USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 ASN : amide:sc= -1.86 K(o=-4.4,f=-2.5) USER MOD Set 1.2: A 73 GLN : amide:sc= -2.1 K(o=-4.4,f=-2.9) USER MOD Set 1.3: A 82 TYR OH : rot 88:sc= -0.432 USER MOD Set 2.1: A 3 GLN : amide:sc= 0.0268 X(o=0.1,f=-0.23) USER MOD Set 2.2: A 41 THR OG1 : rot -151:sc= 0.0733 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.1 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -36:sc= 0.00313 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00144 K(o=-0.0014,f=-0.9) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -99:sc= 1.25 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc=0.000619 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 77 ASN : amide:sc= -0.495 X(o=-0.49,f=-0.045) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.956 3.814 4.300 1.00 45.40 N ATOM 2 CA MET A 1 4.677 2.553 3.624 1.00 74.10 C ATOM 3 C MET A 1 5.172 2.588 2.182 1.00 74.55 C ATOM 4 O MET A 1 5.589 3.633 1.684 1.00 62.03 O ATOM 5 CB MET A 1 3.176 2.256 3.654 1.00 61.25 C ATOM 6 CG MET A 1 2.664 1.852 5.026 1.00 34.43 C ATOM 7 SD MET A 1 1.357 2.939 5.628 1.00 44.20 S ATOM 8 CE MET A 1 0.304 1.766 6.477 1.00 73.42 C ATOM 0 H1 MET A 1 5.569 3.639 5.121 1.00 45.40 H new ATOM 0 H2 MET A 1 5.435 4.462 3.642 1.00 45.40 H new ATOM 0 H3 MET A 1 4.063 4.242 4.619 1.00 45.40 H new ATOM 0 HA MET A 1 5.208 1.761 4.152 1.00 74.10 H new ATOM 0 HB2 MET A 1 2.632 3.139 3.318 1.00 61.25 H new ATOM 0 HB3 MET A 1 2.958 1.458 2.944 1.00 61.25 H new ATOM 0 HG2 MET A 1 2.289 0.829 4.983 1.00 34.43 H new ATOM 0 HG3 MET A 1 3.492 1.859 5.735 1.00 34.43 H new ATOM 0 HE1 MET A 1 -0.552 2.288 6.905 1.00 73.42 H new ATOM 0 HE2 MET A 1 -0.046 1.014 5.770 1.00 73.42 H new ATOM 0 HE3 MET A 1 0.868 1.281 7.274 1.00 73.42 H new ATOM 18 N SER A 2 5.122 1.438 1.516 1.00 41.12 N ATOM 19 CA SER A 2 5.570 1.337 0.132 1.00 74.44 C ATOM 20 C SER A 2 4.380 1.215 -0.816 1.00 62.32 C ATOM 21 O SER A 2 3.430 0.481 -0.545 1.00 24.21 O ATOM 22 CB SER A 2 6.498 0.133 -0.039 1.00 61.24 C ATOM 23 OG SER A 2 7.621 0.229 0.819 1.00 3.11 O ATOM 0 H SER A 2 4.776 0.564 1.912 1.00 41.12 H new ATOM 0 HA SER A 2 6.118 2.247 -0.115 1.00 74.44 H new ATOM 0 HB2 SER A 2 5.951 -0.785 0.175 1.00 61.24 H new ATOM 0 HB3 SER A 2 6.832 0.071 -1.075 1.00 61.24 H new ATOM 0 HG SER A 2 8.198 -0.553 0.692 1.00 3.11 H new ATOM 29 N GLN A 3 4.441 1.940 -1.928 1.00 63.45 N ATOM 30 CA GLN A 3 3.369 1.914 -2.917 1.00 23.55 C ATOM 31 C GLN A 3 3.780 2.655 -4.185 1.00 33.33 C ATOM 32 O GLN A 3 4.571 3.595 -4.137 1.00 11.43 O ATOM 33 CB GLN A 3 2.098 2.536 -2.337 1.00 33.50 C ATOM 34 CG GLN A 3 0.833 2.141 -3.082 1.00 60.24 C ATOM 35 CD GLN A 3 -0.213 1.528 -2.173 1.00 15.24 C ATOM 36 OE1 GLN A 3 -0.926 2.237 -1.462 1.00 13.23 O ATOM 37 NE2 GLN A 3 -0.312 0.204 -2.190 1.00 43.13 N ATOM 0 H GLN A 3 5.221 2.553 -2.167 1.00 63.45 H new ATOM 0 HA GLN A 3 3.171 0.874 -3.175 1.00 23.55 H new ATOM 0 HB2 GLN A 3 2.002 2.239 -1.293 1.00 33.50 H new ATOM 0 HB3 GLN A 3 2.195 3.622 -2.352 1.00 33.50 H new ATOM 0 HG2 GLN A 3 0.414 3.021 -3.570 1.00 60.24 H new ATOM 0 HG3 GLN A 3 1.086 1.430 -3.869 1.00 60.24 H new ATOM 0 HE21 GLN A 3 0.299 -0.345 -2.794 1.00 43.13 H new ATOM 0 HE22 GLN A 3 -0.999 -0.264 -1.599 1.00 43.13 H new ATOM 46 N ASN A 4 3.236 2.223 -5.318 1.00 43.44 N ATOM 47 CA ASN A 4 3.547 2.846 -6.600 1.00 60.12 C ATOM 48 C ASN A 4 2.663 4.066 -6.841 1.00 4.13 C ATOM 49 O ASN A 4 1.452 3.942 -7.019 1.00 23.40 O ATOM 50 CB ASN A 4 3.365 1.838 -7.737 1.00 42.53 C ATOM 51 CG ASN A 4 4.472 0.802 -7.774 1.00 34.02 C ATOM 52 OD1 ASN A 4 4.251 -0.369 -7.466 1.00 75.31 O ATOM 53 ND2 ASN A 4 5.671 1.230 -8.151 1.00 73.13 N ATOM 0 H ASN A 4 2.579 1.445 -5.375 1.00 43.44 H new ATOM 0 HA ASN A 4 4.587 3.172 -6.575 1.00 60.12 H new ATOM 0 HB2 ASN A 4 2.404 1.335 -7.623 1.00 42.53 H new ATOM 0 HB3 ASN A 4 3.336 2.369 -8.688 1.00 42.53 H new ATOM 0 HD21 ASN A 4 6.455 0.579 -8.194 1.00 73.13 H new ATOM 0 HD22 ASN A 4 5.808 2.210 -8.398 1.00 73.13 H new ATOM 60 N GLU A 5 3.279 5.244 -6.845 1.00 0.44 N ATOM 61 CA GLU A 5 2.548 6.487 -7.063 1.00 73.21 C ATOM 62 C GLU A 5 2.411 6.783 -8.554 1.00 33.51 C ATOM 63 O GLU A 5 2.923 7.787 -9.047 1.00 61.41 O ATOM 64 CB GLU A 5 3.254 7.650 -6.364 1.00 43.21 C ATOM 65 CG GLU A 5 3.370 7.476 -4.859 1.00 42.11 C ATOM 66 CD GLU A 5 4.779 7.713 -4.351 1.00 41.22 C ATOM 67 OE1 GLU A 5 4.963 8.625 -3.517 1.00 71.33 O ATOM 68 OE2 GLU A 5 5.697 6.988 -4.787 1.00 45.32 O ATOM 0 H GLU A 5 4.282 5.364 -6.700 1.00 0.44 H new ATOM 0 HA GLU A 5 1.550 6.370 -6.640 1.00 73.21 H new ATOM 0 HB2 GLU A 5 4.252 7.764 -6.786 1.00 43.21 H new ATOM 0 HB3 GLU A 5 2.712 8.572 -6.574 1.00 43.21 H new ATOM 0 HG2 GLU A 5 2.688 8.167 -4.364 1.00 42.11 H new ATOM 0 HG3 GLU A 5 3.055 6.468 -4.588 1.00 42.11 H new ATOM 75 N GLU A 6 1.716 5.900 -9.265 1.00 30.21 N ATOM 76 CA GLU A 6 1.513 6.066 -10.699 1.00 70.44 C ATOM 77 C GLU A 6 0.294 5.277 -11.171 1.00 44.51 C ATOM 78 O GLU A 6 0.424 4.183 -11.718 1.00 73.14 O ATOM 79 CB GLU A 6 2.756 5.613 -11.469 1.00 32.14 C ATOM 80 CG GLU A 6 3.304 4.273 -11.006 1.00 12.44 C ATOM 81 CD GLU A 6 3.865 3.447 -12.146 1.00 41.14 C ATOM 82 OE1 GLU A 6 4.901 2.780 -11.941 1.00 72.11 O ATOM 83 OE2 GLU A 6 3.270 3.468 -13.244 1.00 33.43 O ATOM 0 H GLU A 6 1.285 5.064 -8.871 1.00 30.21 H new ATOM 0 HA GLU A 6 1.338 7.124 -10.895 1.00 70.44 H new ATOM 0 HB2 GLU A 6 2.513 5.550 -12.530 1.00 32.14 H new ATOM 0 HB3 GLU A 6 3.534 6.370 -11.365 1.00 32.14 H new ATOM 0 HG2 GLU A 6 4.086 4.441 -10.265 1.00 12.44 H new ATOM 0 HG3 GLU A 6 2.511 3.712 -10.512 1.00 12.44 H new ATOM 90 N ALA A 7 -0.889 5.843 -10.954 1.00 22.51 N ATOM 91 CA ALA A 7 -2.130 5.195 -11.357 1.00 74.54 C ATOM 92 C ALA A 7 -2.359 5.333 -12.859 1.00 15.44 C ATOM 93 O ALA A 7 -1.785 6.198 -13.521 1.00 72.32 O ATOM 94 CB ALA A 7 -3.305 5.778 -10.586 1.00 71.12 C ATOM 0 H ALA A 7 -1.013 6.749 -10.501 1.00 22.51 H new ATOM 0 HA ALA A 7 -2.048 4.133 -11.124 1.00 74.54 H new ATOM 0 HB1 ALA A 7 -4.226 5.284 -10.898 1.00 71.12 H new ATOM 0 HB2 ALA A 7 -3.153 5.622 -9.518 1.00 71.12 H new ATOM 0 HB3 ALA A 7 -3.380 6.846 -10.789 1.00 71.12 H new ATOM 100 N PRO A 8 -3.218 4.463 -13.410 1.00 62.32 N ATOM 101 CA PRO A 8 -3.542 4.468 -14.840 1.00 0.42 C ATOM 102 C PRO A 8 -4.366 5.686 -15.242 1.00 53.44 C ATOM 103 O PRO A 8 -4.071 6.346 -16.238 1.00 44.03 O ATOM 104 CB PRO A 8 -4.358 3.186 -15.024 1.00 4.14 C ATOM 105 CG PRO A 8 -4.947 2.917 -13.682 1.00 74.24 C ATOM 106 CD PRO A 8 -3.938 3.406 -12.680 1.00 74.05 C ATOM 0 HA PRO A 8 -2.647 4.512 -15.461 1.00 0.42 H new ATOM 0 HB2 PRO A 8 -5.134 3.315 -15.778 1.00 4.14 H new ATOM 0 HB3 PRO A 8 -3.728 2.359 -15.353 1.00 4.14 H new ATOM 0 HG2 PRO A 8 -5.898 3.436 -13.563 1.00 74.24 H new ATOM 0 HG3 PRO A 8 -5.145 1.853 -13.549 1.00 74.24 H new ATOM 0 HD2 PRO A 8 -4.419 3.794 -11.782 1.00 74.05 H new ATOM 0 HD3 PRO A 8 -3.267 2.608 -12.363 1.00 74.05 H new ATOM 114 N ALA A 9 -5.401 5.979 -14.462 1.00 11.24 N ATOM 115 CA ALA A 9 -6.266 7.120 -14.736 1.00 34.30 C ATOM 116 C ALA A 9 -6.825 7.057 -16.154 1.00 22.44 C ATOM 117 O ALA A 9 -7.111 8.086 -16.765 1.00 4.54 O ATOM 118 CB ALA A 9 -5.508 8.421 -14.523 1.00 3.21 C ATOM 0 H ALA A 9 -5.661 5.442 -13.635 1.00 11.24 H new ATOM 0 HA ALA A 9 -7.105 7.084 -14.041 1.00 34.30 H new ATOM 0 HB1 ALA A 9 -6.167 9.264 -14.731 1.00 3.21 H new ATOM 0 HB2 ALA A 9 -5.163 8.476 -13.490 1.00 3.21 H new ATOM 0 HB3 ALA A 9 -4.650 8.456 -15.194 1.00 3.21 H new ATOM 124 N ARG A 10 -6.977 5.842 -16.671 1.00 51.11 N ATOM 125 CA ARG A 10 -7.500 5.645 -18.018 1.00 4.51 C ATOM 126 C ARG A 10 -8.864 4.964 -17.978 1.00 31.44 C ATOM 127 O ARG A 10 -9.869 5.539 -18.394 1.00 14.22 O ATOM 128 CB ARG A 10 -6.524 4.810 -18.849 1.00 54.03 C ATOM 129 CG ARG A 10 -5.221 5.527 -19.162 1.00 30.04 C ATOM 130 CD ARG A 10 -4.773 5.270 -20.592 1.00 3.02 C ATOM 131 NE ARG A 10 -3.364 4.893 -20.664 1.00 63.33 N ATOM 132 CZ ARG A 10 -2.771 4.474 -21.777 1.00 74.01 C ATOM 133 NH1 ARG A 10 -3.462 4.380 -22.905 1.00 33.12 N ATOM 134 NH2 ARG A 10 -1.485 4.149 -21.763 1.00 70.24 N ATOM 0 H ARG A 10 -6.746 4.980 -16.178 1.00 51.11 H new ATOM 0 HA ARG A 10 -7.617 6.624 -18.482 1.00 4.51 H new ATOM 0 HB2 ARG A 10 -6.301 3.887 -18.313 1.00 54.03 H new ATOM 0 HB3 ARG A 10 -7.007 4.527 -19.784 1.00 54.03 H new ATOM 0 HG2 ARG A 10 -5.348 6.598 -19.006 1.00 30.04 H new ATOM 0 HG3 ARG A 10 -4.446 5.194 -18.471 1.00 30.04 H new ATOM 0 HD2 ARG A 10 -5.383 4.478 -21.026 1.00 3.02 H new ATOM 0 HD3 ARG A 10 -4.940 6.165 -21.191 1.00 3.02 H new ATOM 0 HE ARG A 10 -2.804 4.955 -19.813 1.00 63.33 H new ATOM 0 HH11 ARG A 10 -4.451 4.630 -22.920 1.00 33.12 H new ATOM 0 HH12 ARG A 10 -3.005 4.058 -23.758 1.00 33.12 H new ATOM 0 HH21 ARG A 10 -0.950 4.221 -20.897 1.00 70.24 H new ATOM 0 HH22 ARG A 10 -1.031 3.827 -22.618 1.00 70.24 H new ATOM 148 N SER A 11 -8.891 3.734 -17.474 1.00 64.32 N ATOM 149 CA SER A 11 -10.130 2.971 -17.384 1.00 14.44 C ATOM 150 C SER A 11 -10.913 3.354 -16.131 1.00 24.43 C ATOM 151 O SER A 11 -10.474 3.100 -15.010 1.00 3.23 O ATOM 152 CB SER A 11 -9.832 1.471 -17.374 1.00 62.03 C ATOM 153 OG SER A 11 -10.120 0.886 -18.632 1.00 75.22 O ATOM 0 H SER A 11 -8.068 3.245 -17.122 1.00 64.32 H new ATOM 0 HA SER A 11 -10.737 3.207 -18.258 1.00 14.44 H new ATOM 0 HB2 SER A 11 -8.784 1.307 -17.124 1.00 62.03 H new ATOM 0 HB3 SER A 11 -10.424 0.984 -16.599 1.00 62.03 H new ATOM 0 HG SER A 11 -9.920 -0.073 -18.600 1.00 75.22 H new ATOM 159 N GLY A 12 -12.076 3.966 -16.331 1.00 1.05 N ATOM 160 CA GLY A 12 -12.902 4.374 -15.209 1.00 43.01 C ATOM 161 C GLY A 12 -13.369 5.811 -15.326 1.00 3.43 C ATOM 162 O GLY A 12 -13.294 6.411 -16.397 1.00 74.45 O ATOM 0 H GLY A 12 -12.461 4.187 -17.249 1.00 1.05 H new ATOM 0 HA2 GLY A 12 -13.770 3.717 -15.143 1.00 43.01 H new ATOM 0 HA3 GLY A 12 -12.339 4.252 -14.284 1.00 43.01 H new ATOM 166 N GLY A 13 -13.854 6.366 -14.219 1.00 3.21 N ATOM 167 CA GLY A 13 -14.329 7.737 -14.224 1.00 15.25 C ATOM 168 C GLY A 13 -13.221 8.737 -13.958 1.00 30.50 C ATOM 169 O GLY A 13 -12.049 8.368 -13.875 1.00 51.21 O ATOM 0 H GLY A 13 -13.926 5.891 -13.319 1.00 3.21 H new ATOM 0 HA2 GLY A 13 -14.787 7.956 -15.188 1.00 15.25 H new ATOM 0 HA3 GLY A 13 -15.106 7.851 -13.468 1.00 15.25 H new ATOM 173 N LYS A 14 -13.590 10.006 -13.826 1.00 33.03 N ATOM 174 CA LYS A 14 -12.619 11.063 -13.569 1.00 33.15 C ATOM 175 C LYS A 14 -13.146 12.044 -12.526 1.00 32.21 C ATOM 176 O LYS A 14 -14.315 12.429 -12.556 1.00 71.20 O ATOM 177 CB LYS A 14 -12.290 11.808 -14.864 1.00 70.53 C ATOM 178 CG LYS A 14 -10.961 12.541 -14.823 1.00 65.13 C ATOM 179 CD LYS A 14 -10.246 12.475 -16.163 1.00 23.45 C ATOM 180 CE LYS A 14 -8.879 11.819 -16.033 1.00 51.40 C ATOM 181 NZ LYS A 14 -7.857 12.768 -15.511 1.00 24.34 N ATOM 0 H LYS A 14 -14.556 10.328 -13.893 1.00 33.03 H new ATOM 0 HA LYS A 14 -11.711 10.601 -13.182 1.00 33.15 H new ATOM 0 HB2 LYS A 14 -12.278 11.096 -15.690 1.00 70.53 H new ATOM 0 HB3 LYS A 14 -13.084 12.525 -15.073 1.00 70.53 H new ATOM 0 HG2 LYS A 14 -11.127 13.583 -14.549 1.00 65.13 H new ATOM 0 HG3 LYS A 14 -10.328 12.106 -14.050 1.00 65.13 H new ATOM 0 HD2 LYS A 14 -10.854 11.915 -16.874 1.00 23.45 H new ATOM 0 HD3 LYS A 14 -10.131 13.481 -16.565 1.00 23.45 H new ATOM 0 HE2 LYS A 14 -8.950 10.959 -15.367 1.00 51.40 H new ATOM 0 HE3 LYS A 14 -8.562 11.443 -17.006 1.00 51.40 H new ATOM 0 HZ1 LYS A 14 -6.940 12.284 -15.437 1.00 24.34 H new ATOM 0 HZ2 LYS A 14 -7.770 13.576 -16.160 1.00 24.34 H new ATOM 0 HZ3 LYS A 14 -8.146 13.108 -14.572 1.00 24.34 H new ATOM 195 N VAL A 15 -12.276 12.446 -11.605 1.00 61.11 N ATOM 196 CA VAL A 15 -12.653 13.384 -10.555 1.00 0.22 C ATOM 197 C VAL A 15 -11.450 14.192 -10.082 1.00 2.13 C ATOM 198 O VAL A 15 -10.343 13.666 -9.961 1.00 3.31 O ATOM 199 CB VAL A 15 -13.275 12.656 -9.348 1.00 61.14 C ATOM 200 CG1 VAL A 15 -12.331 11.583 -8.827 1.00 42.41 C ATOM 201 CG2 VAL A 15 -13.626 13.649 -8.250 1.00 63.44 C ATOM 0 H VAL A 15 -11.305 12.136 -11.565 1.00 61.11 H new ATOM 0 HA VAL A 15 -13.394 14.058 -10.984 1.00 0.22 H new ATOM 0 HB VAL A 15 -14.195 12.170 -9.673 1.00 61.14 H new ATOM 0 HG11 VAL A 15 -12.787 11.080 -7.975 1.00 42.41 H new ATOM 0 HG12 VAL A 15 -12.135 10.856 -9.616 1.00 42.41 H new ATOM 0 HG13 VAL A 15 -11.393 12.043 -8.517 1.00 42.41 H new ATOM 0 HG21 VAL A 15 -14.064 13.118 -7.405 1.00 63.44 H new ATOM 0 HG22 VAL A 15 -12.723 14.166 -7.925 1.00 63.44 H new ATOM 0 HG23 VAL A 15 -14.342 14.376 -8.632 1.00 63.44 H new ATOM 211 N THR A 16 -11.673 15.475 -9.814 1.00 34.00 N ATOM 212 CA THR A 16 -10.608 16.357 -9.354 1.00 70.14 C ATOM 213 C THR A 16 -10.987 17.042 -8.046 1.00 71.14 C ATOM 214 O THR A 16 -12.056 17.644 -7.936 1.00 64.41 O ATOM 215 CB THR A 16 -10.276 17.432 -10.406 1.00 63.03 C ATOM 216 OG1 THR A 16 -10.993 17.171 -11.618 1.00 33.44 O ATOM 217 CG2 THR A 16 -8.782 17.465 -10.693 1.00 11.32 C ATOM 0 H THR A 16 -12.583 15.926 -9.908 1.00 34.00 H new ATOM 0 HA THR A 16 -9.729 15.733 -9.192 1.00 70.14 H new ATOM 0 HB THR A 16 -10.576 18.402 -10.009 1.00 63.03 H new ATOM 0 HG1 THR A 16 -10.777 17.860 -12.281 1.00 33.44 H new ATOM 0 HG21 THR A 16 -8.572 18.232 -11.439 1.00 11.32 H new ATOM 0 HG22 THR A 16 -8.240 17.693 -9.775 1.00 11.32 H new ATOM 0 HG23 THR A 16 -8.463 16.494 -11.071 1.00 11.32 H new ATOM 225 N PHE A 17 -10.105 16.947 -7.057 1.00 41.41 N ATOM 226 CA PHE A 17 -10.348 17.558 -5.755 1.00 44.44 C ATOM 227 C PHE A 17 -9.324 18.653 -5.469 1.00 53.53 C ATOM 228 O PHE A 17 -8.129 18.479 -5.707 1.00 72.54 O ATOM 229 CB PHE A 17 -10.298 16.498 -4.653 1.00 73.05 C ATOM 230 CG PHE A 17 -11.392 15.474 -4.757 1.00 52.05 C ATOM 231 CD1 PHE A 17 -12.723 15.851 -4.670 1.00 24.11 C ATOM 232 CD2 PHE A 17 -11.090 14.134 -4.942 1.00 40.53 C ATOM 233 CE1 PHE A 17 -13.732 14.911 -4.766 1.00 2.24 C ATOM 234 CE2 PHE A 17 -12.095 13.190 -5.039 1.00 43.51 C ATOM 235 CZ PHE A 17 -13.417 13.579 -4.949 1.00 52.04 C ATOM 0 H PHE A 17 -9.216 16.453 -7.132 1.00 41.41 H new ATOM 0 HA PHE A 17 -11.341 18.008 -5.772 1.00 44.44 H new ATOM 0 HB2 PHE A 17 -9.333 15.992 -4.690 1.00 73.05 H new ATOM 0 HB3 PHE A 17 -10.363 16.990 -3.683 1.00 73.05 H new ATOM 0 HD1 PHE A 17 -12.975 16.891 -4.526 1.00 24.11 H new ATOM 0 HD2 PHE A 17 -10.058 13.824 -5.011 1.00 40.53 H new ATOM 0 HE1 PHE A 17 -14.765 15.218 -4.698 1.00 2.24 H new ATOM 0 HE2 PHE A 17 -11.847 12.149 -5.185 1.00 43.51 H new ATOM 0 HZ PHE A 17 -14.204 12.842 -5.022 1.00 52.04 H new ATOM 245 N ARG A 18 -9.803 19.783 -4.958 1.00 24.14 N ATOM 246 CA ARG A 18 -8.931 20.907 -4.640 1.00 43.54 C ATOM 247 C ARG A 18 -8.774 21.065 -3.131 1.00 23.22 C ATOM 248 O ARG A 18 -9.742 21.339 -2.422 1.00 12.15 O ATOM 249 CB ARG A 18 -9.488 22.198 -5.243 1.00 51.33 C ATOM 250 CG ARG A 18 -9.238 22.331 -6.737 1.00 30.34 C ATOM 251 CD ARG A 18 -10.386 23.044 -7.433 1.00 13.43 C ATOM 252 NE ARG A 18 -10.208 23.085 -8.882 1.00 23.14 N ATOM 253 CZ ARG A 18 -10.939 23.843 -9.691 1.00 61.12 C ATOM 254 NH1 ARG A 18 -11.893 24.619 -9.196 1.00 44.50 N ATOM 255 NH2 ARG A 18 -10.716 23.825 -10.999 1.00 52.32 N ATOM 0 H ARG A 18 -10.790 19.944 -4.756 1.00 24.14 H new ATOM 0 HA ARG A 18 -7.950 20.706 -5.070 1.00 43.54 H new ATOM 0 HB2 ARG A 18 -10.561 22.242 -5.058 1.00 51.33 H new ATOM 0 HB3 ARG A 18 -9.041 23.050 -4.731 1.00 51.33 H new ATOM 0 HG2 ARG A 18 -8.312 22.881 -6.904 1.00 30.34 H new ATOM 0 HG3 ARG A 18 -9.105 21.341 -7.174 1.00 30.34 H new ATOM 0 HD2 ARG A 18 -11.323 22.539 -7.197 1.00 13.43 H new ATOM 0 HD3 ARG A 18 -10.467 24.061 -7.049 1.00 13.43 H new ATOM 0 HE ARG A 18 -9.482 22.499 -9.295 1.00 23.14 H new ATOM 0 HH11 ARG A 18 -12.067 24.635 -8.191 1.00 44.50 H new ATOM 0 HH12 ARG A 18 -12.453 25.200 -9.820 1.00 44.50 H new ATOM 0 HH21 ARG A 18 -9.983 23.229 -11.383 1.00 52.32 H new ATOM 0 HH22 ARG A 18 -11.278 24.407 -11.620 1.00 52.32 H new ATOM 269 N ILE A 19 -7.549 20.889 -2.647 1.00 63.11 N ATOM 270 CA ILE A 19 -7.265 21.012 -1.223 1.00 35.14 C ATOM 271 C ILE A 19 -6.339 22.191 -0.946 1.00 50.22 C ATOM 272 O ILE A 19 -5.269 22.306 -1.544 1.00 41.25 O ATOM 273 CB ILE A 19 -6.625 19.728 -0.663 1.00 42.01 C ATOM 274 CG1 ILE A 19 -5.468 19.278 -1.558 1.00 30.44 C ATOM 275 CG2 ILE A 19 -7.667 18.626 -0.540 1.00 43.24 C ATOM 276 CD1 ILE A 19 -4.767 18.033 -1.059 1.00 14.34 C ATOM 0 H ILE A 19 -6.737 20.661 -3.221 1.00 63.11 H new ATOM 0 HA ILE A 19 -8.220 21.179 -0.725 1.00 35.14 H new ATOM 0 HB ILE A 19 -6.231 19.939 0.331 1.00 42.01 H new ATOM 0 HG12 ILE A 19 -5.847 19.094 -2.563 1.00 30.44 H new ATOM 0 HG13 ILE A 19 -4.742 20.088 -1.635 1.00 30.44 H new ATOM 0 HG21 ILE A 19 -7.199 17.725 -0.143 1.00 43.24 H new ATOM 0 HG22 ILE A 19 -8.461 18.949 0.133 1.00 43.24 H new ATOM 0 HG23 ILE A 19 -8.089 18.413 -1.522 1.00 43.24 H new ATOM 0 HD11 ILE A 19 -3.958 17.772 -1.742 1.00 14.34 H new ATOM 0 HD12 ILE A 19 -4.358 18.219 -0.066 1.00 14.34 H new ATOM 0 HD13 ILE A 19 -5.479 17.210 -1.009 1.00 14.34 H new ATOM 288 N ILE A 20 -6.757 23.064 -0.035 1.00 64.43 N ATOM 289 CA ILE A 20 -5.963 24.232 0.323 1.00 43.53 C ATOM 290 C ILE A 20 -5.292 24.047 1.679 1.00 21.15 C ATOM 291 O ILE A 20 -5.959 23.803 2.686 1.00 63.31 O ATOM 292 CB ILE A 20 -6.824 25.509 0.359 1.00 72.41 C ATOM 293 CG1 ILE A 20 -7.673 25.613 -0.910 1.00 0.31 C ATOM 294 CG2 ILE A 20 -5.943 26.739 0.516 1.00 64.51 C ATOM 295 CD1 ILE A 20 -6.855 25.660 -2.182 1.00 33.13 C ATOM 0 H ILE A 20 -7.641 22.984 0.468 1.00 64.43 H new ATOM 0 HA ILE A 20 -5.198 24.340 -0.446 1.00 43.53 H new ATOM 0 HB ILE A 20 -7.493 25.454 1.218 1.00 72.41 H new ATOM 0 HG12 ILE A 20 -8.351 24.761 -0.955 1.00 0.31 H new ATOM 0 HG13 ILE A 20 -8.291 26.509 -0.852 1.00 0.31 H new ATOM 0 HG21 ILE A 20 -6.567 27.633 0.540 1.00 64.51 H new ATOM 0 HG22 ILE A 20 -5.378 26.666 1.445 1.00 64.51 H new ATOM 0 HG23 ILE A 20 -5.252 26.801 -0.325 1.00 64.51 H new ATOM 0 HD11 ILE A 20 -7.522 25.734 -3.041 1.00 33.13 H new ATOM 0 HD12 ILE A 20 -6.196 26.528 -2.159 1.00 33.13 H new ATOM 0 HD13 ILE A 20 -6.257 24.752 -2.264 1.00 33.13 H new ATOM 307 N LEU A 21 -3.969 24.166 1.700 1.00 20.12 N ATOM 308 CA LEU A 21 -3.206 24.013 2.934 1.00 13.34 C ATOM 309 C LEU A 21 -2.870 25.373 3.539 1.00 73.14 C ATOM 310 O LEU A 21 -2.781 26.375 2.829 1.00 42.42 O ATOM 311 CB LEU A 21 -1.920 23.229 2.669 1.00 74.42 C ATOM 312 CG LEU A 21 -1.888 21.795 3.199 1.00 65.43 C ATOM 313 CD1 LEU A 21 -0.729 21.025 2.584 1.00 5.05 C ATOM 314 CD2 LEU A 21 -1.789 21.789 4.717 1.00 5.32 C ATOM 0 H LEU A 21 -3.402 24.368 0.876 1.00 20.12 H new ATOM 0 HA LEU A 21 -3.821 23.461 3.645 1.00 13.34 H new ATOM 0 HB2 LEU A 21 -1.750 23.201 1.593 1.00 74.42 H new ATOM 0 HB3 LEU A 21 -1.087 23.777 3.109 1.00 74.42 H new ATOM 0 HG LEU A 21 -2.817 21.302 2.914 1.00 65.43 H new ATOM 0 HD11 LEU A 21 -0.722 20.007 2.973 1.00 5.05 H new ATOM 0 HD12 LEU A 21 -0.844 20.999 1.500 1.00 5.05 H new ATOM 0 HD13 LEU A 21 0.210 21.517 2.838 1.00 5.05 H new ATOM 0 HD21 LEU A 21 -1.767 20.760 5.076 1.00 5.32 H new ATOM 0 HD22 LEU A 21 -0.876 22.300 5.024 1.00 5.32 H new ATOM 0 HD23 LEU A 21 -2.652 22.303 5.140 1.00 5.32 H new ATOM 326 N THR A 22 -2.683 25.400 4.854 1.00 3.25 N ATOM 327 CA THR A 22 -2.355 26.636 5.554 1.00 33.14 C ATOM 328 C THR A 22 -0.849 26.781 5.739 1.00 31.40 C ATOM 329 O THR A 22 -0.336 27.890 5.887 1.00 60.23 O ATOM 330 CB THR A 22 -3.038 26.698 6.934 1.00 55.24 C ATOM 331 OG1 THR A 22 -2.527 25.664 7.781 1.00 23.40 O ATOM 332 CG2 THR A 22 -4.546 26.550 6.798 1.00 53.02 C ATOM 0 H THR A 22 -2.753 24.580 5.456 1.00 3.25 H new ATOM 0 HA THR A 22 -2.723 27.456 4.937 1.00 33.14 H new ATOM 0 HB THR A 22 -2.822 27.670 7.378 1.00 55.24 H new ATOM 0 HG1 THR A 22 -2.965 25.712 8.656 1.00 23.40 H new ATOM 0 HG21 THR A 22 -5.007 26.597 7.785 1.00 53.02 H new ATOM 0 HG22 THR A 22 -4.936 27.356 6.177 1.00 53.02 H new ATOM 0 HG23 THR A 22 -4.777 25.591 6.335 1.00 53.02 H new ATOM 340 N SER A 23 -0.145 25.653 5.729 1.00 12.11 N ATOM 341 CA SER A 23 1.303 25.655 5.899 1.00 61.34 C ATOM 342 C SER A 23 2.007 25.796 4.553 1.00 45.53 C ATOM 343 O SER A 23 3.195 26.115 4.493 1.00 74.44 O ATOM 344 CB SER A 23 1.758 24.369 6.592 1.00 11.11 C ATOM 345 OG SER A 23 3.041 24.529 7.172 1.00 62.23 O ATOM 0 H SER A 23 -0.554 24.727 5.605 1.00 12.11 H new ATOM 0 HA SER A 23 1.570 26.509 6.521 1.00 61.34 H new ATOM 0 HB2 SER A 23 1.039 24.094 7.363 1.00 11.11 H new ATOM 0 HB3 SER A 23 1.781 23.552 5.871 1.00 11.11 H new ATOM 0 HG SER A 23 3.590 25.103 6.598 1.00 62.23 H new ATOM 351 N GLU A 24 1.266 25.558 3.476 1.00 72.44 N ATOM 352 CA GLU A 24 1.819 25.658 2.130 1.00 23.23 C ATOM 353 C GLU A 24 1.496 27.013 1.508 1.00 11.34 C ATOM 354 O GLU A 24 0.859 27.090 0.457 1.00 23.15 O ATOM 355 CB GLU A 24 1.273 24.535 1.245 1.00 5.14 C ATOM 356 CG GLU A 24 2.195 24.163 0.096 1.00 2.40 C ATOM 357 CD GLU A 24 3.570 23.732 0.567 1.00 4.11 C ATOM 358 OE1 GLU A 24 3.711 23.404 1.764 1.00 71.31 O ATOM 359 OE2 GLU A 24 4.506 23.723 -0.260 1.00 73.00 O ATOM 0 H GLU A 24 0.281 25.295 3.509 1.00 72.44 H new ATOM 0 HA GLU A 24 2.902 25.560 2.202 1.00 23.23 H new ATOM 0 HB2 GLU A 24 1.098 23.652 1.860 1.00 5.14 H new ATOM 0 HB3 GLU A 24 0.307 24.839 0.841 1.00 5.14 H new ATOM 0 HG2 GLU A 24 1.743 23.356 -0.481 1.00 2.40 H new ATOM 0 HG3 GLU A 24 2.296 25.016 -0.575 1.00 2.40 H new ATOM 366 N ARG A 25 1.939 28.080 2.166 1.00 52.02 N ATOM 367 CA ARG A 25 1.695 29.433 1.679 1.00 24.44 C ATOM 368 C ARG A 25 2.389 29.662 0.340 1.00 62.33 C ATOM 369 O ARG A 25 2.079 30.613 -0.377 1.00 11.33 O ATOM 370 CB ARG A 25 2.184 30.461 2.701 1.00 23.33 C ATOM 371 CG ARG A 25 3.693 30.464 2.888 1.00 52.33 C ATOM 372 CD ARG A 25 4.345 31.612 2.133 1.00 54.31 C ATOM 373 NE ARG A 25 5.665 31.253 1.624 1.00 24.20 N ATOM 374 CZ ARG A 25 6.366 32.017 0.793 1.00 32.30 C ATOM 375 NH1 ARG A 25 5.874 33.177 0.380 1.00 60.41 N ATOM 376 NH2 ARG A 25 7.561 31.621 0.374 1.00 30.10 N ATOM 0 H ARG A 25 2.468 28.034 3.037 1.00 52.02 H new ATOM 0 HA ARG A 25 0.621 29.553 1.537 1.00 24.44 H new ATOM 0 HB2 ARG A 25 1.863 31.454 2.387 1.00 23.33 H new ATOM 0 HB3 ARG A 25 1.708 30.261 3.661 1.00 23.33 H new ATOM 0 HG2 ARG A 25 3.929 30.544 3.949 1.00 52.33 H new ATOM 0 HG3 ARG A 25 4.106 29.517 2.540 1.00 52.33 H new ATOM 0 HD2 ARG A 25 3.705 31.909 1.302 1.00 54.31 H new ATOM 0 HD3 ARG A 25 4.433 32.475 2.792 1.00 54.31 H new ATOM 0 HE ARG A 25 6.072 30.367 1.923 1.00 24.20 H new ATOM 0 HH11 ARG A 25 4.956 33.484 0.700 1.00 60.41 H new ATOM 0 HH12 ARG A 25 6.414 33.762 -0.258 1.00 60.41 H new ATOM 0 HH21 ARG A 25 7.942 30.729 0.690 1.00 30.10 H new ATOM 0 HH22 ARG A 25 8.098 32.208 -0.264 1.00 30.10 H new ATOM 390 N SER A 26 3.330 28.783 0.009 1.00 50.05 N ATOM 391 CA SER A 26 4.071 28.892 -1.243 1.00 31.33 C ATOM 392 C SER A 26 3.124 28.865 -2.439 1.00 22.52 C ATOM 393 O SER A 26 3.388 29.489 -3.466 1.00 12.01 O ATOM 394 CB SER A 26 5.089 27.755 -1.358 1.00 13.34 C ATOM 395 OG SER A 26 6.216 28.155 -2.118 1.00 73.11 O ATOM 0 H SER A 26 3.597 27.988 0.590 1.00 50.05 H new ATOM 0 HA SER A 26 4.600 29.845 -1.242 1.00 31.33 H new ATOM 0 HB2 SER A 26 5.409 27.447 -0.363 1.00 13.34 H new ATOM 0 HB3 SER A 26 4.620 26.889 -1.825 1.00 13.34 H new ATOM 0 HG SER A 26 6.852 27.412 -2.175 1.00 73.11 H new ATOM 401 N GLN A 27 2.022 28.136 -2.296 1.00 54.23 N ATOM 402 CA GLN A 27 1.036 28.027 -3.365 1.00 34.31 C ATOM 403 C GLN A 27 -0.137 27.151 -2.936 1.00 61.31 C ATOM 404 O GLN A 27 -0.338 26.048 -3.445 1.00 22.45 O ATOM 405 CB GLN A 27 1.682 27.452 -4.627 1.00 11.32 C ATOM 406 CG GLN A 27 2.573 26.250 -4.361 1.00 4.24 C ATOM 407 CD GLN A 27 2.828 25.425 -5.607 1.00 33.15 C ATOM 408 OE1 GLN A 27 2.485 25.833 -6.716 1.00 50.44 O ATOM 409 NE2 GLN A 27 3.432 24.256 -5.429 1.00 71.34 N ATOM 0 H GLN A 27 1.790 27.613 -1.452 1.00 54.23 H new ATOM 0 HA GLN A 27 0.660 29.027 -3.581 1.00 34.31 H new ATOM 0 HB2 GLN A 27 0.898 27.165 -5.328 1.00 11.32 H new ATOM 0 HB3 GLN A 27 2.272 28.231 -5.110 1.00 11.32 H new ATOM 0 HG2 GLN A 27 3.525 26.591 -3.955 1.00 4.24 H new ATOM 0 HG3 GLN A 27 2.110 25.620 -3.601 1.00 4.24 H new ATOM 0 HE21 GLN A 27 3.699 23.958 -4.491 1.00 71.34 H new ATOM 0 HE22 GLN A 27 3.629 23.657 -6.230 1.00 71.34 H new ATOM 418 N PRO A 28 -0.931 27.651 -1.978 1.00 5.25 N ATOM 419 CA PRO A 28 -2.097 26.930 -1.459 1.00 41.42 C ATOM 420 C PRO A 28 -3.224 26.840 -2.482 1.00 12.10 C ATOM 421 O PRO A 28 -4.210 27.574 -2.401 1.00 65.02 O ATOM 422 CB PRO A 28 -2.531 27.775 -0.258 1.00 62.43 C ATOM 423 CG PRO A 28 -2.030 29.145 -0.558 1.00 3.20 C ATOM 424 CD PRO A 28 -0.751 28.960 -1.326 1.00 64.34 C ATOM 0 HA PRO A 28 -1.859 25.897 -1.206 1.00 41.42 H new ATOM 0 HB2 PRO A 28 -3.614 27.767 -0.139 1.00 62.43 H new ATOM 0 HB3 PRO A 28 -2.106 27.392 0.670 1.00 62.43 H new ATOM 0 HG2 PRO A 28 -2.758 29.707 -1.143 1.00 3.20 H new ATOM 0 HG3 PRO A 28 -1.856 29.706 0.360 1.00 3.20 H new ATOM 0 HD2 PRO A 28 -0.602 29.756 -2.056 1.00 64.34 H new ATOM 0 HD3 PRO A 28 0.118 28.965 -0.667 1.00 64.34 H new ATOM 432 N PHE A 29 -3.073 25.936 -3.444 1.00 34.53 N ATOM 433 CA PHE A 29 -4.079 25.750 -4.483 1.00 71.22 C ATOM 434 C PHE A 29 -3.679 24.623 -5.432 1.00 13.42 C ATOM 435 O PHE A 29 -3.740 24.774 -6.652 1.00 43.41 O ATOM 436 CB PHE A 29 -4.277 27.048 -5.269 1.00 64.31 C ATOM 437 CG PHE A 29 -2.997 27.786 -5.538 1.00 42.22 C ATOM 438 CD1 PHE A 29 -2.620 28.859 -4.746 1.00 34.43 C ATOM 439 CD2 PHE A 29 -2.170 27.408 -6.584 1.00 52.31 C ATOM 440 CE1 PHE A 29 -1.443 29.540 -4.990 1.00 51.23 C ATOM 441 CE2 PHE A 29 -0.992 28.086 -6.833 1.00 64.23 C ATOM 442 CZ PHE A 29 -0.628 29.154 -6.036 1.00 72.32 C ATOM 0 H PHE A 29 -2.264 25.321 -3.526 1.00 34.53 H new ATOM 0 HA PHE A 29 -5.018 25.479 -4.000 1.00 71.22 H new ATOM 0 HB2 PHE A 29 -4.761 26.819 -6.218 1.00 64.31 H new ATOM 0 HB3 PHE A 29 -4.953 27.699 -4.715 1.00 64.31 H new ATOM 0 HD1 PHE A 29 -3.254 29.167 -3.928 1.00 34.43 H new ATOM 0 HD2 PHE A 29 -2.449 26.574 -7.211 1.00 52.31 H new ATOM 0 HE1 PHE A 29 -1.161 30.373 -4.364 1.00 51.23 H new ATOM 0 HE2 PHE A 29 -0.356 27.781 -7.651 1.00 64.23 H new ATOM 0 HZ PHE A 29 0.292 29.686 -6.230 1.00 72.32 H new ATOM 452 N ARG A 30 -3.270 23.495 -4.861 1.00 74.25 N ATOM 453 CA ARG A 30 -2.859 22.343 -5.655 1.00 43.32 C ATOM 454 C ARG A 30 -4.028 21.388 -5.875 1.00 54.30 C ATOM 455 O ARG A 30 -4.558 20.810 -4.926 1.00 60.32 O ATOM 456 CB ARG A 30 -1.708 21.607 -4.966 1.00 51.32 C ATOM 457 CG ARG A 30 -0.522 21.341 -5.879 1.00 12.01 C ATOM 458 CD ARG A 30 -0.933 20.549 -7.110 1.00 35.41 C ATOM 459 NE ARG A 30 0.199 20.282 -7.993 1.00 11.21 N ATOM 460 CZ ARG A 30 0.070 19.938 -9.269 1.00 63.24 C ATOM 461 NH1 ARG A 30 -1.135 19.819 -9.809 1.00 42.13 N ATOM 462 NH2 ARG A 30 1.149 19.712 -10.009 1.00 33.12 N ATOM 0 H ARG A 30 -3.214 23.354 -3.852 1.00 74.25 H new ATOM 0 HA ARG A 30 -2.521 22.705 -6.626 1.00 43.32 H new ATOM 0 HB2 ARG A 30 -1.373 22.194 -4.111 1.00 51.32 H new ATOM 0 HB3 ARG A 30 -2.076 20.658 -4.577 1.00 51.32 H new ATOM 0 HG2 ARG A 30 -0.078 22.288 -6.186 1.00 12.01 H new ATOM 0 HG3 ARG A 30 0.244 20.792 -5.331 1.00 12.01 H new ATOM 0 HD2 ARG A 30 -1.382 19.605 -6.800 1.00 35.41 H new ATOM 0 HD3 ARG A 30 -1.697 21.101 -7.657 1.00 35.41 H new ATOM 0 HE ARG A 30 1.140 20.364 -7.609 1.00 11.21 H new ATOM 0 HH11 ARG A 30 -1.966 19.992 -9.244 1.00 42.13 H new ATOM 0 HH12 ARG A 30 -1.231 19.555 -10.789 1.00 42.13 H new ATOM 0 HH21 ARG A 30 2.078 19.803 -9.597 1.00 33.12 H new ATOM 0 HH22 ARG A 30 1.049 19.448 -10.989 1.00 33.12 H new ATOM 476 N VAL A 31 -4.427 21.229 -7.133 1.00 61.31 N ATOM 477 CA VAL A 31 -5.533 20.344 -7.478 1.00 72.11 C ATOM 478 C VAL A 31 -5.029 18.959 -7.866 1.00 64.40 C ATOM 479 O VAL A 31 -4.045 18.827 -8.595 1.00 51.02 O ATOM 480 CB VAL A 31 -6.370 20.917 -8.638 1.00 24.13 C ATOM 481 CG1 VAL A 31 -5.516 21.068 -9.888 1.00 12.53 C ATOM 482 CG2 VAL A 31 -7.577 20.033 -8.910 1.00 52.15 C ATOM 0 H VAL A 31 -4.001 21.702 -7.930 1.00 61.31 H new ATOM 0 HA VAL A 31 -6.161 20.263 -6.591 1.00 72.11 H new ATOM 0 HB VAL A 31 -6.730 21.905 -8.351 1.00 24.13 H new ATOM 0 HG11 VAL A 31 -6.124 21.474 -10.697 1.00 12.53 H new ATOM 0 HG12 VAL A 31 -4.687 21.745 -9.682 1.00 12.53 H new ATOM 0 HG13 VAL A 31 -5.125 20.094 -10.182 1.00 12.53 H new ATOM 0 HG21 VAL A 31 -8.157 20.452 -9.732 1.00 52.15 H new ATOM 0 HG22 VAL A 31 -7.241 19.031 -9.177 1.00 52.15 H new ATOM 0 HG23 VAL A 31 -8.199 19.981 -8.016 1.00 52.15 H new ATOM 492 N ILE A 32 -5.708 17.928 -7.374 1.00 54.34 N ATOM 493 CA ILE A 32 -5.330 16.552 -7.671 1.00 42.41 C ATOM 494 C ILE A 32 -6.370 15.875 -8.556 1.00 71.34 C ATOM 495 O ILE A 32 -7.560 15.870 -8.241 1.00 70.42 O ATOM 496 CB ILE A 32 -5.152 15.727 -6.383 1.00 73.00 C ATOM 497 CG1 ILE A 32 -6.339 15.948 -5.442 1.00 65.12 C ATOM 498 CG2 ILE A 32 -3.847 16.095 -5.694 1.00 1.22 C ATOM 499 CD1 ILE A 32 -6.297 15.081 -4.204 1.00 31.44 C ATOM 0 H ILE A 32 -6.523 18.020 -6.768 1.00 54.34 H new ATOM 0 HA ILE A 32 -4.378 16.593 -8.201 1.00 42.41 H new ATOM 0 HB ILE A 32 -5.114 14.670 -6.648 1.00 73.00 H new ATOM 0 HG12 ILE A 32 -6.364 16.995 -5.142 1.00 65.12 H new ATOM 0 HG13 ILE A 32 -7.264 15.749 -5.984 1.00 65.12 H new ATOM 0 HG21 ILE A 32 -3.736 15.503 -4.785 1.00 1.22 H new ATOM 0 HG22 ILE A 32 -3.012 15.891 -6.364 1.00 1.22 H new ATOM 0 HG23 ILE A 32 -3.857 17.154 -5.438 1.00 1.22 H new ATOM 0 HD11 ILE A 32 -7.168 15.291 -3.583 1.00 31.44 H new ATOM 0 HD12 ILE A 32 -6.303 14.031 -4.495 1.00 31.44 H new ATOM 0 HD13 ILE A 32 -5.389 15.296 -3.640 1.00 31.44 H new ATOM 511 N SER A 33 -5.913 15.302 -9.665 1.00 62.22 N ATOM 512 CA SER A 33 -6.804 14.622 -10.598 1.00 50.10 C ATOM 513 C SER A 33 -6.641 13.108 -10.500 1.00 12.31 C ATOM 514 O SER A 33 -5.553 12.575 -10.719 1.00 32.23 O ATOM 515 CB SER A 33 -6.527 15.084 -12.030 1.00 0.42 C ATOM 516 OG SER A 33 -5.619 16.172 -12.048 1.00 0.32 O ATOM 0 H SER A 33 -4.931 15.295 -9.939 1.00 62.22 H new ATOM 0 HA SER A 33 -7.830 14.878 -10.333 1.00 50.10 H new ATOM 0 HB2 SER A 33 -6.119 14.256 -12.610 1.00 0.42 H new ATOM 0 HB3 SER A 33 -7.461 15.378 -12.508 1.00 0.42 H new ATOM 0 HG SER A 33 -5.457 16.448 -12.974 1.00 0.32 H new ATOM 522 N ILE A 34 -7.730 12.423 -10.169 1.00 74.24 N ATOM 523 CA ILE A 34 -7.709 10.971 -10.043 1.00 74.20 C ATOM 524 C ILE A 34 -9.041 10.363 -10.470 1.00 61.43 C ATOM 525 O ILE A 34 -10.056 11.054 -10.541 1.00 74.12 O ATOM 526 CB ILE A 34 -7.399 10.536 -8.599 1.00 31.24 C ATOM 527 CG1 ILE A 34 -8.437 11.114 -7.635 1.00 1.25 C ATOM 528 CG2 ILE A 34 -5.997 10.975 -8.203 1.00 14.23 C ATOM 529 CD1 ILE A 34 -8.083 12.492 -7.121 1.00 41.43 C ATOM 0 H ILE A 34 -8.638 12.850 -9.983 1.00 74.24 H new ATOM 0 HA ILE A 34 -6.919 10.608 -10.701 1.00 74.20 H new ATOM 0 HB ILE A 34 -7.447 9.448 -8.544 1.00 31.24 H new ATOM 0 HG12 ILE A 34 -9.403 11.160 -8.138 1.00 1.25 H new ATOM 0 HG13 ILE A 34 -8.551 10.437 -6.788 1.00 1.25 H new ATOM 0 HG21 ILE A 34 -5.793 10.660 -7.180 1.00 14.23 H new ATOM 0 HG22 ILE A 34 -5.270 10.519 -8.875 1.00 14.23 H new ATOM 0 HG23 ILE A 34 -5.923 12.060 -8.270 1.00 14.23 H new ATOM 0 HD11 ILE A 34 -8.863 12.839 -6.443 1.00 41.43 H new ATOM 0 HD12 ILE A 34 -7.133 12.449 -6.589 1.00 41.43 H new ATOM 0 HD13 ILE A 34 -7.998 13.183 -7.960 1.00 41.43 H new ATOM 541 N ALA A 35 -9.029 9.064 -10.752 1.00 65.13 N ATOM 542 CA ALA A 35 -10.236 8.361 -11.169 1.00 3.13 C ATOM 543 C ALA A 35 -11.224 8.236 -10.014 1.00 52.32 C ATOM 544 O ALA A 35 -10.827 8.144 -8.853 1.00 52.12 O ATOM 545 CB ALA A 35 -9.884 6.986 -11.715 1.00 64.45 C ATOM 0 H ALA A 35 -8.196 8.477 -10.699 1.00 65.13 H new ATOM 0 HA ALA A 35 -10.711 8.943 -11.959 1.00 3.13 H new ATOM 0 HB1 ALA A 35 -10.795 6.472 -12.022 1.00 64.45 H new ATOM 0 HB2 ALA A 35 -9.221 7.094 -12.573 1.00 64.45 H new ATOM 0 HB3 ALA A 35 -9.383 6.404 -10.941 1.00 64.45 H new ATOM 551 N GLU A 36 -12.513 8.235 -10.342 1.00 24.03 N ATOM 552 CA GLU A 36 -13.557 8.123 -9.330 1.00 50.13 C ATOM 553 C GLU A 36 -13.435 6.809 -8.565 1.00 24.32 C ATOM 554 O GLU A 36 -13.914 6.689 -7.438 1.00 30.40 O ATOM 555 CB GLU A 36 -14.939 8.221 -9.980 1.00 31.04 C ATOM 556 CG GLU A 36 -15.654 9.531 -9.694 1.00 74.20 C ATOM 557 CD GLU A 36 -17.163 9.403 -9.783 1.00 43.32 C ATOM 558 OE1 GLU A 36 -17.811 9.279 -8.723 1.00 23.03 O ATOM 559 OE2 GLU A 36 -17.695 9.428 -10.912 1.00 71.44 O ATOM 0 H GLU A 36 -12.858 8.310 -11.299 1.00 24.03 H new ATOM 0 HA GLU A 36 -13.435 8.946 -8.625 1.00 50.13 H new ATOM 0 HB2 GLU A 36 -14.833 8.102 -11.058 1.00 31.04 H new ATOM 0 HB3 GLU A 36 -15.557 7.395 -9.627 1.00 31.04 H new ATOM 0 HG2 GLU A 36 -15.381 9.880 -8.698 1.00 74.20 H new ATOM 0 HG3 GLU A 36 -15.315 10.288 -10.401 1.00 74.20 H new ATOM 566 N GLU A 37 -12.790 5.826 -9.186 1.00 44.54 N ATOM 567 CA GLU A 37 -12.606 4.521 -8.564 1.00 65.41 C ATOM 568 C GLU A 37 -11.126 4.239 -8.319 1.00 30.52 C ATOM 569 O GLU A 37 -10.749 3.129 -7.942 1.00 40.41 O ATOM 570 CB GLU A 37 -13.206 3.422 -9.444 1.00 53.41 C ATOM 571 CG GLU A 37 -14.413 2.738 -8.824 1.00 62.31 C ATOM 572 CD GLU A 37 -15.724 3.367 -9.252 1.00 74.30 C ATOM 573 OE1 GLU A 37 -15.815 4.612 -9.245 1.00 5.44 O ATOM 574 OE2 GLU A 37 -16.660 2.614 -9.594 1.00 14.21 O ATOM 0 H GLU A 37 -12.387 5.909 -10.119 1.00 44.54 H new ATOM 0 HA GLU A 37 -13.121 4.529 -7.603 1.00 65.41 H new ATOM 0 HB2 GLU A 37 -13.496 3.853 -10.402 1.00 53.41 H new ATOM 0 HB3 GLU A 37 -12.440 2.674 -9.649 1.00 53.41 H new ATOM 0 HG2 GLU A 37 -14.412 1.684 -9.103 1.00 62.31 H new ATOM 0 HG3 GLU A 37 -14.332 2.780 -7.738 1.00 62.31 H new ATOM 581 N ALA A 38 -10.293 5.251 -8.536 1.00 62.21 N ATOM 582 CA ALA A 38 -8.855 5.113 -8.338 1.00 13.14 C ATOM 583 C ALA A 38 -8.479 5.333 -6.876 1.00 74.12 C ATOM 584 O ALA A 38 -9.192 5.992 -6.119 1.00 74.21 O ATOM 585 CB ALA A 38 -8.103 6.089 -9.231 1.00 33.15 C ATOM 0 H ALA A 38 -10.589 6.176 -8.849 1.00 62.21 H new ATOM 0 HA ALA A 38 -8.571 4.096 -8.610 1.00 13.14 H new ATOM 0 HB1 ALA A 38 -7.031 5.975 -9.073 1.00 33.15 H new ATOM 0 HB2 ALA A 38 -8.340 5.883 -10.275 1.00 33.15 H new ATOM 0 HB3 ALA A 38 -8.399 7.109 -8.986 1.00 33.15 H new ATOM 591 N PRO A 39 -7.333 4.768 -6.468 1.00 13.32 N ATOM 592 CA PRO A 39 -6.837 4.889 -5.094 1.00 31.03 C ATOM 593 C PRO A 39 -6.370 6.304 -4.768 1.00 35.30 C ATOM 594 O PRO A 39 -6.031 7.078 -5.664 1.00 4.04 O ATOM 595 CB PRO A 39 -5.657 3.915 -5.056 1.00 20.31 C ATOM 596 CG PRO A 39 -5.199 3.819 -6.470 1.00 51.43 C ATOM 597 CD PRO A 39 -6.433 3.969 -7.316 1.00 52.22 C ATOM 0 HA PRO A 39 -7.613 4.670 -4.360 1.00 31.03 H new ATOM 0 HB2 PRO A 39 -4.862 4.281 -4.406 1.00 20.31 H new ATOM 0 HB3 PRO A 39 -5.960 2.941 -4.671 1.00 20.31 H new ATOM 0 HG2 PRO A 39 -4.472 4.598 -6.699 1.00 51.43 H new ATOM 0 HG3 PRO A 39 -4.711 2.863 -6.658 1.00 51.43 H new ATOM 0 HD2 PRO A 39 -6.216 4.473 -8.258 1.00 52.22 H new ATOM 0 HD3 PRO A 39 -6.869 3.002 -7.565 1.00 52.22 H new ATOM 605 N LEU A 40 -6.356 6.635 -3.482 1.00 2.23 N ATOM 606 CA LEU A 40 -5.930 7.958 -3.037 1.00 61.23 C ATOM 607 C LEU A 40 -4.447 8.176 -3.321 1.00 12.23 C ATOM 608 O LEU A 40 -4.002 9.306 -3.526 1.00 14.11 O ATOM 609 CB LEU A 40 -6.206 8.129 -1.542 1.00 63.54 C ATOM 610 CG LEU A 40 -5.703 9.427 -0.911 1.00 41.31 C ATOM 611 CD1 LEU A 40 -6.734 10.533 -1.072 1.00 14.14 C ATOM 612 CD2 LEU A 40 -5.372 9.213 0.559 1.00 75.12 C ATOM 0 H LEU A 40 -6.635 6.006 -2.729 1.00 2.23 H new ATOM 0 HA LEU A 40 -6.501 8.702 -3.592 1.00 61.23 H new ATOM 0 HB2 LEU A 40 -7.282 8.064 -1.382 1.00 63.54 H new ATOM 0 HB3 LEU A 40 -5.754 7.291 -1.011 1.00 63.54 H new ATOM 0 HG LEU A 40 -4.792 9.730 -1.427 1.00 41.31 H new ATOM 0 HD11 LEU A 40 -6.359 11.449 -0.617 1.00 14.14 H new ATOM 0 HD12 LEU A 40 -6.921 10.705 -2.132 1.00 14.14 H new ATOM 0 HD13 LEU A 40 -7.663 10.239 -0.583 1.00 14.14 H new ATOM 0 HD21 LEU A 40 -5.015 10.148 0.992 1.00 75.12 H new ATOM 0 HD22 LEU A 40 -6.266 8.886 1.089 1.00 75.12 H new ATOM 0 HD23 LEU A 40 -4.597 8.452 0.650 1.00 75.12 H new ATOM 624 N THR A 41 -3.685 7.087 -3.333 1.00 34.43 N ATOM 625 CA THR A 41 -2.253 7.158 -3.592 1.00 50.31 C ATOM 626 C THR A 41 -1.963 7.954 -4.860 1.00 20.42 C ATOM 627 O THR A 41 -0.920 8.596 -4.976 1.00 2.03 O ATOM 628 CB THR A 41 -1.636 5.754 -3.728 1.00 62.43 C ATOM 629 OG1 THR A 41 -2.270 4.849 -2.817 1.00 1.42 O ATOM 630 CG2 THR A 41 -0.140 5.791 -3.455 1.00 42.11 C ATOM 0 H THR A 41 -4.037 6.144 -3.166 1.00 34.43 H new ATOM 0 HA THR A 41 -1.802 7.663 -2.738 1.00 50.31 H new ATOM 0 HB THR A 41 -1.794 5.410 -4.750 1.00 62.43 H new ATOM 0 HG1 THR A 41 -1.638 4.145 -2.562 1.00 1.42 H new ATOM 0 HG21 THR A 41 0.273 4.788 -3.557 1.00 42.11 H new ATOM 0 HG22 THR A 41 0.344 6.457 -4.169 1.00 42.11 H new ATOM 0 HG23 THR A 41 0.036 6.155 -2.443 1.00 42.11 H new ATOM 638 N ALA A 42 -2.893 7.906 -5.808 1.00 41.51 N ATOM 639 CA ALA A 42 -2.738 8.625 -7.067 1.00 3.24 C ATOM 640 C ALA A 42 -2.593 10.124 -6.828 1.00 41.44 C ATOM 641 O ALA A 42 -1.818 10.798 -7.507 1.00 14.31 O ATOM 642 CB ALA A 42 -3.920 8.346 -7.983 1.00 42.11 C ATOM 0 H ALA A 42 -3.761 7.377 -5.728 1.00 41.51 H new ATOM 0 HA ALA A 42 -1.827 8.271 -7.550 1.00 3.24 H new ATOM 0 HB1 ALA A 42 -3.791 8.889 -8.919 1.00 42.11 H new ATOM 0 HB2 ALA A 42 -3.977 7.277 -8.189 1.00 42.11 H new ATOM 0 HB3 ALA A 42 -4.841 8.672 -7.499 1.00 42.11 H new ATOM 648 N ALA A 43 -3.344 10.640 -5.861 1.00 0.40 N ATOM 649 CA ALA A 43 -3.298 12.060 -5.533 1.00 21.22 C ATOM 650 C ALA A 43 -2.044 12.398 -4.734 1.00 44.34 C ATOM 651 O ALA A 43 -1.543 13.522 -4.791 1.00 53.45 O ATOM 652 CB ALA A 43 -4.544 12.463 -4.758 1.00 42.22 C ATOM 0 H ALA A 43 -3.992 10.096 -5.291 1.00 0.40 H new ATOM 0 HA ALA A 43 -3.266 12.623 -6.466 1.00 21.22 H new ATOM 0 HB1 ALA A 43 -4.496 13.526 -4.520 1.00 42.22 H new ATOM 0 HB2 ALA A 43 -5.429 12.266 -5.364 1.00 42.22 H new ATOM 0 HB3 ALA A 43 -4.601 11.886 -3.835 1.00 42.22 H new ATOM 658 N LEU A 44 -1.540 11.420 -3.990 1.00 11.01 N ATOM 659 CA LEU A 44 -0.343 11.614 -3.178 1.00 54.55 C ATOM 660 C LEU A 44 0.789 12.207 -4.011 1.00 53.32 C ATOM 661 O LEU A 44 1.646 12.922 -3.492 1.00 22.33 O ATOM 662 CB LEU A 44 0.102 10.286 -2.564 1.00 55.12 C ATOM 663 CG LEU A 44 0.952 10.384 -1.297 1.00 62.03 C ATOM 664 CD1 LEU A 44 0.067 10.556 -0.072 1.00 45.34 C ATOM 665 CD2 LEU A 44 1.835 9.153 -1.151 1.00 52.01 C ATOM 0 H LEU A 44 -1.941 10.484 -3.932 1.00 11.01 H new ATOM 0 HA LEU A 44 -0.586 12.313 -2.378 1.00 54.55 H new ATOM 0 HB2 LEU A 44 -0.787 9.698 -2.336 1.00 55.12 H new ATOM 0 HB3 LEU A 44 0.667 9.733 -3.314 1.00 55.12 H new ATOM 0 HG LEU A 44 1.595 11.260 -1.381 1.00 62.03 H new ATOM 0 HD11 LEU A 44 0.690 10.624 0.820 1.00 45.34 H new ATOM 0 HD12 LEU A 44 -0.522 11.468 -0.174 1.00 45.34 H new ATOM 0 HD13 LEU A 44 -0.602 9.700 0.017 1.00 45.34 H new ATOM 0 HD21 LEU A 44 2.433 9.240 -0.244 1.00 52.01 H new ATOM 0 HD22 LEU A 44 1.210 8.262 -1.090 1.00 52.01 H new ATOM 0 HD23 LEU A 44 2.495 9.074 -2.015 1.00 52.01 H new ATOM 677 N ARG A 45 0.784 11.908 -5.306 1.00 34.31 N ATOM 678 CA ARG A 45 1.810 12.412 -6.211 1.00 35.21 C ATOM 679 C ARG A 45 1.952 13.926 -6.082 1.00 74.44 C ATOM 680 O ARG A 45 3.038 14.437 -5.808 1.00 35.30 O ATOM 681 CB ARG A 45 1.472 12.041 -7.656 1.00 53.31 C ATOM 682 CG ARG A 45 2.500 11.131 -8.308 1.00 34.13 C ATOM 683 CD ARG A 45 2.494 11.278 -9.821 1.00 60.23 C ATOM 684 NE ARG A 45 3.601 10.558 -10.445 1.00 42.22 N ATOM 685 CZ ARG A 45 4.860 10.982 -10.420 1.00 20.31 C ATOM 686 NH1 ARG A 45 5.170 12.115 -9.805 1.00 34.55 N ATOM 687 NH2 ARG A 45 5.812 10.271 -11.011 1.00 3.14 N ATOM 0 H ARG A 45 0.081 11.319 -5.752 1.00 34.31 H new ATOM 0 HA ARG A 45 2.759 11.951 -5.938 1.00 35.21 H new ATOM 0 HB2 ARG A 45 0.499 11.550 -7.678 1.00 53.31 H new ATOM 0 HB3 ARG A 45 1.382 12.954 -8.245 1.00 53.31 H new ATOM 0 HG2 ARG A 45 3.492 11.366 -7.922 1.00 34.13 H new ATOM 0 HG3 ARG A 45 2.292 10.095 -8.041 1.00 34.13 H new ATOM 0 HD2 ARG A 45 1.550 10.905 -10.218 1.00 60.23 H new ATOM 0 HD3 ARG A 45 2.555 12.334 -10.083 1.00 60.23 H new ATOM 0 HE ARG A 45 3.397 9.682 -10.926 1.00 42.22 H new ATOM 0 HH11 ARG A 45 4.441 12.664 -9.349 1.00 34.55 H new ATOM 0 HH12 ARG A 45 6.137 12.438 -9.788 1.00 34.55 H new ATOM 0 HH21 ARG A 45 5.577 9.399 -11.485 1.00 3.14 H new ATOM 0 HH22 ARG A 45 6.778 10.597 -10.992 1.00 3.14 H new ATOM 701 N PHE A 46 0.848 14.637 -6.283 1.00 55.52 N ATOM 702 CA PHE A 46 0.849 16.093 -6.191 1.00 70.25 C ATOM 703 C PHE A 46 0.622 16.547 -4.753 1.00 13.33 C ATOM 704 O PHE A 46 1.135 17.583 -4.329 1.00 75.32 O ATOM 705 CB PHE A 46 -0.230 16.683 -7.101 1.00 51.43 C ATOM 706 CG PHE A 46 -0.166 16.178 -8.514 1.00 64.22 C ATOM 707 CD1 PHE A 46 1.022 16.222 -9.226 1.00 50.24 C ATOM 708 CD2 PHE A 46 -1.293 15.658 -9.130 1.00 41.52 C ATOM 709 CE1 PHE A 46 1.085 15.757 -10.527 1.00 11.44 C ATOM 710 CE2 PHE A 46 -1.236 15.192 -10.430 1.00 21.21 C ATOM 711 CZ PHE A 46 -0.046 15.242 -11.129 1.00 40.53 C ATOM 0 H PHE A 46 -0.059 14.229 -6.511 1.00 55.52 H new ATOM 0 HA PHE A 46 1.825 16.452 -6.517 1.00 70.25 H new ATOM 0 HB2 PHE A 46 -1.211 16.452 -6.685 1.00 51.43 H new ATOM 0 HB3 PHE A 46 -0.135 17.769 -7.107 1.00 51.43 H new ATOM 0 HD1 PHE A 46 1.909 16.624 -8.759 1.00 50.24 H new ATOM 0 HD2 PHE A 46 -2.226 15.616 -8.588 1.00 41.52 H new ATOM 0 HE1 PHE A 46 2.017 15.797 -11.071 1.00 11.44 H new ATOM 0 HE2 PHE A 46 -2.122 14.789 -10.899 1.00 21.21 H new ATOM 0 HZ PHE A 46 -0.000 14.879 -12.145 1.00 40.53 H new ATOM 721 N ALA A 47 -0.152 15.765 -4.007 1.00 5.14 N ATOM 722 CA ALA A 47 -0.446 16.085 -2.615 1.00 52.45 C ATOM 723 C ALA A 47 0.829 16.134 -1.781 1.00 44.33 C ATOM 724 O ALA A 47 0.932 16.911 -0.832 1.00 42.14 O ATOM 725 CB ALA A 47 -1.420 15.071 -2.035 1.00 71.42 C ATOM 0 H ALA A 47 -0.587 14.906 -4.343 1.00 5.14 H new ATOM 0 HA ALA A 47 -0.906 17.073 -2.585 1.00 52.45 H new ATOM 0 HB1 ALA A 47 -1.631 15.322 -0.995 1.00 71.42 H new ATOM 0 HB2 ALA A 47 -2.347 15.089 -2.608 1.00 71.42 H new ATOM 0 HB3 ALA A 47 -0.981 14.075 -2.086 1.00 71.42 H new ATOM 731 N ALA A 48 1.799 15.299 -2.141 1.00 54.43 N ATOM 732 CA ALA A 48 3.068 15.249 -1.426 1.00 71.25 C ATOM 733 C ALA A 48 3.761 16.607 -1.442 1.00 62.00 C ATOM 734 O ALA A 48 4.538 16.927 -0.543 1.00 13.31 O ATOM 735 CB ALA A 48 3.972 14.185 -2.032 1.00 4.54 C ATOM 0 H ALA A 48 1.730 14.648 -2.923 1.00 54.43 H new ATOM 0 HA ALA A 48 2.863 14.988 -0.388 1.00 71.25 H new ATOM 0 HB1 ALA A 48 4.917 14.158 -1.489 1.00 4.54 H new ATOM 0 HB2 ALA A 48 3.486 13.212 -1.963 1.00 4.54 H new ATOM 0 HB3 ALA A 48 4.162 14.422 -3.079 1.00 4.54 H new ATOM 741 N GLU A 49 3.476 17.400 -2.470 1.00 14.43 N ATOM 742 CA GLU A 49 4.074 18.724 -2.602 1.00 31.44 C ATOM 743 C GLU A 49 3.346 19.740 -1.726 1.00 72.34 C ATOM 744 O GLU A 49 3.963 20.641 -1.160 1.00 41.25 O ATOM 745 CB GLU A 49 4.044 19.178 -4.062 1.00 72.04 C ATOM 746 CG GLU A 49 4.711 18.202 -5.017 1.00 40.32 C ATOM 747 CD GLU A 49 5.996 17.624 -4.457 1.00 33.24 C ATOM 748 OE1 GLU A 49 5.976 16.456 -4.015 1.00 22.25 O ATOM 749 OE2 GLU A 49 7.020 18.338 -4.460 1.00 13.24 O ATOM 0 H GLU A 49 2.835 17.149 -3.223 1.00 14.43 H new ATOM 0 HA GLU A 49 5.110 18.661 -2.270 1.00 31.44 H new ATOM 0 HB2 GLU A 49 3.008 19.322 -4.368 1.00 72.04 H new ATOM 0 HB3 GLU A 49 4.537 20.147 -4.143 1.00 72.04 H new ATOM 0 HG2 GLU A 49 4.020 17.390 -5.242 1.00 40.32 H new ATOM 0 HG3 GLU A 49 4.925 18.709 -5.958 1.00 40.32 H new ATOM 756 N GLU A 50 2.029 19.586 -1.622 1.00 4.24 N ATOM 757 CA GLU A 50 1.217 20.491 -0.817 1.00 2.22 C ATOM 758 C GLU A 50 1.680 20.490 0.637 1.00 32.24 C ATOM 759 O GLU A 50 1.794 21.543 1.265 1.00 21.32 O ATOM 760 CB GLU A 50 -0.258 20.093 -0.894 1.00 52.45 C ATOM 761 CG GLU A 50 -1.116 21.084 -1.663 1.00 52.30 C ATOM 762 CD GLU A 50 -1.935 21.977 -0.751 1.00 73.01 C ATOM 763 OE1 GLU A 50 -2.686 21.437 0.088 1.00 13.02 O ATOM 764 OE2 GLU A 50 -1.826 23.214 -0.877 1.00 1.44 O ATOM 0 H GLU A 50 1.503 18.844 -2.084 1.00 4.24 H new ATOM 0 HA GLU A 50 1.336 21.498 -1.217 1.00 2.22 H new ATOM 0 HB2 GLU A 50 -0.337 19.114 -1.366 1.00 52.45 H new ATOM 0 HB3 GLU A 50 -0.652 19.992 0.117 1.00 52.45 H new ATOM 0 HG2 GLU A 50 -0.475 21.703 -2.291 1.00 52.30 H new ATOM 0 HG3 GLU A 50 -1.785 20.539 -2.329 1.00 52.30 H new ATOM 771 N PHE A 51 1.944 19.300 1.167 1.00 60.11 N ATOM 772 CA PHE A 51 2.393 19.160 2.547 1.00 34.04 C ATOM 773 C PHE A 51 3.916 19.101 2.621 1.00 14.00 C ATOM 774 O PHE A 51 4.509 19.374 3.664 1.00 73.23 O ATOM 775 CB PHE A 51 1.791 17.901 3.176 1.00 2.43 C ATOM 776 CG PHE A 51 0.931 18.183 4.375 1.00 73.22 C ATOM 777 CD1 PHE A 51 -0.450 18.219 4.260 1.00 24.20 C ATOM 778 CD2 PHE A 51 1.502 18.412 5.616 1.00 22.21 C ATOM 779 CE1 PHE A 51 -1.244 18.477 5.361 1.00 75.00 C ATOM 780 CE2 PHE A 51 0.713 18.670 6.720 1.00 15.15 C ATOM 781 CZ PHE A 51 -0.662 18.704 6.593 1.00 74.04 C ATOM 0 H PHE A 51 1.855 18.419 0.661 1.00 60.11 H new ATOM 0 HA PHE A 51 2.054 20.034 3.103 1.00 34.04 H new ATOM 0 HB2 PHE A 51 1.196 17.379 2.427 1.00 2.43 H new ATOM 0 HB3 PHE A 51 2.598 17.229 3.467 1.00 2.43 H new ATOM 0 HD1 PHE A 51 -0.910 18.043 3.299 1.00 24.20 H new ATOM 0 HD2 PHE A 51 2.577 18.389 5.722 1.00 22.21 H new ATOM 0 HE1 PHE A 51 -2.319 18.501 5.258 1.00 75.00 H new ATOM 0 HE2 PHE A 51 1.171 18.845 7.682 1.00 15.15 H new ATOM 0 HZ PHE A 51 -1.280 18.908 7.455 1.00 74.04 H new ATOM 791 N GLY A 52 4.543 18.742 1.505 1.00 72.31 N ATOM 792 CA GLY A 52 5.991 18.652 1.464 1.00 54.24 C ATOM 793 C GLY A 52 6.520 17.459 2.234 1.00 60.23 C ATOM 794 O GLY A 52 7.727 17.331 2.439 1.00 23.54 O ATOM 0 H GLY A 52 4.074 18.512 0.629 1.00 72.31 H new ATOM 0 HA2 GLY A 52 6.318 18.585 0.427 1.00 54.24 H new ATOM 0 HA3 GLY A 52 6.420 19.565 1.875 1.00 54.24 H new ATOM 798 N ILE A 53 5.616 16.584 2.662 1.00 53.52 N ATOM 799 CA ILE A 53 5.999 15.396 3.414 1.00 11.31 C ATOM 800 C ILE A 53 5.279 14.158 2.891 1.00 54.32 C ATOM 801 O ILE A 53 5.868 13.083 2.784 1.00 1.41 O ATOM 802 CB ILE A 53 5.694 15.558 4.915 1.00 22.31 C ATOM 803 CG1 ILE A 53 4.290 16.131 5.114 1.00 54.12 C ATOM 804 CG2 ILE A 53 6.735 16.451 5.574 1.00 72.12 C ATOM 805 CD1 ILE A 53 3.918 16.329 6.567 1.00 51.44 C ATOM 0 H ILE A 53 4.613 16.676 2.501 1.00 53.52 H new ATOM 0 HA ILE A 53 7.074 15.271 3.281 1.00 11.31 H new ATOM 0 HB ILE A 53 5.735 14.576 5.387 1.00 22.31 H new ATOM 0 HG12 ILE A 53 4.220 17.087 4.596 1.00 54.12 H new ATOM 0 HG13 ILE A 53 3.565 15.463 4.649 1.00 54.12 H new ATOM 0 HG21 ILE A 53 6.506 16.556 6.634 1.00 72.12 H new ATOM 0 HG22 ILE A 53 7.723 16.005 5.459 1.00 72.12 H new ATOM 0 HG23 ILE A 53 6.723 17.433 5.102 1.00 72.12 H new ATOM 0 HD11 ILE A 53 2.910 16.738 6.632 1.00 51.44 H new ATOM 0 HD12 ILE A 53 3.955 15.371 7.086 1.00 51.44 H new ATOM 0 HD13 ILE A 53 4.621 17.021 7.031 1.00 51.44 H new ATOM 817 N ALA A 54 4.000 14.318 2.564 1.00 3.02 N ATOM 818 CA ALA A 54 3.200 13.214 2.048 1.00 1.51 C ATOM 819 C ALA A 54 3.049 12.111 3.090 1.00 0.52 C ATOM 820 O ALA A 54 2.823 10.950 2.750 1.00 12.25 O ATOM 821 CB ALA A 54 3.824 12.660 0.776 1.00 22.32 C ATOM 0 H ALA A 54 3.496 15.201 2.647 1.00 3.02 H new ATOM 0 HA ALA A 54 2.206 13.596 1.815 1.00 1.51 H new ATOM 0 HB1 ALA A 54 3.216 11.836 0.402 1.00 22.32 H new ATOM 0 HB2 ALA A 54 3.873 13.446 0.023 1.00 22.32 H new ATOM 0 HB3 ALA A 54 4.830 12.300 0.991 1.00 22.32 H new ATOM 827 N SER A 55 3.176 12.482 4.360 1.00 4.23 N ATOM 828 CA SER A 55 3.058 11.523 5.452 1.00 25.11 C ATOM 829 C SER A 55 1.850 11.841 6.327 1.00 52.31 C ATOM 830 O SER A 55 0.829 11.155 6.270 1.00 43.13 O ATOM 831 CB SER A 55 4.331 11.525 6.301 1.00 44.12 C ATOM 832 OG SER A 55 5.306 10.649 5.761 1.00 34.13 O ATOM 0 H SER A 55 3.361 13.440 4.658 1.00 4.23 H new ATOM 0 HA SER A 55 2.920 10.532 5.019 1.00 25.11 H new ATOM 0 HB2 SER A 55 4.735 12.536 6.354 1.00 44.12 H new ATOM 0 HB3 SER A 55 4.092 11.224 7.321 1.00 44.12 H new ATOM 0 HG SER A 55 6.110 10.670 6.321 1.00 34.13 H new ATOM 838 N VAL A 56 1.973 12.888 7.137 1.00 31.01 N ATOM 839 CA VAL A 56 0.891 13.300 8.024 1.00 23.40 C ATOM 840 C VAL A 56 -0.317 13.783 7.230 1.00 43.32 C ATOM 841 O VAL A 56 -1.429 13.854 7.753 1.00 2.11 O ATOM 842 CB VAL A 56 1.345 14.419 8.980 1.00 32.33 C ATOM 843 CG1 VAL A 56 0.227 14.781 9.946 1.00 2.23 C ATOM 844 CG2 VAL A 56 2.597 13.999 9.735 1.00 45.35 C ATOM 0 H VAL A 56 2.811 13.466 7.197 1.00 31.01 H new ATOM 0 HA VAL A 56 0.610 12.424 8.609 1.00 23.40 H new ATOM 0 HB VAL A 56 1.584 15.303 8.389 1.00 32.33 H new ATOM 0 HG11 VAL A 56 0.565 15.573 10.614 1.00 2.23 H new ATOM 0 HG12 VAL A 56 -0.641 15.126 9.385 1.00 2.23 H new ATOM 0 HG13 VAL A 56 -0.045 13.904 10.533 1.00 2.23 H new ATOM 0 HG21 VAL A 56 2.904 14.802 10.406 1.00 45.35 H new ATOM 0 HG22 VAL A 56 2.387 13.101 10.316 1.00 45.35 H new ATOM 0 HG23 VAL A 56 3.398 13.793 9.025 1.00 45.35 H new ATOM 854 N ASP A 57 -0.091 14.115 5.963 1.00 22.23 N ATOM 855 CA ASP A 57 -1.161 14.591 5.095 1.00 73.31 C ATOM 856 C ASP A 57 -2.218 13.509 4.892 1.00 43.12 C ATOM 857 O ASP A 57 -3.334 13.792 4.457 1.00 61.45 O ATOM 858 CB ASP A 57 -0.594 15.027 3.743 1.00 13.53 C ATOM 859 CG ASP A 57 -1.637 15.691 2.865 1.00 30.11 C ATOM 860 OD1 ASP A 57 -2.656 16.165 3.409 1.00 15.30 O ATOM 861 OD2 ASP A 57 -1.433 15.736 1.634 1.00 13.51 O ATOM 0 H ASP A 57 0.824 14.063 5.515 1.00 22.23 H new ATOM 0 HA ASP A 57 -1.632 15.448 5.576 1.00 73.31 H new ATOM 0 HB2 ASP A 57 0.234 15.718 3.905 1.00 13.53 H new ATOM 0 HB3 ASP A 57 -0.187 14.158 3.225 1.00 13.53 H new ATOM 866 N SER A 58 -1.857 12.270 5.209 1.00 31.32 N ATOM 867 CA SER A 58 -2.772 11.145 5.057 1.00 71.41 C ATOM 868 C SER A 58 -4.021 11.340 5.912 1.00 44.34 C ATOM 869 O SER A 58 -5.081 10.791 5.615 1.00 31.24 O ATOM 870 CB SER A 58 -2.076 9.838 5.442 1.00 30.04 C ATOM 871 OG SER A 58 -2.138 9.620 6.841 1.00 12.43 O ATOM 0 H SER A 58 -0.937 12.020 5.573 1.00 31.32 H new ATOM 0 HA SER A 58 -3.074 11.094 4.011 1.00 71.41 H new ATOM 0 HB2 SER A 58 -2.546 9.005 4.920 1.00 30.04 H new ATOM 0 HB3 SER A 58 -1.035 9.869 5.121 1.00 30.04 H new ATOM 0 HG SER A 58 -1.688 8.778 7.061 1.00 12.43 H new ATOM 877 N MET A 59 -3.885 12.128 6.974 1.00 74.52 N ATOM 878 CA MET A 59 -5.002 12.397 7.872 1.00 54.42 C ATOM 879 C MET A 59 -4.811 13.728 8.593 1.00 72.04 C ATOM 880 O MET A 59 -4.581 13.762 9.801 1.00 12.30 O ATOM 881 CB MET A 59 -5.148 11.267 8.893 1.00 53.34 C ATOM 882 CG MET A 59 -3.857 10.938 9.624 1.00 41.32 C ATOM 883 SD MET A 59 -4.037 11.007 11.417 1.00 61.24 S ATOM 884 CE MET A 59 -3.672 9.310 11.859 1.00 63.04 C ATOM 0 H MET A 59 -3.014 12.591 7.233 1.00 74.52 H new ATOM 0 HA MET A 59 -5.911 12.455 7.273 1.00 54.42 H new ATOM 0 HB2 MET A 59 -5.909 11.544 9.623 1.00 53.34 H new ATOM 0 HB3 MET A 59 -5.506 10.372 8.384 1.00 53.34 H new ATOM 0 HG2 MET A 59 -3.524 9.941 9.334 1.00 41.32 H new ATOM 0 HG3 MET A 59 -3.080 11.637 9.314 1.00 41.32 H new ATOM 0 HE1 MET A 59 -3.743 9.192 12.940 1.00 63.04 H new ATOM 0 HE2 MET A 59 -4.388 8.646 11.374 1.00 63.04 H new ATOM 0 HE3 MET A 59 -2.663 9.058 11.532 1.00 63.04 H new ATOM 894 N ALA A 60 -4.908 14.821 7.843 1.00 2.21 N ATOM 895 CA ALA A 60 -4.747 16.154 8.411 1.00 31.25 C ATOM 896 C ALA A 60 -5.600 17.175 7.667 1.00 74.23 C ATOM 897 O ALA A 60 -5.084 17.994 6.908 1.00 4.41 O ATOM 898 CB ALA A 60 -3.283 16.566 8.384 1.00 41.31 C ATOM 0 H ALA A 60 -5.097 14.810 6.841 1.00 2.21 H new ATOM 0 HA ALA A 60 -5.085 16.124 9.447 1.00 31.25 H new ATOM 0 HB1 ALA A 60 -3.178 17.563 8.811 1.00 41.31 H new ATOM 0 HB2 ALA A 60 -2.695 15.858 8.967 1.00 41.31 H new ATOM 0 HB3 ALA A 60 -2.926 16.573 7.354 1.00 41.31 H new ATOM 904 N ALA A 61 -6.910 17.119 7.888 1.00 63.21 N ATOM 905 CA ALA A 61 -7.834 18.040 7.238 1.00 32.34 C ATOM 906 C ALA A 61 -9.196 18.026 7.925 1.00 3.01 C ATOM 907 O ALA A 61 -9.582 17.032 8.541 1.00 15.45 O ATOM 908 CB ALA A 61 -7.980 17.689 5.765 1.00 15.21 C ATOM 0 H ALA A 61 -7.355 16.446 8.512 1.00 63.21 H new ATOM 0 HA ALA A 61 -7.424 19.047 7.321 1.00 32.34 H new ATOM 0 HB1 ALA A 61 -8.673 18.385 5.292 1.00 15.21 H new ATOM 0 HB2 ALA A 61 -7.008 17.757 5.277 1.00 15.21 H new ATOM 0 HB3 ALA A 61 -8.364 16.673 5.669 1.00 15.21 H new ATOM 914 N THR A 62 -9.920 19.136 7.816 1.00 61.43 N ATOM 915 CA THR A 62 -11.238 19.252 8.428 1.00 65.24 C ATOM 916 C THR A 62 -12.232 19.901 7.472 1.00 32.10 C ATOM 917 O THR A 62 -11.844 20.602 6.537 1.00 54.21 O ATOM 918 CB THR A 62 -11.182 20.074 9.729 1.00 30.21 C ATOM 919 OG1 THR A 62 -10.004 20.888 9.744 1.00 14.33 O ATOM 920 CG2 THR A 62 -11.189 19.161 10.946 1.00 13.32 C ATOM 0 H THR A 62 -9.616 19.967 7.310 1.00 61.43 H new ATOM 0 HA THR A 62 -11.570 18.240 8.661 1.00 65.24 H new ATOM 0 HB THR A 62 -12.065 20.712 9.768 1.00 30.21 H new ATOM 0 HG1 THR A 62 -9.977 21.409 10.574 1.00 14.33 H new ATOM 0 HG21 THR A 62 -11.149 19.764 11.853 1.00 13.32 H new ATOM 0 HG22 THR A 62 -12.101 18.563 10.947 1.00 13.32 H new ATOM 0 HG23 THR A 62 -10.322 18.501 10.910 1.00 13.32 H new ATOM 928 N THR A 63 -13.518 19.664 7.712 1.00 30.35 N ATOM 929 CA THR A 63 -14.569 20.225 6.873 1.00 62.11 C ATOM 930 C THR A 63 -15.003 21.596 7.378 1.00 2.12 C ATOM 931 O THR A 63 -14.724 21.966 8.519 1.00 34.32 O ATOM 932 CB THR A 63 -15.798 19.298 6.817 1.00 40.44 C ATOM 933 OG1 THR A 63 -16.296 19.064 8.139 1.00 42.23 O ATOM 934 CG2 THR A 63 -15.446 17.972 6.159 1.00 15.33 C ATOM 0 H THR A 63 -13.857 19.087 8.482 1.00 30.35 H new ATOM 0 HA THR A 63 -14.153 20.325 5.871 1.00 62.11 H new ATOM 0 HB THR A 63 -16.568 19.788 6.221 1.00 40.44 H new ATOM 0 HG1 THR A 63 -15.967 18.200 8.465 1.00 42.23 H new ATOM 0 HG21 THR A 63 -16.329 17.334 6.131 1.00 15.33 H new ATOM 0 HG22 THR A 63 -15.096 18.152 5.143 1.00 15.33 H new ATOM 0 HG23 THR A 63 -14.660 17.479 6.732 1.00 15.33 H new ATOM 942 N LYS A 64 -15.687 22.347 6.522 1.00 13.44 N ATOM 943 CA LYS A 64 -16.163 23.678 6.882 1.00 5.11 C ATOM 944 C LYS A 64 -17.087 23.617 8.094 1.00 72.54 C ATOM 945 O LYS A 64 -17.234 24.596 8.825 1.00 52.24 O ATOM 946 CB LYS A 64 -16.895 24.317 5.700 1.00 1.31 C ATOM 947 CG LYS A 64 -18.068 23.495 5.195 1.00 41.31 C ATOM 948 CD LYS A 64 -17.691 22.680 3.970 1.00 63.34 C ATOM 949 CE LYS A 64 -17.843 21.188 4.225 1.00 63.05 C ATOM 950 NZ LYS A 64 -19.092 20.647 3.622 1.00 34.21 N ATOM 0 H LYS A 64 -15.924 22.057 5.573 1.00 13.44 H new ATOM 0 HA LYS A 64 -15.297 24.289 7.139 1.00 5.11 H new ATOM 0 HB2 LYS A 64 -17.254 25.303 5.996 1.00 1.31 H new ATOM 0 HB3 LYS A 64 -16.188 24.466 4.884 1.00 1.31 H new ATOM 0 HG2 LYS A 64 -18.413 22.828 5.985 1.00 41.31 H new ATOM 0 HG3 LYS A 64 -18.899 24.157 4.951 1.00 41.31 H new ATOM 0 HD2 LYS A 64 -18.320 22.972 3.129 1.00 63.34 H new ATOM 0 HD3 LYS A 64 -16.661 22.899 3.689 1.00 63.34 H new ATOM 0 HE2 LYS A 64 -16.983 20.660 3.814 1.00 63.05 H new ATOM 0 HE3 LYS A 64 -17.848 21.002 5.299 1.00 63.05 H new ATOM 0 HZ1 LYS A 64 -19.159 19.628 3.818 1.00 34.21 H new ATOM 0 HZ2 LYS A 64 -19.915 21.133 4.033 1.00 34.21 H new ATOM 0 HZ3 LYS A 64 -19.076 20.802 2.594 1.00 34.21 H new ATOM 964 N ASP A 65 -17.707 22.460 8.301 1.00 62.11 N ATOM 965 CA ASP A 65 -18.615 22.270 9.426 1.00 53.02 C ATOM 966 C ASP A 65 -17.853 21.828 10.671 1.00 33.21 C ATOM 967 O ASP A 65 -18.323 22.005 11.794 1.00 2.33 O ATOM 968 CB ASP A 65 -19.687 21.237 9.075 1.00 61.34 C ATOM 969 CG ASP A 65 -20.661 21.745 8.030 1.00 30.11 C ATOM 970 OD1 ASP A 65 -20.530 22.916 7.616 1.00 13.23 O ATOM 971 OD2 ASP A 65 -21.554 20.971 7.626 1.00 43.23 O ATOM 0 H ASP A 65 -17.597 21.640 7.704 1.00 62.11 H new ATOM 0 HA ASP A 65 -19.097 23.225 9.637 1.00 53.02 H new ATOM 0 HB2 ASP A 65 -19.207 20.329 8.709 1.00 61.34 H new ATOM 0 HB3 ASP A 65 -20.235 20.966 9.977 1.00 61.34 H new ATOM 976 N GLY A 66 -16.674 21.250 10.463 1.00 31.52 N ATOM 977 CA GLY A 66 -15.867 20.790 11.578 1.00 64.31 C ATOM 978 C GLY A 66 -14.976 19.621 11.206 1.00 73.35 C ATOM 979 O GLY A 66 -14.048 19.765 10.409 1.00 55.43 O ATOM 0 H GLY A 66 -16.263 21.092 9.543 1.00 31.52 H new ATOM 0 HA2 GLY A 66 -15.250 21.613 11.939 1.00 64.31 H new ATOM 0 HA3 GLY A 66 -16.521 20.497 12.399 1.00 64.31 H new ATOM 983 N THR A 67 -15.257 18.457 11.784 1.00 2.24 N ATOM 984 CA THR A 67 -14.473 17.259 11.511 1.00 11.14 C ATOM 985 C THR A 67 -14.482 16.924 10.024 1.00 24.54 C ATOM 986 O THR A 67 -15.533 16.915 9.386 1.00 12.10 O ATOM 987 CB THR A 67 -15.004 16.048 12.302 1.00 4.53 C ATOM 988 OG1 THR A 67 -16.431 15.986 12.204 1.00 42.04 O ATOM 989 CG2 THR A 67 -14.595 16.136 13.765 1.00 43.40 C ATOM 0 H THR A 67 -16.022 18.319 12.444 1.00 2.24 H new ATOM 0 HA THR A 67 -13.451 17.470 11.827 1.00 11.14 H new ATOM 0 HB THR A 67 -14.571 15.144 11.873 1.00 4.53 H new ATOM 0 HG1 THR A 67 -16.760 15.213 12.708 1.00 42.04 H new ATOM 0 HG21 THR A 67 -14.981 15.270 14.303 1.00 43.40 H new ATOM 0 HG22 THR A 67 -13.508 16.154 13.838 1.00 43.40 H new ATOM 0 HG23 THR A 67 -15.003 17.047 14.203 1.00 43.40 H new ATOM 997 N GLY A 68 -13.302 16.646 9.478 1.00 5.40 N ATOM 998 CA GLY A 68 -13.196 16.313 8.070 1.00 51.15 C ATOM 999 C GLY A 68 -12.230 15.173 7.814 1.00 13.12 C ATOM 1000 O GLY A 68 -11.476 15.196 6.841 1.00 74.12 O ATOM 0 H GLY A 68 -12.418 16.646 9.986 1.00 5.40 H new ATOM 0 HA2 GLY A 68 -14.181 16.043 7.689 1.00 51.15 H new ATOM 0 HA3 GLY A 68 -12.870 17.193 7.515 1.00 51.15 H new ATOM 1004 N ILE A 69 -12.251 14.175 8.691 1.00 71.44 N ATOM 1005 CA ILE A 69 -11.370 13.021 8.555 1.00 10.41 C ATOM 1006 C ILE A 69 -11.920 12.025 7.540 1.00 52.52 C ATOM 1007 O ILE A 69 -13.118 11.747 7.515 1.00 52.22 O ATOM 1008 CB ILE A 69 -11.169 12.305 9.903 1.00 32.25 C ATOM 1009 CG1 ILE A 69 -10.558 13.262 10.928 1.00 4.05 C ATOM 1010 CG2 ILE A 69 -10.288 11.078 9.725 1.00 70.50 C ATOM 1011 CD1 ILE A 69 -10.724 12.802 12.360 1.00 70.33 C ATOM 0 H ILE A 69 -12.868 14.142 9.503 1.00 71.44 H new ATOM 0 HA ILE A 69 -10.409 13.398 8.206 1.00 10.41 H new ATOM 0 HB ILE A 69 -12.141 11.979 10.273 1.00 32.25 H new ATOM 0 HG12 ILE A 69 -9.496 13.381 10.714 1.00 4.05 H new ATOM 0 HG13 ILE A 69 -11.017 14.244 10.815 1.00 4.05 H new ATOM 0 HG21 ILE A 69 -10.155 10.583 10.687 1.00 70.50 H new ATOM 0 HG22 ILE A 69 -10.760 10.389 9.024 1.00 70.50 H new ATOM 0 HG23 ILE A 69 -9.316 11.381 9.336 1.00 70.50 H new ATOM 0 HD11 ILE A 69 -10.267 13.529 13.031 1.00 70.33 H new ATOM 0 HD12 ILE A 69 -11.785 12.711 12.592 1.00 70.33 H new ATOM 0 HD13 ILE A 69 -10.240 11.834 12.490 1.00 70.33 H new ATOM 1023 N ASN A 70 -11.035 11.490 6.705 1.00 55.33 N ATOM 1024 CA ASN A 70 -11.432 10.524 5.687 1.00 33.55 C ATOM 1025 C ASN A 70 -10.962 9.120 6.058 1.00 12.20 C ATOM 1026 O ASN A 70 -9.774 8.869 6.258 1.00 4.30 O ATOM 1027 CB ASN A 70 -10.861 10.922 4.325 1.00 21.22 C ATOM 1028 CG ASN A 70 -9.551 11.677 4.446 1.00 73.11 C ATOM 1029 OD1 ASN A 70 -9.388 12.754 3.872 1.00 22.12 O ATOM 1030 ND2 ASN A 70 -8.611 11.114 5.195 1.00 65.52 N ATOM 0 H ASN A 70 -10.039 11.709 6.713 1.00 55.33 H new ATOM 0 HA ASN A 70 -12.520 10.521 5.629 1.00 33.55 H new ATOM 0 HB2 ASN A 70 -10.707 10.027 3.723 1.00 21.22 H new ATOM 0 HB3 ASN A 70 -11.586 11.541 3.797 1.00 21.22 H new ATOM 0 HD21 ASN A 70 -7.709 11.575 5.314 1.00 65.52 H new ATOM 0 HD22 ASN A 70 -8.791 10.220 5.652 1.00 65.52 H new ATOM 1037 N PRO A 71 -11.916 8.182 6.152 1.00 53.14 N ATOM 1038 CA PRO A 71 -11.624 6.788 6.497 1.00 33.33 C ATOM 1039 C PRO A 71 -10.879 6.058 5.385 1.00 52.55 C ATOM 1040 O PRO A 71 -9.863 5.408 5.628 1.00 53.02 O ATOM 1041 CB PRO A 71 -13.012 6.175 6.702 1.00 10.13 C ATOM 1042 CG PRO A 71 -13.924 7.020 5.881 1.00 31.33 C ATOM 1043 CD PRO A 71 -13.354 8.410 5.927 1.00 44.24 C ATOM 0 HA PRO A 71 -10.976 6.712 7.370 1.00 33.33 H new ATOM 0 HB2 PRO A 71 -13.037 5.135 6.378 1.00 10.13 H new ATOM 0 HB3 PRO A 71 -13.299 6.188 7.753 1.00 10.13 H new ATOM 0 HG2 PRO A 71 -13.978 6.654 4.856 1.00 31.33 H new ATOM 0 HG3 PRO A 71 -14.938 7.001 6.280 1.00 31.33 H new ATOM 0 HD2 PRO A 71 -13.535 8.949 4.997 1.00 44.24 H new ATOM 0 HD3 PRO A 71 -13.798 9.000 6.729 1.00 44.24 H new ATOM 1051 N ALA A 72 -11.391 6.172 4.163 1.00 23.22 N ATOM 1052 CA ALA A 72 -10.772 5.525 3.013 1.00 43.12 C ATOM 1053 C ALA A 72 -10.032 6.538 2.146 1.00 50.23 C ATOM 1054 O ALA A 72 -9.068 6.196 1.461 1.00 34.42 O ATOM 1055 CB ALA A 72 -11.822 4.792 2.192 1.00 63.45 C ATOM 0 H ALA A 72 -12.232 6.706 3.945 1.00 23.22 H new ATOM 0 HA ALA A 72 -10.045 4.802 3.382 1.00 43.12 H new ATOM 0 HB1 ALA A 72 -11.346 4.313 1.336 1.00 63.45 H new ATOM 0 HB2 ALA A 72 -12.303 4.034 2.810 1.00 63.45 H new ATOM 0 HB3 ALA A 72 -12.570 5.502 1.840 1.00 63.45 H new ATOM 1061 N GLN A 73 -10.490 7.785 2.180 1.00 40.54 N ATOM 1062 CA GLN A 73 -9.871 8.847 1.395 1.00 54.40 C ATOM 1063 C GLN A 73 -10.000 8.566 -0.098 1.00 44.15 C ATOM 1064 O GLN A 73 -9.263 9.124 -0.912 1.00 42.23 O ATOM 1065 CB GLN A 73 -8.397 8.997 1.773 1.00 2.01 C ATOM 1066 CG GLN A 73 -8.112 8.709 3.238 1.00 13.45 C ATOM 1067 CD GLN A 73 -6.807 9.319 3.710 1.00 11.32 C ATOM 1068 OE1 GLN A 73 -6.544 10.501 3.487 1.00 15.51 O ATOM 1069 NE2 GLN A 73 -5.980 8.514 4.367 1.00 52.11 N ATOM 0 H GLN A 73 -11.287 8.085 2.742 1.00 40.54 H new ATOM 0 HA GLN A 73 -10.392 9.779 1.617 1.00 54.40 H new ATOM 0 HB2 GLN A 73 -7.802 8.323 1.157 1.00 2.01 H new ATOM 0 HB3 GLN A 73 -8.072 10.011 1.541 1.00 2.01 H new ATOM 0 HG2 GLN A 73 -8.930 9.095 3.846 1.00 13.45 H new ATOM 0 HG3 GLN A 73 -8.081 7.631 3.393 1.00 13.45 H new ATOM 0 HE21 GLN A 73 -6.238 7.541 4.530 1.00 52.11 H new ATOM 0 HE22 GLN A 73 -5.087 8.869 4.709 1.00 52.11 H new ATOM 1078 N THR A 74 -10.940 7.696 -0.453 1.00 71.13 N ATOM 1079 CA THR A 74 -11.164 7.339 -1.848 1.00 41.05 C ATOM 1080 C THR A 74 -11.961 8.419 -2.571 1.00 72.21 C ATOM 1081 O THR A 74 -12.606 9.255 -1.939 1.00 43.22 O ATOM 1082 CB THR A 74 -11.909 5.997 -1.972 1.00 75.23 C ATOM 1083 OG1 THR A 74 -11.534 5.127 -0.898 1.00 52.05 O ATOM 1084 CG2 THR A 74 -11.603 5.328 -3.304 1.00 2.31 C ATOM 0 H THR A 74 -11.559 7.225 0.207 1.00 71.13 H new ATOM 0 HA THR A 74 -10.182 7.245 -2.311 1.00 41.05 H new ATOM 0 HB THR A 74 -12.980 6.196 -1.921 1.00 75.23 H new ATOM 0 HG1 THR A 74 -12.013 4.277 -0.983 1.00 52.05 H new ATOM 0 HG21 THR A 74 -12.141 4.382 -3.368 1.00 2.31 H new ATOM 0 HG22 THR A 74 -11.917 5.980 -4.119 1.00 2.31 H new ATOM 0 HG23 THR A 74 -10.532 5.142 -3.380 1.00 2.31 H new ATOM 1092 N ALA A 75 -11.914 8.394 -3.899 1.00 44.10 N ATOM 1093 CA ALA A 75 -12.634 9.370 -4.708 1.00 32.35 C ATOM 1094 C ALA A 75 -14.138 9.274 -4.473 1.00 22.04 C ATOM 1095 O ALA A 75 -14.816 10.287 -4.306 1.00 43.05 O ATOM 1096 CB ALA A 75 -12.315 9.172 -6.182 1.00 3.20 C ATOM 0 H ALA A 75 -11.385 7.708 -4.438 1.00 44.10 H new ATOM 0 HA ALA A 75 -12.308 10.366 -4.408 1.00 32.35 H new ATOM 0 HB1 ALA A 75 -12.860 9.908 -6.774 1.00 3.20 H new ATOM 0 HB2 ALA A 75 -11.244 9.298 -6.343 1.00 3.20 H new ATOM 0 HB3 ALA A 75 -12.612 8.169 -6.487 1.00 3.20 H new ATOM 1102 N GLY A 76 -14.654 8.048 -4.461 1.00 3.52 N ATOM 1103 CA GLY A 76 -16.074 7.844 -4.246 1.00 73.34 C ATOM 1104 C GLY A 76 -16.512 8.236 -2.849 1.00 72.42 C ATOM 1105 O GLY A 76 -17.594 8.790 -2.664 1.00 14.35 O ATOM 0 H GLY A 76 -14.114 7.193 -4.596 1.00 3.52 H new ATOM 0 HA2 GLY A 76 -16.636 8.426 -4.976 1.00 73.34 H new ATOM 0 HA3 GLY A 76 -16.317 6.796 -4.419 1.00 73.34 H new ATOM 1109 N ASN A 77 -15.670 7.945 -1.863 1.00 64.13 N ATOM 1110 CA ASN A 77 -15.977 8.269 -0.475 1.00 22.31 C ATOM 1111 C ASN A 77 -15.872 9.771 -0.231 1.00 2.04 C ATOM 1112 O ASN A 77 -16.836 10.412 0.189 1.00 63.31 O ATOM 1113 CB ASN A 77 -15.031 7.520 0.466 1.00 1.35 C ATOM 1114 CG ASN A 77 -15.765 6.852 1.613 1.00 53.21 C ATOM 1115 OD1 ASN A 77 -16.612 5.984 1.400 1.00 0.15 O ATOM 1116 ND2 ASN A 77 -15.443 7.256 2.837 1.00 74.45 N ATOM 0 H ASN A 77 -14.770 7.485 -2.000 1.00 64.13 H new ATOM 0 HA ASN A 77 -17.002 7.957 -0.273 1.00 22.31 H new ATOM 0 HB2 ASN A 77 -14.483 6.766 -0.099 1.00 1.35 H new ATOM 0 HB3 ASN A 77 -14.294 8.217 0.866 1.00 1.35 H new ATOM 0 HD21 ASN A 77 -15.904 6.844 3.648 1.00 74.45 H new ATOM 0 HD22 ASN A 77 -14.735 7.979 2.966 1.00 74.45 H new ATOM 1123 N VAL A 78 -14.694 10.327 -0.497 1.00 12.53 N ATOM 1124 CA VAL A 78 -14.463 11.755 -0.308 1.00 22.52 C ATOM 1125 C VAL A 78 -15.482 12.584 -1.081 1.00 61.44 C ATOM 1126 O VAL A 78 -15.910 13.644 -0.625 1.00 51.14 O ATOM 1127 CB VAL A 78 -13.045 12.157 -0.754 1.00 42.13 C ATOM 1128 CG1 VAL A 78 -12.831 13.652 -0.571 1.00 54.03 C ATOM 1129 CG2 VAL A 78 -11.999 11.363 0.014 1.00 72.00 C ATOM 0 H VAL A 78 -13.885 9.811 -0.844 1.00 12.53 H new ATOM 0 HA VAL A 78 -14.571 11.955 0.758 1.00 22.52 H new ATOM 0 HB VAL A 78 -12.938 11.926 -1.814 1.00 42.13 H new ATOM 0 HG11 VAL A 78 -11.823 13.917 -0.891 1.00 54.03 H new ATOM 0 HG12 VAL A 78 -13.558 14.200 -1.170 1.00 54.03 H new ATOM 0 HG13 VAL A 78 -12.958 13.912 0.480 1.00 54.03 H new ATOM 0 HG21 VAL A 78 -11.003 11.660 -0.314 1.00 72.00 H new ATOM 0 HG22 VAL A 78 -12.103 11.560 1.081 1.00 72.00 H new ATOM 0 HG23 VAL A 78 -12.140 10.299 -0.174 1.00 72.00 H new ATOM 1139 N PHE A 79 -15.867 12.093 -2.255 1.00 13.03 N ATOM 1140 CA PHE A 79 -16.837 12.789 -3.093 1.00 64.21 C ATOM 1141 C PHE A 79 -18.095 13.131 -2.301 1.00 22.15 C ATOM 1142 O PHE A 79 -18.633 14.232 -2.415 1.00 20.31 O ATOM 1143 CB PHE A 79 -17.202 11.931 -4.306 1.00 41.14 C ATOM 1144 CG PHE A 79 -18.352 12.478 -5.103 1.00 10.03 C ATOM 1145 CD1 PHE A 79 -18.332 13.784 -5.566 1.00 34.40 C ATOM 1146 CD2 PHE A 79 -19.453 11.687 -5.387 1.00 71.44 C ATOM 1147 CE1 PHE A 79 -19.389 14.290 -6.299 1.00 41.04 C ATOM 1148 CE2 PHE A 79 -20.512 12.187 -6.121 1.00 13.24 C ATOM 1149 CZ PHE A 79 -20.481 13.491 -6.576 1.00 62.11 C ATOM 0 H PHE A 79 -15.522 11.217 -2.647 1.00 13.03 H new ATOM 0 HA PHE A 79 -16.382 13.718 -3.437 1.00 64.21 H new ATOM 0 HB2 PHE A 79 -16.330 11.843 -4.954 1.00 41.14 H new ATOM 0 HB3 PHE A 79 -17.451 10.925 -3.968 1.00 41.14 H new ATOM 0 HD1 PHE A 79 -17.481 14.414 -5.352 1.00 34.40 H new ATOM 0 HD2 PHE A 79 -19.484 10.668 -5.031 1.00 71.44 H new ATOM 0 HE1 PHE A 79 -19.361 15.309 -6.655 1.00 41.04 H new ATOM 0 HE2 PHE A 79 -21.363 11.559 -6.339 1.00 13.24 H new ATOM 0 HZ PHE A 79 -21.309 13.885 -7.147 1.00 62.11 H new ATOM 1159 N MET A 80 -18.558 12.179 -1.497 1.00 71.35 N ATOM 1160 CA MET A 80 -19.753 12.379 -0.685 1.00 64.12 C ATOM 1161 C MET A 80 -19.383 12.853 0.717 1.00 34.50 C ATOM 1162 O MET A 80 -20.223 13.381 1.446 1.00 1.02 O ATOM 1163 CB MET A 80 -20.562 11.083 -0.602 1.00 2.21 C ATOM 1164 CG MET A 80 -21.972 11.280 -0.069 1.00 42.44 C ATOM 1165 SD MET A 80 -22.611 9.815 0.764 1.00 21.13 S ATOM 1166 CE MET A 80 -24.228 9.673 0.007 1.00 63.41 C ATOM 0 H MET A 80 -18.124 11.262 -1.390 1.00 71.35 H new ATOM 0 HA MET A 80 -20.362 13.148 -1.161 1.00 64.12 H new ATOM 0 HB2 MET A 80 -20.617 10.634 -1.594 1.00 2.21 H new ATOM 0 HB3 MET A 80 -20.035 10.376 0.039 1.00 2.21 H new ATOM 0 HG2 MET A 80 -21.980 12.120 0.625 1.00 42.44 H new ATOM 0 HG3 MET A 80 -22.635 11.542 -0.894 1.00 42.44 H new ATOM 0 HE1 MET A 80 -24.749 8.809 0.420 1.00 63.41 H new ATOM 0 HE2 MET A 80 -24.805 10.576 0.209 1.00 63.41 H new ATOM 0 HE3 MET A 80 -24.116 9.548 -1.070 1.00 63.41 H new ATOM 1176 N LYS A 81 -18.123 12.660 1.089 1.00 65.41 N ATOM 1177 CA LYS A 81 -17.641 13.068 2.403 1.00 30.34 C ATOM 1178 C LYS A 81 -17.549 14.587 2.501 1.00 4.14 C ATOM 1179 O LYS A 81 -18.157 15.200 3.379 1.00 3.21 O ATOM 1180 CB LYS A 81 -16.272 12.444 2.684 1.00 32.31 C ATOM 1181 CG LYS A 81 -16.128 11.903 4.096 1.00 33.02 C ATOM 1182 CD LYS A 81 -16.049 10.386 4.107 1.00 63.41 C ATOM 1183 CE LYS A 81 -17.410 9.754 3.859 1.00 12.34 C ATOM 1184 NZ LYS A 81 -17.991 9.182 5.105 1.00 21.15 N ATOM 0 H LYS A 81 -17.416 12.223 0.498 1.00 65.41 H new ATOM 0 HA LYS A 81 -18.354 12.716 3.149 1.00 30.34 H new ATOM 0 HB2 LYS A 81 -16.098 11.635 1.975 1.00 32.31 H new ATOM 0 HB3 LYS A 81 -15.499 13.192 2.510 1.00 32.31 H new ATOM 0 HG2 LYS A 81 -15.231 12.318 4.556 1.00 33.02 H new ATOM 0 HG3 LYS A 81 -16.975 12.228 4.699 1.00 33.02 H new ATOM 0 HD2 LYS A 81 -15.347 10.052 3.343 1.00 63.41 H new ATOM 0 HD3 LYS A 81 -15.660 10.048 5.067 1.00 63.41 H new ATOM 0 HE2 LYS A 81 -18.089 10.503 3.452 1.00 12.34 H new ATOM 0 HE3 LYS A 81 -17.315 8.969 3.109 1.00 12.34 H new ATOM 0 HZ1 LYS A 81 -18.918 8.761 4.894 1.00 21.15 H new ATOM 0 HZ2 LYS A 81 -17.355 8.449 5.480 1.00 21.15 H new ATOM 0 HZ3 LYS A 81 -18.106 9.936 5.812 1.00 21.15 H new ATOM 1198 N TYR A 82 -16.786 15.188 1.595 1.00 11.41 N ATOM 1199 CA TYR A 82 -16.614 16.636 1.580 1.00 2.14 C ATOM 1200 C TYR A 82 -17.125 17.232 0.273 1.00 51.45 C ATOM 1201 O TYR A 82 -17.545 18.388 0.226 1.00 35.40 O ATOM 1202 CB TYR A 82 -15.141 16.997 1.777 1.00 4.51 C ATOM 1203 CG TYR A 82 -14.395 16.033 2.672 1.00 41.41 C ATOM 1204 CD1 TYR A 82 -13.222 15.424 2.244 1.00 21.40 C ATOM 1205 CD2 TYR A 82 -14.863 15.732 3.945 1.00 74.45 C ATOM 1206 CE1 TYR A 82 -12.537 14.542 3.058 1.00 74.43 C ATOM 1207 CE2 TYR A 82 -14.185 14.852 4.766 1.00 62.05 C ATOM 1208 CZ TYR A 82 -13.023 14.259 4.318 1.00 44.43 C ATOM 1209 OH TYR A 82 -12.344 13.382 5.132 1.00 74.40 O ATOM 0 H TYR A 82 -16.277 14.695 0.861 1.00 11.41 H new ATOM 0 HA TYR A 82 -17.197 17.054 2.401 1.00 2.14 H new ATOM 0 HB2 TYR A 82 -14.651 17.030 0.804 1.00 4.51 H new ATOM 0 HB3 TYR A 82 -15.075 17.999 2.201 1.00 4.51 H new ATOM 0 HD1 TYR A 82 -12.839 15.644 1.258 1.00 21.40 H new ATOM 0 HD2 TYR A 82 -15.773 16.194 4.299 1.00 74.45 H new ATOM 0 HE1 TYR A 82 -11.627 14.077 2.710 1.00 74.43 H new ATOM 0 HE2 TYR A 82 -14.563 14.630 5.753 1.00 62.05 H new ATOM 0 HH TYR A 82 -11.670 13.871 5.649 1.00 74.40 H new ATOM 1219 N GLY A 83 -17.086 16.434 -0.790 1.00 21.42 N ATOM 1220 CA GLY A 83 -17.548 16.898 -2.085 1.00 12.24 C ATOM 1221 C GLY A 83 -16.930 18.225 -2.479 1.00 64.54 C ATOM 1222 O GLY A 83 -17.626 19.234 -2.584 1.00 22.14 O ATOM 0 H GLY A 83 -16.742 15.474 -0.777 1.00 21.42 H new ATOM 0 HA2 GLY A 83 -17.309 16.151 -2.842 1.00 12.24 H new ATOM 0 HA3 GLY A 83 -18.633 16.997 -2.066 1.00 12.24 H new ATOM 1226 N GLN A 84 -15.619 18.223 -2.698 1.00 24.34 N ATOM 1227 CA GLN A 84 -14.907 19.436 -3.081 1.00 3.24 C ATOM 1228 C GLN A 84 -15.223 20.579 -2.121 1.00 75.23 C ATOM 1229 O GLN A 84 -15.810 21.587 -2.515 1.00 23.45 O ATOM 1230 CB GLN A 84 -15.273 19.838 -4.510 1.00 54.32 C ATOM 1231 CG GLN A 84 -14.237 20.729 -5.176 1.00 71.25 C ATOM 1232 CD GLN A 84 -14.793 21.478 -6.371 1.00 71.14 C ATOM 1233 OE1 GLN A 84 -15.673 22.328 -6.231 1.00 43.23 O ATOM 1234 NE2 GLN A 84 -14.282 21.166 -7.556 1.00 63.25 N ATOM 0 H GLN A 84 -15.029 17.395 -2.617 1.00 24.34 H new ATOM 0 HA GLN A 84 -13.838 19.230 -3.032 1.00 3.24 H new ATOM 0 HB2 GLN A 84 -15.405 18.937 -5.109 1.00 54.32 H new ATOM 0 HB3 GLN A 84 -16.232 20.356 -4.498 1.00 54.32 H new ATOM 0 HG2 GLN A 84 -13.857 21.445 -4.448 1.00 71.25 H new ATOM 0 HG3 GLN A 84 -13.391 20.120 -5.495 1.00 71.25 H new ATOM 0 HE21 GLN A 84 -13.554 20.455 -7.626 1.00 63.25 H new ATOM 0 HE22 GLN A 84 -14.618 21.637 -8.396 1.00 63.25 H new ATOM 1243 N GLU A 85 -14.832 20.413 -0.862 1.00 2.43 N ATOM 1244 CA GLU A 85 -15.076 21.431 0.153 1.00 1.44 C ATOM 1245 C GLU A 85 -14.429 21.043 1.480 1.00 51.11 C ATOM 1246 O GLU A 85 -15.116 20.838 2.481 1.00 54.31 O ATOM 1247 CB GLU A 85 -16.579 21.639 0.348 1.00 53.21 C ATOM 1248 CG GLU A 85 -16.941 23.023 0.862 1.00 60.42 C ATOM 1249 CD GLU A 85 -16.759 24.101 -0.188 1.00 44.24 C ATOM 1250 OE1 GLU A 85 -15.802 24.894 -0.064 1.00 3.14 O ATOM 1251 OE2 GLU A 85 -17.572 24.153 -1.134 1.00 71.32 O ATOM 0 H GLU A 85 -14.345 19.584 -0.520 1.00 2.43 H new ATOM 0 HA GLU A 85 -14.629 22.364 -0.191 1.00 1.44 H new ATOM 0 HB2 GLU A 85 -17.087 21.469 -0.601 1.00 53.21 H new ATOM 0 HB3 GLU A 85 -16.953 20.892 1.048 1.00 53.21 H new ATOM 0 HG2 GLU A 85 -17.977 23.021 1.200 1.00 60.42 H new ATOM 0 HG3 GLU A 85 -16.323 23.258 1.729 1.00 60.42 H new ATOM 1258 N ILE A 86 -13.104 20.943 1.478 1.00 12.34 N ATOM 1259 CA ILE A 86 -12.365 20.580 2.681 1.00 43.21 C ATOM 1260 C ILE A 86 -11.043 21.337 2.763 1.00 72.41 C ATOM 1261 O ILE A 86 -10.437 21.661 1.741 1.00 34.14 O ATOM 1262 CB ILE A 86 -12.081 19.067 2.732 1.00 13.32 C ATOM 1263 CG1 ILE A 86 -11.442 18.691 4.071 1.00 52.14 C ATOM 1264 CG2 ILE A 86 -11.182 18.657 1.576 1.00 42.43 C ATOM 1265 CD1 ILE A 86 -11.232 17.203 4.243 1.00 51.02 C ATOM 0 H ILE A 86 -12.521 21.108 0.658 1.00 12.34 H new ATOM 0 HA ILE A 86 -12.991 20.853 3.531 1.00 43.21 H new ATOM 0 HB ILE A 86 -13.026 18.532 2.638 1.00 13.32 H new ATOM 0 HG12 ILE A 86 -10.481 19.198 4.161 1.00 52.14 H new ATOM 0 HG13 ILE A 86 -12.073 19.057 4.881 1.00 52.14 H new ATOM 0 HG21 ILE A 86 -10.991 17.585 1.626 1.00 42.43 H new ATOM 0 HG22 ILE A 86 -11.672 18.894 0.632 1.00 42.43 H new ATOM 0 HG23 ILE A 86 -10.238 19.197 1.640 1.00 42.43 H new ATOM 0 HD11 ILE A 86 -10.776 17.010 5.214 1.00 51.02 H new ATOM 0 HD12 ILE A 86 -12.192 16.691 4.185 1.00 51.02 H new ATOM 0 HD13 ILE A 86 -10.576 16.835 3.454 1.00 51.02 H new ATOM 1277 N ARG A 87 -10.601 21.613 3.985 1.00 2.13 N ATOM 1278 CA ARG A 87 -9.350 22.331 4.201 1.00 33.21 C ATOM 1279 C ARG A 87 -8.292 21.410 4.802 1.00 0.52 C ATOM 1280 O ARG A 87 -8.607 20.509 5.580 1.00 32.11 O ATOM 1281 CB ARG A 87 -9.579 23.532 5.121 1.00 61.23 C ATOM 1282 CG ARG A 87 -9.785 23.152 6.578 1.00 0.41 C ATOM 1283 CD ARG A 87 -8.570 23.503 7.422 1.00 3.22 C ATOM 1284 NE ARG A 87 -8.418 24.946 7.590 1.00 0.01 N ATOM 1285 CZ ARG A 87 -9.234 25.690 8.329 1.00 24.32 C ATOM 1286 NH1 ARG A 87 -10.253 25.129 8.966 1.00 42.44 N ATOM 1287 NH2 ARG A 87 -9.030 26.997 8.433 1.00 31.22 N ATOM 0 H ARG A 87 -11.090 21.351 4.841 1.00 2.13 H new ATOM 0 HA ARG A 87 -8.992 22.686 3.235 1.00 33.21 H new ATOM 0 HB2 ARG A 87 -8.724 24.204 5.047 1.00 61.23 H new ATOM 0 HB3 ARG A 87 -10.451 24.086 4.772 1.00 61.23 H new ATOM 0 HG2 ARG A 87 -10.662 23.667 6.969 1.00 0.41 H new ATOM 0 HG3 ARG A 87 -9.984 22.083 6.652 1.00 0.41 H new ATOM 0 HD2 ARG A 87 -8.660 23.032 8.401 1.00 3.22 H new ATOM 0 HD3 ARG A 87 -7.674 23.096 6.954 1.00 3.22 H new ATOM 0 HE ARG A 87 -7.643 25.408 7.114 1.00 0.01 H new ATOM 0 HH11 ARG A 87 -10.412 24.124 8.889 1.00 42.44 H new ATOM 0 HH12 ARG A 87 -10.878 25.702 9.533 1.00 42.44 H new ATOM 0 HH21 ARG A 87 -8.246 27.431 7.945 1.00 31.22 H new ATOM 0 HH22 ARG A 87 -9.657 27.567 9.000 1.00 31.22 H new ATOM 1301 N LEU A 88 -7.036 21.643 4.436 1.00 14.45 N ATOM 1302 CA LEU A 88 -5.931 20.835 4.939 1.00 4.30 C ATOM 1303 C LEU A 88 -5.081 21.629 5.927 1.00 74.40 C ATOM 1304 O LEU A 88 -4.677 22.757 5.646 1.00 12.44 O ATOM 1305 CB LEU A 88 -5.061 20.347 3.779 1.00 54.12 C ATOM 1306 CG LEU A 88 -5.428 18.983 3.193 1.00 51.20 C ATOM 1307 CD1 LEU A 88 -6.857 18.993 2.672 1.00 21.41 C ATOM 1308 CD2 LEU A 88 -4.457 18.600 2.086 1.00 73.05 C ATOM 0 H LEU A 88 -6.758 22.384 3.793 1.00 14.45 H new ATOM 0 HA LEU A 88 -6.351 19.974 5.459 1.00 4.30 H new ATOM 0 HB2 LEU A 88 -5.106 21.087 2.980 1.00 54.12 H new ATOM 0 HB3 LEU A 88 -4.026 20.308 4.119 1.00 54.12 H new ATOM 0 HG LEU A 88 -5.357 18.237 3.985 1.00 51.20 H new ATOM 0 HD11 LEU A 88 -7.100 18.014 2.259 1.00 21.41 H new ATOM 0 HD12 LEU A 88 -7.541 19.222 3.489 1.00 21.41 H new ATOM 0 HD13 LEU A 88 -6.955 19.750 1.894 1.00 21.41 H new ATOM 0 HD21 LEU A 88 -4.733 17.627 1.680 1.00 73.05 H new ATOM 0 HD22 LEU A 88 -4.495 19.347 1.294 1.00 73.05 H new ATOM 0 HD23 LEU A 88 -3.446 18.551 2.490 1.00 73.05 H new ATOM 1320 N ILE A 89 -4.813 21.030 7.082 1.00 32.05 N ATOM 1321 CA ILE A 89 -4.009 21.680 8.110 1.00 31.52 C ATOM 1322 C ILE A 89 -3.067 20.686 8.781 1.00 32.42 C ATOM 1323 O ILE A 89 -3.316 19.480 8.812 1.00 11.21 O ATOM 1324 CB ILE A 89 -4.894 22.337 9.185 1.00 12.24 C ATOM 1325 CG1 ILE A 89 -5.983 21.366 9.645 1.00 72.51 C ATOM 1326 CG2 ILE A 89 -5.513 23.620 8.650 1.00 3.04 C ATOM 1327 CD1 ILE A 89 -6.443 21.602 11.066 1.00 34.13 C ATOM 0 H ILE A 89 -5.140 20.096 7.330 1.00 32.05 H new ATOM 0 HA ILE A 89 -3.423 22.452 7.611 1.00 31.52 H new ATOM 0 HB ILE A 89 -4.271 22.587 10.044 1.00 12.24 H new ATOM 0 HG12 ILE A 89 -6.839 21.450 8.976 1.00 72.51 H new ATOM 0 HG13 ILE A 89 -5.609 20.346 9.558 1.00 72.51 H new ATOM 0 HG21 ILE A 89 -6.136 24.073 9.421 1.00 3.04 H new ATOM 0 HG22 ILE A 89 -4.722 24.315 8.368 1.00 3.04 H new ATOM 0 HG23 ILE A 89 -6.125 23.392 7.777 1.00 3.04 H new ATOM 0 HD11 ILE A 89 -7.215 20.877 11.324 1.00 34.13 H new ATOM 0 HD12 ILE A 89 -5.598 21.489 11.745 1.00 34.13 H new ATOM 0 HD13 ILE A 89 -6.848 22.610 11.155 1.00 34.13 H new ATOM 1339 N PRO A 90 -1.959 21.201 9.334 1.00 50.03 N ATOM 1340 CA PRO A 90 -0.958 20.376 10.017 1.00 11.41 C ATOM 1341 C PRO A 90 -1.473 19.815 11.338 1.00 74.33 C ATOM 1342 O PRO A 90 -1.145 20.323 12.410 1.00 51.53 O ATOM 1343 CB PRO A 90 0.196 21.351 10.265 1.00 53.44 C ATOM 1344 CG PRO A 90 -0.445 22.696 10.297 1.00 20.01 C ATOM 1345 CD PRO A 90 -1.598 22.629 9.334 1.00 31.34 C ATOM 0 HA PRO A 90 -0.678 19.503 9.427 1.00 11.41 H new ATOM 0 HB2 PRO A 90 0.704 21.132 11.204 1.00 53.44 H new ATOM 0 HB3 PRO A 90 0.944 21.288 9.475 1.00 53.44 H new ATOM 0 HG2 PRO A 90 -0.790 22.940 11.302 1.00 20.01 H new ATOM 0 HG3 PRO A 90 0.262 23.472 10.005 1.00 20.01 H new ATOM 0 HD2 PRO A 90 -2.430 23.254 9.659 1.00 31.34 H new ATOM 0 HD3 PRO A 90 -1.312 22.971 8.340 1.00 31.34 H new ATOM 1353 N ARG A 91 -2.282 18.763 11.253 1.00 3.10 N ATOM 1354 CA ARG A 91 -2.843 18.133 12.442 1.00 2.10 C ATOM 1355 C ARG A 91 -2.135 16.815 12.744 1.00 13.33 C ATOM 1356 O ARG A 91 -1.604 16.164 11.845 1.00 43.12 O ATOM 1357 CB ARG A 91 -4.342 17.889 12.257 1.00 65.24 C ATOM 1358 CG ARG A 91 -5.214 18.743 13.162 1.00 73.24 C ATOM 1359 CD ARG A 91 -5.611 17.992 14.423 1.00 1.22 C ATOM 1360 NE ARG A 91 -7.055 17.791 14.509 1.00 22.14 N ATOM 1361 CZ ARG A 91 -7.630 16.949 15.360 1.00 21.44 C ATOM 1362 NH1 ARG A 91 -6.888 16.233 16.194 1.00 5.42 N ATOM 1363 NH2 ARG A 91 -8.951 16.821 15.379 1.00 64.21 N ATOM 0 H ARG A 91 -2.563 18.330 10.373 1.00 3.10 H new ATOM 0 HA ARG A 91 -2.693 18.807 13.285 1.00 2.10 H new ATOM 0 HB2 ARG A 91 -4.608 18.086 11.219 1.00 65.24 H new ATOM 0 HB3 ARG A 91 -4.556 16.837 12.447 1.00 65.24 H new ATOM 0 HG2 ARG A 91 -4.678 19.653 13.433 1.00 73.24 H new ATOM 0 HG3 ARG A 91 -6.110 19.049 12.622 1.00 73.24 H new ATOM 0 HD2 ARG A 91 -5.109 17.025 14.442 1.00 1.22 H new ATOM 0 HD3 ARG A 91 -5.269 18.546 15.297 1.00 1.22 H new ATOM 0 HE ARG A 91 -7.655 18.327 13.881 1.00 22.14 H new ATOM 0 HH11 ARG A 91 -5.873 16.328 16.183 1.00 5.42 H new ATOM 0 HH12 ARG A 91 -7.333 15.587 16.846 1.00 5.42 H new ATOM 0 HH21 ARG A 91 -9.526 17.370 14.739 1.00 64.21 H new ATOM 0 HH22 ARG A 91 -9.391 16.174 16.033 1.00 64.21 H new ATOM 1377 N ASP A 92 -2.133 16.429 14.015 1.00 4.43 N ATOM 1378 CA ASP A 92 -1.491 15.189 14.437 1.00 51.35 C ATOM 1379 C ASP A 92 0.012 15.240 14.178 1.00 35.22 C ATOM 1380 O ASP A 92 0.656 14.206 14.001 1.00 71.12 O ATOM 1381 CB ASP A 92 -2.107 13.997 13.704 1.00 74.25 C ATOM 1382 CG ASP A 92 -2.209 12.766 14.583 1.00 15.32 C ATOM 1383 OD1 ASP A 92 -1.667 11.711 14.193 1.00 74.21 O ATOM 1384 OD2 ASP A 92 -2.831 12.859 15.662 1.00 23.13 O ATOM 0 H ASP A 92 -2.569 16.957 14.771 1.00 4.43 H new ATOM 0 HA ASP A 92 -1.653 15.070 15.508 1.00 51.35 H new ATOM 0 HB2 ASP A 92 -3.100 14.268 13.347 1.00 74.25 H new ATOM 0 HB3 ASP A 92 -1.505 13.764 12.826 1.00 74.25 H new ATOM 1389 N ARG A 93 0.563 16.449 14.157 1.00 31.14 N ATOM 1390 CA ARG A 93 1.989 16.634 13.918 1.00 1.23 C ATOM 1391 C ARG A 93 2.597 17.572 14.957 1.00 1.11 C ATOM 1392 O ARG A 93 3.511 17.195 15.691 1.00 71.45 O ATOM 1393 CB ARG A 93 2.224 17.191 12.513 1.00 1.10 C ATOM 1394 CG ARG A 93 3.692 17.397 12.177 1.00 22.31 C ATOM 1395 CD ARG A 93 4.228 16.270 11.307 1.00 13.14 C ATOM 1396 NE ARG A 93 5.655 16.420 11.035 1.00 33.33 N ATOM 1397 CZ ARG A 93 6.440 15.417 10.656 1.00 55.43 C ATOM 1398 NH1 ARG A 93 5.938 14.199 10.504 1.00 42.53 N ATOM 1399 NH2 ARG A 93 7.729 15.633 10.427 1.00 73.33 N ATOM 0 H ARG A 93 0.044 17.315 14.303 1.00 31.14 H new ATOM 0 HA ARG A 93 2.475 15.662 14.002 1.00 1.23 H new ATOM 0 HB2 ARG A 93 1.785 16.510 11.783 1.00 1.10 H new ATOM 0 HB3 ARG A 93 1.701 18.142 12.416 1.00 1.10 H new ATOM 0 HG2 ARG A 93 3.818 18.348 11.660 1.00 22.31 H new ATOM 0 HG3 ARG A 93 4.272 17.455 13.098 1.00 22.31 H new ATOM 0 HD2 ARG A 93 4.052 15.315 11.802 1.00 13.14 H new ATOM 0 HD3 ARG A 93 3.680 16.247 10.365 1.00 13.14 H new ATOM 0 HE ARG A 93 6.072 17.345 11.142 1.00 33.33 H new ATOM 0 HH11 ARG A 93 4.947 14.030 10.678 1.00 42.53 H new ATOM 0 HH12 ARG A 93 6.543 13.431 10.213 1.00 42.53 H new ATOM 0 HH21 ARG A 93 8.118 16.569 10.542 1.00 73.33 H new ATOM 0 HH22 ARG A 93 8.331 14.863 10.136 1.00 73.33 H new ATOM 1413 N VAL A 94 2.084 18.797 15.013 1.00 12.13 N ATOM 1414 CA VAL A 94 2.575 19.789 15.962 1.00 3.10 C ATOM 1415 C VAL A 94 1.857 19.672 17.301 1.00 33.14 C ATOM 1416 O VAL A 94 2.481 19.430 18.334 1.00 72.04 O ATOM 1417 CB VAL A 94 2.398 21.220 15.420 1.00 20.02 C ATOM 1418 CG1 VAL A 94 2.890 22.240 16.436 1.00 54.34 C ATOM 1419 CG2 VAL A 94 3.126 21.381 14.094 1.00 4.35 C ATOM 0 H VAL A 94 1.328 19.126 14.412 1.00 12.13 H new ATOM 0 HA VAL A 94 3.637 19.591 16.105 1.00 3.10 H new ATOM 0 HB VAL A 94 1.336 21.397 15.249 1.00 20.02 H new ATOM 0 HG11 VAL A 94 2.757 23.245 16.036 1.00 54.34 H new ATOM 0 HG12 VAL A 94 2.319 22.138 17.359 1.00 54.34 H new ATOM 0 HG13 VAL A 94 3.946 22.068 16.642 1.00 54.34 H new ATOM 0 HG21 VAL A 94 2.990 22.398 13.726 1.00 4.35 H new ATOM 0 HG22 VAL A 94 4.189 21.185 14.236 1.00 4.35 H new ATOM 0 HG23 VAL A 94 2.721 20.675 13.369 1.00 4.35 H new ATOM 1429 N GLY A 95 0.539 19.845 17.277 1.00 75.01 N ATOM 1430 CA GLY A 95 -0.244 19.755 18.496 1.00 73.54 C ATOM 1431 C GLY A 95 -0.461 18.322 18.940 1.00 32.33 C ATOM 1432 O GLY A 95 -1.296 18.053 19.804 1.00 22.41 O ATOM 0 H GLY A 95 -0.001 20.046 16.435 1.00 75.01 H new ATOM 0 HA2 GLY A 95 0.260 20.306 19.290 1.00 73.54 H new ATOM 0 HA3 GLY A 95 -1.210 20.234 18.340 1.00 73.54 H new TER 1436 GLY A 95