22 ILE A 48 -16.556 13.131 -32.739 1.00 2.33 H new ATOM 0 HG23 ILE A 48 -16.045 12.520 -31.147 1.00 2.33 H new ATOM 0 HD11 ILE A 48 -14.580 16.143 -29.036 1.00 11.45 H new ATOM 0 HD12 ILE A 48 -14.742 16.694 -30.721 1.00 11.45 H new ATOM 0 HD13 ILE A 48 -16.050 15.755 -29.962 1.00 11.45 H new ATOM 694 N ALA A 49 -14.357 13.331 -34.952 1.00 73.54 N ATOM 695 CA ALA A 49 -14.873 12.795 -36.212 1.00 53.32 C ATOM 696 C ALA A 49 -14.011 11.636 -36.715 1.00 1.35 C ATOM 697 O ALA A 49 -14.537 10.633 -37.159 1.00 30.51 O ATOM 698 CB ALA A 49 -14.994 13.894 -37.277 1.00 30.13 C ATOM 0 H ALA A 49 -14.026 14.294 -35.008 1.00 73.54 H new ATOM 0 HA ALA A 49 -15.873 12.407 -36.019 1.00 53.32 H new ATOM 0 HB1 ALA A 49 -15.380 13.464 -38.201 1.00 30.13 H new ATOM 0 HB2 ALA A 49 -15.675 14.669 -36.925 1.00 30.13 H new ATOM 0 HB3 ALA A 49 -14.013 14.331 -37.462 1.00 30.13 H new ATOM 704 N ARG A 50 -12.698 11.755 -36.607 1.00 32.22 N ATOM 705 CA ARG A 50 -11.787 10.676 -37.069 1.00 44.43 C ATOM 706 C ARG A 50 -11.938 9.424 -36.224 1.00 23.43 C ATOM 707 O ARG A 50 -11.734 8.343 -36.675 1.00 11.11 O ATOM 708 CB ARG A 50 -10.322 11.169 -36.994 1.00 51.43 C ATOM 709 CG ARG A 50 -9.410 10.672 -38.131 1.00 10.22 C ATOM 710 CD ARG A 50 -9.874 11.223 -39.532 1.00 72.21 C ATOM 711 NE ARG A 50 -8.868 10.912 -40.567 1.00 23.12 N ATOM 712 CZ ARG A 50 -8.995 11.129 -41.862 1.00 5.32 C ATOM 713 NH1 ARG A 50 -10.061 11.688 -42.365 1.00 4.35 N ATOM 714 NH2 ARG A 50 -8.024 10.778 -42.663 1.00 20.42 N ATOM 0 H ARG A 50 -12.227 12.569 -36.212 1.00 32.22 H new ATOM 0 HA ARG A 50 -12.050 10.429 -38.098 1.00 44.43 H new ATOM 0 HB2 ARG A 50 -10.320 12.259 -36.997 1.00 51.43 H new ATOM 0 HB3 ARG A 50 -9.896 10.852 -36.042 1.00 51.43 H new ATOM 0 HG2 ARG A 50 -8.384 10.985 -37.938 1.00 10.22 H new ATOM 0 HG3 ARG A 50 -9.412 9.582 -38.150 1.00 10.22 H new ATOM 0 HD2 ARG A 50 -10.833 10.782 -39.804 1.00 72.21 H new ATOM 0 HD3 ARG A 50 -10.024 12.301 -39.474 1.00 72.21 H new ATOM 0 HE ARG A 50 -7.994 10.491 -40.252 1.00 23.12 H new ATOM 0 HH11 ARG A 50 -10.826 11.971 -41.752 1.00 4.35 H new ATOM 0 HH12 ARG A 50 -10.129 11.842 -43.371 1.00 4.35 H new ATOM 0 HH21 ARG A 50 -7.183 10.343 -42.284 1.00 20.42 H new ATOM 0 HH22 ARG A 50 -8.107 10.939 -43.667 1.00 20.42 H new ATOM 728 N ILE A 51 -12.230 9.621 -34.944 1.00 34.04 N ATOM 729 CA ILE A 51 -12.303 8.544 -34.053 1.00 32.11 C ATOM 730 C ILE A 51 -13.479 7.619 -34.445 1.00 1.33 C ATOM 731 O ILE A 51 -13.416 6.421 -34.252 1.00 73.41 O ATOM 732 CB ILE A 51 -12.410 9.003 -32.547 1.00 24.24 C ATOM 733 CG1 ILE A 51 -11.009 9.483 -32.046 1.00 22.24 C ATOM 734 CG2 ILE A 51 -12.931 7.864 -31.633 1.00 33.20 C ATOM 735 CD1 ILE A 51 -11.013 10.235 -30.727 1.00 75.01 C ATOM 0 H ILE A 51 -12.416 10.534 -34.529 1.00 34.04 H new ATOM 0 HA ILE A 51 -11.369 7.988 -34.130 1.00 32.11 H new ATOM 0 HB ILE A 51 -13.127 9.823 -32.496 1.00 24.24 H new ATOM 0 HG12 ILE A 51 -10.359 8.613 -31.947 1.00 22.24 H new ATOM 0 HG13 ILE A 51 -10.569 10.124 -32.809 1.00 22.24 H new ATOM 0 HG21 ILE A 51 -12.990 8.221 -30.605 1.00 33.20 H new ATOM 0 HG22 ILE A 51 -13.921 7.554 -31.967 1.00 33.20 H new ATOM 0 HG23 ILE A 51 -12.249 7.016 -31.684 1.00 33.20 H new ATOM 0 HD11 ILE A 51 -9.994 10.523 -30.469 1.00 75.01 H new ATOM 0 HD12 ILE A 51 -11.630 11.129 -30.819 1.00 75.01 H new ATOM 0 HD13 ILE A 51 -11.418 9.594 -29.944 1.00 75.01 H new ATOM 747 N ARG A 52 -14.477 8.205 -35.105 1.00 73.24 N ATOM 748 CA ARG A 52 -15.628 7.403 -35.559 1.00 23.11 C ATOM 749 C ARG A 52 -15.232 6.440 -36.636 1.00 64.41 C ATOM 750 O ARG A 52 -15.809 5.393 -36.785 1.00 15.54 O ATOM 751 CB ARG A 52 -16.714 8.290 -36.160 1.00 51.15 C ATOM 752 CG ARG A 52 -17.354 9.264 -35.228 1.00 73.32 C ATOM 753 CD ARG A 52 -18.203 10.231 -36.030 1.00 33.20 C ATOM 754 NE ARG A 52 -18.977 11.100 -35.138 1.00 14.11 N ATOM 755 CZ ARG A 52 -19.722 12.120 -35.518 1.00 72.14 C ATOM 756 NH1 ARG A 52 -19.874 12.424 -36.786 1.00 44.42 N ATOM 757 NH2 ARG A 52 -20.350 12.830 -34.614 1.00 2.04 N ATOM 0 H ARG A 52 -14.521 9.198 -35.335 1.00 73.24 H new ATOM 0 HA ARG A 52 -15.993 6.875 -34.678 1.00 23.11 H new ATOM 0 HB2 ARG A 52 -16.282 8.845 -36.993 1.00 51.15 H new ATOM 0 HB3 ARG A 52 -17.492 7.648 -36.573 1.00 51.15 H new ATOM 0 HG2 ARG A 52 -17.970 8.738 -34.499 1.00 73.32 H new ATOM 0 HG3 ARG A 52 -16.592 9.807 -34.669 1.00 73.32 H new ATOM 0 HD2 ARG A 52 -17.565 10.837 -36.673 1.00 33.20 H new ATOM 0 HD3 ARG A 52 -18.878 9.676 -36.682 1.00 33.20 H new ATOM 0 HE ARG A 52 -18.936 10.899 -34.139 1.00 14.11 H new ATOM 0 HH11 ARG A 52 -19.411 11.866 -37.503 1.00 44.42 H new ATOM 0 HH12 ARG A 52 -20.456 13.218 -37.054 1.00 44.42 H new ATOM 0 HH21 ARG A 52 -20.261 12.592 -33.626 1.00 2.04 H new ATOM 0 HH22 ARG A 52 -20.928 13.621 -34.898 1.00 2.04 H new ATOM 771 N GLU A 53 -14.278 6.827 -37.453 1.00 73.11 N ATOM 772 CA GLU A 53 -13.844 6.017 -38.582 1.00 15.41 C ATOM 773 C GLU A 53 -13.025 4.861 -38.025 1.00 50.44 C ATOM 774 O GLU A 53 -13.130 3.717 -38.499 1.00 24.21 O ATOM 775 CB GLU A 53 -12.979 6.812 -39.537 1.00 22.14 C ATOM 776 CG GLU A 53 -13.527 8.266 -39.870 1.00 14.22 C ATOM 777 CD GLU A 53 -14.850 8.180 -40.616 1.00 42.41 C ATOM 778 OE1 GLU A 53 -14.902 7.481 -41.670 1.00 53.33 O ATOM 779 OE2 GLU A 53 -15.805 8.907 -40.239 1.00 73.21 O ATOM 0 H GLU A 53 -13.778 7.711 -37.358 1.00 73.11 H new ATOM 0 HA GLU A 53 -14.718 5.670 -39.132 1.00 15.41 H new ATOM 0 HB2 GLU A 53 -11.980 6.903 -39.112 1.00 22.14 H new ATOM 0 HB3 GLU A 53 -12.880 6.253 -40.468 1.00 22.14 H new ATOM 0 HG2 GLU A 53 -13.659 8.831 -38.947 1.00 14.22 H new ATOM 0 HG3 GLU A 53 -12.797 8.807 -40.473 1.00 14.22 H new ATOM 786 N GLU A 54 -12.199 5.188 -37.023 1.00 44.34 N ATOM 787 CA GLU A 54 -11.264 4.193 -36.508 1.00 4.11 C ATOM 788 C GLU A 54 -11.834 3.235 -35.481 1.00 0.20 C ATOM 789 O GLU A 54 -11.513 2.055 -35.481 1.00 34.05 O ATOM 790 CB GLU A 54 -10.124 4.909 -35.824 1.00 21.23 C ATOM 791 CG GLU A 54 -9.198 5.645 -36.762 1.00 11.51 C ATOM 792 CD GLU A 54 -8.527 4.722 -37.766 1.00 51.45 C ATOM 793 OE1 GLU A 54 -7.904 3.730 -37.337 1.00 2.40 O ATOM 794 OE2 GLU A 54 -8.621 5.003 -38.992 1.00 2.11 O ATOM 0 H GLU A 54 -12.161 6.101 -36.570 1.00 44.34 H new ATOM 0 HA GLU A 54 -10.971 3.606 -37.379 1.00 4.11 H new ATOM 0 HB2 GLU A 54 -10.535 5.620 -35.107 1.00 21.23 H new ATOM 0 HB3 GLU A 54 -9.543 4.182 -35.256 1.00 21.23 H new ATOM 0 HG2 GLU A 54 -9.762 6.409 -37.297 1.00 11.51 H new ATOM 0 HG3 GLU A 54 -8.433 6.161 -36.181 1.00 11.51 H new ATOM 801 N LEU A 55 -12.556 3.756 -34.495 1.00 63.13 N ATOM 802 CA LEU A 55 -13.026 2.949 -33.372 1.00 32.35 C ATOM 803 C LEU A 55 -14.499 2.664 -33.479 1.00 52.03 C ATOM 804 O LEU A 55 -15.044 1.884 -32.718 1.00 2.52 O ATOM 805 CB LEU A 55 -12.741 3.612 -32.008 1.00 61.13 C ATOM 806 CG LEU A 55 -11.276 3.984 -31.634 1.00 31.23 C ATOM 807 CD1 LEU A 55 -11.222 4.608 -30.210 1.00 31.14 C ATOM 808 CD2 LEU A 55 -10.373 2.784 -31.615 1.00 23.35 C ATOM 0 H LEU A 55 -12.830 4.737 -34.450 1.00 63.13 H new ATOM 0 HA LEU A 55 -12.468 2.014 -33.424 1.00 32.35 H new ATOM 0 HB2 LEU A 55 -13.334 4.525 -31.957 1.00 61.13 H new ATOM 0 HB3 LEU A 55 -13.117 2.944 -31.234 1.00 61.13 H new ATOM 0 HG LEU A 55 -10.939 4.688 -32.395 1.00 31.23 H new ATOM 0 HD11 LEU A 55 -10.191 4.863 -29.963 1.00 31.14 H new ATOM 0 HD12 LEU A 55 -11.835 5.509 -30.184 1.00 31.14 H new ATOM 0 HD13 LEU A 55 -11.602 3.890 -29.483 1.00 31.14 H new ATOM 0 HD21 LEU A 55 -9.362 3.093 -31.349 1.00 23.35 H new ATOM 0 HD22 LEU A 55 -10.738 2.066 -30.881 1.00 23.35 H new ATOM 0 HD23 LEU A 55 -10.363 2.321 -32.602 1.00 23.35 H new ATOM 820 N GLY A 56 -15.151 3.315 -34.449 1.00 73.20 N ATOM 821 CA GLY A 56 -16.568 3.097 -34.678 1.00 63.55 C ATOM 822 C GLY A 56 -17.432 3.658 -33.564 1.00 4.22 C ATOM 823 O GLY A 56 -18.544 3.136 -33.358 1.00 13.31 O ATOM 0 H GLY A 56 -14.717 3.990 -35.079 1.00 73.20 H new ATOM 0 HA2 GLY A 56 -16.855 3.559 -35.623 1.00 63.55 H new ATOM 0 HA3 GLY A 56 -16.756 2.028 -34.776 1.00 63.55 H new ATOM 827 N VAL A 57 -16.975 4.682 -32.865 1.00 14.01 N ATOM 828 CA VAL A 57 -17.748 5.257 -31.749 1.00 1.43 C ATOM 829 C VAL A 57 -17.643 6.763 -31.714 1.00 14.14 C ATOM 830 O VAL A 57 -16.685 7.335 -32.236 1.00 43.14 O ATOM 831 CB VAL A 57 -17.274 4.667 -30.335 1.00 41.54 C ATOM 832 CG1 VAL A 57 -17.507 3.175 -30.245 1.00 43.12 C ATOM 833 CG2 VAL A 57 -15.789 4.967 -30.062 1.00 22.45 C ATOM 0 H VAL A 57 -16.080 5.139 -33.039 1.00 14.01 H new ATOM 0 HA VAL A 57 -18.787 4.977 -31.922 1.00 1.43 H new ATOM 0 HB VAL A 57 -17.879 5.165 -29.577 1.00 41.54 H new ATOM 0 HG11 VAL A 57 -17.173 2.813 -29.273 1.00 43.12 H new ATOM 0 HG12 VAL A 57 -18.570 2.965 -30.365 1.00 43.12 H new ATOM 0 HG13 VAL A 57 -16.946 2.671 -31.032 1.00 43.12 H new ATOM 0 HG21 VAL A 57 -15.506 4.551 -29.095 1.00 22.45 H new ATOM 0 HG22 VAL A 57 -15.177 4.517 -30.844 1.00 22.45 H new ATOM 0 HG23 VAL A 57 -15.631 6.045 -30.054 1.00 22.45 H new ATOM 843 N ASP A 58 -18.619 7.409 -31.090 1.00 42.54 N ATOM 844 CA ASP A 58 -18.655 8.853 -30.925 1.00 70.33 C ATOM 845 C ASP A 58 -17.887 9.281 -29.676 1.00 24.52 C ATOM 846 O ASP A 58 -18.385 9.148 -28.572 1.00 34.13 O ATOM 847 CB ASP A 58 -20.100 9.324 -30.790 1.00 21.10 C ATOM 848 CG ASP A 58 -20.824 9.364 -32.119 1.00 55.50 C ATOM 849 OD1 ASP A 58 -20.196 9.864 -33.066 1.00 11.05 O ATOM 850 OD2 ASP A 58 -21.999 8.955 -32.200 1.00 42.13 O ATOM 0 H ASP A 58 -19.422 6.934 -30.677 1.00 42.54 H new ATOM 0 HA ASP A 58 -18.190 9.301 -31.803 1.00 70.33 H new ATOM 0 HB2 ASP A 58 -20.633 8.660 -30.110 1.00 21.10 H new ATOM 0 HB3 ASP A 58 -20.114 10.318 -30.342 1.00 21.10 H new ATOM 855 N LEU A 59 -16.668 9.776 -29.855 1.00 21.35 N ATOM 856 CA LEU A 59 -15.853 10.194 -28.709 1.00 34.51 C ATOM 857 C LEU A 59 -16.535 11.347 -27.957 1.00 63.35 C ATOM 858 O LEU A 59 -16.702 12.447 -28.503 1.00 74.44 O ATOM 859 CB LEU A 59 -14.492 10.623 -29.195 1.00 61.33 C ATOM 860 CG LEU A 59 -13.342 10.790 -28.175 1.00 53.51 C ATOM 861 CD1 LEU A 59 -13.556 11.907 -27.177 1.00 74.31 C ATOM 862 CD2 LEU A 59 -13.084 9.471 -27.464 1.00 41.41 C ATOM 0 H LEU A 59 -16.223 9.899 -30.765 1.00 21.35 H new ATOM 0 HA LEU A 59 -15.745 9.355 -28.022 1.00 34.51 H new ATOM 0 HB2 LEU A 59 -14.166 9.897 -29.940 1.00 61.33 H new ATOM 0 HB3 LEU A 59 -14.614 11.576 -29.710 1.00 61.33 H new ATOM 0 HG LEU A 59 -12.463 11.082 -28.749 1.00 53.51 H new ATOM 0 HD11 LEU A 59 -12.705 11.957 -26.498 1.00 74.31 H new ATOM 0 HD12 LEU A 59 -13.653 12.855 -27.707 1.00 74.31 H new ATOM 0 HD13 LEU A 59 -14.464 11.716 -26.606 1.00 74.31 H new ATOM 0 HD21 LEU A 59 -12.273 9.597 -26.747 1.00 41.41 H new ATOM 0 HD22 LEU A 59 -13.987 9.158 -26.939 1.00 41.41 H new ATOM 0 HD23 LEU A 59 -12.808 8.711 -28.195 1.00 41.41 H new ATOM 874 N PRO A 60 -16.907 11.154 -26.674 1.00 13.22 N ATOM 875 CA PRO A 60 -17.555 12.241 -25.938 1.00 71.20 C ATOM 876 C PRO A 60 -16.647 13.450 -25.702 1.00 50.13 C ATOM 877 O PRO A 60 -15.669 13.344 -24.965 1.00 3.30 O ATOM 878 CB PRO A 60 -17.951 11.567 -24.608 1.00 12.23 C ATOM 879 CG PRO A 60 -17.862 10.134 -24.856 1.00 3.21 C ATOM 880 CD PRO A 60 -16.763 9.963 -25.841 1.00 21.31 C ATOM 0 HA PRO A 60 -18.395 12.661 -26.492 1.00 71.20 H new ATOM 0 HB2 PRO A 60 -17.283 11.868 -23.801 1.00 12.23 H new ATOM 0 HB3 PRO A 60 -18.960 11.852 -24.309 1.00 12.23 H new ATOM 0 HG2 PRO A 60 -17.651 9.590 -23.935 1.00 3.21 H new ATOM 0 HG3 PRO A 60 -18.802 9.745 -25.247 1.00 3.21 H new ATOM 0 HD2 PRO A 60 -15.787 9.919 -25.358 1.00 21.31 H new ATOM 0 HD3 PRO A 60 -16.874 9.046 -26.419 1.00 21.31 H new ATOM 888 N ILE A 61 -17.004 14.610 -26.244 1.00 41.11 N ATOM 889 CA ILE A 61 -16.180 15.809 -26.051 1.00 30.24 C ATOM 890 C ILE A 61 -16.019 16.182 -24.563 1.00 60.15 C ATOM 891 O ILE A 61 -15.000 16.744 -24.142 1.00 64.30 O ATOM 892 CB ILE A 61 -16.749 17.015 -26.869 1.00 41.42 C ATOM 893 CG1 ILE A 61 -15.689 18.145 -26.975 1.00 71.53 C ATOM 894 CG2 ILE A 61 -18.088 17.557 -26.249 1.00 52.41 C ATOM 895 CD1 ILE A 61 -16.013 19.246 -28.007 1.00 52.04 C ATOM 0 H ILE A 61 -17.841 14.750 -26.810 1.00 41.11 H new ATOM 0 HA ILE A 61 -15.185 15.572 -26.427 1.00 30.24 H new ATOM 0 HB ILE A 61 -16.979 16.658 -27.873 1.00 41.42 H new ATOM 0 HG12 ILE A 61 -15.574 18.608 -25.995 1.00 71.53 H new ATOM 0 HG13 ILE A 61 -14.728 17.699 -27.231 1.00 71.53 H new ATOM 0 HG21 ILE A 61 -18.452 18.394 -26.845 1.00 52.41 H new ATOM 0 HG22 ILE A 61 -18.835 16.763 -26.245 1.00 52.41 H new ATOM 0 HG23 ILE A 61 -17.907 17.891 -25.227 1.00 52.41 H new ATOM 0 HD11 ILE A 61 -15.216 19.989 -28.008 1.00 52.04 H new ATOM 0 HD12 ILE A 61 -16.097 18.802 -28.999 1.00 52.04 H new ATOM 0 HD13 ILE A 61 -16.956 19.726 -27.744 1.00 52.04 H new ATOM 907 N ARG A 62 -16.995 15.802 -23.740 1.00 50.53 N ATOM 908 CA ARG A 62 -16.894 16.051 -22.298 1.00 74.24 C ATOM 909 C ARG A 62 -15.775 15.212 -21.671 1.00 23.51 C ATOM 910 O ARG A 62 -15.168 15.652 -20.717 1.00 41.21 O ATOM 911 CB ARG A 62 -18.231 15.787 -21.584 1.00 10.15 C ATOM 912 CG ARG A 62 -19.270 16.925 -21.733 1.00 12.42 C ATOM 913 CD ARG A 62 -18.745 18.285 -21.206 1.00 74.20 C ATOM 914 NE ARG A 62 -18.343 18.221 -19.786 1.00 12.43 N ATOM 915 CZ ARG A 62 -17.321 18.867 -19.216 1.00 53.13 C ATOM 916 NH1 ARG A 62 -16.532 19.668 -19.894 1.00 74.44 N ATOM 917 NH2 ARG A 62 -17.092 18.719 -17.931 1.00 32.13 N ATOM 0 H ARG A 62 -17.849 15.330 -24.036 1.00 50.53 H new ATOM 0 HA ARG A 62 -16.648 17.105 -22.168 1.00 74.24 H new ATOM 0 HB2 ARG A 62 -18.662 14.865 -21.974 1.00 10.15 H new ATOM 0 HB3 ARG A 62 -18.037 15.625 -20.524 1.00 10.15 H new ATOM 0 HG2 ARG A 62 -19.543 17.028 -22.783 1.00 12.42 H new ATOM 0 HG3 ARG A 62 -20.178 16.656 -21.193 1.00 12.42 H new ATOM 0 HD2 ARG A 62 -17.893 18.601 -21.808 1.00 74.20 H new ATOM 0 HD3 ARG A 62 -19.519 19.042 -21.328 1.00 74.20 H new ATOM 0 HE ARG A 62 -18.903 17.623 -19.178 1.00 12.43 H new ATOM 0 HH11 ARG A 62 -16.689 19.815 -20.891 1.00 74.44 H new ATOM 0 HH12 ARG A 62 -15.762 20.144 -19.424 1.00 74.44 H new ATOM 0 HH21 ARG A 62 -17.693 18.113 -17.372 1.00 32.13 H new ATOM 0 HH22 ARG A 62 -16.313 19.210 -17.492 1.00 32.13 H new ATOM 931 N GLN A 63 -15.521 14.002 -22.159 1.00 52.13 N ATOM 932 CA GLN A 63 -14.428 13.174 -21.642 1.00 22.53 C ATOM 933 C GLN A 63 -13.122 13.739 -22.144 1.00 33.11 C ATOM 934 O GLN A 63 -12.157 13.815 -21.407 1.00 4.11 O ATOM 935 CB GLN A 63 -14.534 11.715 -22.072 1.00 13.53 C ATOM 936 CG GLN A 63 -15.122 10.809 -20.998 1.00 54.04 C ATOM 937 CD GLN A 63 -16.635 10.694 -21.092 1.00 54.02 C ATOM 938 OE1 GLN A 63 -17.165 9.657 -21.419 1.00 3.13 O ATOM 939 NE2 GLN A 63 -17.340 11.745 -20.737 1.00 43.04 N ATOM 0 H GLN A 63 -16.056 13.569 -22.912 1.00 52.13 H new ATOM 0 HA GLN A 63 -14.484 13.194 -20.554 1.00 22.53 H new ATOM 0 HB2 GLN A 63 -15.151 11.652 -22.968 1.00 13.53 H new ATOM 0 HB3 GLN A 63 -13.543 11.350 -22.342 1.00 13.53 H new ATOM 0 HG2 GLN A 63 -14.680 9.816 -21.084 1.00 54.04 H new ATOM 0 HG3 GLN A 63 -14.851 11.194 -20.015 1.00 54.04 H new ATOM 0 HE21 GLN A 63 -16.868 12.608 -20.466 1.00 43.04 H new ATOM 0 HE22 GLN A 63 -18.359 11.698 -20.733 1.00 43.04 H new ATOM 948 N LEU A 64 -13.127 14.184 -23.390 1.00 11.43 N ATOM 949 CA LEU A 64 -11.944 14.779 -24.000 1.00 52.13 C ATOM 950 C LEU A 64 -11.500 16.005 -23.227 1.00 72.22 C ATOM 951 O LEU A 64 -10.314 16.179 -22.963 1.00 5.40 O ATOM 952 CB LEU A 64 -12.237 15.144 -25.445 1.00 22.33 C ATOM 953 CG LEU A 64 -11.006 15.531 -26.274 1.00 15.12 C ATOM 954 CD1 LEU A 64 -9.993 14.412 -26.413 1.00 23.25 C ATOM 955 CD2 LEU A 64 -11.457 15.934 -27.629 1.00 51.11 C ATOM 0 H LEU A 64 -13.941 14.145 -24.004 1.00 11.43 H new ATOM 0 HA LEU A 64 -11.134 14.050 -23.974 1.00 52.13 H new ATOM 0 HB2 LEU A 64 -12.730 14.299 -25.926 1.00 22.33 H new ATOM 0 HB3 LEU A 64 -12.943 15.975 -25.459 1.00 22.33 H new ATOM 0 HG LEU A 64 -10.509 16.346 -25.748 1.00 15.12 H new ATOM 0 HD11 LEU A 64 -9.150 14.757 -27.011 1.00 23.25 H new ATOM 0 HD12 LEU A 64 -9.640 14.116 -25.425 1.00 23.25 H new ATOM 0 HD13 LEU A 64 -10.460 13.557 -26.903 1.00 23.25 H new ATOM 0 HD21 LEU A 64 -10.593 16.213 -28.232 1.00 51.11 H new ATOM 0 HD22 LEU A 64 -11.976 15.101 -28.102 1.00 51.11 H new ATOM 0 HD23 LEU A 64 -12.133 16.785 -27.549 1.00 51.11 H new ATOM 967 N PHE A 65 -12.428 16.861 -22.844 1.00 54.01 N ATOM 968 CA PHE A 65 -12.077 18.065 -22.108 1.00 50.53 C ATOM 969 C PHE A 65 -11.687 17.755 -20.672 1.00 64.54 C ATOM 970 O PHE A 65 -10.902 18.468 -20.059 1.00 31.50 O ATOM 971 CB PHE A 65 -13.219 19.083 -22.152 1.00 23.33 C ATOM 972 CG PHE A 65 -13.344 19.831 -23.483 1.00 33.32 C ATOM 973 CD1 PHE A 65 -12.499 19.562 -24.596 1.00 32.52 C ATOM 974 CD2 PHE A 65 -14.343 20.818 -23.621 1.00 32.33 C ATOM 975 CE1 PHE A 65 -12.659 20.289 -25.809 1.00 55.24 C ATOM 976 CE2 PHE A 65 -14.504 21.541 -24.807 1.00 65.31 C ATOM 977 CZ PHE A 65 -13.656 21.274 -25.888 1.00 72.32 C ATOM 0 H PHE A 65 -13.425 16.748 -23.028 1.00 54.01 H new ATOM 0 HA PHE A 65 -11.206 18.502 -22.596 1.00 50.53 H new ATOM 0 HB2 PHE A 65 -14.158 18.568 -21.948 1.00 23.33 H new ATOM 0 HB3 PHE A 65 -13.074 19.809 -21.352 1.00 23.33 H new ATOM 0 HD1 PHE A 65 -11.734 18.804 -24.520 1.00 32.52 H new ATOM 0 HD2 PHE A 65 -15.001 21.020 -22.789 1.00 32.33 H new ATOM 0 HE1 PHE A 65 -12.022 20.086 -26.657 1.00 55.24 H new ATOM 0 HE2 PHE A 65 -15.273 22.295 -24.888 1.00 65.31 H new ATOM 0 HZ PHE A 65 -13.771 21.838 -26.802 1.00 72.32 H new ATOM 987 N SER A 66 -12.209 16.657 -20.135 1.00 72.15 N ATOM 988 CA SER A 66 -11.853 16.236 -18.761 1.00 65.42 C ATOM 989 C SER A 66 -10.444 15.628 -18.718 1.00 73.23 C ATOM 990 O SER A 66 -9.791 15.651 -17.689 1.00 43.00 O ATOM 991 CB SER A 66 -12.844 15.199 -18.259 1.00 72.21 C ATOM 992 OG SER A 66 -14.143 15.737 -18.114 1.00 35.31 O ATOM 0 H SER A 66 -12.870 16.043 -20.611 1.00 72.15 H new ATOM 0 HA SER A 66 -11.881 17.121 -18.126 1.00 65.42 H new ATOM 0 HB2 SER A 66 -12.874 14.360 -18.954 1.00 72.21 H new ATOM 0 HB3 SER A 66 -12.505 14.807 -17.300 1.00 72.21 H new ATOM 0 HG SER A 66 -14.596 15.737 -18.983 1.00 35.31 H new ATOM 998 N SER A 67 -9.980 15.080 -19.832 1.00 63.34 N ATOM 999 CA SER A 67 -8.658 14.473 -19.903 1.00 51.23 C ATOM 1000 C SER A 67 -8.173 14.554 -21.370 1.00 63.55 C ATOM 1001 O SER A 67 -8.407 13.633 -22.160 1.00 62.52 O ATOM 1002 CB SER A 67 -8.725 13.020 -19.423 1.00 60.43 C ATOM 1003 OG SER A 67 -9.768 12.330 -20.086 1.00 32.01 O ATOM 0 H SER A 67 -10.504 15.043 -20.706 1.00 63.34 H new ATOM 0 HA SER A 67 -7.956 15.001 -19.258 1.00 51.23 H new ATOM 0 HB2 SER A 67 -7.773 12.523 -19.613 1.00 60.43 H new ATOM 0 HB3 SER A 67 -8.890 12.993 -18.346 1.00 60.43 H new ATOM 0 HG SER A 67 -9.744 12.542 -21.043 1.00 32.01 H new ATOM 1009 N PRO A 68 -7.503 15.662 -21.750 1.00 12.10 N ATOM 1010 CA PRO A 68 -7.089 15.900 -23.142 1.00 64.45 C ATOM 1011 C PRO A 68 -5.804 15.179 -23.544 1.00 53.13 C ATOM 1012 O PRO A 68 -4.986 15.716 -24.282 1.00 54.21 O ATOM 1013 CB PRO A 68 -6.919 17.414 -23.175 1.00 42.43 C ATOM 1014 CG PRO A 68 -6.364 17.710 -21.842 1.00 74.53 C ATOM 1015 CD PRO A 68 -7.162 16.820 -20.897 1.00 52.23 C ATOM 0 HA PRO A 68 -7.815 15.511 -23.856 1.00 64.45 H new ATOM 0 HB2 PRO A 68 -6.245 17.728 -23.972 1.00 42.43 H new ATOM 0 HB3 PRO A 68 -7.868 17.924 -23.340 1.00 42.43 H new ATOM 0 HG2 PRO A 68 -5.298 17.485 -21.796 1.00 74.53 H new ATOM 0 HG3 PRO A 68 -6.479 18.764 -21.588 1.00 74.53 H new ATOM 0 HD2 PRO A 68 -6.575 16.523 -20.028 1.00 52.23 H new ATOM 0 HD3 PRO A 68 -8.053 17.324 -20.523 1.00 52.23 H new ATOM 1023 N THR A 69 -5.587 13.965 -23.019 1.00 75.52 N ATOM 1024 CA THR A 69 -4.412 13.179 -23.329 1.00 71.11 C ATOM 1025 C THR A 69 -4.921 11.869 -23.950 1.00 43.22 C ATOM 1026 O THR A 69 -6.056 11.450 -23.685 1.00 23.34 O ATOM 1027 CB THR A 69 -3.585 12.876 -22.062 1.00 25.13 C ATOM 1028 OG1 THR A 69 -4.438 12.309 -21.070 1.00 14.24 O ATOM 1029 CG2 THR A 69 -2.957 14.131 -21.464 1.00 41.13 C ATOM 0 H THR A 69 -6.229 13.511 -22.369 1.00 75.52 H new ATOM 0 HA THR A 69 -3.758 13.724 -24.009 1.00 71.11 H new ATOM 0 HB THR A 69 -2.789 12.192 -22.356 1.00 25.13 H new ATOM 0 HG1 THR A 69 -3.917 12.113 -20.264 1.00 14.24 H new ATOM 0 HG21 THR A 69 -2.386 13.864 -20.575 1.00 41.13 H new ATOM 0 HG22 THR A 69 -2.294 14.591 -22.197 1.00 41.13 H new ATOM 0 HG23 THR A 69 -3.742 14.837 -21.192 1.00 41.13 H new ATOM 1037 N PRO A 70 -4.114 11.212 -24.790 1.00 2.24 N ATOM 1038 CA PRO A 70 -4.704 10.064 -25.473 1.00 3.52 C ATOM 1039 C PRO A 70 -5.008 8.888 -24.551 1.00 3.10 C ATOM 1040 O PRO A 70 -6.040 8.259 -24.659 1.00 31.40 O ATOM 1041 CB PRO A 70 -3.634 9.720 -26.532 1.00 60.43 C ATOM 1042 CG PRO A 70 -2.394 10.150 -25.963 1.00 2.23 C ATOM 1043 CD PRO A 70 -2.732 11.435 -25.263 1.00 45.32 C ATOM 0 HA PRO A 70 -5.683 10.291 -25.895 1.00 3.52 H new ATOM 0 HB2 PRO A 70 -3.620 8.651 -26.745 1.00 60.43 H new ATOM 0 HB3 PRO A 70 -3.833 10.231 -27.474 1.00 60.43 H new ATOM 0 HG2 PRO A 70 -1.998 9.410 -25.267 1.00 2.23 H new ATOM 0 HG3 PRO A 70 -1.636 10.303 -26.731 1.00 2.23 H new ATOM 0 HD2 PRO A 70 -2.051 11.633 -24.435 1.00 45.32 H new ATOM 0 HD3 PRO A 70 -2.671 12.289 -25.938 1.00 45.32 H new ATOM 1051 N ALA A 71 -4.141 8.616 -23.579 1.00 53.31 N ATOM 1052 CA ALA A 71 -4.406 7.533 -22.636 1.00 54.35 C ATOM 1053 C ALA A 71 -5.374 7.966 -21.552 1.00 41.30 C ATOM 1054 O ALA A 71 -6.035 7.157 -20.930 1.00 62.11 O ATOM 1055 CB ALA A 71 -3.109 7.110 -21.987 1.00 31.22 C ATOM 0 H ALA A 71 -3.267 9.118 -23.425 1.00 53.31 H new ATOM 0 HA ALA A 71 -4.851 6.705 -23.188 1.00 54.35 H new ATOM 0 HB1 ALA A 71 -3.302 6.301 -21.282 1.00 31.22 H new ATOM 0 HB2 ALA A 71 -2.414 6.766 -22.753 1.00 31.22 H new ATOM 0 HB3 ALA A 71 -2.674 7.957 -21.457 1.00 31.22 H new ATOM 1061 N GLY A 72 -5.477 9.267 -21.345 1.00 32.22 N ATOM 1062 CA GLY A 72 -6.390 9.804 -20.343 1.00 71.03 C ATOM 1063 C GLY A 72 -7.833 9.694 -20.779 1.00 25.11 C ATOM 1064 O GLY A 72 -8.684 9.241 -20.026 1.00 72.41 O ATOM 0 H GLY A 72 -4.943 9.972 -21.854 1.00 32.22 H new ATOM 0 HA2 GLY A 72 -6.253 9.269 -19.403 1.00 71.03 H new ATOM 0 HA3 GLY A 72 -6.147 10.849 -20.153 1.00 71.03 H new ATOM 1068 N VAL A 73 -8.096 10.090 -22.015 1.00 23.32 N ATOM 1069 CA VAL A 73 -9.463 10.045 -22.538 1.00 54.01 C ATOM 1070 C VAL A 73 -9.926 8.592 -22.608 1.00 4.51 C ATOM 1071 O VAL A 73 -11.066 8.286 -22.267 1.00 72.13 O ATOM 1072 CB VAL A 73 -9.608 10.794 -23.884 1.00 41.20 C ATOM 1073 CG1 VAL A 73 -8.952 10.017 -25.051 1.00 15.32 C ATOM 1074 CG2 VAL A 73 -11.073 11.085 -24.187 1.00 72.15 C ATOM 0 H VAL A 73 -7.397 10.442 -22.670 1.00 23.32 H new ATOM 0 HA VAL A 73 -10.121 10.581 -21.853 1.00 54.01 H new ATOM 0 HB VAL A 73 -9.079 11.742 -23.785 1.00 41.20 H new ATOM 0 HG11 VAL A 73 -9.077 10.578 -25.977 1.00 15.32 H new ATOM 0 HG12 VAL A 73 -7.889 9.884 -24.848 1.00 15.32 H new ATOM 0 HG13 VAL A 73 -9.427 9.041 -25.151 1.00 15.32 H new ATOM 0 HG21 VAL A 73 -11.150 11.612 -25.138 1.00 72.15 H new ATOM 0 HG22 VAL A 73 -11.626 10.147 -24.246 1.00 72.15 H new ATOM 0 HG23 VAL A 73 -11.493 11.704 -23.394 1.00 72.15 H new ATOM 1084 N ALA A 74 -9.015 7.683 -22.942 1.00 20.43 N ATOM 1085 CA ALA A 74 -9.343 6.279 -23.018 1.00 54.43 C ATOM 1086 C ALA A 74 -9.854 5.738 -21.675 1.00 12.24 C ATOM 1087 O ALA A 74 -10.897 5.098 -21.593 1.00 51.40 O ATOM 1088 CB ALA A 74 -8.093 5.456 -23.488 1.00 50.51 C ATOM 0 H ALA A 74 -8.044 7.903 -23.163 1.00 20.43 H new ATOM 0 HA ALA A 74 -10.146 6.168 -23.747 1.00 54.43 H new ATOM 0 HB1 ALA A 74 -8.353 4.399 -23.541 1.00 50.51 H new ATOM 0 HB2 ALA A 74 -7.778 5.803 -24.472 1.00 50.51 H new ATOM 0 HB3 ALA A 74 -7.278 5.594 -22.777 1.00 50.51 H new ATOM 1094 N ARG A 75 -9.130 6.011 -20.607 1.00 35.14 N ATOM 1095 CA ARG A 75 -9.545 5.528 -19.280 1.00 11.34 C ATOM 1096 C ARG A 75 -10.802 6.261 -18.819 1.00 22.41 C ATOM 1097 O ARG A 75 -11.659 5.676 -18.160 1.00 10.01 O ATOM 1098 CB ARG A 75 -8.409 5.753 -18.259 1.00 30.22 C ATOM 1099 CG ARG A 75 -7.158 4.963 -18.601 1.00 10.44 C ATOM 1100 CD ARG A 75 -6.046 5.267 -17.603 1.00 44.34 C ATOM 1101 NE ARG A 75 -4.738 4.851 -18.124 1.00 41.41 N ATOM 1102 CZ ARG A 75 -3.747 5.686 -18.445 1.00 32.33 C ATOM 1103 NH1 ARG A 75 -3.819 6.994 -18.268 1.00 4.00 N ATOM 1104 NH2 ARG A 75 -2.660 5.187 -18.933 1.00 1.14 N ATOM 0 H ARG A 75 -8.266 6.553 -20.617 1.00 35.14 H new ATOM 0 HA ARG A 75 -9.762 4.462 -19.349 1.00 11.34 H new ATOM 0 HB2 ARG A 75 -8.165 6.815 -18.219 1.00 30.22 H new ATOM 0 HB3 ARG A 75 -8.755 5.468 -17.266 1.00 30.22 H new ATOM 0 HG2 ARG A 75 -7.381 3.896 -18.593 1.00 10.44 H new ATOM 0 HG3 ARG A 75 -6.828 5.212 -19.610 1.00 10.44 H new ATOM 0 HD2 ARG A 75 -6.031 6.335 -17.385 1.00 44.34 H new ATOM 0 HD3 ARG A 75 -6.246 4.753 -16.663 1.00 44.34 H new ATOM 0 HE ARG A 75 -4.575 3.852 -18.250 1.00 41.41 H new ATOM 0 HH11 ARG A 75 -4.661 7.409 -17.869 1.00 4.00 H new ATOM 0 HH12 ARG A 75 -3.033 7.588 -18.530 1.00 4.00 H new ATOM 0 HH21 ARG A 75 -2.576 4.179 -19.064 1.00 1.14 H new ATOM 0 HH22 ARG A 75 -1.886 5.801 -19.187 1.00 1.14 H new ATOM 1118 N ALA A 76 -10.897 7.547 -19.141 1.00 72.01 N ATOM 1119 CA ALA A 76 -12.022 8.354 -18.685 1.00 10.40 C ATOM 1120 C ALA A 76 -13.341 7.935 -19.304 1.00 14.30 C ATOM 1121 O ALA A 76 -14.386 8.050 -18.654 1.00 62.33 O ATOM 1122 CB ALA A 76 -11.780 9.837 -18.986 1.00 41.00 C ATOM 0 H ALA A 76 -10.215 8.049 -19.710 1.00 72.01 H new ATOM 0 HA ALA A 76 -12.092 8.193 -17.609 1.00 10.40 H new ATOM 0 HB1 ALA A 76 -12.631 10.422 -18.638 1.00 41.00 H new ATOM 0 HB2 ALA A 76 -10.877 10.170 -18.474 1.00 41.00 H new ATOM 0 HB3 ALA A 76 -11.660 9.975 -20.060 1.00 41.00 H new ATOM 1128 N LEU A 77 -13.299 7.480 -20.546 1.00 62.25 N ATOM 1129 CA LEU A 77 -14.509 7.004 -21.235 1.00 14.54 C ATOM 1130 C LEU A 77 -14.832 5.554 -20.883 1.00 63.34 C ATOM 1131 O LEU A 77 -15.990 5.229 -20.681 1.00 75.23 O ATOM 1132 CB LEU A 77 -14.370 7.210 -22.756 1.00 42.13 C ATOM 1133 CG LEU A 77 -13.454 6.301 -23.611 1.00 5.01 C ATOM 1134 CD1 LEU A 77 -14.203 5.042 -24.108 1.00 34.22 C ATOM 1135 CD2 LEU A 77 -12.956 7.073 -24.807 1.00 53.33 C ATOM 0 H LEU A 77 -12.447 7.426 -21.105 1.00 62.25 H new ATOM 0 HA LEU A 77 -15.354 7.598 -20.888 1.00 14.54 H new ATOM 0 HB2 LEU A 77 -15.372 7.139 -23.179 1.00 42.13 H new ATOM 0 HB3 LEU A 77 -14.032 8.235 -22.908 1.00 42.13 H new ATOM 0 HG LEU A 77 -12.622 5.983 -22.984 1.00 5.01 H new ATOM 0 HD11 LEU A 77 -13.528 4.429 -24.704 1.00 34.22 H new ATOM 0 HD12 LEU A 77 -14.555 4.467 -23.252 1.00 34.22 H new ATOM 0 HD13 LEU A 77 -15.055 5.343 -24.718 1.00 34.22 H new ATOM 0 HD21 LEU A 77 -12.311 6.434 -25.410 1.00 53.33 H new ATOM 0 HD22 LEU A 77 -13.805 7.401 -25.407 1.00 53.33 H new ATOM 0 HD23 LEU A 77 -12.392 7.943 -24.470 1.00 53.33 H new ATOM 1147 N ALA A 78 -13.808 4.721 -20.741 1.00 41.13 N ATOM 1148 CA ALA A 78 -14.006 3.310 -20.432 1.00 10.21 C ATOM 1149 C ALA A 78 -14.740 3.143 -19.095 1.00 45.44 C ATOM 1150 O ALA A 78 -15.544 2.231 -18.922 1.00 52.24 O ATOM 1151 CB ALA A 78 -12.663 2.591 -20.381 1.00 51.13 C ATOM 0 H ALA A 78 -12.831 4.999 -20.835 1.00 41.13 H new ATOM 0 HA ALA A 78 -14.618 2.870 -21.219 1.00 10.21 H new ATOM 0 HB1 ALA A 78 -12.823 1.538 -20.149 1.00 51.13 H new ATOM 0 HB2 ALA A 78 -12.166 2.679 -21.347 1.00 51.13 H new ATOM 0 HB3 ALA A 78 -12.038 3.041 -19.610 1.00 51.13 H new ATOM 1157 N ALA A 79 -14.455 4.040 -18.152 1.00 14.15 N ATOM 1158 CA ALA A 79 -15.105 4.004 -16.854 1.00 34.42 C ATOM 1159 C ALA A 79 -16.611 4.319 -16.965 1.00 71.00 C ATOM 1160 O ALA A 79 -17.397 3.872 -16.139 1.00 22.54 O ATOM 1161 CB ALA A 79 -14.417 5.011 -15.921 1.00 2.02 C ATOM 0 H ALA A 79 -13.780 4.796 -18.267 1.00 14.15 H new ATOM 0 HA ALA A 79 -15.013 2.997 -16.446 1.00 34.42 H new ATOM 0 HB1 ALA A 79 -14.899 4.990 -14.944 1.00 2.02 H new ATOM 0 HB2 ALA A 79 -13.365 4.746 -15.812 1.00 2.02 H new ATOM 0 HB3 ALA A 79 -14.497 6.012 -16.344 1.00 2.02 H new ATOM 1167 N LYS A 80 -17.000 5.101 -17.965 1.00 63.43 N ATOM 1168 CA LYS A 80 -18.395 5.542 -18.102 1.00 34.03 C ATOM 1169 C LYS A 80 -19.211 4.682 -19.045 1.00 60.33 C ATOM 1170 O LYS A 80 -20.427 4.791 -19.065 1.00 62.11 O ATOM 1171 CB LYS A 80 -18.456 6.992 -18.539 1.00 73.40 C ATOM 1172 CG LYS A 80 -17.867 7.891 -17.474 1.00 23.12 C ATOM 1173 CD LYS A 80 -17.708 9.287 -17.994 1.00 4.13 C ATOM 1174 CE LYS A 80 -17.043 10.172 -16.937 1.00 23.41 C ATOM 1175 NZ LYS A 80 -15.723 9.593 -16.497 1.00 71.42 N ATOM 0 H LYS A 80 -16.376 5.445 -18.694 1.00 63.43 H new ATOM 0 HA LYS A 80 -18.843 5.435 -17.114 1.00 34.03 H new ATOM 0 HB2 LYS A 80 -17.910 7.120 -19.474 1.00 73.40 H new ATOM 0 HB3 LYS A 80 -19.490 7.277 -18.732 1.00 73.40 H new ATOM 0 HG2 LYS A 80 -18.513 7.895 -16.596 1.00 23.12 H new ATOM 0 HG3 LYS A 80 -16.899 7.503 -17.156 1.00 23.12 H new ATOM 0 HD2 LYS A 80 -17.106 9.278 -18.903 1.00 4.13 H new ATOM 0 HD3 LYS A 80 -18.682 9.697 -18.261 1.00 4.13 H new ATOM 0 HE2 LYS A 80 -16.888 11.172 -17.341 1.00 23.41 H new ATOM 0 HE3 LYS A 80 -17.704 10.275 -16.076 1.00 23.41 H new ATOM 0 HZ1 LYS A 80 -15.088 10.362 -16.201 1.00 71.42 H new ATOM 0 HZ2 LYS A 80 -15.877 8.944 -15.699 1.00 71.42 H new ATOM 0 HZ3 LYS A 80 -15.291 9.073 -17.287 1.00 71.42 H new ATOM 1189 N SER A 81 -18.544 3.842 -19.822 1.00 41.32 N ATOM 1190 CA SER A 81 -19.188 2.906 -20.718 1.00 21.12 C ATOM 1191 C SER A 81 -19.216 1.535 -20.036 1.00 42.41 C ATOM 1192 O SER A 81 -19.712 0.568 -20.598 1.00 60.12 O ATOM 1193 CB SER A 81 -18.448 2.813 -22.056 1.00 61.55 C ATOM 1194 OG SER A 81 -17.085 2.491 -21.865 1.00 52.24 O ATOM 0 H SER A 81 -17.525 3.794 -19.845 1.00 41.32 H new ATOM 0 HA SER A 81 -20.200 3.250 -20.931 1.00 21.12 H new ATOM 0 HB2 SER A 81 -18.919 2.056 -22.683 1.00 61.55 H new ATOM 0 HB3 SER A 81 -18.529 3.762 -22.586 1.00 61.55 H new ATOM 0 HG SER A 81 -16.637 2.437 -22.735 1.00 52.24 H new ATOM 1200 N ALA A 82 -18.675 1.475 -18.832 1.00 30.14 N ATOM 1201 CA ALA A 82 -18.655 0.253 -18.050 1.00 21.04 C ATOM 1202 C ALA A 82 -20.069 -0.025 -17.528 1.00 10.34 C ATOM 1203 O ALA A 82 -20.898 0.868 -17.419 1.00 75.11 O ATOM 1204 CB ALA A 82 -17.649 0.384 -16.893 1.00 43.32 C ATOM 0 H ALA A 82 -18.238 2.272 -18.370 1.00 30.14 H new ATOM 0 HA ALA A 82 -18.338 -0.584 -18.671 1.00 21.04 H new ATOM 0 HB1 ALA A 82 -17.641 -0.538 -16.312 1.00 43.32 H new ATOM 0 HB2 ALA A 82 -16.653 0.568 -17.296 1.00 43.32 H new ATOM 0 HB3 ALA A 82 -17.939 1.215 -16.251 1.00 43.32 H new ATOM 1210 N SER A 83 -20.317 -1.274 -17.152 1.00 55.11 N ATOM 1211 CA SER A 83 -21.611 -1.674 -16.586 1.00 40.11 C ATOM 1212 C SER A 83 -21.831 -1.121 -15.181 1.00 44.04 C ATOM 1213 O SER A 83 -22.940 -1.179 -14.648 1.00 42.20 O ATOM 1214 CB SER A 83 -21.681 -3.190 -16.539 1.00 2.12 C ATOM 1215 OG SER A 83 -21.293 -3.737 -17.787 1.00 61.13 O ATOM 0 H SER A 83 -19.640 -2.033 -17.227 1.00 55.11 H new ATOM 0 HA SER A 83 -22.392 -1.263 -17.226 1.00 40.11 H new ATOM 0 HB2 SER A 83 -21.030 -3.567 -15.750 1.00 2.12 H new ATOM 0 HB3 SER A 83 -22.695 -3.507 -16.294 1.00 2.12 H new ATOM 0 HG SER A 83 -21.340 -4.715 -17.744 1.00 61.13 H new ATOM 1221 N TRP A 84 -20.769 -0.619 -14.571 1.00 4.02 N ATOM 1222 CA TRP A 84 -20.827 -0.042 -13.243 1.00 2.51 C ATOM 1223 C TRP A 84 -21.458 1.346 -13.295 1.00 72.13 C ATOM 1224 O TRP A 84 -21.273 2.077 -14.239 1.00 14.51 O ATOM 1225 CB TRP A 84 -19.432 0.042 -12.644 1.00 14.34 C ATOM 1226 CG TRP A 84 -18.757 -1.299 -12.565 1.00 1.21 C ATOM 1227 CD1 TRP A 84 -17.666 -1.719 -13.260 1.00 21.13 C ATOM 1228 CD2 TRP A 84 -19.112 -2.410 -11.717 1.00 72.44 C ATOM 1229 NE1 TRP A 84 -17.311 -2.985 -12.927 1.00 75.22 N ATOM 1230 CE2 TRP A 84 -18.176 -3.447 -11.973 1.00 2.23 C ATOM 1231 CE3 TRP A 84 -20.140 -2.632 -10.776 1.00 32.43 C ATOM 1232 CZ2 TRP A 84 -18.221 -4.674 -11.296 1.00 64.45 C ATOM 1233 CZ3 TRP A 84 -20.177 -3.885 -10.078 1.00 34.30 C ATOM 1234 CH2 TRP A 84 -19.206 -4.887 -10.346 1.00 30.11 C ATOM 0 H TRP A 84 -19.838 -0.602 -14.988 1.00 4.02 H new ATOM 0 HA TRP A 84 -21.443 -0.684 -12.613 1.00 2.51 H new ATOM 0 HB2 TRP A 84 -18.822 0.717 -13.245 1.00 14.34 H new ATOM 0 HB3 TRP A 84 -19.495 0.473 -11.645 1.00 14.34 H new ATOM 0 HD1 TRP A 84 -17.145 -1.117 -13.989 1.00 21.13 H new ATOM 0 HE1 TRP A 84 -16.529 -3.506 -13.322 1.00 75.22 H new ATOM 0 HE3 TRP A 84 -20.885 -1.873 -10.585 1.00 32.43 H new ATOM 0 HZ2 TRP A 84 -17.496 -5.444 -11.513 1.00 64.45 H new ATOM 0 HZ3 TRP A 84 -20.948 -4.068 -9.344 1.00 34.30 H new ATOM 0 HH2 TRP A 84 -19.236 -5.821 -9.805 1.00 30.11 H new ATOM 1245 N SER A 85 -22.165 1.674 -12.228 1.00 11.12 N ATOM 1246 CA SER A 85 -22.788 2.992 -12.075 1.00 42.35 C ATOM 1247 C SER A 85 -22.150 3.708 -10.869 1.00 0.12 C ATOM 1248 O SER A 85 -21.722 3.087 -9.921 1.00 24.13 O ATOM 1249 CB SER A 85 -24.287 2.827 -11.840 1.00 60.32 C ATOM 1250 OG SER A 85 -24.856 2.125 -12.918 1.00 11.25 O ATOM 0 H SER A 85 -22.327 1.043 -11.443 1.00 11.12 H new ATOM 0 HA SER A 85 -22.633 3.581 -12.979 1.00 42.35 H new ATOM 0 HB2 SER A 85 -24.463 2.289 -10.908 1.00 60.32 H new ATOM 0 HB3 SER A 85 -24.760 3.804 -11.738 1.00 60.32 H new ATOM 0 HG SER A 85 -25.818 2.017 -12.767 1.00 11.25 H new ATOM 1256 N HIS A 86 -22.088 5.024 -10.956 1.00 20.21 N ATOM 1257 CA HIS A 86 -21.581 5.848 -9.870 1.00 45.44 C ATOM 1258 C HIS A 86 -22.715 6.189 -8.910 1.00 4.12 C ATOM 1259 O HIS A 86 -23.855 6.316 -9.336 1.00 45.44 O ATOM 1260 CB HIS A 86 -21.024 7.174 -10.417 1.00 55.45 C ATOM 1261 CG HIS A 86 -19.781 7.010 -11.256 1.00 32.32 C ATOM 1262 ND1 HIS A 86 -18.609 6.453 -10.804 1.00 75.52 N ATOM 1263 CD2 HIS A 86 -19.547 7.341 -12.558 1.00 35.51 C ATOM 1264 CE1 HIS A 86 -17.734 6.471 -11.797 1.00 53.31 C ATOM 1265 NE2 HIS A 86 -18.244 7.007 -12.893 1.00 53.30 N ATOM 0 H HIS A 86 -22.386 5.551 -11.777 1.00 20.21 H new ATOM 0 HA HIS A 86 -20.795 5.290 -9.362 1.00 45.44 H new ATOM 0 HB2 HIS A 86 -21.794 7.662 -11.015 1.00 55.45 H new ATOM 0 HB3 HIS A 86 -20.802 7.837 -9.581 1.00 55.45 H new ATOM 0 HD2 HIS A 86 -20.266 7.793 -13.225 1.00 35.51 H new ATOM 0 HE1 HIS A 86 -16.725 6.093 -11.721 1.00 53.31 H new ATOM 0 HE2 HIS A 86 -17.779 7.145 -13.790 1.00 53.30 H new ATOM 1273 N PRO A 87 -22.426 6.358 -7.598 1.00 51.15 N ATOM 1274 CA PRO A 87 -23.530 6.765 -6.719 1.00 14.23 C ATOM 1275 C PRO A 87 -23.907 8.235 -6.961 1.00 30.45 C ATOM 1276 O PRO A 87 -23.090 9.058 -7.351 1.00 54.25 O ATOM 1277 CB PRO A 87 -22.930 6.571 -5.313 1.00 52.02 C ATOM 1278 CG PRO A 87 -21.489 6.829 -5.509 1.00 55.42 C ATOM 1279 CD PRO A 87 -21.159 6.223 -6.860 1.00 13.01 C ATOM 0 HA PRO A 87 -24.447 6.198 -6.879 1.00 14.23 H new ATOM 0 HB2 PRO A 87 -23.366 7.263 -4.592 1.00 52.02 H new ATOM 0 HB3 PRO A 87 -23.109 5.564 -4.937 1.00 52.02 H new ATOM 0 HG2 PRO A 87 -21.274 7.897 -5.493 1.00 55.42 H new ATOM 0 HG3 PRO A 87 -20.896 6.373 -4.717 1.00 55.42 H new ATOM 0 HD2 PRO A 87 -20.345 6.754 -7.353 1.00 13.01 H new ATOM 0 HD3 PRO A 87 -20.852 5.181 -6.771 1.00 13.01 H new ATOM 1287 N GLN A 88 -25.168 8.560 -6.704 1.00 75.40 N ATOM 1288 CA GLN A 88 -25.688 9.910 -6.871 1.00 4.43 C ATOM 1289 C GLN A 88 -26.667 10.187 -5.750 1.00 61.02 C ATOM 1290 O GLN A 88 -27.429 9.317 -5.363 1.00 41.50 O ATOM 1291 CB GLN A 88 -26.365 10.035 -8.245 1.00 65.43 C ATOM 1292 CG GLN A 88 -26.784 11.433 -8.606 1.00 24.41 C ATOM 1293 CD GLN A 88 -27.265 11.543 -10.041 1.00 24.41 C ATOM 1294 OE1 GLN A 88 -26.487 11.416 -10.980 1.00 23.44 O ATOM 1295 NE2 GLN A 88 -28.526 11.779 -10.215 1.00 61.52 N ATOM 0 H GLN A 88 -25.862 7.890 -6.372 1.00 75.40 H new ATOM 0 HA GLN A 88 -24.882 10.642 -6.828 1.00 4.43 H new ATOM 0 HB2 GLN A 88 -25.681 9.665 -9.009 1.00 65.43 H new ATOM 0 HB3 GLN A 88 -27.243 9.389 -8.264 1.00 65.43 H new ATOM 0 HG2 GLN A 88 -27.579 11.756 -7.934 1.00 24.41 H new ATOM 0 HG3 GLN A 88 -25.944 12.111 -8.455 1.00 24.41 H new ATOM 0 HE21 GLN A 88 -29.142 11.878 -9.408 1.00 61.52 H new ATOM 0 HE22 GLN A 88 -28.903 11.865 -11.159 1.00 61.52 H new ATOM 1304 N PHE A 89 -26.576 11.382 -5.187 1.00 24.45 N ATOM 1305 CA PHE A 89 -27.426 11.790 -4.067 1.00 33.34 C ATOM 1306 C PHE A 89 -28.787 12.245 -4.585 1.00 42.41 C ATOM 1307 O PHE A 89 -28.870 13.172 -5.395 1.00 72.34 O ATOM 1308 CB PHE A 89 -26.735 12.938 -3.310 1.00 23.22 C ATOM 1309 CG PHE A 89 -27.448 13.372 -2.059 1.00 2.24 C ATOM 1310 CD1 PHE A 89 -28.446 14.356 -2.101 1.00 64.41 C ATOM 1311 CD2 PHE A 89 -27.108 12.812 -0.818 1.00 52.22 C ATOM 1312 CE1 PHE A 89 -29.110 14.772 -0.947 1.00 24.33 C ATOM 1313 CE2 PHE A 89 -27.767 13.219 0.374 1.00 12.34 C ATOM 1314 CZ PHE A 89 -28.788 14.199 0.299 1.00 21.54 C ATOM 0 H PHE A 89 -25.915 12.098 -5.489 1.00 24.45 H new ATOM 0 HA PHE A 89 -27.577 10.947 -3.393 1.00 33.34 H new ATOM 0 HB2 PHE A 89 -25.723 12.628 -3.049 1.00 23.22 H new ATOM 0 HB3 PHE A 89 -26.643 13.795 -3.978 1.00 23.22 H new ATOM 0 HD1 PHE A 89 -28.707 14.802 -3.049 1.00 64.41 H new ATOM 0 HD2 PHE A 89 -26.334 12.060 -0.768 1.00 52.22 H new ATOM 0 HE1 PHE A 89 -29.872 15.535 -1.009 1.00 24.33 H new ATOM 0 HE2 PHE A 89 -27.493 12.787 1.325 1.00 12.34 H new ATOM 0 HZ PHE A 89 -29.315 14.504 1.191 1.00 21.54 H new ATOM 1324 N GLU A 90 -29.832 11.599 -4.106 1.00 14.21 N ATOM 1325 CA GLU A 90 -31.199 11.964 -4.456 1.00 21.12 C ATOM 1326 C GLU A 90 -31.557 13.230 -3.672 1.00 22.11 C ATOM 1327 O GLU A 90 -31.225 13.346 -2.485 1.00 30.23 O ATOM 1328 CB GLU A 90 -32.133 10.811 -4.111 1.00 44.34 C ATOM 1329 CG GLU A 90 -33.541 10.979 -4.679 1.00 12.25 C ATOM 1330 CD GLU A 90 -34.336 9.689 -4.620 1.00 3.44 C ATOM 1331 OE1 GLU A 90 -34.250 9.000 -3.588 1.00 53.41 O ATOM 1332 OE2 GLU A 90 -34.973 9.301 -5.626 1.00 10.44 O ATOM 0 H GLU A 90 -29.763 10.808 -3.465 1.00 14.21 H new ATOM 0 HA GLU A 90 -31.298 12.161 -5.523 1.00 21.12 H new ATOM 0 HB2 GLU A 90 -31.706 9.882 -4.488 1.00 44.34 H new ATOM 0 HB3 GLU A 90 -32.196 10.716 -3.027 1.00 44.34 H new ATOM 0 HG2 GLU A 90 -34.067 11.754 -4.121 1.00 12.25 H new ATOM 0 HG3 GLU A 90 -33.477 11.318 -5.713 1.00 12.25 H new ATOM 1339 N LYS A 91 -32.164 14.193 -4.360 1.00 75.40 N ATOM 1340 CA LYS A 91 -32.519 15.473 -3.764 1.00 52.24 C ATOM 1341 C LYS A 91 -33.876 15.371 -3.070 1.00 20.54 C ATOM 1342 O LYS A 91 -34.018 16.057 -2.031 1.00 61.33 O ATOM 1343 CB LYS A 91 -32.629 16.558 -4.848 1.00 51.11 C ATOM 1344 CG LYS A 91 -31.406 17.474 -4.926 1.00 63.43 C ATOM 1345 CD LYS A 91 -30.160 16.762 -5.427 1.00 54.23 C ATOM 1346 CE LYS A 91 -28.965 17.675 -5.439 1.00 41.15 C ATOM 1347 NZ LYS A 91 -28.666 18.146 -4.036 1.00 72.14 N ATOM 0 H LYS A 91 -32.422 14.107 -5.343 1.00 75.40 H new ATOM 0 HA LYS A 91 -31.741 15.734 -3.047 1.00 52.24 H new ATOM 0 HB2 LYS A 91 -32.776 16.079 -5.816 1.00 51.11 H new ATOM 0 HB3 LYS A 91 -33.514 17.164 -4.655 1.00 51.11 H new ATOM 0 HG2 LYS A 91 -31.629 18.312 -5.586 1.00 63.43 H new ATOM 0 HG3 LYS A 91 -31.207 17.890 -3.938 1.00 63.43 H new ATOM 0 HD2 LYS A 91 -29.953 15.900 -4.792 1.00 54.23 H new ATOM 0 HD3 LYS A 91 -30.338 16.382 -6.433 1.00 54.23 H new ATOM 0 HE2 LYS A 91 -28.101 17.152 -5.849 1.00 41.15 H new ATOM 0 HE3 LYS A 91 -29.156 18.531 -6.087 1.00 41.15 H new ATOM 0 HZ1 LYS A 91 -27.683 18.481 -3.985 1.00 72.14 H new ATOM 0 HZ2 LYS A 91 -29.310 18.923 -3.786 1.00 72.14 H new ATOM 0 HZ3 LYS A 91 -28.798 17.358 -3.370 1.00 72.14 H new TER 1361 LYS A 91