USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 815 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 13 ASN : amide:sc= -0.311 K(o=-1.2,f=-3.4!) USER MOD Set 1.2: A 38 GLN : amide:sc= -0.859 K(o=-1.2,f=-3.6!) USER MOD Single : A 1 LYS N :NH3+ -175:sc= 0 (180deg=-0.0342) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 3 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.2) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 80:sc= -0.647 USER MOD Single : A 27 MET CE :methyl -106:sc= -1.13 (180deg=-1.85!) USER MOD Single : A 30 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 140:sc= -3.57! (180deg=-6.01!) USER MOD Single : A 39 ASN : amide:sc= -0.654 K(o=-0.65,f=-3!) USER MOD Single : A 44 HIS : no HE2:sc= -0.0713 K(o=-0.071,f=-1.2) USER MOD Single : A 45 THR OG1 : rot 62:sc= 1.1 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc=-0.00983 X(o=-0.0098,f=-0.24) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.02) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.81 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 145:sc= -0.285 (180deg=-0.99) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 90 GLN : amide:sc= -2.53! C(o=-2.5!,f=-3.2!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 91:sc= 0.262 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 40.868 61.476 66.594 1.00 51.12 N ATOM 2 CA LYS A 1 41.842 62.082 67.494 1.00 11.42 C ATOM 3 C LYS A 1 41.201 62.436 68.832 1.00 75.12 C ATOM 4 O LYS A 1 41.765 62.166 69.892 1.00 22.33 O ATOM 5 CB LYS A 1 42.445 63.336 66.858 1.00 2.35 C ATOM 6 CG LYS A 1 43.942 63.470 67.076 1.00 0.00 C ATOM 7 CD LYS A 1 44.731 62.819 65.952 1.00 33.34 C ATOM 8 CE LYS A 1 46.202 63.197 66.012 1.00 62.12 C ATOM 9 NZ LYS A 1 46.999 62.203 66.781 1.00 51.33 N ATOM 0 H1 LYS A 1 41.345 61.167 65.723 1.00 51.12 H new ATOM 0 H2 LYS A 1 40.430 60.655 67.059 1.00 51.12 H new ATOM 0 H3 LYS A 1 40.133 62.173 66.357 1.00 51.12 H new ATOM 0 HA LYS A 1 42.635 61.355 67.672 1.00 11.42 H new ATOM 0 HB2 LYS A 1 42.242 63.323 65.787 1.00 2.35 H new ATOM 0 HB3 LYS A 1 41.947 64.215 67.266 1.00 2.35 H new ATOM 0 HG2 LYS A 1 44.207 64.525 67.144 1.00 0.00 H new ATOM 0 HG3 LYS A 1 44.215 63.011 68.026 1.00 0.00 H new ATOM 0 HD2 LYS A 1 44.630 61.736 66.015 1.00 33.34 H new ATOM 0 HD3 LYS A 1 44.315 63.122 64.991 1.00 33.34 H new ATOM 0 HE2 LYS A 1 46.598 63.275 65.000 1.00 62.12 H new ATOM 0 HE3 LYS A 1 46.306 64.180 66.472 1.00 62.12 H new ATOM 0 HZ1 LYS A 1 47.996 62.497 66.799 1.00 51.33 H new ATOM 0 HZ2 LYS A 1 46.637 62.146 67.754 1.00 51.33 H new ATOM 0 HZ3 LYS A 1 46.921 61.270 66.328 1.00 51.33 H new ATOM 23 N GLN A 2 40.019 63.041 68.775 1.00 74.32 N ATOM 24 CA GLN A 2 39.301 63.431 69.982 1.00 12.04 C ATOM 25 C GLN A 2 37.927 62.773 70.036 1.00 10.04 C ATOM 26 O GLN A 2 37.055 63.068 69.218 1.00 24.33 O ATOM 27 CB GLN A 2 39.154 64.953 70.045 1.00 32.23 C ATOM 28 CG GLN A 2 40.236 65.635 70.865 1.00 55.20 C ATOM 29 CD GLN A 2 41.483 65.931 70.055 1.00 42.52 C ATOM 30 OE1 GLN A 2 42.574 65.458 70.379 1.00 54.13 O ATOM 31 NE2 GLN A 2 41.330 66.714 68.995 1.00 72.20 N ATOM 0 H GLN A 2 39.538 63.272 67.905 1.00 74.32 H new ATOM 0 HA GLN A 2 39.879 63.093 70.842 1.00 12.04 H new ATOM 0 HB2 GLN A 2 39.171 65.354 69.031 1.00 32.23 H new ATOM 0 HB3 GLN A 2 38.180 65.198 70.468 1.00 32.23 H new ATOM 0 HG2 GLN A 2 39.844 66.566 71.274 1.00 55.20 H new ATOM 0 HG3 GLN A 2 40.499 65.001 71.711 1.00 55.20 H new ATOM 0 HE21 GLN A 2 40.408 67.084 68.763 1.00 72.20 H new ATOM 0 HE22 GLN A 2 42.134 66.946 68.412 1.00 72.20 H new ATOM 40 N GLN A 3 37.740 61.881 71.002 1.00 1.51 N ATOM 41 CA GLN A 3 36.471 61.179 71.160 1.00 74.15 C ATOM 42 C GLN A 3 35.416 62.096 71.769 1.00 31.12 C ATOM 43 O GLN A 3 34.343 62.292 71.196 1.00 3.33 O ATOM 44 CB GLN A 3 36.655 59.941 72.038 1.00 1.30 C ATOM 45 CG GLN A 3 37.557 58.885 71.421 1.00 64.02 C ATOM 46 CD GLN A 3 38.463 58.222 72.440 1.00 3.24 C ATOM 47 OE1 GLN A 3 38.221 58.297 73.645 1.00 35.32 O ATOM 48 NE2 GLN A 3 39.513 57.566 71.961 1.00 64.43 N ATOM 0 H GLN A 3 38.451 61.627 71.688 1.00 1.51 H new ATOM 0 HA GLN A 3 36.131 60.868 70.172 1.00 74.15 H new ATOM 0 HB2 GLN A 3 37.071 60.246 72.998 1.00 1.30 H new ATOM 0 HB3 GLN A 3 35.679 59.500 72.239 1.00 1.30 H new ATOM 0 HG2 GLN A 3 36.942 58.125 70.938 1.00 64.02 H new ATOM 0 HG3 GLN A 3 38.167 59.344 70.643 1.00 64.02 H new ATOM 0 HE21 GLN A 3 39.676 57.529 70.955 1.00 64.43 H new ATOM 0 HE22 GLN A 3 40.157 57.099 72.599 1.00 64.43 H new ATOM 57 N LEU A 4 35.725 62.657 72.933 1.00 21.04 N ATOM 58 CA LEU A 4 34.803 63.554 73.620 1.00 3.15 C ATOM 59 C LEU A 4 34.110 64.485 72.630 1.00 14.44 C ATOM 60 O LEU A 4 32.902 64.708 72.714 1.00 53.24 O ATOM 61 CB LEU A 4 35.548 64.374 74.675 1.00 23.13 C ATOM 62 CG LEU A 4 36.081 63.595 75.877 1.00 13.12 C ATOM 63 CD1 LEU A 4 37.026 64.460 76.697 1.00 64.23 C ATOM 64 CD2 LEU A 4 34.932 63.094 76.740 1.00 25.04 C ATOM 0 H LEU A 4 36.608 62.506 73.421 1.00 21.04 H new ATOM 0 HA LEU A 4 34.043 62.947 74.112 1.00 3.15 H new ATOM 0 HB2 LEU A 4 36.387 64.875 74.191 1.00 23.13 H new ATOM 0 HB3 LEU A 4 34.879 65.153 75.040 1.00 23.13 H new ATOM 0 HG LEU A 4 36.637 62.732 75.509 1.00 13.12 H new ATOM 0 HD11 LEU A 4 37.396 63.889 77.549 1.00 64.23 H new ATOM 0 HD12 LEU A 4 37.866 64.770 76.076 1.00 64.23 H new ATOM 0 HD13 LEU A 4 36.494 65.342 77.055 1.00 64.23 H new ATOM 0 HD21 LEU A 4 35.330 62.542 77.591 1.00 25.04 H new ATOM 0 HD22 LEU A 4 34.349 63.943 77.099 1.00 25.04 H new ATOM 0 HD23 LEU A 4 34.292 62.438 76.149 1.00 25.04 H new ATOM 76 N GLN A 5 34.883 65.024 71.693 1.00 51.41 N ATOM 77 CA GLN A 5 34.342 65.930 70.687 1.00 63.31 C ATOM 78 C GLN A 5 33.286 65.232 69.837 1.00 31.05 C ATOM 79 O GLN A 5 33.610 64.427 68.964 1.00 53.11 O ATOM 80 CB GLN A 5 35.465 66.460 69.791 1.00 51.30 C ATOM 81 CG GLN A 5 35.856 67.898 70.093 1.00 11.25 C ATOM 82 CD GLN A 5 34.991 68.903 69.361 1.00 74.21 C ATOM 83 OE1 GLN A 5 35.320 69.335 68.256 1.00 33.33 O ATOM 84 NE2 GLN A 5 33.876 69.284 69.975 1.00 52.01 N ATOM 0 H GLN A 5 35.884 64.849 71.609 1.00 51.41 H new ATOM 0 HA GLN A 5 33.872 66.767 71.204 1.00 63.31 H new ATOM 0 HB2 GLN A 5 36.341 65.822 69.905 1.00 51.30 H new ATOM 0 HB3 GLN A 5 35.152 66.388 68.749 1.00 51.30 H new ATOM 0 HG2 GLN A 5 35.781 68.073 71.166 1.00 11.25 H new ATOM 0 HG3 GLN A 5 36.899 68.053 69.817 1.00 11.25 H new ATOM 0 HE21 GLN A 5 33.641 68.901 70.891 1.00 52.01 H new ATOM 0 HE22 GLN A 5 33.255 69.960 69.531 1.00 52.01 H new ATOM 93 N GLU A 6 32.020 65.547 70.099 1.00 43.01 N ATOM 94 CA GLU A 6 30.916 64.947 69.358 1.00 72.22 C ATOM 95 C GLU A 6 30.436 65.879 68.249 1.00 62.35 C ATOM 96 O GLU A 6 30.009 67.005 68.510 1.00 62.41 O ATOM 97 CB GLU A 6 29.758 64.621 70.302 1.00 1.22 C ATOM 98 CG GLU A 6 29.681 63.153 70.687 1.00 42.03 C ATOM 99 CD GLU A 6 29.350 62.951 72.153 1.00 34.33 C ATOM 100 OE1 GLU A 6 28.614 63.788 72.716 1.00 75.10 O ATOM 101 OE2 GLU A 6 29.825 61.955 72.737 1.00 21.45 O ATOM 0 H GLU A 6 31.735 66.213 70.817 1.00 43.01 H new ATOM 0 HA GLU A 6 31.275 64.024 68.903 1.00 72.22 H new ATOM 0 HB2 GLU A 6 29.858 65.220 71.207 1.00 1.22 H new ATOM 0 HB3 GLU A 6 28.821 64.913 69.828 1.00 1.22 H new ATOM 0 HG2 GLU A 6 28.924 62.660 70.076 1.00 42.03 H new ATOM 0 HG3 GLU A 6 30.633 62.672 70.464 1.00 42.03 H new ATOM 108 N HIS A 7 30.511 65.403 67.011 1.00 60.41 N ATOM 109 CA HIS A 7 30.084 66.193 65.861 1.00 73.31 C ATOM 110 C HIS A 7 28.561 66.249 65.775 1.00 45.40 C ATOM 111 O HIS A 7 27.972 67.328 65.728 1.00 11.45 O ATOM 112 CB HIS A 7 30.658 65.607 64.571 1.00 24.41 C ATOM 113 CG HIS A 7 31.917 66.280 64.115 1.00 33.34 C ATOM 114 ND1 HIS A 7 32.968 66.562 64.961 1.00 32.02 N ATOM 115 CD2 HIS A 7 32.288 66.725 62.893 1.00 65.33 C ATOM 116 CE1 HIS A 7 33.932 67.154 64.279 1.00 71.21 C ATOM 117 NE2 HIS A 7 33.546 67.264 63.022 1.00 20.52 N ATOM 0 H HIS A 7 30.863 64.475 66.778 1.00 60.41 H new ATOM 0 HA HIS A 7 30.461 67.208 65.989 1.00 73.31 H new ATOM 0 HB2 HIS A 7 30.857 64.546 64.721 1.00 24.41 H new ATOM 0 HB3 HIS A 7 29.909 65.683 63.783 1.00 24.41 H new ATOM 0 HD2 HIS A 7 31.705 66.668 61.986 1.00 65.33 H new ATOM 0 HE1 HIS A 7 34.876 67.491 64.682 1.00 71.21 H new ATOM 0 HE2 HIS A 7 34.092 67.681 62.268 1.00 20.52 H new ATOM 125 N ALA A 8 27.932 65.078 65.754 1.00 72.22 N ATOM 126 CA ALA A 8 26.479 64.995 65.675 1.00 22.03 C ATOM 127 C ALA A 8 25.906 64.246 66.874 1.00 45.13 C ATOM 128 O ALA A 8 26.502 63.300 67.388 1.00 22.23 O ATOM 129 CB ALA A 8 26.060 64.317 64.378 1.00 35.14 C ATOM 0 H ALA A 8 28.405 64.175 65.791 1.00 72.22 H new ATOM 0 HA ALA A 8 26.080 66.009 65.689 1.00 22.03 H new ATOM 0 HB1 ALA A 8 24.972 64.261 64.331 1.00 35.14 H new ATOM 0 HB2 ALA A 8 26.430 64.893 63.530 1.00 35.14 H new ATOM 0 HB3 ALA A 8 26.477 63.310 64.343 1.00 35.14 H new ATOM 135 N PRO A 9 24.722 64.679 67.332 1.00 64.52 N ATOM 136 CA PRO A 9 24.043 64.064 68.477 1.00 62.45 C ATOM 137 C PRO A 9 23.519 62.668 68.158 1.00 62.45 C ATOM 138 O PRO A 9 23.694 62.167 67.046 1.00 73.25 O ATOM 139 CB PRO A 9 22.882 65.020 68.756 1.00 30.43 C ATOM 140 CG PRO A 9 22.620 65.690 67.450 1.00 63.11 C ATOM 141 CD PRO A 9 23.955 65.803 66.768 1.00 1.43 C ATOM 0 HA PRO A 9 24.714 63.929 69.325 1.00 62.45 H new ATOM 0 HB2 PRO A 9 22.002 64.482 69.108 1.00 30.43 H new ATOM 0 HB3 PRO A 9 23.143 65.745 69.527 1.00 30.43 H new ATOM 0 HG2 PRO A 9 21.921 65.110 66.847 1.00 63.11 H new ATOM 0 HG3 PRO A 9 22.173 66.673 67.598 1.00 63.11 H new ATOM 0 HD2 PRO A 9 23.861 65.722 65.685 1.00 1.43 H new ATOM 0 HD3 PRO A 9 24.433 66.760 66.976 1.00 1.43 H new ATOM 149 N SER A 10 22.877 62.044 69.139 1.00 33.01 N ATOM 150 CA SER A 10 22.330 60.704 68.964 1.00 0.33 C ATOM 151 C SER A 10 20.910 60.764 68.410 1.00 40.13 C ATOM 152 O SER A 10 20.066 61.505 68.915 1.00 0.10 O ATOM 153 CB SER A 10 22.339 59.948 70.294 1.00 42.25 C ATOM 154 OG SER A 10 23.024 58.713 70.175 1.00 62.34 O ATOM 0 H SER A 10 22.723 62.445 70.064 1.00 33.01 H new ATOM 0 HA SER A 10 22.958 60.173 68.248 1.00 0.33 H new ATOM 0 HB2 SER A 10 22.816 60.559 71.060 1.00 42.25 H new ATOM 0 HB3 SER A 10 21.315 59.769 70.621 1.00 42.25 H new ATOM 0 HG SER A 10 23.017 58.250 71.039 1.00 62.34 H new ATOM 160 N HIS A 11 20.654 59.978 67.369 1.00 53.03 N ATOM 161 CA HIS A 11 19.335 59.941 66.746 1.00 71.44 C ATOM 162 C HIS A 11 18.255 59.633 67.778 1.00 20.33 C ATOM 163 O HIS A 11 17.362 60.444 68.018 1.00 21.45 O ATOM 164 CB HIS A 11 19.305 58.896 65.630 1.00 72.23 C ATOM 165 CG HIS A 11 19.366 59.487 64.255 1.00 1.31 C ATOM 166 ND1 HIS A 11 18.282 60.077 63.640 1.00 4.14 N ATOM 167 CD2 HIS A 11 20.391 59.577 63.375 1.00 61.01 C ATOM 168 CE1 HIS A 11 18.637 60.502 62.441 1.00 70.34 C ATOM 169 NE2 HIS A 11 19.912 60.212 62.256 1.00 41.10 N ATOM 0 H HIS A 11 21.341 59.359 66.939 1.00 53.03 H new ATOM 0 HA HIS A 11 19.134 60.923 66.319 1.00 71.44 H new ATOM 0 HB2 HIS A 11 20.144 58.213 65.761 1.00 72.23 H new ATOM 0 HB3 HIS A 11 18.394 58.304 65.722 1.00 72.23 H new ATOM 0 HD2 HIS A 11 21.398 59.216 63.525 1.00 61.01 H new ATOM 0 HE1 HIS A 11 17.994 61.002 61.732 1.00 70.34 H new ATOM 0 HE2 HIS A 11 20.453 60.425 61.418 1.00 41.10 H new ATOM 177 N ALA A 12 18.343 58.454 68.385 1.00 45.54 N ATOM 178 CA ALA A 12 17.374 58.039 69.392 1.00 44.03 C ATOM 179 C ALA A 12 15.992 57.845 68.778 1.00 25.20 C ATOM 180 O ALA A 12 14.982 58.224 69.368 1.00 72.14 O ATOM 181 CB ALA A 12 17.315 59.059 70.520 1.00 21.24 C ATOM 0 H ALA A 12 19.075 57.769 68.197 1.00 45.54 H new ATOM 0 HA ALA A 12 17.699 57.082 69.800 1.00 44.03 H new ATOM 0 HB1 ALA A 12 16.587 58.736 71.265 1.00 21.24 H new ATOM 0 HB2 ALA A 12 18.297 59.144 70.985 1.00 21.24 H new ATOM 0 HB3 ALA A 12 17.018 60.028 70.119 1.00 21.24 H new ATOM 187 N ASN A 13 15.957 57.254 67.587 1.00 2.40 N ATOM 188 CA ASN A 13 14.698 57.011 66.892 1.00 62.55 C ATOM 189 C ASN A 13 14.217 55.582 67.119 1.00 43.11 C ATOM 190 O ASN A 13 13.066 55.354 67.493 1.00 50.13 O ATOM 191 CB ASN A 13 14.860 57.275 65.394 1.00 2.32 C ATOM 192 CG ASN A 13 14.358 58.648 64.990 1.00 42.44 C ATOM 193 OD1 ASN A 13 13.975 59.455 65.837 1.00 51.44 O ATOM 194 ND2 ASN A 13 14.360 58.919 63.690 1.00 30.22 N ATOM 0 H ASN A 13 16.785 56.935 67.084 1.00 2.40 H new ATOM 0 HA ASN A 13 13.951 57.694 67.296 1.00 62.55 H new ATOM 0 HB2 ASN A 13 15.912 57.182 65.123 1.00 2.32 H new ATOM 0 HB3 ASN A 13 14.318 56.514 64.833 1.00 2.32 H new ATOM 0 HD21 ASN A 13 14.035 59.827 63.358 1.00 30.22 H new ATOM 0 HD22 ASN A 13 14.687 58.219 63.024 1.00 30.22 H new ATOM 201 N LEU A 14 15.107 54.622 66.892 1.00 4.42 N ATOM 202 CA LEU A 14 14.775 53.212 67.073 1.00 74.52 C ATOM 203 C LEU A 14 15.523 52.625 68.265 1.00 13.23 C ATOM 204 O LEU A 14 15.597 51.407 68.426 1.00 32.22 O ATOM 205 CB LEU A 14 15.110 52.422 65.806 1.00 75.34 C ATOM 206 CG LEU A 14 14.013 52.360 64.744 1.00 31.02 C ATOM 207 CD1 LEU A 14 14.447 53.094 63.485 1.00 32.34 C ATOM 208 CD2 LEU A 14 13.660 50.915 64.426 1.00 3.24 C ATOM 0 H LEU A 14 16.064 54.794 66.582 1.00 4.42 H new ATOM 0 HA LEU A 14 13.705 53.138 67.267 1.00 74.52 H new ATOM 0 HB2 LEU A 14 16.001 52.859 65.354 1.00 75.34 H new ATOM 0 HB3 LEU A 14 15.366 51.403 66.095 1.00 75.34 H new ATOM 0 HG LEU A 14 13.124 52.852 65.138 1.00 31.02 H new ATOM 0 HD11 LEU A 14 13.653 53.039 62.740 1.00 32.34 H new ATOM 0 HD12 LEU A 14 14.649 54.138 63.724 1.00 32.34 H new ATOM 0 HD13 LEU A 14 15.350 52.632 63.087 1.00 32.34 H new ATOM 0 HD21 LEU A 14 12.877 50.890 63.668 1.00 3.24 H new ATOM 0 HD22 LEU A 14 14.544 50.398 64.052 1.00 3.24 H new ATOM 0 HD23 LEU A 14 13.306 50.420 65.330 1.00 3.24 H new ATOM 220 N ASP A 15 16.074 53.499 69.100 1.00 73.43 N ATOM 221 CA ASP A 15 16.814 53.068 70.280 1.00 1.01 C ATOM 222 C ASP A 15 16.182 51.821 70.892 1.00 54.22 C ATOM 223 O ASP A 15 16.866 50.834 71.161 1.00 12.30 O ATOM 224 CB ASP A 15 16.862 54.192 71.317 1.00 43.40 C ATOM 225 CG ASP A 15 18.184 54.237 72.059 1.00 34.02 C ATOM 226 OD1 ASP A 15 18.684 53.161 72.445 1.00 43.14 O ATOM 227 OD2 ASP A 15 18.717 55.350 72.254 1.00 2.20 O ATOM 0 H ASP A 15 16.022 54.511 68.981 1.00 73.43 H new ATOM 0 HA ASP A 15 17.831 52.825 69.972 1.00 1.01 H new ATOM 0 HB2 ASP A 15 16.694 55.148 70.821 1.00 43.40 H new ATOM 0 HB3 ASP A 15 16.051 54.057 72.033 1.00 43.40 H new ATOM 232 N VAL A 16 14.872 51.875 71.110 1.00 54.40 N ATOM 233 CA VAL A 16 14.147 50.751 71.691 1.00 31.30 C ATOM 234 C VAL A 16 14.416 49.465 70.917 1.00 61.43 C ATOM 235 O VAL A 16 15.135 49.468 69.917 1.00 3.23 O ATOM 236 CB VAL A 16 12.629 51.014 71.716 1.00 61.31 C ATOM 237 CG1 VAL A 16 12.297 52.132 72.692 1.00 23.43 C ATOM 238 CG2 VAL A 16 12.124 51.346 70.320 1.00 33.11 C ATOM 0 H VAL A 16 14.291 52.685 70.893 1.00 54.40 H new ATOM 0 HA VAL A 16 14.505 50.638 72.714 1.00 31.30 H new ATOM 0 HB VAL A 16 12.126 50.108 72.054 1.00 61.31 H new ATOM 0 HG11 VAL A 16 11.221 52.304 72.696 1.00 23.43 H new ATOM 0 HG12 VAL A 16 12.623 51.850 73.693 1.00 23.43 H new ATOM 0 HG13 VAL A 16 12.809 53.045 72.387 1.00 23.43 H new ATOM 0 HG21 VAL A 16 11.050 51.529 70.356 1.00 33.11 H new ATOM 0 HG22 VAL A 16 12.632 52.237 69.952 1.00 33.11 H new ATOM 0 HG23 VAL A 16 12.328 50.510 69.651 1.00 33.11 H new ATOM 248 N LYS A 17 13.833 48.366 71.385 1.00 23.30 N ATOM 249 CA LYS A 17 14.007 47.072 70.736 1.00 52.53 C ATOM 250 C LYS A 17 12.721 46.632 70.046 1.00 1.45 C ATOM 251 O LYS A 17 11.703 47.321 70.111 1.00 11.41 O ATOM 252 CB LYS A 17 14.435 46.019 71.762 1.00 32.13 C ATOM 253 CG LYS A 17 15.783 46.304 72.401 1.00 30.04 C ATOM 254 CD LYS A 17 15.799 45.909 73.869 1.00 21.52 C ATOM 255 CE LYS A 17 17.187 46.061 74.471 1.00 11.14 C ATOM 256 NZ LYS A 17 17.952 44.785 74.429 1.00 25.13 N ATOM 0 H LYS A 17 13.236 48.346 72.212 1.00 23.30 H new ATOM 0 HA LYS A 17 14.786 47.173 69.981 1.00 52.53 H new ATOM 0 HB2 LYS A 17 13.678 45.957 72.544 1.00 32.13 H new ATOM 0 HB3 LYS A 17 14.472 45.044 71.276 1.00 32.13 H new ATOM 0 HG2 LYS A 17 16.562 45.759 71.868 1.00 30.04 H new ATOM 0 HG3 LYS A 17 16.015 47.365 72.306 1.00 30.04 H new ATOM 0 HD2 LYS A 17 15.092 46.528 74.421 1.00 21.52 H new ATOM 0 HD3 LYS A 17 15.467 44.876 73.973 1.00 21.52 H new ATOM 0 HE2 LYS A 17 17.736 46.831 73.929 1.00 11.14 H new ATOM 0 HE3 LYS A 17 17.100 46.399 75.504 1.00 11.14 H new ATOM 0 HZ1 LYS A 17 18.893 44.930 74.848 1.00 25.13 H new ATOM 0 HZ2 LYS A 17 17.441 44.056 74.967 1.00 25.13 H new ATOM 0 HZ3 LYS A 17 18.057 44.476 73.442 1.00 25.13 H new ATOM 270 N TRP A 18 12.773 45.480 69.386 1.00 73.14 N ATOM 271 CA TRP A 18 11.611 44.948 68.684 1.00 54.24 C ATOM 272 C TRP A 18 10.406 44.861 69.615 1.00 64.12 C ATOM 273 O TRP A 18 10.501 45.181 70.800 1.00 74.43 O ATOM 274 CB TRP A 18 11.926 43.568 68.107 1.00 52.41 C ATOM 275 CG TRP A 18 13.312 43.460 67.545 1.00 73.40 C ATOM 276 CD1 TRP A 18 14.008 44.436 66.890 1.00 31.34 C ATOM 277 CD2 TRP A 18 14.167 42.314 67.588 1.00 52.23 C ATOM 278 NE1 TRP A 18 15.245 43.964 66.522 1.00 51.12 N ATOM 279 CE2 TRP A 18 15.368 42.665 66.941 1.00 62.32 C ATOM 280 CE3 TRP A 18 14.038 41.026 68.113 1.00 2.55 C ATOM 281 CZ2 TRP A 18 16.428 41.773 66.804 1.00 60.02 C ATOM 282 CZ3 TRP A 18 15.091 40.141 67.977 1.00 65.42 C ATOM 283 CH2 TRP A 18 16.274 40.519 67.327 1.00 23.25 C ATOM 0 H TRP A 18 13.607 44.897 69.323 1.00 73.14 H new ATOM 0 HA TRP A 18 11.368 45.628 67.868 1.00 54.24 H new ATOM 0 HB2 TRP A 18 11.799 42.818 68.888 1.00 52.41 H new ATOM 0 HB3 TRP A 18 11.205 43.337 67.323 1.00 52.41 H new ATOM 0 HD1 TRP A 18 13.640 45.432 66.691 1.00 31.34 H new ATOM 0 HE1 TRP A 18 15.956 44.494 66.019 1.00 51.12 H new ATOM 0 HE3 TRP A 18 13.131 40.727 68.617 1.00 2.55 H new ATOM 0 HZ2 TRP A 18 17.340 42.061 66.302 1.00 60.02 H new ATOM 0 HZ3 TRP A 18 15.001 39.142 68.378 1.00 65.42 H new ATOM 0 HH2 TRP A 18 17.080 39.806 67.237 1.00 23.25 H new ATOM 294 N LEU A 19 9.275 44.426 69.071 1.00 75.15 N ATOM 295 CA LEU A 19 8.050 44.296 69.855 1.00 63.42 C ATOM 296 C LEU A 19 8.208 43.237 70.939 1.00 10.43 C ATOM 297 O LEU A 19 7.523 43.274 71.962 1.00 41.24 O ATOM 298 CB LEU A 19 6.875 43.939 68.943 1.00 74.04 C ATOM 299 CG LEU A 19 5.635 44.826 69.070 1.00 31.55 C ATOM 300 CD1 LEU A 19 5.182 44.906 70.519 1.00 34.32 C ATOM 301 CD2 LEU A 19 5.915 46.217 68.518 1.00 15.23 C ATOM 0 H LEU A 19 9.180 44.157 68.092 1.00 75.15 H new ATOM 0 HA LEU A 19 7.851 45.254 70.336 1.00 63.42 H new ATOM 0 HB2 LEU A 19 7.219 43.975 67.909 1.00 74.04 H new ATOM 0 HB3 LEU A 19 6.583 42.909 69.146 1.00 74.04 H new ATOM 0 HG LEU A 19 4.831 44.380 68.484 1.00 31.55 H new ATOM 0 HD11 LEU A 19 4.299 45.541 70.590 1.00 34.32 H new ATOM 0 HD12 LEU A 19 4.940 43.906 70.880 1.00 34.32 H new ATOM 0 HD13 LEU A 19 5.982 45.328 71.128 1.00 34.32 H new ATOM 0 HD21 LEU A 19 5.022 46.834 68.617 1.00 15.23 H new ATOM 0 HD22 LEU A 19 6.734 46.672 69.076 1.00 15.23 H new ATOM 0 HD23 LEU A 19 6.190 46.142 67.466 1.00 15.23 H new ATOM 313 N ASP A 20 9.114 42.293 70.710 1.00 0.21 N ATOM 314 CA ASP A 20 9.364 41.224 71.670 1.00 11.14 C ATOM 315 C ASP A 20 9.384 41.766 73.095 1.00 0.45 C ATOM 316 O ASP A 20 8.913 41.113 74.025 1.00 4.51 O ATOM 317 CB ASP A 20 10.690 40.528 71.357 1.00 44.32 C ATOM 318 CG ASP A 20 10.543 39.023 71.249 1.00 43.22 C ATOM 319 OD1 ASP A 20 10.353 38.369 72.295 1.00 54.33 O ATOM 320 OD2 ASP A 20 10.620 38.499 70.118 1.00 22.01 O ATOM 0 H ASP A 20 9.688 42.246 69.868 1.00 0.21 H new ATOM 0 HA ASP A 20 8.554 40.499 71.588 1.00 11.14 H new ATOM 0 HB2 ASP A 20 11.090 40.919 70.422 1.00 44.32 H new ATOM 0 HB3 ASP A 20 11.414 40.764 72.137 1.00 44.32 H new ATOM 325 N GLY A 21 9.933 42.966 73.259 1.00 34.22 N ATOM 326 CA GLY A 21 10.005 43.575 74.573 1.00 52.54 C ATOM 327 C GLY A 21 11.257 44.409 74.759 1.00 65.43 C ATOM 328 O GLY A 21 12.043 44.579 73.825 1.00 53.42 O ATOM 0 H GLY A 21 10.329 43.527 72.505 1.00 34.22 H new ATOM 0 HA2 GLY A 21 9.128 44.203 74.727 1.00 52.54 H new ATOM 0 HA3 GLY A 21 9.976 42.795 75.334 1.00 52.54 H new ATOM 332 N LEU A 22 11.446 44.931 75.966 1.00 34.23 N ATOM 333 CA LEU A 22 12.612 45.753 76.270 1.00 54.23 C ATOM 334 C LEU A 22 13.153 45.437 77.661 1.00 63.31 C ATOM 335 O LEU A 22 12.391 45.145 78.583 1.00 74.53 O ATOM 336 CB LEU A 22 12.253 47.237 76.176 1.00 30.34 C ATOM 337 CG LEU A 22 12.469 47.895 74.812 1.00 24.15 C ATOM 338 CD1 LEU A 22 11.307 47.585 73.881 1.00 31.23 C ATOM 339 CD2 LEU A 22 12.644 49.398 74.967 1.00 63.14 C ATOM 0 H LEU A 22 10.807 44.800 76.750 1.00 34.23 H new ATOM 0 HA LEU A 22 13.387 45.526 75.538 1.00 54.23 H new ATOM 0 HB2 LEU A 22 11.205 47.355 76.452 1.00 30.34 H new ATOM 0 HB3 LEU A 22 12.841 47.780 76.916 1.00 30.34 H new ATOM 0 HG LEU A 22 13.379 47.487 74.373 1.00 24.15 H new ATOM 0 HD11 LEU A 22 11.477 48.061 72.915 1.00 31.23 H new ATOM 0 HD12 LEU A 22 11.228 46.506 73.745 1.00 31.23 H new ATOM 0 HD13 LEU A 22 10.382 47.965 74.315 1.00 31.23 H new ATOM 0 HD21 LEU A 22 12.797 49.850 73.987 1.00 63.14 H new ATOM 0 HD22 LEU A 22 11.752 49.823 75.427 1.00 63.14 H new ATOM 0 HD23 LEU A 22 13.509 49.600 75.598 1.00 63.14 H new ATOM 351 N ARG A 23 14.472 45.499 77.805 1.00 44.15 N ATOM 352 CA ARG A 23 15.115 45.220 79.083 1.00 45.15 C ATOM 353 C ARG A 23 15.420 46.514 79.832 1.00 43.24 C ATOM 354 O ARG A 23 15.201 46.610 81.038 1.00 51.32 O ATOM 355 CB ARG A 23 16.406 44.427 78.867 1.00 62.51 C ATOM 356 CG ARG A 23 16.573 43.262 79.828 1.00 41.22 C ATOM 357 CD ARG A 23 18.038 42.890 80.004 1.00 21.24 C ATOM 358 NE ARG A 23 18.201 41.520 80.481 1.00 22.12 N ATOM 359 CZ ARG A 23 19.311 41.068 81.054 1.00 41.24 C ATOM 360 NH1 ARG A 23 20.350 41.875 81.220 1.00 50.22 N ATOM 361 NH2 ARG A 23 19.383 39.808 81.463 1.00 22.33 N ATOM 0 H ARG A 23 15.117 45.740 77.052 1.00 44.15 H new ATOM 0 HA ARG A 23 14.428 44.625 79.684 1.00 45.15 H new ATOM 0 HB2 ARG A 23 16.424 44.049 77.845 1.00 62.51 H new ATOM 0 HB3 ARG A 23 17.257 45.099 78.973 1.00 62.51 H new ATOM 0 HG2 ARG A 23 16.144 43.523 80.796 1.00 41.22 H new ATOM 0 HG3 ARG A 23 16.020 42.400 79.456 1.00 41.22 H new ATOM 0 HD2 ARG A 23 18.558 43.007 79.053 1.00 21.24 H new ATOM 0 HD3 ARG A 23 18.504 43.577 80.710 1.00 21.24 H new ATOM 0 HE ARG A 23 17.420 40.874 80.368 1.00 22.12 H new ATOM 0 HH11 ARG A 23 20.298 42.845 80.908 1.00 50.22 H new ATOM 0 HH12 ARG A 23 21.201 41.526 81.660 1.00 50.22 H new ATOM 0 HH21 ARG A 23 18.585 39.185 81.338 1.00 22.33 H new ATOM 0 HH22 ARG A 23 20.236 39.463 81.903 1.00 22.33 H new ATOM 375 N ALA A 24 15.928 47.506 79.107 1.00 45.31 N ATOM 376 CA ALA A 24 16.261 48.793 79.702 1.00 51.24 C ATOM 377 C ALA A 24 15.083 49.759 79.618 1.00 41.31 C ATOM 378 O ALA A 24 14.213 49.617 78.761 1.00 13.02 O ATOM 379 CB ALA A 24 17.484 49.389 79.020 1.00 64.34 C ATOM 0 H ALA A 24 16.118 47.442 78.107 1.00 45.31 H new ATOM 0 HA ALA A 24 16.489 48.630 80.755 1.00 51.24 H new ATOM 0 HB1 ALA A 24 17.722 50.351 79.475 1.00 64.34 H new ATOM 0 HB2 ALA A 24 18.331 48.713 79.137 1.00 64.34 H new ATOM 0 HB3 ALA A 24 17.276 49.531 77.959 1.00 64.34 H new ATOM 385 N GLY A 25 15.063 50.740 80.515 1.00 62.31 N ATOM 386 CA GLY A 25 13.988 51.714 80.524 1.00 14.13 C ATOM 387 C GLY A 25 12.636 51.087 80.243 1.00 11.13 C ATOM 388 O GLY A 25 12.445 49.888 80.449 1.00 64.32 O ATOM 0 H GLY A 25 15.772 50.877 81.235 1.00 62.31 H new ATOM 0 HA2 GLY A 25 13.960 52.211 81.494 1.00 14.13 H new ATOM 0 HA3 GLY A 25 14.191 52.482 79.778 1.00 14.13 H new ATOM 392 N SER A 26 11.695 51.900 79.774 1.00 23.54 N ATOM 393 CA SER A 26 10.352 51.419 79.469 1.00 2.22 C ATOM 394 C SER A 26 9.713 50.778 80.698 1.00 30.32 C ATOM 395 O SER A 26 9.065 49.736 80.601 1.00 45.35 O ATOM 396 CB SER A 26 10.397 50.411 78.320 1.00 24.34 C ATOM 397 OG SER A 26 10.758 51.042 77.103 1.00 21.45 O ATOM 0 H SER A 26 11.837 52.894 79.597 1.00 23.54 H new ATOM 0 HA SER A 26 9.746 52.274 79.169 1.00 2.22 H new ATOM 0 HB2 SER A 26 11.113 49.623 78.551 1.00 24.34 H new ATOM 0 HB3 SER A 26 9.423 49.935 78.211 1.00 24.34 H new ATOM 0 HG SER A 26 11.729 51.168 77.075 1.00 21.45 H new ATOM 403 N MET A 27 9.901 51.408 81.852 1.00 62.24 N ATOM 404 CA MET A 27 9.343 50.901 83.100 1.00 35.21 C ATOM 405 C MET A 27 7.869 51.272 83.226 1.00 0.13 C ATOM 406 O MET A 27 7.070 50.507 83.767 1.00 43.44 O ATOM 407 CB MET A 27 10.123 51.453 84.295 1.00 21.04 C ATOM 408 CG MET A 27 10.093 52.969 84.391 1.00 15.41 C ATOM 409 SD MET A 27 11.504 53.745 83.580 1.00 11.13 S ATOM 410 CE MET A 27 10.690 54.604 82.235 1.00 50.43 C ATOM 0 H MET A 27 10.436 52.271 81.949 1.00 62.24 H new ATOM 0 HA MET A 27 9.427 49.814 83.091 1.00 35.21 H new ATOM 0 HB2 MET A 27 9.713 51.031 85.213 1.00 21.04 H new ATOM 0 HB3 MET A 27 11.159 51.122 84.227 1.00 21.04 H new ATOM 0 HG2 MET A 27 9.172 53.339 83.941 1.00 15.41 H new ATOM 0 HG3 MET A 27 10.076 53.262 85.441 1.00 15.41 H new ATOM 0 HE1 MET A 27 10.883 54.080 81.299 1.00 50.43 H new ATOM 0 HE2 MET A 27 9.616 54.634 82.419 1.00 50.43 H new ATOM 0 HE3 MET A 27 11.075 55.622 82.167 1.00 50.43 H new ATOM 420 N ALA A 28 7.513 52.449 82.722 1.00 54.24 N ATOM 421 CA ALA A 28 6.135 52.919 82.777 1.00 11.41 C ATOM 422 C ALA A 28 5.404 52.631 81.470 1.00 32.10 C ATOM 423 O ALA A 28 4.476 51.823 81.431 1.00 11.21 O ATOM 424 CB ALA A 28 6.097 54.408 83.089 1.00 45.04 C ATOM 0 H ALA A 28 8.161 53.095 82.271 1.00 54.24 H new ATOM 0 HA ALA A 28 5.625 52.379 83.575 1.00 11.41 H new ATOM 0 HB1 ALA A 28 5.061 54.745 83.127 1.00 45.04 H new ATOM 0 HB2 ALA A 28 6.574 54.590 84.052 1.00 45.04 H new ATOM 0 HB3 ALA A 28 6.629 54.956 82.312 1.00 45.04 H new ATOM 430 N LEU A 29 5.828 53.298 80.402 1.00 31.11 N ATOM 431 CA LEU A 29 5.212 53.114 79.093 1.00 62.50 C ATOM 432 C LEU A 29 6.040 52.165 78.231 1.00 32.43 C ATOM 433 O LEU A 29 7.095 51.692 78.651 1.00 21.42 O ATOM 434 CB LEU A 29 5.060 54.461 78.385 1.00 34.12 C ATOM 435 CG LEU A 29 3.627 54.959 78.192 1.00 14.23 C ATOM 436 CD1 LEU A 29 2.848 54.011 77.293 1.00 12.20 C ATOM 437 CD2 LEU A 29 2.930 55.114 79.536 1.00 74.54 C ATOM 0 H LEU A 29 6.595 53.970 80.417 1.00 31.11 H new ATOM 0 HA LEU A 29 4.225 52.675 79.241 1.00 62.50 H new ATOM 0 HB2 LEU A 29 5.611 55.211 78.952 1.00 34.12 H new ATOM 0 HB3 LEU A 29 5.534 54.390 77.406 1.00 34.12 H new ATOM 0 HG LEU A 29 3.665 55.936 77.710 1.00 14.23 H new ATOM 0 HD11 LEU A 29 1.831 54.382 77.167 1.00 12.20 H new ATOM 0 HD12 LEU A 29 3.335 53.950 76.320 1.00 12.20 H new ATOM 0 HD13 LEU A 29 2.819 53.020 77.747 1.00 12.20 H new ATOM 0 HD21 LEU A 29 1.912 55.469 79.379 1.00 74.54 H new ATOM 0 HD22 LEU A 29 2.904 54.151 80.046 1.00 74.54 H new ATOM 0 HD23 LEU A 29 3.475 55.833 80.148 1.00 74.54 H new ATOM 449 N GLN A 30 5.554 51.896 77.024 1.00 24.40 N ATOM 450 CA GLN A 30 6.250 51.006 76.102 1.00 24.01 C ATOM 451 C GLN A 30 6.938 51.797 74.995 1.00 32.22 C ATOM 452 O GLN A 30 6.291 52.271 74.062 1.00 1.13 O ATOM 453 CB GLN A 30 5.272 49.999 75.493 1.00 74.41 C ATOM 454 CG GLN A 30 5.007 48.795 76.382 1.00 74.10 C ATOM 455 CD GLN A 30 6.280 48.177 76.924 1.00 22.21 C ATOM 456 OE1 GLN A 30 7.349 48.308 76.327 1.00 63.11 O ATOM 457 NE2 GLN A 30 6.173 47.500 78.060 1.00 44.22 N ATOM 0 H GLN A 30 4.682 52.281 76.662 1.00 24.40 H new ATOM 0 HA GLN A 30 7.012 50.467 76.665 1.00 24.01 H new ATOM 0 HB2 GLN A 30 4.328 50.502 75.286 1.00 74.41 H new ATOM 0 HB3 GLN A 30 5.666 49.655 74.537 1.00 74.41 H new ATOM 0 HG2 GLN A 30 4.371 49.096 77.214 1.00 74.10 H new ATOM 0 HG3 GLN A 30 4.456 48.044 75.815 1.00 74.10 H new ATOM 0 HE21 GLN A 30 5.267 47.417 78.521 1.00 44.22 H new ATOM 0 HE22 GLN A 30 6.997 47.063 78.473 1.00 44.22 H new ATOM 466 N GLY A 31 8.256 51.938 75.104 1.00 52.41 N ATOM 467 CA GLY A 31 9.009 52.674 74.106 1.00 60.31 C ATOM 468 C GLY A 31 8.754 52.170 72.699 1.00 42.53 C ATOM 469 O GLY A 31 8.763 52.946 71.744 1.00 21.02 O ATOM 0 H GLY A 31 8.815 51.555 75.866 1.00 52.41 H new ATOM 0 HA2 GLY A 31 8.747 53.730 74.163 1.00 60.31 H new ATOM 0 HA3 GLY A 31 10.073 52.597 74.329 1.00 60.31 H new ATOM 473 N ASP A 32 8.527 50.867 72.572 1.00 65.55 N ATOM 474 CA ASP A 32 8.269 50.260 71.271 1.00 73.42 C ATOM 475 C ASP A 32 7.129 50.977 70.553 1.00 14.22 C ATOM 476 O ASP A 32 7.212 51.254 69.357 1.00 54.12 O ATOM 477 CB ASP A 32 7.934 48.777 71.434 1.00 32.40 C ATOM 478 CG ASP A 32 7.099 48.505 72.670 1.00 13.12 C ATOM 479 OD1 ASP A 32 5.860 48.647 72.593 1.00 52.41 O ATOM 480 OD2 ASP A 32 7.684 48.149 73.714 1.00 11.13 O ATOM 0 H ASP A 32 8.516 50.211 73.353 1.00 65.55 H new ATOM 0 HA ASP A 32 9.171 50.356 70.667 1.00 73.42 H new ATOM 0 HB2 ASP A 32 7.396 48.430 70.552 1.00 32.40 H new ATOM 0 HB3 ASP A 32 8.859 48.203 71.490 1.00 32.40 H new ATOM 485 N VAL A 33 6.064 51.272 71.293 1.00 63.15 N ATOM 486 CA VAL A 33 4.907 51.957 70.728 1.00 4.40 C ATOM 487 C VAL A 33 5.116 53.467 70.710 1.00 42.21 C ATOM 488 O VAL A 33 4.774 54.140 69.738 1.00 21.43 O ATOM 489 CB VAL A 33 3.625 51.636 71.518 1.00 41.43 C ATOM 490 CG1 VAL A 33 2.423 52.321 70.887 1.00 74.24 C ATOM 491 CG2 VAL A 33 3.411 50.133 71.599 1.00 33.13 C ATOM 0 H VAL A 33 5.979 51.047 72.284 1.00 63.15 H new ATOM 0 HA VAL A 33 4.794 51.598 69.705 1.00 4.40 H new ATOM 0 HB VAL A 33 3.739 52.018 72.532 1.00 41.43 H new ATOM 0 HG11 VAL A 33 1.526 52.082 71.459 1.00 74.24 H new ATOM 0 HG12 VAL A 33 2.577 53.400 70.888 1.00 74.24 H new ATOM 0 HG13 VAL A 33 2.302 51.972 69.861 1.00 74.24 H new ATOM 0 HG21 VAL A 33 2.500 49.925 72.161 1.00 33.13 H new ATOM 0 HG22 VAL A 33 3.318 49.724 70.593 1.00 33.13 H new ATOM 0 HG23 VAL A 33 4.261 49.671 72.101 1.00 33.13 H new ATOM 501 N LYS A 34 5.681 53.993 71.791 1.00 63.21 N ATOM 502 CA LYS A 34 5.939 55.424 71.900 1.00 4.10 C ATOM 503 C LYS A 34 6.497 55.978 70.593 1.00 45.11 C ATOM 504 O LYS A 34 6.217 57.116 70.219 1.00 31.30 O ATOM 505 CB LYS A 34 6.918 55.701 73.043 1.00 13.05 C ATOM 506 CG LYS A 34 7.524 57.093 73.001 1.00 43.42 C ATOM 507 CD LYS A 34 8.389 57.362 74.221 1.00 1.30 C ATOM 508 CE LYS A 34 9.717 57.995 73.835 1.00 71.34 C ATOM 509 NZ LYS A 34 10.688 56.984 73.331 1.00 55.40 N ATOM 0 H LYS A 34 5.969 53.450 72.605 1.00 63.21 H new ATOM 0 HA LYS A 34 4.993 55.923 72.111 1.00 4.10 H new ATOM 0 HB2 LYS A 34 6.401 55.567 73.993 1.00 13.05 H new ATOM 0 HB3 LYS A 34 7.720 54.964 73.010 1.00 13.05 H new ATOM 0 HG2 LYS A 34 8.124 57.203 72.097 1.00 43.42 H new ATOM 0 HG3 LYS A 34 6.728 57.836 72.947 1.00 43.42 H new ATOM 0 HD2 LYS A 34 7.857 58.021 74.907 1.00 1.30 H new ATOM 0 HD3 LYS A 34 8.571 56.428 74.752 1.00 1.30 H new ATOM 0 HE2 LYS A 34 9.549 58.751 73.068 1.00 71.34 H new ATOM 0 HE3 LYS A 34 10.141 58.506 74.700 1.00 71.34 H new ATOM 0 HZ1 LYS A 34 11.580 57.455 73.079 1.00 55.40 H new ATOM 0 HZ2 LYS A 34 10.868 56.276 74.071 1.00 55.40 H new ATOM 0 HZ3 LYS A 34 10.295 56.514 72.491 1.00 55.40 H new ATOM 523 N VAL A 35 7.290 55.165 69.901 1.00 0.33 N ATOM 524 CA VAL A 35 7.885 55.572 68.634 1.00 50.22 C ATOM 525 C VAL A 35 6.989 55.196 67.460 1.00 21.20 C ATOM 526 O VAL A 35 7.084 55.782 66.382 1.00 64.03 O ATOM 527 CB VAL A 35 9.271 54.931 68.435 1.00 43.11 C ATOM 528 CG1 VAL A 35 10.206 55.314 69.572 1.00 1.15 C ATOM 529 CG2 VAL A 35 9.148 53.419 68.321 1.00 32.55 C ATOM 0 H VAL A 35 7.535 54.220 70.197 1.00 0.33 H new ATOM 0 HA VAL A 35 7.996 56.656 68.669 1.00 50.22 H new ATOM 0 HB VAL A 35 9.696 55.309 67.505 1.00 43.11 H new ATOM 0 HG11 VAL A 35 11.180 54.851 69.413 1.00 1.15 H new ATOM 0 HG12 VAL A 35 10.319 56.398 69.601 1.00 1.15 H new ATOM 0 HG13 VAL A 35 9.790 54.968 70.518 1.00 1.15 H new ATOM 0 HG21 VAL A 35 10.137 52.983 68.181 1.00 32.55 H new ATOM 0 HG22 VAL A 35 8.702 53.021 69.232 1.00 32.55 H new ATOM 0 HG23 VAL A 35 8.517 53.169 67.468 1.00 32.55 H new ATOM 539 N TRP A 36 6.120 54.217 67.676 1.00 1.45 N ATOM 540 CA TRP A 36 5.205 53.763 66.634 1.00 3.42 C ATOM 541 C TRP A 36 4.614 54.946 65.876 1.00 13.35 C ATOM 542 O TRP A 36 4.253 54.827 64.706 1.00 3.13 O ATOM 543 CB TRP A 36 4.084 52.919 67.243 1.00 51.31 C ATOM 544 CG TRP A 36 2.997 52.582 66.268 1.00 20.13 C ATOM 545 CD1 TRP A 36 2.767 51.370 65.683 1.00 43.44 C ATOM 546 CD2 TRP A 36 1.993 53.470 65.763 1.00 61.11 C ATOM 547 NE1 TRP A 36 1.682 51.449 64.844 1.00 74.32 N ATOM 548 CE2 TRP A 36 1.189 52.728 64.876 1.00 43.21 C ATOM 549 CE3 TRP A 36 1.695 54.818 65.975 1.00 64.13 C ATOM 550 CZ2 TRP A 36 0.109 53.291 64.204 1.00 20.25 C ATOM 551 CZ3 TRP A 36 0.623 55.376 65.305 1.00 31.21 C ATOM 552 CH2 TRP A 36 -0.161 54.614 64.430 1.00 25.21 C ATOM 0 H TRP A 36 6.029 53.721 68.563 1.00 1.45 H new ATOM 0 HA TRP A 36 5.769 53.151 65.931 1.00 3.42 H new ATOM 0 HB2 TRP A 36 4.508 51.995 67.637 1.00 51.31 H new ATOM 0 HB3 TRP A 36 3.651 53.457 68.087 1.00 51.31 H new ATOM 0 HD1 TRP A 36 3.353 50.479 65.855 1.00 43.44 H new ATOM 0 HE1 TRP A 36 1.305 50.682 64.288 1.00 74.32 H new ATOM 0 HE3 TRP A 36 2.292 55.413 66.650 1.00 64.13 H new ATOM 0 HZ2 TRP A 36 -0.495 52.705 63.528 1.00 20.25 H new ATOM 0 HZ3 TRP A 36 0.386 56.418 65.459 1.00 31.21 H new ATOM 0 HH2 TRP A 36 -0.994 55.079 63.924 1.00 25.21 H new ATOM 563 N MET A 37 4.515 56.087 66.551 1.00 44.25 N ATOM 564 CA MET A 37 3.969 57.292 65.939 1.00 15.14 C ATOM 565 C MET A 37 5.044 58.043 65.162 1.00 62.40 C ATOM 566 O MET A 37 4.865 58.361 63.987 1.00 23.02 O ATOM 567 CB MET A 37 3.364 58.204 67.009 1.00 23.54 C ATOM 568 CG MET A 37 4.317 58.515 68.151 1.00 62.04 C ATOM 569 SD MET A 37 3.499 58.513 69.758 1.00 70.40 S ATOM 570 CE MET A 37 2.846 56.847 69.804 1.00 4.10 C ATOM 0 H MET A 37 4.806 56.202 67.522 1.00 44.25 H new ATOM 0 HA MET A 37 3.186 56.993 65.242 1.00 15.14 H new ATOM 0 HB2 MET A 37 3.050 59.138 66.543 1.00 23.54 H new ATOM 0 HB3 MET A 37 2.468 57.732 67.412 1.00 23.54 H new ATOM 0 HG2 MET A 37 5.123 57.781 68.157 1.00 62.04 H new ATOM 0 HG3 MET A 37 4.775 59.490 67.982 1.00 62.04 H new ATOM 0 HE1 MET A 37 2.963 56.438 70.808 1.00 4.10 H new ATOM 0 HE2 MET A 37 1.789 56.863 69.540 1.00 4.10 H new ATOM 0 HE3 MET A 37 3.388 56.224 69.093 1.00 4.10 H new ATOM 580 N GLN A 38 6.160 58.325 65.827 1.00 42.34 N ATOM 581 CA GLN A 38 7.264 59.041 65.197 1.00 52.33 C ATOM 582 C GLN A 38 7.777 58.284 63.977 1.00 71.34 C ATOM 583 O GLN A 38 8.313 58.882 63.045 1.00 21.25 O ATOM 584 CB GLN A 38 8.401 59.249 66.199 1.00 53.21 C ATOM 585 CG GLN A 38 9.251 58.008 66.421 1.00 14.20 C ATOM 586 CD GLN A 38 10.653 58.153 65.864 1.00 13.30 C ATOM 587 OE1 GLN A 38 11.065 59.243 65.464 1.00 11.42 O ATOM 588 NE2 GLN A 38 11.395 57.053 65.835 1.00 62.43 N ATOM 0 H GLN A 38 6.324 58.069 66.801 1.00 42.34 H new ATOM 0 HA GLN A 38 6.895 60.013 64.870 1.00 52.33 H new ATOM 0 HB2 GLN A 38 9.040 60.059 65.848 1.00 53.21 H new ATOM 0 HB3 GLN A 38 7.980 59.566 67.153 1.00 53.21 H new ATOM 0 HG2 GLN A 38 9.309 57.798 67.489 1.00 14.20 H new ATOM 0 HG3 GLN A 38 8.765 57.151 65.954 1.00 14.20 H new ATOM 0 HE21 GLN A 38 11.013 56.171 66.177 1.00 62.43 H new ATOM 0 HE22 GLN A 38 12.347 57.090 65.471 1.00 62.43 H new ATOM 597 N ASN A 39 7.610 56.966 63.991 1.00 45.30 N ATOM 598 CA ASN A 39 8.058 56.127 62.884 1.00 40.43 C ATOM 599 C ASN A 39 7.285 56.449 61.610 1.00 74.55 C ATOM 600 O ASN A 39 7.864 56.551 60.527 1.00 41.23 O ATOM 601 CB ASN A 39 7.890 54.648 63.238 1.00 31.32 C ATOM 602 CG ASN A 39 9.216 53.960 63.496 1.00 73.31 C ATOM 603 OD1 ASN A 39 10.273 54.460 63.112 1.00 33.42 O ATOM 604 ND2 ASN A 39 9.165 52.806 64.151 1.00 62.23 N ATOM 0 H ASN A 39 7.168 56.455 64.756 1.00 45.30 H new ATOM 0 HA ASN A 39 9.114 56.333 62.708 1.00 40.43 H new ATOM 0 HB2 ASN A 39 7.259 54.559 64.123 1.00 31.32 H new ATOM 0 HB3 ASN A 39 7.372 54.139 62.425 1.00 31.32 H new ATOM 0 HD21 ASN A 39 10.025 52.297 64.355 1.00 62.23 H new ATOM 0 HD22 ASN A 39 8.266 52.429 64.451 1.00 62.23 H new ATOM 611 N LEU A 40 5.973 56.609 61.746 1.00 31.54 N ATOM 612 CA LEU A 40 5.118 56.921 60.604 1.00 41.41 C ATOM 613 C LEU A 40 5.145 58.414 60.296 1.00 52.10 C ATOM 614 O LEU A 40 5.147 58.817 59.133 1.00 11.23 O ATOM 615 CB LEU A 40 3.682 56.470 60.881 1.00 73.54 C ATOM 616 CG LEU A 40 3.486 55.558 62.092 1.00 71.43 C ATOM 617 CD1 LEU A 40 2.024 55.163 62.230 1.00 5.22 C ATOM 618 CD2 LEU A 40 4.366 54.323 61.977 1.00 72.33 C ATOM 0 H LEU A 40 5.478 56.528 62.634 1.00 31.54 H new ATOM 0 HA LEU A 40 5.500 56.384 59.736 1.00 41.41 H new ATOM 0 HB2 LEU A 40 3.064 57.357 61.016 1.00 73.54 H new ATOM 0 HB3 LEU A 40 3.308 55.952 59.997 1.00 73.54 H new ATOM 0 HG LEU A 40 3.779 56.106 62.988 1.00 71.43 H new ATOM 0 HD11 LEU A 40 1.903 54.514 63.097 1.00 5.22 H new ATOM 0 HD12 LEU A 40 1.416 56.058 62.359 1.00 5.22 H new ATOM 0 HD13 LEU A 40 1.704 54.633 61.333 1.00 5.22 H new ATOM 0 HD21 LEU A 40 4.213 53.685 62.848 1.00 72.33 H new ATOM 0 HD22 LEU A 40 4.104 53.772 61.073 1.00 72.33 H new ATOM 0 HD23 LEU A 40 5.412 54.625 61.927 1.00 72.33 H new ATOM 630 N GLU A 41 5.169 59.230 61.345 1.00 12.11 N ATOM 631 CA GLU A 41 5.198 60.679 61.185 1.00 20.13 C ATOM 632 C GLU A 41 6.220 61.090 60.129 1.00 3.43 C ATOM 633 O GLU A 41 6.014 62.052 59.390 1.00 51.40 O ATOM 634 CB GLU A 41 5.524 61.355 62.518 1.00 63.23 C ATOM 635 CG GLU A 41 4.750 62.641 62.753 1.00 72.44 C ATOM 636 CD GLU A 41 5.151 63.337 64.039 1.00 12.50 C ATOM 637 OE1 GLU A 41 6.246 63.939 64.072 1.00 14.05 O ATOM 638 OE2 GLU A 41 4.372 63.279 65.014 1.00 24.22 O ATOM 0 H GLU A 41 5.169 58.912 62.314 1.00 12.11 H new ATOM 0 HA GLU A 41 4.211 61.002 60.854 1.00 20.13 H new ATOM 0 HB2 GLU A 41 5.312 60.660 63.330 1.00 63.23 H new ATOM 0 HB3 GLU A 41 6.592 61.571 62.555 1.00 63.23 H new ATOM 0 HG2 GLU A 41 4.912 63.317 61.913 1.00 72.44 H new ATOM 0 HG3 GLU A 41 3.683 62.418 62.782 1.00 72.44 H new ATOM 645 N ASP A 42 7.324 60.353 60.066 1.00 50.30 N ATOM 646 CA ASP A 42 8.380 60.639 59.102 1.00 31.32 C ATOM 647 C ASP A 42 8.057 60.025 57.743 1.00 55.31 C ATOM 648 O ASP A 42 7.993 60.725 56.732 1.00 51.35 O ATOM 649 CB ASP A 42 9.722 60.107 59.609 1.00 34.02 C ATOM 650 CG ASP A 42 10.822 61.149 59.536 1.00 4.55 C ATOM 651 OD1 ASP A 42 10.958 61.794 58.476 1.00 20.42 O ATOM 652 OD2 ASP A 42 11.547 61.316 60.539 1.00 4.05 O ATOM 0 H ASP A 42 7.511 59.553 60.671 1.00 50.30 H new ATOM 0 HA ASP A 42 8.447 61.721 58.986 1.00 31.32 H new ATOM 0 HB2 ASP A 42 9.611 59.772 60.640 1.00 34.02 H new ATOM 0 HB3 ASP A 42 10.010 59.236 59.020 1.00 34.02 H new ATOM 657 N LEU A 43 7.853 58.712 57.728 1.00 64.31 N ATOM 658 CA LEU A 43 7.537 58.002 56.492 1.00 40.21 C ATOM 659 C LEU A 43 6.219 58.495 55.904 1.00 22.42 C ATOM 660 O LEU A 43 6.174 58.971 54.769 1.00 13.00 O ATOM 661 CB LEU A 43 7.462 56.496 56.751 1.00 62.03 C ATOM 662 CG LEU A 43 8.174 55.604 55.733 1.00 15.45 C ATOM 663 CD1 LEU A 43 9.681 55.758 55.851 1.00 43.14 C ATOM 664 CD2 LEU A 43 7.767 54.150 55.923 1.00 54.51 C ATOM 0 H LEU A 43 7.901 58.118 58.556 1.00 64.31 H new ATOM 0 HA LEU A 43 8.332 58.201 55.773 1.00 40.21 H new ATOM 0 HB2 LEU A 43 7.882 56.296 57.737 1.00 62.03 H new ATOM 0 HB3 LEU A 43 6.412 56.206 56.787 1.00 62.03 H new ATOM 0 HG LEU A 43 7.876 55.916 54.732 1.00 15.45 H new ATOM 0 HD11 LEU A 43 10.171 55.116 55.119 1.00 43.14 H new ATOM 0 HD12 LEU A 43 9.956 56.796 55.665 1.00 43.14 H new ATOM 0 HD13 LEU A 43 9.998 55.473 56.854 1.00 43.14 H new ATOM 0 HD21 LEU A 43 8.283 53.529 55.191 1.00 54.51 H new ATOM 0 HD22 LEU A 43 8.036 53.825 56.928 1.00 54.51 H new ATOM 0 HD23 LEU A 43 6.690 54.053 55.787 1.00 54.51 H new ATOM 676 N HIS A 44 5.149 58.379 56.682 1.00 54.43 N ATOM 677 CA HIS A 44 3.829 58.815 56.240 1.00 60.14 C ATOM 678 C HIS A 44 3.918 60.143 55.495 1.00 73.33 C ATOM 679 O HIS A 44 3.248 60.347 54.483 1.00 20.14 O ATOM 680 CB HIS A 44 2.885 58.949 57.435 1.00 64.42 C ATOM 681 CG HIS A 44 1.435 58.921 57.059 1.00 62.15 C ATOM 682 ND1 HIS A 44 0.882 59.777 56.130 1.00 44.23 N ATOM 683 CD2 HIS A 44 0.424 58.133 57.490 1.00 54.21 C ATOM 684 CE1 HIS A 44 -0.407 59.518 56.008 1.00 52.23 C ATOM 685 NE2 HIS A 44 -0.711 58.523 56.823 1.00 74.31 N ATOM 0 H HIS A 44 5.169 57.986 57.623 1.00 54.43 H new ATOM 0 HA HIS A 44 3.434 58.061 55.559 1.00 60.14 H new ATOM 0 HB2 HIS A 44 3.085 58.141 58.138 1.00 64.42 H new ATOM 0 HB3 HIS A 44 3.099 59.883 57.954 1.00 64.42 H new ATOM 0 HD1 HIS A 44 1.390 60.498 55.617 1.00 44.23 H new ATOM 0 HD2 HIS A 44 0.496 57.343 58.223 1.00 54.21 H new ATOM 0 HE1 HIS A 44 -1.096 60.032 55.354 1.00 52.23 H new ATOM 693 N THR A 45 4.750 61.047 56.005 1.00 63.22 N ATOM 694 CA THR A 45 4.925 62.357 55.389 1.00 1.21 C ATOM 695 C THR A 45 5.209 62.231 53.897 1.00 23.14 C ATOM 696 O THR A 45 4.677 62.990 53.087 1.00 44.13 O ATOM 697 CB THR A 45 6.073 63.141 56.054 1.00 34.24 C ATOM 698 OG1 THR A 45 5.736 63.445 57.412 1.00 5.53 O ATOM 699 CG2 THR A 45 6.356 64.431 55.297 1.00 3.54 C ATOM 0 H THR A 45 5.313 60.896 56.842 1.00 63.22 H new ATOM 0 HA THR A 45 3.991 62.901 55.533 1.00 1.21 H new ATOM 0 HB THR A 45 6.968 62.520 56.032 1.00 34.24 H new ATOM 0 HG1 THR A 45 5.611 62.612 57.912 1.00 5.53 H new ATOM 0 HG21 THR A 45 7.170 64.968 55.784 1.00 3.54 H new ATOM 0 HG22 THR A 45 6.639 64.196 54.271 1.00 3.54 H new ATOM 0 HG23 THR A 45 5.462 65.054 55.293 1.00 3.54 H new ATOM 707 N ARG A 46 6.050 61.265 53.539 1.00 55.52 N ATOM 708 CA ARG A 46 6.405 61.040 52.144 1.00 24.12 C ATOM 709 C ARG A 46 5.608 59.876 51.561 1.00 51.31 C ATOM 710 O ARG A 46 4.919 60.027 50.552 1.00 22.21 O ATOM 711 CB ARG A 46 7.904 60.759 52.015 1.00 73.23 C ATOM 712 CG ARG A 46 8.728 61.993 51.689 1.00 52.14 C ATOM 713 CD ARG A 46 9.666 62.354 52.832 1.00 73.42 C ATOM 714 NE ARG A 46 10.950 62.855 52.349 1.00 23.10 N ATOM 715 CZ ARG A 46 11.143 64.101 51.930 1.00 55.34 C ATOM 716 NH1 ARG A 46 10.141 64.969 51.938 1.00 61.41 N ATOM 717 NH2 ARG A 46 12.341 64.481 51.505 1.00 41.42 N ATOM 0 H ARG A 46 6.498 60.626 54.196 1.00 55.52 H new ATOM 0 HA ARG A 46 6.161 61.943 51.584 1.00 24.12 H new ATOM 0 HB2 ARG A 46 8.266 60.327 52.948 1.00 73.23 H new ATOM 0 HB3 ARG A 46 8.060 60.012 51.236 1.00 73.23 H new ATOM 0 HG2 ARG A 46 9.308 61.816 50.783 1.00 52.14 H new ATOM 0 HG3 ARG A 46 8.063 62.832 51.483 1.00 52.14 H new ATOM 0 HD2 ARG A 46 9.196 63.109 53.462 1.00 73.42 H new ATOM 0 HD3 ARG A 46 9.831 61.476 53.456 1.00 73.42 H new ATOM 0 HE ARG A 46 11.742 62.213 52.332 1.00 23.10 H new ATOM 0 HH11 ARG A 46 9.219 64.681 52.266 1.00 61.41 H new ATOM 0 HH12 ARG A 46 10.292 65.925 51.616 1.00 61.41 H new ATOM 0 HH21 ARG A 46 13.115 63.816 51.500 1.00 41.42 H new ATOM 0 HH22 ARG A 46 12.488 65.438 51.183 1.00 41.42 H new ATOM 731 N ARG A 47 5.707 58.717 52.203 1.00 51.23 N ATOM 732 CA ARG A 47 4.996 57.528 51.748 1.00 73.52 C ATOM 733 C ARG A 47 4.026 57.032 52.816 1.00 51.32 C ATOM 734 O ARG A 47 4.424 56.474 53.840 1.00 74.42 O ATOM 735 CB ARG A 47 5.989 56.420 51.391 1.00 32.20 C ATOM 736 CG ARG A 47 5.582 55.607 50.174 1.00 21.43 C ATOM 737 CD ARG A 47 6.072 56.248 48.885 1.00 61.41 C ATOM 738 NE ARG A 47 6.107 55.297 47.778 1.00 3.22 N ATOM 739 CZ ARG A 47 5.919 55.638 46.508 1.00 15.51 C ATOM 740 NH1 ARG A 47 5.683 56.903 46.187 1.00 63.25 N ATOM 741 NH2 ARG A 47 5.965 54.714 45.557 1.00 74.12 N ATOM 0 H ARG A 47 6.273 58.576 53.040 1.00 51.23 H new ATOM 0 HA ARG A 47 4.424 57.795 50.859 1.00 73.52 H new ATOM 0 HB2 ARG A 47 6.967 56.865 51.210 1.00 32.20 H new ATOM 0 HB3 ARG A 47 6.097 55.751 52.245 1.00 32.20 H new ATOM 0 HG2 ARG A 47 5.987 54.599 50.257 1.00 21.43 H new ATOM 0 HG3 ARG A 47 4.496 55.513 50.145 1.00 21.43 H new ATOM 0 HD2 ARG A 47 5.421 57.082 48.625 1.00 61.41 H new ATOM 0 HD3 ARG A 47 7.069 56.659 49.041 1.00 61.41 H new ATOM 0 HE ARG A 47 6.286 54.316 47.992 1.00 3.22 H new ATOM 0 HH11 ARG A 47 5.646 57.616 46.916 1.00 63.25 H new ATOM 0 HH12 ARG A 47 5.539 57.163 45.211 1.00 63.25 H new ATOM 0 HH21 ARG A 47 6.145 53.740 45.801 1.00 74.12 H new ATOM 0 HH22 ARG A 47 5.820 54.978 44.582 1.00 74.12 H new ATOM 755 N PRO A 48 2.723 57.239 52.575 1.00 71.22 N ATOM 756 CA PRO A 48 1.670 56.820 53.504 1.00 12.10 C ATOM 757 C PRO A 48 1.519 55.304 53.564 1.00 14.14 C ATOM 758 O PRO A 48 1.583 54.706 54.639 1.00 63.12 O ATOM 759 CB PRO A 48 0.408 57.462 52.922 1.00 4.53 C ATOM 760 CG PRO A 48 0.702 57.627 51.471 1.00 61.13 C ATOM 761 CD PRO A 48 2.178 57.897 51.376 1.00 53.34 C ATOM 0 HA PRO A 48 1.885 57.124 54.528 1.00 12.10 H new ATOM 0 HB2 PRO A 48 -0.466 56.830 53.080 1.00 4.53 H new ATOM 0 HB3 PRO A 48 0.198 58.421 53.395 1.00 4.53 H new ATOM 0 HG2 PRO A 48 0.433 56.730 50.914 1.00 61.13 H new ATOM 0 HG3 PRO A 48 0.127 58.450 51.047 1.00 61.13 H new ATOM 0 HD2 PRO A 48 2.604 57.483 50.462 1.00 53.34 H new ATOM 0 HD3 PRO A 48 2.392 58.966 51.372 1.00 53.34 H new ATOM 769 N ASP A 49 1.316 54.689 52.405 1.00 65.13 N ATOM 770 CA ASP A 49 1.157 53.242 52.325 1.00 3.43 C ATOM 771 C ASP A 49 2.362 52.528 52.931 1.00 31.23 C ATOM 772 O ASP A 49 2.277 51.360 53.309 1.00 2.12 O ATOM 773 CB ASP A 49 0.969 52.807 50.871 1.00 64.12 C ATOM 774 CG ASP A 49 0.292 51.456 50.752 1.00 12.11 C ATOM 775 OD1 ASP A 49 -0.586 51.157 51.590 1.00 71.12 O ATOM 776 OD2 ASP A 49 0.637 50.697 49.823 1.00 74.44 O ATOM 0 H ASP A 49 1.258 55.170 51.507 1.00 65.13 H new ATOM 0 HA ASP A 49 0.270 52.967 52.896 1.00 3.43 H new ATOM 0 HB2 ASP A 49 0.375 53.555 50.345 1.00 64.12 H new ATOM 0 HB3 ASP A 49 1.941 52.768 50.378 1.00 64.12 H new ATOM 781 N GLU A 50 3.482 53.239 53.019 1.00 32.25 N ATOM 782 CA GLU A 50 4.704 52.672 53.577 1.00 2.43 C ATOM 783 C GLU A 50 4.793 52.943 55.076 1.00 43.54 C ATOM 784 O GLU A 50 5.509 52.251 55.802 1.00 61.34 O ATOM 785 CB GLU A 50 5.930 53.250 52.869 1.00 61.45 C ATOM 786 CG GLU A 50 7.106 52.290 52.806 1.00 53.42 C ATOM 787 CD GLU A 50 7.592 52.052 51.390 1.00 34.42 C ATOM 788 OE1 GLU A 50 7.852 53.046 50.679 1.00 24.32 O ATOM 789 OE2 GLU A 50 7.712 50.875 50.993 1.00 21.52 O ATOM 0 H GLU A 50 3.568 54.208 52.711 1.00 32.25 H new ATOM 0 HA GLU A 50 4.679 51.594 53.421 1.00 2.43 H new ATOM 0 HB2 GLU A 50 5.652 53.537 51.855 1.00 61.45 H new ATOM 0 HB3 GLU A 50 6.241 54.159 53.384 1.00 61.45 H new ATOM 0 HG2 GLU A 50 7.926 52.686 53.405 1.00 53.42 H new ATOM 0 HG3 GLU A 50 6.817 51.338 53.251 1.00 53.42 H new ATOM 796 N PHE A 51 4.062 53.953 55.533 1.00 55.03 N ATOM 797 CA PHE A 51 4.060 54.318 56.946 1.00 24.14 C ATOM 798 C PHE A 51 3.962 53.076 57.827 1.00 40.41 C ATOM 799 O PHE A 51 4.638 52.973 58.852 1.00 40.30 O ATOM 800 CB PHE A 51 2.897 55.264 57.249 1.00 60.30 C ATOM 801 CG PHE A 51 1.743 54.594 57.939 1.00 71.42 C ATOM 802 CD1 PHE A 51 1.909 54.009 59.184 1.00 64.13 C ATOM 803 CD2 PHE A 51 0.492 54.550 57.344 1.00 44.04 C ATOM 804 CE1 PHE A 51 0.850 53.392 59.822 1.00 12.51 C ATOM 805 CE2 PHE A 51 -0.571 53.935 57.978 1.00 62.04 C ATOM 806 CZ PHE A 51 -0.391 53.355 59.218 1.00 0.14 C ATOM 0 H PHE A 51 3.463 54.534 54.946 1.00 55.03 H new ATOM 0 HA PHE A 51 4.999 54.826 57.166 1.00 24.14 H new ATOM 0 HB2 PHE A 51 3.258 56.082 57.873 1.00 60.30 H new ATOM 0 HB3 PHE A 51 2.546 55.705 56.316 1.00 60.30 H new ATOM 0 HD1 PHE A 51 2.877 54.036 59.661 1.00 64.13 H new ATOM 0 HD2 PHE A 51 0.346 55.001 56.374 1.00 44.04 H new ATOM 0 HE1 PHE A 51 0.993 52.939 60.792 1.00 12.51 H new ATOM 0 HE2 PHE A 51 -1.541 53.908 57.504 1.00 62.04 H new ATOM 0 HZ PHE A 51 -1.220 52.873 59.715 1.00 0.14 H new ATOM 816 N THR A 52 3.116 52.133 57.422 1.00 72.34 N ATOM 817 CA THR A 52 2.928 50.900 58.174 1.00 51.35 C ATOM 818 C THR A 52 4.137 49.982 58.036 1.00 41.43 C ATOM 819 O THR A 52 4.424 49.181 58.924 1.00 22.00 O ATOM 820 CB THR A 52 1.668 50.145 57.709 1.00 45.32 C ATOM 821 OG1 THR A 52 1.914 49.514 56.447 1.00 10.33 O ATOM 822 CG2 THR A 52 0.484 51.092 57.586 1.00 42.44 C ATOM 0 H THR A 52 2.550 52.201 56.576 1.00 72.34 H new ATOM 0 HA THR A 52 2.808 51.183 59.220 1.00 51.35 H new ATOM 0 HB THR A 52 1.430 49.386 58.454 1.00 45.32 H new ATOM 0 HG1 THR A 52 1.109 49.035 56.159 1.00 10.33 H new ATOM 0 HG21 THR A 52 -0.394 50.536 57.256 1.00 42.44 H new ATOM 0 HG22 THR A 52 0.281 51.549 58.555 1.00 42.44 H new ATOM 0 HG23 THR A 52 0.715 51.870 56.859 1.00 42.44 H new ATOM 830 N ALA A 53 4.843 50.105 56.916 1.00 12.03 N ATOM 831 CA ALA A 53 6.023 49.288 56.663 1.00 42.42 C ATOM 832 C ALA A 53 7.118 49.573 57.686 1.00 72.14 C ATOM 833 O ALA A 53 8.034 48.771 57.869 1.00 24.22 O ATOM 834 CB ALA A 53 6.539 49.529 55.253 1.00 41.31 C ATOM 0 H ALA A 53 4.618 50.763 56.170 1.00 12.03 H new ATOM 0 HA ALA A 53 5.737 48.241 56.759 1.00 42.42 H new ATOM 0 HB1 ALA A 53 7.421 48.912 55.078 1.00 41.31 H new ATOM 0 HB2 ALA A 53 5.764 49.268 54.532 1.00 41.31 H new ATOM 0 HB3 ALA A 53 6.803 50.580 55.137 1.00 41.31 H new ATOM 840 N ARG A 54 7.017 50.720 58.349 1.00 71.03 N ATOM 841 CA ARG A 54 8.001 51.113 59.351 1.00 21.05 C ATOM 842 C ARG A 54 7.864 50.261 60.609 1.00 2.34 C ATOM 843 O ARG A 54 8.758 49.483 60.946 1.00 25.21 O ATOM 844 CB ARG A 54 7.838 52.592 59.705 1.00 32.05 C ATOM 845 CG ARG A 54 9.101 53.226 60.265 1.00 34.44 C ATOM 846 CD ARG A 54 10.071 53.607 59.159 1.00 73.54 C ATOM 847 NE ARG A 54 11.463 53.467 59.579 1.00 3.02 N ATOM 848 CZ ARG A 54 12.489 53.978 58.908 1.00 24.14 C ATOM 849 NH1 ARG A 54 12.280 54.660 57.790 1.00 30.24 N ATOM 850 NH2 ARG A 54 13.726 53.807 59.354 1.00 65.52 N ATOM 0 H ARG A 54 6.264 51.394 58.211 1.00 71.03 H new ATOM 0 HA ARG A 54 8.994 50.955 58.930 1.00 21.05 H new ATOM 0 HB2 ARG A 54 7.531 53.139 58.813 1.00 32.05 H new ATOM 0 HB3 ARG A 54 7.035 52.696 60.435 1.00 32.05 H new ATOM 0 HG2 ARG A 54 8.839 54.113 60.842 1.00 34.44 H new ATOM 0 HG3 ARG A 54 9.585 52.531 60.951 1.00 34.44 H new ATOM 0 HD2 ARG A 54 9.891 52.979 58.287 1.00 73.54 H new ATOM 0 HD3 ARG A 54 9.886 54.637 58.854 1.00 73.54 H new ATOM 0 HE ARG A 54 11.658 52.948 60.435 1.00 3.02 H new ATOM 0 HH11 ARG A 54 11.330 54.793 57.444 1.00 30.24 H new ATOM 0 HH12 ARG A 54 13.069 55.052 57.276 1.00 30.24 H new ATOM 0 HH21 ARG A 54 13.890 53.283 60.213 1.00 65.52 H new ATOM 0 HH22 ARG A 54 14.513 54.200 58.838 1.00 65.52 H new ATOM 864 N LEU A 55 6.739 50.412 61.300 1.00 4.42 N ATOM 865 CA LEU A 55 6.485 49.656 62.522 1.00 42.23 C ATOM 866 C LEU A 55 6.102 48.215 62.201 1.00 51.42 C ATOM 867 O LEU A 55 6.174 47.337 63.062 1.00 34.41 O ATOM 868 CB LEU A 55 5.374 50.321 63.335 1.00 75.22 C ATOM 869 CG LEU A 55 3.948 50.095 62.834 1.00 13.33 C ATOM 870 CD1 LEU A 55 3.795 50.600 61.408 1.00 53.43 C ATOM 871 CD2 LEU A 55 3.580 48.621 62.922 1.00 53.11 C ATOM 0 H LEU A 55 5.989 51.050 61.035 1.00 4.42 H new ATOM 0 HA LEU A 55 7.402 49.647 63.111 1.00 42.23 H new ATOM 0 HB2 LEU A 55 5.438 49.961 64.362 1.00 75.22 H new ATOM 0 HB3 LEU A 55 5.563 51.394 63.361 1.00 75.22 H new ATOM 0 HG LEU A 55 3.267 50.659 63.471 1.00 13.33 H new ATOM 0 HD11 LEU A 55 2.773 50.430 61.070 1.00 53.43 H new ATOM 0 HD12 LEU A 55 4.016 51.667 61.374 1.00 53.43 H new ATOM 0 HD13 LEU A 55 4.486 50.066 60.757 1.00 53.43 H new ATOM 0 HD21 LEU A 55 2.561 48.478 62.561 1.00 53.11 H new ATOM 0 HD22 LEU A 55 4.267 48.037 62.309 1.00 53.11 H new ATOM 0 HD23 LEU A 55 3.648 48.290 63.958 1.00 53.11 H new ATOM 883 N GLN A 56 5.697 47.978 60.958 1.00 72.31 N ATOM 884 CA GLN A 56 5.304 46.643 60.524 1.00 62.41 C ATOM 885 C GLN A 56 6.412 45.632 60.798 1.00 52.44 C ATOM 886 O GLN A 56 6.144 44.481 61.141 1.00 63.13 O ATOM 887 CB GLN A 56 4.961 46.648 59.033 1.00 20.11 C ATOM 888 CG GLN A 56 4.937 45.262 58.409 1.00 54.21 C ATOM 889 CD GLN A 56 3.529 44.728 58.228 1.00 52.20 C ATOM 890 OE1 GLN A 56 2.646 44.985 59.047 1.00 31.12 O ATOM 891 NE2 GLN A 56 3.313 43.980 57.154 1.00 24.44 N ATOM 0 H GLN A 56 5.632 48.693 60.234 1.00 72.31 H new ATOM 0 HA GLN A 56 4.421 46.350 61.092 1.00 62.41 H new ATOM 0 HB2 GLN A 56 3.987 47.116 58.895 1.00 20.11 H new ATOM 0 HB3 GLN A 56 5.689 47.263 58.503 1.00 20.11 H new ATOM 0 HG2 GLN A 56 5.436 45.295 57.441 1.00 54.21 H new ATOM 0 HG3 GLN A 56 5.504 44.575 59.037 1.00 54.21 H new ATOM 0 HE21 GLN A 56 4.074 43.793 56.502 1.00 24.44 H new ATOM 0 HE22 GLN A 56 2.386 43.592 56.981 1.00 24.44 H new ATOM 900 N GLN A 57 7.658 46.072 60.646 1.00 52.32 N ATOM 901 CA GLN A 57 8.807 45.205 60.877 1.00 52.41 C ATOM 902 C GLN A 57 8.984 44.920 62.365 1.00 14.21 C ATOM 903 O GLN A 57 9.458 43.852 62.751 1.00 1.33 O ATOM 904 CB GLN A 57 10.076 45.845 60.314 1.00 42.43 C ATOM 905 CG GLN A 57 10.546 45.219 59.011 1.00 65.12 C ATOM 906 CD GLN A 57 11.883 45.766 58.549 1.00 74.44 C ATOM 907 OE1 GLN A 57 12.122 46.973 58.595 1.00 11.01 O ATOM 908 NE2 GLN A 57 12.763 44.878 58.101 1.00 71.22 N ATOM 0 H GLN A 57 7.897 47.023 60.364 1.00 52.32 H new ATOM 0 HA GLN A 57 8.626 44.260 60.364 1.00 52.41 H new ATOM 0 HB2 GLN A 57 9.896 46.908 60.153 1.00 42.43 H new ATOM 0 HB3 GLN A 57 10.872 45.765 61.054 1.00 42.43 H new ATOM 0 HG2 GLN A 57 10.624 44.139 59.139 1.00 65.12 H new ATOM 0 HG3 GLN A 57 9.799 45.395 58.237 1.00 65.12 H new ATOM 0 HE21 GLN A 57 12.522 43.887 58.081 1.00 71.22 H new ATOM 0 HE22 GLN A 57 13.680 45.187 57.777 1.00 71.22 H new ATOM 917 N SER A 58 8.599 45.884 63.196 1.00 1.32 N ATOM 918 CA SER A 58 8.719 45.738 64.642 1.00 54.42 C ATOM 919 C SER A 58 7.537 44.959 65.210 1.00 65.01 C ATOM 920 O SER A 58 7.705 43.882 65.783 1.00 11.33 O ATOM 921 CB SER A 58 8.805 47.113 65.309 1.00 4.03 C ATOM 922 OG SER A 58 10.097 47.339 65.845 1.00 65.43 O ATOM 0 H SER A 58 8.202 46.773 62.893 1.00 1.32 H new ATOM 0 HA SER A 58 9.633 45.182 64.851 1.00 54.42 H new ATOM 0 HB2 SER A 58 8.569 47.889 64.581 1.00 4.03 H new ATOM 0 HB3 SER A 58 8.061 47.183 66.103 1.00 4.03 H new ATOM 0 HG SER A 58 10.127 48.224 66.264 1.00 65.43 H new ATOM 928 N THR A 59 6.339 45.510 65.047 1.00 71.41 N ATOM 929 CA THR A 59 5.127 44.869 65.543 1.00 54.25 C ATOM 930 C THR A 59 5.142 43.372 65.259 1.00 60.04 C ATOM 931 O THR A 59 4.468 42.596 65.936 1.00 5.12 O ATOM 932 CB THR A 59 3.866 45.487 64.912 1.00 74.14 C ATOM 933 OG1 THR A 59 2.693 44.887 65.473 1.00 25.11 O ATOM 934 CG2 THR A 59 3.867 45.297 63.403 1.00 32.25 C ATOM 0 H THR A 59 6.181 46.400 64.575 1.00 71.41 H new ATOM 0 HA THR A 59 5.102 45.032 66.620 1.00 54.25 H new ATOM 0 HB THR A 59 3.865 46.556 65.127 1.00 74.14 H new ATOM 0 HG1 THR A 59 1.895 45.287 65.068 1.00 25.11 H new ATOM 0 HG21 THR A 59 2.966 45.742 62.980 1.00 32.25 H new ATOM 0 HG22 THR A 59 4.746 45.780 62.976 1.00 32.25 H new ATOM 0 HG23 THR A 59 3.890 44.232 63.170 1.00 32.25 H new ATOM 942 N ASP A 60 5.916 42.972 64.256 1.00 53.23 N ATOM 943 CA ASP A 60 6.020 41.566 63.884 1.00 74.21 C ATOM 944 C ASP A 60 6.330 40.703 65.103 1.00 43.43 C ATOM 945 O ASP A 60 5.728 39.648 65.299 1.00 34.21 O ATOM 946 CB ASP A 60 7.103 41.377 62.820 1.00 14.11 C ATOM 947 CG ASP A 60 6.582 40.670 61.584 1.00 41.13 C ATOM 948 OD1 ASP A 60 6.063 41.358 60.682 1.00 62.03 O ATOM 949 OD2 ASP A 60 6.694 39.427 61.520 1.00 61.12 O ATOM 0 H ASP A 60 6.481 43.602 63.686 1.00 53.23 H new ATOM 0 HA ASP A 60 5.060 41.252 63.474 1.00 74.21 H new ATOM 0 HB2 ASP A 60 7.504 42.350 62.537 1.00 14.11 H new ATOM 0 HB3 ASP A 60 7.928 40.803 63.243 1.00 14.11 H new ATOM 954 N ALA A 61 7.276 41.159 65.918 1.00 45.12 N ATOM 955 CA ALA A 61 7.666 40.429 67.118 1.00 1.13 C ATOM 956 C ALA A 61 6.443 39.996 67.920 1.00 54.21 C ATOM 957 O ALA A 61 6.420 38.909 68.499 1.00 51.02 O ATOM 958 CB ALA A 61 8.589 41.280 67.977 1.00 53.42 C ATOM 0 H ALA A 61 7.786 42.030 65.769 1.00 45.12 H new ATOM 0 HA ALA A 61 8.201 39.531 66.809 1.00 1.13 H new ATOM 0 HB1 ALA A 61 8.872 40.722 68.870 1.00 53.42 H new ATOM 0 HB2 ALA A 61 9.484 41.534 67.409 1.00 53.42 H new ATOM 0 HB3 ALA A 61 8.073 42.195 68.269 1.00 53.42 H new ATOM 964 N LEU A 62 5.429 40.854 67.950 1.00 4.55 N ATOM 965 CA LEU A 62 4.201 40.561 68.682 1.00 13.01 C ATOM 966 C LEU A 62 3.217 39.788 67.809 1.00 63.44 C ATOM 967 O LEU A 62 2.681 38.760 68.221 1.00 11.44 O ATOM 968 CB LEU A 62 3.555 41.857 69.174 1.00 23.42 C ATOM 969 CG LEU A 62 2.444 41.702 70.212 1.00 54.20 C ATOM 970 CD1 LEU A 62 2.155 43.033 70.888 1.00 53.23 C ATOM 971 CD2 LEU A 62 1.183 41.145 69.565 1.00 74.13 C ATOM 0 H LEU A 62 5.433 41.757 67.477 1.00 4.55 H new ATOM 0 HA LEU A 62 4.459 39.942 69.541 1.00 13.01 H new ATOM 0 HB2 LEU A 62 4.335 42.490 69.598 1.00 23.42 H new ATOM 0 HB3 LEU A 62 3.148 42.386 68.312 1.00 23.42 H new ATOM 0 HG LEU A 62 2.780 40.997 70.973 1.00 54.20 H new ATOM 0 HD11 LEU A 62 1.361 42.903 71.624 1.00 53.23 H new ATOM 0 HD12 LEU A 62 3.056 43.391 71.386 1.00 53.23 H new ATOM 0 HD13 LEU A 62 1.840 43.760 70.140 1.00 53.23 H new ATOM 0 HD21 LEU A 62 0.403 41.041 70.319 1.00 74.13 H new ATOM 0 HD22 LEU A 62 0.844 41.825 68.783 1.00 74.13 H new ATOM 0 HD23 LEU A 62 1.398 40.169 69.129 1.00 74.13 H new ATOM 983 N TYR A 63 2.987 40.290 66.600 1.00 52.43 N ATOM 984 CA TYR A 63 2.068 39.647 65.668 1.00 53.04 C ATOM 985 C TYR A 63 2.308 38.142 65.618 1.00 15.43 C ATOM 986 O TYR A 63 1.364 37.353 65.582 1.00 11.24 O ATOM 987 CB TYR A 63 2.225 40.247 64.270 1.00 51.33 C ATOM 988 CG TYR A 63 2.023 39.245 63.156 1.00 73.44 C ATOM 989 CD1 TYR A 63 3.053 38.402 62.757 1.00 71.34 C ATOM 990 CD2 TYR A 63 0.802 39.142 62.501 1.00 72.51 C ATOM 991 CE1 TYR A 63 2.873 37.486 61.739 1.00 43.31 C ATOM 992 CE2 TYR A 63 0.612 38.228 61.482 1.00 71.04 C ATOM 993 CZ TYR A 63 1.651 37.402 61.105 1.00 11.30 C ATOM 994 OH TYR A 63 1.467 36.491 60.091 1.00 32.42 O ATOM 0 H TYR A 63 3.424 41.140 66.243 1.00 52.43 H new ATOM 0 HA TYR A 63 1.051 39.823 66.020 1.00 53.04 H new ATOM 0 HB2 TYR A 63 1.509 41.060 64.150 1.00 51.33 H new ATOM 0 HB3 TYR A 63 3.220 40.682 64.180 1.00 51.33 H new ATOM 0 HD1 TYR A 63 4.011 38.464 63.252 1.00 71.34 H new ATOM 0 HD2 TYR A 63 -0.013 39.788 62.793 1.00 72.51 H new ATOM 0 HE1 TYR A 63 3.685 36.839 61.441 1.00 43.31 H new ATOM 0 HE2 TYR A 63 -0.344 38.161 60.984 1.00 71.04 H new ATOM 0 HH TYR A 63 0.550 36.560 59.752 1.00 32.42 H new ATOM 1004 N SER A 64 3.578 37.751 65.617 1.00 44.23 N ATOM 1005 CA SER A 64 3.945 36.339 65.568 1.00 34.53 C ATOM 1006 C SER A 64 3.907 35.720 66.961 1.00 53.25 C ATOM 1007 O SER A 64 3.315 34.660 67.167 1.00 62.21 O ATOM 1008 CB SER A 64 5.338 36.173 64.960 1.00 41.33 C ATOM 1009 OG SER A 64 5.794 34.838 65.088 1.00 11.05 O ATOM 0 H SER A 64 4.371 38.392 65.650 1.00 44.23 H new ATOM 0 HA SER A 64 3.220 35.822 64.940 1.00 34.53 H new ATOM 0 HB2 SER A 64 5.314 36.453 63.907 1.00 41.33 H new ATOM 0 HB3 SER A 64 6.037 36.848 65.454 1.00 41.33 H new ATOM 0 HG SER A 64 6.686 34.757 64.690 1.00 11.05 H new ATOM 1015 N HIS A 65 4.545 36.390 67.917 1.00 33.50 N ATOM 1016 CA HIS A 65 4.586 35.906 69.292 1.00 55.04 C ATOM 1017 C HIS A 65 3.203 35.451 69.749 1.00 3.23 C ATOM 1018 O HIS A 65 2.996 34.277 70.060 1.00 40.52 O ATOM 1019 CB HIS A 65 5.109 37.000 70.224 1.00 35.23 C ATOM 1020 CG HIS A 65 5.153 36.590 71.664 1.00 21.35 C ATOM 1021 ND1 HIS A 65 6.285 36.084 72.268 1.00 70.34 N ATOM 1022 CD2 HIS A 65 4.196 36.614 72.621 1.00 53.34 C ATOM 1023 CE1 HIS A 65 6.022 35.814 73.533 1.00 41.43 C ATOM 1024 NE2 HIS A 65 4.761 36.127 73.774 1.00 43.41 N ATOM 0 H HIS A 65 5.040 37.269 67.764 1.00 33.50 H new ATOM 0 HA HIS A 65 5.262 35.052 69.331 1.00 55.04 H new ATOM 0 HB2 HIS A 65 6.111 37.288 69.906 1.00 35.23 H new ATOM 0 HB3 HIS A 65 4.477 37.883 70.125 1.00 35.23 H new ATOM 0 HD2 HIS A 65 3.178 36.953 72.500 1.00 53.34 H new ATOM 0 HE1 HIS A 65 6.719 35.406 74.250 1.00 41.43 H new ATOM 0 HE2 HIS A 65 4.285 36.024 74.670 1.00 43.41 H new ATOM 1032 N LEU A 66 2.260 36.386 69.787 1.00 44.32 N ATOM 1033 CA LEU A 66 0.896 36.080 70.207 1.00 62.14 C ATOM 1034 C LEU A 66 0.380 34.827 69.507 1.00 14.40 C ATOM 1035 O LEU A 66 0.008 33.851 70.158 1.00 33.53 O ATOM 1036 CB LEU A 66 -0.026 37.263 69.908 1.00 12.44 C ATOM 1037 CG LEU A 66 -1.518 37.027 70.151 1.00 51.32 C ATOM 1038 CD1 LEU A 66 -2.104 38.148 70.997 1.00 33.21 C ATOM 1039 CD2 LEU A 66 -2.262 36.909 68.829 1.00 40.12 C ATOM 0 H LEU A 66 2.414 37.362 69.532 1.00 44.32 H new ATOM 0 HA LEU A 66 0.904 35.896 71.281 1.00 62.14 H new ATOM 0 HB2 LEU A 66 0.292 38.109 70.517 1.00 12.44 H new ATOM 0 HB3 LEU A 66 0.111 37.551 68.866 1.00 12.44 H new ATOM 0 HG LEU A 66 -1.635 36.090 70.695 1.00 51.32 H new ATOM 0 HD11 LEU A 66 -3.166 37.964 71.160 1.00 33.21 H new ATOM 0 HD12 LEU A 66 -1.591 38.185 71.958 1.00 33.21 H new ATOM 0 HD13 LEU A 66 -1.976 39.099 70.480 1.00 33.21 H new ATOM 0 HD21 LEU A 66 -3.322 36.741 69.022 1.00 40.12 H new ATOM 0 HD22 LEU A 66 -2.138 37.829 68.258 1.00 40.12 H new ATOM 0 HD23 LEU A 66 -1.860 36.072 68.259 1.00 40.12 H new ATOM 1051 N GLU A 67 0.361 34.862 68.178 1.00 71.23 N ATOM 1052 CA GLU A 67 -0.109 33.728 67.391 1.00 52.21 C ATOM 1053 C GLU A 67 0.727 32.484 67.676 1.00 1.14 C ATOM 1054 O GLU A 67 0.309 31.363 67.388 1.00 22.23 O ATOM 1055 CB GLU A 67 -0.058 34.059 65.898 1.00 70.41 C ATOM 1056 CG GLU A 67 -1.065 33.283 65.068 1.00 22.01 C ATOM 1057 CD GLU A 67 -0.669 33.191 63.607 1.00 4.05 C ATOM 1058 OE1 GLU A 67 -0.313 34.234 63.022 1.00 71.21 O ATOM 1059 OE2 GLU A 67 -0.716 32.075 63.047 1.00 12.53 O ATOM 0 H GLU A 67 0.665 35.663 67.624 1.00 71.23 H new ATOM 0 HA GLU A 67 -1.141 33.524 67.676 1.00 52.21 H new ATOM 0 HB2 GLU A 67 -0.236 35.126 65.765 1.00 70.41 H new ATOM 0 HB3 GLU A 67 0.945 33.853 65.523 1.00 70.41 H new ATOM 0 HG2 GLU A 67 -1.169 32.278 65.476 1.00 22.01 H new ATOM 0 HG3 GLU A 67 -2.041 33.762 65.147 1.00 22.01 H new ATOM 1066 N ALA A 68 1.911 32.691 68.244 1.00 13.21 N ATOM 1067 CA ALA A 68 2.804 31.587 68.570 1.00 70.02 C ATOM 1068 C ALA A 68 2.442 30.965 69.915 1.00 45.15 C ATOM 1069 O ALA A 68 2.103 29.785 69.991 1.00 4.13 O ATOM 1070 CB ALA A 68 4.249 32.063 68.579 1.00 43.43 C ATOM 0 H ALA A 68 2.273 33.613 68.488 1.00 13.21 H new ATOM 0 HA ALA A 68 2.689 30.821 67.803 1.00 70.02 H new ATOM 0 HB1 ALA A 68 4.906 31.228 68.824 1.00 43.43 H new ATOM 0 HB2 ALA A 68 4.510 32.453 67.595 1.00 43.43 H new ATOM 0 HB3 ALA A 68 4.368 32.849 69.324 1.00 43.43 H new ATOM 1076 N GLN A 69 2.518 31.767 70.972 1.00 35.33 N ATOM 1077 CA GLN A 69 2.198 31.294 72.313 1.00 74.11 C ATOM 1078 C GLN A 69 0.710 31.452 72.607 1.00 25.32 C ATOM 1079 O GLN A 69 0.019 30.477 72.904 1.00 41.51 O ATOM 1080 CB GLN A 69 3.019 32.058 73.355 1.00 31.05 C ATOM 1081 CG GLN A 69 4.421 32.408 72.886 1.00 51.25 C ATOM 1082 CD GLN A 69 5.425 31.311 73.176 1.00 43.44 C ATOM 1083 OE1 GLN A 69 5.060 30.145 73.336 1.00 61.51 O ATOM 1084 NE2 GLN A 69 6.701 31.677 73.246 1.00 32.13 N ATOM 0 H GLN A 69 2.798 32.747 70.926 1.00 35.33 H new ATOM 0 HA GLN A 69 2.449 30.235 72.366 1.00 74.11 H new ATOM 0 HB2 GLN A 69 2.493 32.976 73.618 1.00 31.05 H new ATOM 0 HB3 GLN A 69 3.087 31.458 74.263 1.00 31.05 H new ATOM 0 HG2 GLN A 69 4.403 32.604 71.814 1.00 51.25 H new ATOM 0 HG3 GLN A 69 4.744 33.328 73.373 1.00 51.25 H new ATOM 0 HE21 GLN A 69 6.960 32.654 73.107 1.00 32.13 H new ATOM 0 HE22 GLN A 69 7.421 30.981 73.439 1.00 32.13 H new ATOM 1093 N TRP A 70 0.222 32.684 72.521 1.00 62.22 N ATOM 1094 CA TRP A 70 -1.185 32.969 72.777 1.00 11.02 C ATOM 1095 C TRP A 70 -2.082 31.940 72.097 1.00 43.33 C ATOM 1096 O TRP A 70 -3.186 31.662 72.562 1.00 33.11 O ATOM 1097 CB TRP A 70 -1.540 34.374 72.289 1.00 61.00 C ATOM 1098 CG TRP A 70 -2.177 35.226 73.343 1.00 50.43 C ATOM 1099 CD1 TRP A 70 -3.502 35.271 73.672 1.00 21.21 C ATOM 1100 CD2 TRP A 70 -1.517 36.158 74.207 1.00 41.40 C ATOM 1101 NE1 TRP A 70 -3.705 36.174 74.686 1.00 53.41 N ATOM 1102 CE2 TRP A 70 -2.503 36.731 75.034 1.00 34.01 C ATOM 1103 CE3 TRP A 70 -0.189 36.563 74.365 1.00 45.00 C ATOM 1104 CZ2 TRP A 70 -2.200 37.687 76.001 1.00 20.33 C ATOM 1105 CZ3 TRP A 70 0.111 37.511 75.323 1.00 12.34 C ATOM 1106 CH2 TRP A 70 -0.891 38.065 76.132 1.00 21.04 C ATOM 0 H TRP A 70 0.780 33.502 72.276 1.00 62.22 H new ATOM 0 HA TRP A 70 -1.350 32.913 73.853 1.00 11.02 H new ATOM 0 HB2 TRP A 70 -0.635 34.866 71.932 1.00 61.00 H new ATOM 0 HB3 TRP A 70 -2.217 34.295 71.438 1.00 61.00 H new ATOM 0 HD1 TRP A 70 -4.277 34.682 73.203 1.00 21.21 H new ATOM 0 HE1 TRP A 70 -4.605 36.394 75.111 1.00 53.41 H new ATOM 0 HE3 TRP A 70 0.590 36.141 73.748 1.00 45.00 H new ATOM 0 HZ2 TRP A 70 -2.971 38.115 76.625 1.00 20.33 H new ATOM 0 HZ3 TRP A 70 1.134 37.831 75.451 1.00 12.34 H new ATOM 0 HH2 TRP A 70 -0.625 38.804 76.873 1.00 21.04 H new ATOM 1117 N ALA A 71 -1.598 31.376 70.995 1.00 30.40 N ATOM 1118 CA ALA A 71 -2.355 30.376 70.253 1.00 61.23 C ATOM 1119 C ALA A 71 -2.739 29.202 71.149 1.00 24.42 C ATOM 1120 O ALA A 71 -3.851 28.682 71.065 1.00 21.21 O ATOM 1121 CB ALA A 71 -1.554 29.888 69.056 1.00 21.21 C ATOM 0 H ALA A 71 -0.685 31.595 70.597 1.00 30.40 H new ATOM 0 HA ALA A 71 -3.273 30.843 69.896 1.00 61.23 H new ATOM 0 HB1 ALA A 71 -2.132 29.141 68.511 1.00 21.21 H new ATOM 0 HB2 ALA A 71 -1.335 30.729 68.398 1.00 21.21 H new ATOM 0 HB3 ALA A 71 -0.620 29.444 69.400 1.00 21.21 H new ATOM 1127 N LYS A 72 -1.810 28.789 72.005 1.00 23.32 N ATOM 1128 CA LYS A 72 -2.051 27.677 72.916 1.00 44.14 C ATOM 1129 C LYS A 72 -3.432 27.784 73.552 1.00 13.13 C ATOM 1130 O LYS A 72 -4.035 26.776 73.920 1.00 11.43 O ATOM 1131 CB LYS A 72 -0.976 27.644 74.006 1.00 31.13 C ATOM 1132 CG LYS A 72 0.427 27.418 73.471 1.00 4.14 C ATOM 1133 CD LYS A 72 0.708 25.940 73.249 1.00 72.42 C ATOM 1134 CE LYS A 72 0.393 25.522 71.821 1.00 21.22 C ATOM 1135 NZ LYS A 72 1.096 24.265 71.443 1.00 13.43 N ATOM 0 H LYS A 72 -0.884 29.208 72.087 1.00 23.32 H new ATOM 0 HA LYS A 72 -2.007 26.752 72.341 1.00 44.14 H new ATOM 0 HB2 LYS A 72 -0.999 28.585 74.555 1.00 31.13 H new ATOM 0 HB3 LYS A 72 -1.216 26.854 74.717 1.00 31.13 H new ATOM 0 HG2 LYS A 72 0.551 27.958 72.532 1.00 4.14 H new ATOM 0 HG3 LYS A 72 1.155 27.826 74.172 1.00 4.14 H new ATOM 0 HD2 LYS A 72 1.755 25.731 73.468 1.00 72.42 H new ATOM 0 HD3 LYS A 72 0.112 25.347 73.943 1.00 72.42 H new ATOM 0 HE2 LYS A 72 -0.683 25.383 71.712 1.00 21.22 H new ATOM 0 HE3 LYS A 72 0.682 26.320 71.137 1.00 21.22 H new ATOM 0 HZ1 LYS A 72 0.855 24.014 70.463 1.00 13.43 H new ATOM 0 HZ2 LYS A 72 2.124 24.405 71.522 1.00 13.43 H new ATOM 0 HZ3 LYS A 72 0.801 23.497 72.080 1.00 13.43 H new ATOM 1149 N GLN A 73 -3.928 29.011 73.678 1.00 5.35 N ATOM 1150 CA GLN A 73 -5.240 29.247 74.269 1.00 42.25 C ATOM 1151 C GLN A 73 -6.288 28.323 73.656 1.00 44.24 C ATOM 1152 O GLN A 73 -6.942 27.555 74.362 1.00 41.25 O ATOM 1153 CB GLN A 73 -5.654 30.707 74.075 1.00 44.41 C ATOM 1154 CG GLN A 73 -4.929 31.672 74.999 1.00 65.34 C ATOM 1155 CD GLN A 73 -5.582 31.779 76.363 1.00 5.24 C ATOM 1156 OE1 GLN A 73 -6.456 32.617 76.582 1.00 72.33 O ATOM 1157 NE2 GLN A 73 -5.160 30.925 77.289 1.00 70.43 N ATOM 0 H GLN A 73 -3.442 29.856 73.379 1.00 5.35 H new ATOM 0 HA GLN A 73 -5.174 29.034 75.336 1.00 42.25 H new ATOM 0 HB2 GLN A 73 -5.465 30.995 73.041 1.00 44.41 H new ATOM 0 HB3 GLN A 73 -6.728 30.797 74.240 1.00 44.41 H new ATOM 0 HG2 GLN A 73 -3.896 31.346 75.120 1.00 65.34 H new ATOM 0 HG3 GLN A 73 -4.900 32.659 74.536 1.00 65.34 H new ATOM 0 HE21 GLN A 73 -4.433 30.246 77.063 1.00 70.43 H new ATOM 0 HE22 GLN A 73 -5.563 30.948 78.226 1.00 70.43 H new ATOM 1166 N HIS A 74 -6.443 28.404 72.339 1.00 32.10 N ATOM 1167 CA HIS A 74 -7.412 27.575 71.631 1.00 42.13 C ATOM 1168 C HIS A 74 -6.799 26.984 70.365 1.00 41.44 C ATOM 1169 O HIS A 74 -6.958 25.797 70.082 1.00 74.42 O ATOM 1170 CB HIS A 74 -8.653 28.394 71.276 1.00 71.52 C ATOM 1171 CG HIS A 74 -9.573 28.622 72.436 1.00 23.00 C ATOM 1172 ND1 HIS A 74 -9.515 29.746 73.233 1.00 21.13 N ATOM 1173 CD2 HIS A 74 -10.578 27.862 72.931 1.00 2.11 C ATOM 1174 CE1 HIS A 74 -10.444 29.666 74.168 1.00 54.21 C ATOM 1175 NE2 HIS A 74 -11.103 28.533 74.007 1.00 3.21 N ATOM 0 H HIS A 74 -5.910 29.035 71.740 1.00 32.10 H new ATOM 0 HA HIS A 74 -7.702 26.756 72.290 1.00 42.13 H new ATOM 0 HB2 HIS A 74 -8.340 29.359 70.877 1.00 71.52 H new ATOM 0 HB3 HIS A 74 -9.200 27.884 70.484 1.00 71.52 H new ATOM 0 HD2 HIS A 74 -10.906 26.906 72.550 1.00 2.11 H new ATOM 0 HE1 HIS A 74 -10.633 30.403 74.935 1.00 54.21 H new ATOM 0 HE2 HIS A 74 -11.876 28.209 74.588 1.00 3.21 H new ATOM 1183 N GLY A 75 -6.097 27.820 69.606 1.00 53.42 N ATOM 1184 CA GLY A 75 -5.471 27.362 68.379 1.00 12.22 C ATOM 1185 C GLY A 75 -6.375 27.522 67.173 1.00 52.20 C ATOM 1186 O GLY A 75 -5.902 27.600 66.039 1.00 11.03 O ATOM 0 H GLY A 75 -5.951 28.807 69.819 1.00 53.42 H new ATOM 0 HA2 GLY A 75 -4.549 27.920 68.215 1.00 12.22 H new ATOM 0 HA3 GLY A 75 -5.194 26.313 68.485 1.00 12.22 H new ATOM 1190 N THR A 76 -7.682 27.569 67.416 1.00 43.35 N ATOM 1191 CA THR A 76 -8.654 27.717 66.342 1.00 71.23 C ATOM 1192 C THR A 76 -8.890 29.187 66.012 1.00 43.23 C ATOM 1193 O THR A 76 -8.793 29.614 64.861 1.00 3.15 O ATOM 1194 CB THR A 76 -10.000 27.064 66.708 1.00 45.01 C ATOM 1195 OG1 THR A 76 -11.026 28.060 66.781 1.00 71.52 O ATOM 1196 CG2 THR A 76 -9.901 26.331 68.037 1.00 33.04 C ATOM 0 H THR A 76 -8.091 27.507 68.349 1.00 43.35 H new ATOM 0 HA THR A 76 -8.239 27.213 65.469 1.00 71.23 H new ATOM 0 HB THR A 76 -10.252 26.343 65.931 1.00 45.01 H new ATOM 0 HG1 THR A 76 -11.878 27.635 67.012 1.00 71.52 H new ATOM 0 HG21 THR A 76 -10.863 25.878 68.275 1.00 33.04 H new ATOM 0 HG22 THR A 76 -9.141 25.553 67.968 1.00 33.04 H new ATOM 0 HG23 THR A 76 -9.628 27.036 68.822 1.00 33.04 H new ATOM 1204 N PRO A 77 -9.206 29.983 67.045 1.00 64.43 N ATOM 1205 CA PRO A 77 -9.460 31.418 66.890 1.00 23.54 C ATOM 1206 C PRO A 77 -8.194 32.198 66.549 1.00 21.13 C ATOM 1207 O PRO A 77 -8.238 33.255 65.919 1.00 25.15 O ATOM 1208 CB PRO A 77 -9.991 31.835 68.263 1.00 75.51 C ATOM 1209 CG PRO A 77 -9.422 30.835 69.208 1.00 53.43 C ATOM 1210 CD PRO A 77 -9.338 29.543 68.443 1.00 50.20 C ATOM 0 HA PRO A 77 -10.149 31.623 66.071 1.00 23.54 H new ATOM 0 HB2 PRO A 77 -9.675 32.846 68.519 1.00 75.51 H new ATOM 0 HB3 PRO A 77 -11.081 31.826 68.286 1.00 75.51 H new ATOM 0 HG2 PRO A 77 -8.438 31.145 69.559 1.00 53.43 H new ATOM 0 HG3 PRO A 77 -10.055 30.726 70.089 1.00 53.43 H new ATOM 0 HD2 PRO A 77 -8.484 28.944 68.758 1.00 50.20 H new ATOM 0 HD3 PRO A 77 -10.228 28.931 68.589 1.00 50.20 H new ATOM 1218 N PRO A 78 -7.038 31.666 66.973 1.00 22.34 N ATOM 1219 CA PRO A 78 -5.738 32.295 66.722 1.00 53.13 C ATOM 1220 C PRO A 78 -5.339 32.236 65.252 1.00 50.12 C ATOM 1221 O PRO A 78 -5.013 31.171 64.728 1.00 13.45 O ATOM 1222 CB PRO A 78 -4.773 31.465 67.573 1.00 61.11 C ATOM 1223 CG PRO A 78 -5.433 30.137 67.706 1.00 12.20 C ATOM 1224 CD PRO A 78 -6.912 30.409 67.729 1.00 24.21 C ATOM 0 HA PRO A 78 -5.743 33.356 66.971 1.00 53.13 H new ATOM 0 HB2 PRO A 78 -3.798 31.376 67.094 1.00 61.11 H new ATOM 0 HB3 PRO A 78 -4.608 31.925 68.547 1.00 61.11 H new ATOM 0 HG2 PRO A 78 -5.169 29.485 66.873 1.00 12.20 H new ATOM 0 HG3 PRO A 78 -5.115 29.633 68.619 1.00 12.20 H new ATOM 0 HD2 PRO A 78 -7.477 29.601 67.263 1.00 24.21 H new ATOM 0 HD3 PRO A 78 -7.286 30.513 68.748 1.00 24.21 H new ATOM 1232 N THR A 79 -5.365 33.389 64.590 1.00 53.02 N ATOM 1233 CA THR A 79 -5.006 33.468 63.179 1.00 41.22 C ATOM 1234 C THR A 79 -4.692 34.903 62.772 1.00 64.33 C ATOM 1235 O THR A 79 -5.126 35.852 63.423 1.00 73.01 O ATOM 1236 CB THR A 79 -6.134 32.927 62.281 1.00 54.12 C ATOM 1237 OG1 THR A 79 -5.695 32.876 60.920 1.00 73.14 O ATOM 1238 CG2 THR A 79 -7.376 33.799 62.388 1.00 63.44 C ATOM 0 H THR A 79 -5.631 34.281 65.008 1.00 53.02 H new ATOM 0 HA THR A 79 -4.117 32.852 63.044 1.00 41.22 H new ATOM 0 HB THR A 79 -6.386 31.921 62.618 1.00 54.12 H new ATOM 0 HG1 THR A 79 -6.418 32.529 60.356 1.00 73.14 H new ATOM 0 HG21 THR A 79 -8.159 33.397 61.745 1.00 63.44 H new ATOM 0 HG22 THR A 79 -7.725 33.810 63.421 1.00 63.44 H new ATOM 0 HG23 THR A 79 -7.135 34.815 62.075 1.00 63.44 H new ATOM 1246 N ALA A 80 -3.935 35.053 61.690 1.00 53.24 N ATOM 1247 CA ALA A 80 -3.565 36.373 61.194 1.00 70.53 C ATOM 1248 C ALA A 80 -4.716 37.360 61.348 1.00 15.31 C ATOM 1249 O ALA A 80 -4.502 38.544 61.611 1.00 44.42 O ATOM 1250 CB ALA A 80 -3.131 36.287 59.738 1.00 74.14 C ATOM 0 H ALA A 80 -3.566 34.277 61.140 1.00 53.24 H new ATOM 0 HA ALA A 80 -2.728 36.736 61.790 1.00 70.53 H new ATOM 0 HB1 ALA A 80 -2.858 37.280 59.381 1.00 74.14 H new ATOM 0 HB2 ALA A 80 -2.272 35.621 59.653 1.00 74.14 H new ATOM 0 HB3 ALA A 80 -3.952 35.898 59.136 1.00 74.14 H new ATOM 1256 N SER A 81 -5.940 36.866 61.183 1.00 65.34 N ATOM 1257 CA SER A 81 -7.125 37.706 61.298 1.00 53.13 C ATOM 1258 C SER A 81 -7.385 38.081 62.754 1.00 13.41 C ATOM 1259 O SER A 81 -7.577 39.252 63.081 1.00 62.05 O ATOM 1260 CB SER A 81 -8.345 36.987 60.719 1.00 4.34 C ATOM 1261 OG SER A 81 -8.975 37.773 59.723 1.00 4.13 O ATOM 0 H SER A 81 -6.136 35.888 60.969 1.00 65.34 H new ATOM 0 HA SER A 81 -6.949 38.620 60.731 1.00 53.13 H new ATOM 0 HB2 SER A 81 -8.040 36.031 60.293 1.00 4.34 H new ATOM 0 HB3 SER A 81 -9.055 36.768 61.517 1.00 4.34 H new ATOM 0 HG SER A 81 -9.751 37.291 59.368 1.00 4.13 H new ATOM 1267 N ASP A 82 -7.391 37.076 63.625 1.00 34.40 N ATOM 1268 CA ASP A 82 -7.627 37.298 65.047 1.00 23.30 C ATOM 1269 C ASP A 82 -6.483 38.091 65.669 1.00 72.23 C ATOM 1270 O ASP A 82 -6.698 39.142 66.274 1.00 22.44 O ATOM 1271 CB ASP A 82 -7.793 35.962 65.772 1.00 54.31 C ATOM 1272 CG ASP A 82 -9.236 35.678 66.140 1.00 23.31 C ATOM 1273 OD1 ASP A 82 -10.062 35.518 65.217 1.00 64.43 O ATOM 1274 OD2 ASP A 82 -9.539 35.615 67.349 1.00 51.11 O ATOM 0 H ASP A 82 -7.235 36.101 63.371 1.00 34.40 H new ATOM 0 HA ASP A 82 -8.545 37.876 65.153 1.00 23.30 H new ATOM 0 HB2 ASP A 82 -7.418 35.159 65.138 1.00 54.31 H new ATOM 0 HB3 ASP A 82 -7.184 35.965 66.676 1.00 54.31 H new ATOM 1279 N VAL A 83 -5.265 37.581 65.520 1.00 23.03 N ATOM 1280 CA VAL A 83 -4.085 38.241 66.067 1.00 35.43 C ATOM 1281 C VAL A 83 -4.117 39.740 65.791 1.00 0.13 C ATOM 1282 O VAL A 83 -3.482 40.526 66.494 1.00 21.32 O ATOM 1283 CB VAL A 83 -2.789 37.650 65.483 1.00 52.54 C ATOM 1284 CG1 VAL A 83 -1.572 38.343 66.076 1.00 54.13 C ATOM 1285 CG2 VAL A 83 -2.731 36.150 65.730 1.00 22.31 C ATOM 0 H VAL A 83 -5.069 36.711 65.024 1.00 23.03 H new ATOM 0 HA VAL A 83 -4.099 38.072 67.144 1.00 35.43 H new ATOM 0 HB VAL A 83 -2.785 37.819 64.406 1.00 52.54 H new ATOM 0 HG11 VAL A 83 -0.665 37.912 65.652 1.00 54.13 H new ATOM 0 HG12 VAL A 83 -1.611 39.407 65.845 1.00 54.13 H new ATOM 0 HG13 VAL A 83 -1.567 38.207 67.157 1.00 54.13 H new ATOM 0 HG21 VAL A 83 -1.809 35.748 65.311 1.00 22.31 H new ATOM 0 HG22 VAL A 83 -2.757 35.957 66.802 1.00 22.31 H new ATOM 0 HG23 VAL A 83 -3.586 35.670 65.254 1.00 22.31 H new ATOM 1295 N VAL A 84 -4.862 40.131 64.761 1.00 64.03 N ATOM 1296 CA VAL A 84 -4.977 41.537 64.391 1.00 14.35 C ATOM 1297 C VAL A 84 -5.498 42.370 65.556 1.00 54.52 C ATOM 1298 O VAL A 84 -5.044 43.491 65.783 1.00 35.43 O ATOM 1299 CB VAL A 84 -5.914 41.723 63.182 1.00 51.33 C ATOM 1300 CG1 VAL A 84 -6.107 43.202 62.880 1.00 14.33 C ATOM 1301 CG2 VAL A 84 -5.368 40.988 61.968 1.00 61.31 C ATOM 0 H VAL A 84 -5.395 39.494 64.168 1.00 64.03 H new ATOM 0 HA VAL A 84 -3.977 41.878 64.123 1.00 14.35 H new ATOM 0 HB VAL A 84 -6.887 41.297 63.428 1.00 51.33 H new ATOM 0 HG11 VAL A 84 -6.771 43.315 62.023 1.00 14.33 H new ATOM 0 HG12 VAL A 84 -6.546 43.696 63.747 1.00 14.33 H new ATOM 0 HG13 VAL A 84 -5.142 43.656 62.653 1.00 14.33 H new ATOM 0 HG21 VAL A 84 -6.042 41.130 61.123 1.00 61.31 H new ATOM 0 HG22 VAL A 84 -4.383 41.382 61.717 1.00 61.31 H new ATOM 0 HG23 VAL A 84 -5.287 39.925 62.193 1.00 61.31 H new ATOM 1311 N GLY A 85 -6.452 41.813 66.296 1.00 34.35 N ATOM 1312 CA GLY A 85 -7.019 42.519 67.431 1.00 30.41 C ATOM 1313 C GLY A 85 -7.019 41.681 68.693 1.00 53.23 C ATOM 1314 O GLY A 85 -7.534 42.105 69.727 1.00 74.41 O ATOM 0 H GLY A 85 -6.842 40.885 66.130 1.00 34.35 H new ATOM 0 HA2 GLY A 85 -6.453 43.434 67.606 1.00 30.41 H new ATOM 0 HA3 GLY A 85 -8.041 42.817 67.196 1.00 30.41 H new ATOM 1318 N MET A 86 -6.441 40.487 68.610 1.00 60.53 N ATOM 1319 CA MET A 86 -6.376 39.588 69.755 1.00 12.12 C ATOM 1320 C MET A 86 -5.462 40.152 70.839 1.00 4.44 C ATOM 1321 O MET A 86 -5.801 40.172 72.022 1.00 55.05 O ATOM 1322 CB MET A 86 -5.881 38.208 69.320 1.00 41.34 C ATOM 1323 CG MET A 86 -6.185 37.107 70.324 1.00 54.13 C ATOM 1324 SD MET A 86 -4.843 35.912 70.473 1.00 31.21 S ATOM 1325 CE MET A 86 -5.373 34.662 69.306 1.00 30.13 C ATOM 0 H MET A 86 -6.011 40.120 67.761 1.00 60.53 H new ATOM 0 HA MET A 86 -7.381 39.492 70.167 1.00 12.12 H new ATOM 0 HB2 MET A 86 -6.338 37.952 68.364 1.00 41.34 H new ATOM 0 HB3 MET A 86 -4.804 38.252 69.157 1.00 41.34 H new ATOM 0 HG2 MET A 86 -6.378 37.554 71.299 1.00 54.13 H new ATOM 0 HG3 MET A 86 -7.096 36.589 70.024 1.00 54.13 H new ATOM 0 HE1 MET A 86 -4.501 34.229 68.815 1.00 30.13 H new ATOM 0 HE2 MET A 86 -5.918 33.879 69.834 1.00 30.13 H new ATOM 0 HE3 MET A 86 -6.023 35.115 68.557 1.00 30.13 H new ATOM 1335 N PRO A 87 -4.274 40.619 70.427 1.00 11.25 N ATOM 1336 CA PRO A 87 -3.286 41.191 71.348 1.00 33.44 C ATOM 1337 C PRO A 87 -3.732 42.536 71.911 1.00 43.44 C ATOM 1338 O PRO A 87 -4.819 43.019 71.602 1.00 12.14 O ATOM 1339 CB PRO A 87 -2.044 41.362 70.471 1.00 41.14 C ATOM 1340 CG PRO A 87 -2.572 41.485 69.084 1.00 64.34 C ATOM 1341 CD PRO A 87 -3.803 40.625 69.032 1.00 33.32 C ATOM 0 HA PRO A 87 -3.124 40.558 72.220 1.00 33.44 H new ATOM 0 HB2 PRO A 87 -1.476 42.247 70.758 1.00 41.14 H new ATOM 0 HB3 PRO A 87 -1.373 40.508 70.565 1.00 41.14 H new ATOM 0 HG2 PRO A 87 -2.810 42.522 68.848 1.00 64.34 H new ATOM 0 HG3 PRO A 87 -1.833 41.153 68.354 1.00 64.34 H new ATOM 0 HD2 PRO A 87 -4.553 41.037 68.357 1.00 33.32 H new ATOM 0 HD3 PRO A 87 -3.576 39.619 68.680 1.00 33.32 H new ATOM 1349 N GLN A 88 -2.881 43.136 72.739 1.00 34.41 N ATOM 1350 CA GLN A 88 -3.188 44.426 73.345 1.00 61.01 C ATOM 1351 C GLN A 88 -2.825 45.570 72.404 1.00 23.02 C ATOM 1352 O GLN A 88 -3.554 46.557 72.301 1.00 65.11 O ATOM 1353 CB GLN A 88 -2.438 44.582 74.669 1.00 12.22 C ATOM 1354 CG GLN A 88 -0.940 44.354 74.551 1.00 43.32 C ATOM 1355 CD GLN A 88 -0.407 43.412 75.612 1.00 14.31 C ATOM 1356 OE1 GLN A 88 -0.720 43.552 76.796 1.00 23.34 O ATOM 1357 NE2 GLN A 88 0.402 42.445 75.195 1.00 74.33 N ATOM 0 H GLN A 88 -1.975 42.749 73.005 1.00 34.41 H new ATOM 0 HA GLN A 88 -4.261 44.463 73.536 1.00 61.01 H new ATOM 0 HB2 GLN A 88 -2.615 45.584 75.061 1.00 12.22 H new ATOM 0 HB3 GLN A 88 -2.848 43.879 75.394 1.00 12.22 H new ATOM 0 HG2 GLN A 88 -0.715 43.949 73.565 1.00 43.32 H new ATOM 0 HG3 GLN A 88 -0.424 45.311 74.628 1.00 43.32 H new ATOM 0 HE21 GLN A 88 0.635 42.366 74.205 1.00 74.33 H new ATOM 0 HE22 GLN A 88 0.791 41.781 75.865 1.00 74.33 H new ATOM 1366 N TRP A 89 -1.695 45.431 71.720 1.00 12.22 N ATOM 1367 CA TRP A 89 -1.235 46.454 70.787 1.00 45.20 C ATOM 1368 C TRP A 89 -2.398 47.010 69.972 1.00 11.33 C ATOM 1369 O TRP A 89 -2.566 48.224 69.866 1.00 23.52 O ATOM 1370 CB TRP A 89 -0.170 45.878 69.852 1.00 70.13 C ATOM 1371 CG TRP A 89 -0.739 45.270 68.606 1.00 11.11 C ATOM 1372 CD1 TRP A 89 -1.043 43.955 68.401 1.00 3.12 C ATOM 1373 CD2 TRP A 89 -1.071 45.955 67.394 1.00 21.54 C ATOM 1374 NE1 TRP A 89 -1.543 43.780 67.133 1.00 1.13 N ATOM 1375 CE2 TRP A 89 -1.572 44.992 66.495 1.00 20.11 C ATOM 1376 CE3 TRP A 89 -0.997 47.287 66.979 1.00 31.33 C ATOM 1377 CZ2 TRP A 89 -1.994 45.321 65.210 1.00 72.31 C ATOM 1378 CZ3 TRP A 89 -1.416 47.612 65.703 1.00 34.11 C ATOM 1379 CH2 TRP A 89 -1.910 46.634 64.831 1.00 4.34 C ATOM 0 H TRP A 89 -1.080 44.620 71.794 1.00 12.22 H new ATOM 0 HA TRP A 89 -0.799 47.269 71.365 1.00 45.20 H new ATOM 0 HB2 TRP A 89 0.527 46.669 69.576 1.00 70.13 H new ATOM 0 HB3 TRP A 89 0.403 45.121 70.388 1.00 70.13 H new ATOM 0 HD1 TRP A 89 -0.910 43.168 69.128 1.00 3.12 H new ATOM 0 HE1 TRP A 89 -1.844 42.892 66.732 1.00 1.13 H new ATOM 0 HE3 TRP A 89 -0.619 48.049 67.644 1.00 31.33 H new ATOM 0 HZ2 TRP A 89 -2.374 44.568 64.536 1.00 72.31 H new ATOM 0 HZ3 TRP A 89 -1.362 48.639 65.372 1.00 34.11 H new ATOM 0 HH2 TRP A 89 -2.231 46.921 63.840 1.00 4.34 H new ATOM 1390 N GLN A 90 -3.196 46.113 69.401 1.00 73.22 N ATOM 1391 CA GLN A 90 -4.343 46.517 68.595 1.00 61.13 C ATOM 1392 C GLN A 90 -5.127 47.630 69.283 1.00 55.10 C ATOM 1393 O GLN A 90 -5.605 48.558 68.633 1.00 54.02 O ATOM 1394 CB GLN A 90 -5.257 45.319 68.335 1.00 2.11 C ATOM 1395 CG GLN A 90 -5.945 44.796 69.585 1.00 10.14 C ATOM 1396 CD GLN A 90 -7.340 45.361 69.764 1.00 3.15 C ATOM 1397 OE1 GLN A 90 -7.994 45.747 68.794 1.00 75.00 O ATOM 1398 NE2 GLN A 90 -7.805 45.411 71.006 1.00 31.10 N ATOM 0 H GLN A 90 -3.070 45.104 69.481 1.00 73.22 H new ATOM 0 HA GLN A 90 -3.971 46.895 67.643 1.00 61.13 H new ATOM 0 HB2 GLN A 90 -6.015 45.603 67.605 1.00 2.11 H new ATOM 0 HB3 GLN A 90 -4.671 44.515 67.890 1.00 2.11 H new ATOM 0 HG2 GLN A 90 -6.001 43.709 69.536 1.00 10.14 H new ATOM 0 HG3 GLN A 90 -5.342 45.045 70.458 1.00 10.14 H new ATOM 0 HE21 GLN A 90 -7.229 45.080 71.780 1.00 31.10 H new ATOM 0 HE22 GLN A 90 -8.739 45.780 71.187 1.00 31.10 H new ATOM 1407 N GLU A 91 -5.255 47.528 70.603 1.00 40.13 N ATOM 1408 CA GLU A 91 -5.982 48.526 71.378 1.00 32.10 C ATOM 1409 C GLU A 91 -5.093 49.724 71.695 1.00 44.24 C ATOM 1410 O GLU A 91 -5.530 50.872 71.624 1.00 72.54 O ATOM 1411 CB GLU A 91 -6.510 47.911 72.676 1.00 23.14 C ATOM 1412 CG GLU A 91 -7.470 48.814 73.431 1.00 2.31 C ATOM 1413 CD GLU A 91 -7.432 48.583 74.930 1.00 71.34 C ATOM 1414 OE1 GLU A 91 -7.396 47.406 75.347 1.00 54.00 O ATOM 1415 OE2 GLU A 91 -7.436 49.577 75.684 1.00 74.35 O ATOM 0 H GLU A 91 -4.865 46.765 71.157 1.00 40.13 H new ATOM 0 HA GLU A 91 -6.824 48.870 70.778 1.00 32.10 H new ATOM 0 HB2 GLU A 91 -7.013 46.972 72.445 1.00 23.14 H new ATOM 0 HB3 GLU A 91 -5.667 47.670 73.323 1.00 23.14 H new ATOM 0 HG2 GLU A 91 -7.225 49.855 73.221 1.00 2.31 H new ATOM 0 HG3 GLU A 91 -8.484 48.646 73.067 1.00 2.31 H new ATOM 1422 N TYR A 92 -3.841 49.447 72.047 1.00 30.43 N ATOM 1423 CA TYR A 92 -2.890 50.501 72.379 1.00 23.00 C ATOM 1424 C TYR A 92 -2.646 51.411 71.179 1.00 72.43 C ATOM 1425 O TYR A 92 -2.919 52.611 71.229 1.00 24.00 O ATOM 1426 CB TYR A 92 -1.567 49.893 72.848 1.00 2.35 C ATOM 1427 CG TYR A 92 -1.592 49.425 74.286 1.00 11.23 C ATOM 1428 CD1 TYR A 92 -2.467 48.426 74.696 1.00 54.11 C ATOM 1429 CD2 TYR A 92 -0.743 49.981 75.233 1.00 52.41 C ATOM 1430 CE1 TYR A 92 -2.495 47.995 76.009 1.00 52.11 C ATOM 1431 CE2 TYR A 92 -0.762 49.556 76.548 1.00 34.54 C ATOM 1432 CZ TYR A 92 -1.640 48.563 76.931 1.00 61.31 C ATOM 1433 OH TYR A 92 -1.664 48.137 78.239 1.00 74.52 O ATOM 0 H TYR A 92 -3.462 48.502 72.109 1.00 30.43 H new ATOM 0 HA TYR A 92 -3.315 51.098 73.186 1.00 23.00 H new ATOM 0 HB2 TYR A 92 -1.316 49.050 72.205 1.00 2.35 H new ATOM 0 HB3 TYR A 92 -0.775 50.632 72.729 1.00 2.35 H new ATOM 0 HD1 TYR A 92 -3.137 47.979 73.976 1.00 54.11 H new ATOM 0 HD2 TYR A 92 -0.055 50.759 74.937 1.00 52.41 H new ATOM 0 HE1 TYR A 92 -3.182 47.218 76.311 1.00 52.11 H new ATOM 0 HE2 TYR A 92 -0.093 49.999 77.272 1.00 34.54 H new ATOM 0 HH TYR A 92 -1.000 48.637 78.758 1.00 74.52 H new ATOM 1443 N THR A 93 -2.129 50.833 70.099 1.00 2.32 N ATOM 1444 CA THR A 93 -1.847 51.590 68.887 1.00 23.51 C ATOM 1445 C THR A 93 -2.991 52.541 68.555 1.00 34.44 C ATOM 1446 O THR A 93 -2.775 53.613 67.991 1.00 33.50 O ATOM 1447 CB THR A 93 -1.605 50.657 67.686 1.00 22.21 C ATOM 1448 OG1 THR A 93 -1.309 51.430 66.517 1.00 33.53 O ATOM 1449 CG2 THR A 93 -2.822 49.782 67.426 1.00 0.11 C ATOM 0 H THR A 93 -1.897 49.841 70.040 1.00 2.32 H new ATOM 0 HA THR A 93 -0.942 52.167 69.077 1.00 23.51 H new ATOM 0 HB THR A 93 -0.757 50.013 67.920 1.00 22.21 H new ATOM 0 HG1 THR A 93 -0.340 51.557 66.446 1.00 33.53 H new ATOM 0 HG21 THR A 93 -2.627 49.132 66.573 1.00 0.11 H new ATOM 0 HG22 THR A 93 -3.028 49.174 68.307 1.00 0.11 H new ATOM 0 HG23 THR A 93 -3.685 50.413 67.212 1.00 0.11 H new ATOM 1457 N ALA A 94 -4.208 52.142 68.909 1.00 20.52 N ATOM 1458 CA ALA A 94 -5.386 52.961 68.650 1.00 71.25 C ATOM 1459 C ALA A 94 -5.338 54.260 69.449 1.00 5.35 C ATOM 1460 O ALA A 94 -5.722 55.319 68.953 1.00 52.42 O ATOM 1461 CB ALA A 94 -6.652 52.184 68.979 1.00 65.41 C ATOM 0 H ALA A 94 -4.404 51.257 69.376 1.00 20.52 H new ATOM 0 HA ALA A 94 -5.394 53.216 67.590 1.00 71.25 H new ATOM 0 HB1 ALA A 94 -7.524 52.808 68.781 1.00 65.41 H new ATOM 0 HB2 ALA A 94 -6.699 51.287 68.361 1.00 65.41 H new ATOM 0 HB3 ALA A 94 -6.641 51.899 70.031 1.00 65.41 H new ATOM 1467 N MET A 95 -4.864 54.170 70.687 1.00 62.35 N ATOM 1468 CA MET A 95 -4.766 55.339 71.554 1.00 43.34 C ATOM 1469 C MET A 95 -3.851 56.395 70.941 1.00 30.13 C ATOM 1470 O MET A 95 -3.936 57.576 71.279 1.00 13.30 O ATOM 1471 CB MET A 95 -4.244 54.934 72.934 1.00 65.32 C ATOM 1472 CG MET A 95 -5.049 55.518 74.083 1.00 51.51 C ATOM 1473 SD MET A 95 -5.710 54.251 75.183 1.00 44.33 S ATOM 1474 CE MET A 95 -7.459 54.360 74.815 1.00 63.23 C ATOM 0 H MET A 95 -4.542 53.301 71.112 1.00 62.35 H new ATOM 0 HA MET A 95 -5.763 55.766 71.661 1.00 43.34 H new ATOM 0 HB2 MET A 95 -4.251 53.847 73.012 1.00 65.32 H new ATOM 0 HB3 MET A 95 -3.206 55.253 73.029 1.00 65.32 H new ATOM 0 HG2 MET A 95 -4.417 56.197 74.656 1.00 51.51 H new ATOM 0 HG3 MET A 95 -5.871 56.110 73.681 1.00 51.51 H new ATOM 0 HE1 MET A 95 -8.004 53.635 75.419 1.00 63.23 H new ATOM 0 HE2 MET A 95 -7.817 55.364 75.043 1.00 63.23 H new ATOM 0 HE3 MET A 95 -7.622 54.148 73.758 1.00 63.23 H new ATOM 1484 N LEU A 96 -2.977 55.962 70.039 1.00 40.34 N ATOM 1485 CA LEU A 96 -2.046 56.870 69.379 1.00 22.33 C ATOM 1486 C LEU A 96 -2.724 57.602 68.225 1.00 34.13 C ATOM 1487 O LEU A 96 -2.722 58.832 68.169 1.00 45.35 O ATOM 1488 CB LEU A 96 -0.829 56.100 68.864 1.00 22.33 C ATOM 1489 CG LEU A 96 -0.453 54.840 69.645 1.00 23.43 C ATOM 1490 CD1 LEU A 96 0.716 54.129 68.980 1.00 41.03 C ATOM 1491 CD2 LEU A 96 -0.118 55.187 71.088 1.00 63.30 C ATOM 0 H LEU A 96 -2.894 54.988 69.748 1.00 40.34 H new ATOM 0 HA LEU A 96 -1.718 57.608 70.111 1.00 22.33 H new ATOM 0 HB2 LEU A 96 -1.014 55.819 67.827 1.00 22.33 H new ATOM 0 HB3 LEU A 96 0.029 56.773 68.864 1.00 22.33 H new ATOM 0 HG LEU A 96 -1.310 54.166 69.644 1.00 23.43 H new ATOM 0 HD11 LEU A 96 0.970 53.235 69.549 1.00 41.03 H new ATOM 0 HD12 LEU A 96 0.440 53.846 67.964 1.00 41.03 H new ATOM 0 HD13 LEU A 96 1.578 54.796 68.949 1.00 41.03 H new ATOM 0 HD21 LEU A 96 0.147 54.278 71.629 1.00 63.30 H new ATOM 0 HD22 LEU A 96 0.723 55.881 71.110 1.00 63.30 H new ATOM 0 HD23 LEU A 96 -0.983 55.651 71.561 1.00 63.30 H new ATOM 1503 N ARG A 97 -3.307 56.837 67.307 1.00 12.12 N ATOM 1504 CA ARG A 97 -3.991 57.412 66.156 1.00 21.50 C ATOM 1505 C ARG A 97 -5.240 58.174 66.589 1.00 43.12 C ATOM 1506 O ARG A 97 -5.497 59.282 66.118 1.00 10.54 O ATOM 1507 CB ARG A 97 -4.371 56.314 65.160 1.00 60.01 C ATOM 1508 CG ARG A 97 -5.095 55.140 65.796 1.00 1.43 C ATOM 1509 CD ARG A 97 -4.595 53.812 65.247 1.00 33.21 C ATOM 1510 NE ARG A 97 -5.672 53.026 64.653 1.00 1.14 N ATOM 1511 CZ ARG A 97 -6.308 53.372 63.540 1.00 30.33 C ATOM 1512 NH1 ARG A 97 -5.976 54.486 62.902 1.00 2.13 N ATOM 1513 NH2 ARG A 97 -7.277 52.603 63.061 1.00 23.53 N ATOM 0 H ARG A 97 -3.319 55.818 67.339 1.00 12.12 H new ATOM 0 HA ARG A 97 -3.309 58.112 65.673 1.00 21.50 H new ATOM 0 HB2 ARG A 97 -5.004 56.743 64.383 1.00 60.01 H new ATOM 0 HB3 ARG A 97 -3.467 55.951 64.670 1.00 60.01 H new ATOM 0 HG2 ARG A 97 -4.952 55.165 66.876 1.00 1.43 H new ATOM 0 HG3 ARG A 97 -6.166 55.230 65.614 1.00 1.43 H new ATOM 0 HD2 ARG A 97 -3.825 53.996 64.498 1.00 33.21 H new ATOM 0 HD3 ARG A 97 -4.129 53.240 66.049 1.00 33.21 H new ATOM 0 HE ARG A 97 -5.952 52.163 65.119 1.00 1.14 H new ATOM 0 HH11 ARG A 97 -5.230 55.079 63.266 1.00 2.13 H new ATOM 0 HH12 ARG A 97 -6.466 54.750 62.047 1.00 2.13 H new ATOM 0 HH21 ARG A 97 -7.535 51.744 63.548 1.00 23.53 H new ATOM 0 HH22 ARG A 97 -7.765 52.870 62.206 1.00 23.53 H new ATOM 1527 N GLU A 98 -6.011 57.572 67.489 1.00 75.25 N ATOM 1528 CA GLU A 98 -7.234 58.194 67.984 1.00 54.22 C ATOM 1529 C GLU A 98 -6.914 59.309 68.978 1.00 3.43 C ATOM 1530 O GLU A 98 -7.348 60.448 68.810 1.00 31.04 O ATOM 1531 CB GLU A 98 -8.132 57.148 68.647 1.00 15.22 C ATOM 1532 CG GLU A 98 -9.246 57.748 69.490 1.00 44.23 C ATOM 1533 CD GLU A 98 -10.118 56.692 70.141 1.00 30.33 C ATOM 1534 OE1 GLU A 98 -11.082 56.234 69.492 1.00 63.22 O ATOM 1535 OE2 GLU A 98 -9.836 56.323 71.300 1.00 4.24 O ATOM 0 H GLU A 98 -5.811 56.656 67.890 1.00 75.25 H new ATOM 0 HA GLU A 98 -7.760 58.628 67.134 1.00 54.22 H new ATOM 0 HB2 GLU A 98 -8.572 56.517 67.875 1.00 15.22 H new ATOM 0 HB3 GLU A 98 -7.520 56.502 69.276 1.00 15.22 H new ATOM 0 HG2 GLU A 98 -8.811 58.381 70.263 1.00 44.23 H new ATOM 0 HG3 GLU A 98 -9.865 58.390 68.863 1.00 44.23 H new ATOM 1542 N ARG A 99 -6.150 58.969 70.012 1.00 33.21 N ATOM 1543 CA ARG A 99 -5.774 59.939 71.033 1.00 60.23 C ATOM 1544 C ARG A 99 -4.505 60.686 70.631 1.00 54.44 C ATOM 1545 O ARG A 99 -3.792 61.221 71.481 1.00 2.20 O ATOM 1546 CB ARG A 99 -5.563 59.240 72.378 1.00 43.11 C ATOM 1547 CG ARG A 99 -6.368 59.848 73.513 1.00 34.11 C ATOM 1548 CD ARG A 99 -5.987 61.300 73.752 1.00 72.23 C ATOM 1549 NE ARG A 99 -5.781 61.587 75.169 1.00 34.12 N ATOM 1550 CZ ARG A 99 -5.898 62.800 75.699 1.00 21.20 C ATOM 1551 NH1 ARG A 99 -6.217 63.834 74.932 1.00 23.33 N ATOM 1552 NH2 ARG A 99 -5.696 62.981 76.997 1.00 53.40 N ATOM 0 H ARG A 99 -5.780 58.031 70.164 1.00 33.21 H new ATOM 0 HA ARG A 99 -6.585 60.661 71.130 1.00 60.23 H new ATOM 0 HB2 ARG A 99 -5.830 58.188 72.277 1.00 43.11 H new ATOM 0 HB3 ARG A 99 -4.504 59.276 72.635 1.00 43.11 H new ATOM 0 HG2 ARG A 99 -7.431 59.783 73.282 1.00 34.11 H new ATOM 0 HG3 ARG A 99 -6.205 59.273 74.425 1.00 34.11 H new ATOM 0 HD2 ARG A 99 -5.076 61.531 73.199 1.00 72.23 H new ATOM 0 HD3 ARG A 99 -6.770 61.949 73.361 1.00 72.23 H new ATOM 0 HE ARG A 99 -5.534 60.813 75.786 1.00 34.12 H new ATOM 0 HH11 ARG A 99 -6.373 63.699 73.933 1.00 23.33 H new ATOM 0 HH12 ARG A 99 -6.306 64.764 75.341 1.00 23.33 H new ATOM 0 HH21 ARG A 99 -5.450 62.188 77.590 1.00 53.40 H new ATOM 0 HH22 ARG A 99 -5.786 63.913 77.402 1.00 53.40 H new ATOM 1566 N PHE A 100 -4.229 60.717 69.332 1.00 0.12 N ATOM 1567 CA PHE A 100 -3.046 61.396 68.818 1.00 70.41 C ATOM 1568 C PHE A 100 -2.912 62.790 69.425 1.00 71.41 C ATOM 1569 O PHE A 100 -1.805 63.280 69.643 1.00 65.31 O ATOM 1570 CB PHE A 100 -3.113 61.497 67.292 1.00 61.14 C ATOM 1571 CG PHE A 100 -4.059 62.554 66.801 1.00 74.33 C ATOM 1572 CD1 PHE A 100 -5.409 62.489 67.105 1.00 74.33 C ATOM 1573 CD2 PHE A 100 -3.599 63.614 66.036 1.00 71.02 C ATOM 1574 CE1 PHE A 100 -6.283 63.462 66.656 1.00 32.00 C ATOM 1575 CE2 PHE A 100 -4.468 64.589 65.584 1.00 21.23 C ATOM 1576 CZ PHE A 100 -5.812 64.512 65.893 1.00 41.22 C ATOM 0 H PHE A 100 -4.809 60.280 68.616 1.00 0.12 H new ATOM 0 HA PHE A 100 -2.171 60.810 69.099 1.00 70.41 H new ATOM 0 HB2 PHE A 100 -2.115 61.706 66.906 1.00 61.14 H new ATOM 0 HB3 PHE A 100 -3.416 60.532 66.885 1.00 61.14 H new ATOM 0 HD1 PHE A 100 -5.783 61.669 67.700 1.00 74.33 H new ATOM 0 HD2 PHE A 100 -2.549 63.679 65.790 1.00 71.02 H new ATOM 0 HE1 PHE A 100 -7.333 63.401 66.902 1.00 32.00 H new ATOM 0 HE2 PHE A 100 -4.096 65.411 64.990 1.00 21.23 H new ATOM 0 HZ PHE A 100 -6.493 65.272 65.539 1.00 41.22 H new ATOM 1586 N ALA A 101 -4.049 63.423 69.696 1.00 23.24 N ATOM 1587 CA ALA A 101 -4.060 64.759 70.279 1.00 51.12 C ATOM 1588 C ALA A 101 -3.127 64.840 71.482 1.00 63.53 C ATOM 1589 O ALA A 101 -2.543 65.888 71.758 1.00 34.13 O ATOM 1590 CB ALA A 101 -5.475 65.148 70.680 1.00 34.41 C ATOM 0 H ALA A 101 -4.975 63.032 69.521 1.00 23.24 H new ATOM 0 HA ALA A 101 -3.701 65.460 69.526 1.00 51.12 H new ATOM 0 HB1 ALA A 101 -5.468 66.148 71.114 1.00 34.41 H new ATOM 0 HB2 ALA A 101 -6.118 65.139 69.800 1.00 34.41 H new ATOM 0 HB3 ALA A 101 -5.854 64.437 71.414 1.00 34.41 H new ATOM 1596 N GLY A 102 -2.989 63.726 72.195 1.00 63.12 N ATOM 1597 CA GLY A 102 -2.126 63.694 73.361 1.00 71.02 C ATOM 1598 C GLY A 102 -0.979 62.714 73.206 1.00 63.22 C ATOM 1599 O GLY A 102 -0.956 61.667 73.855 1.00 64.12 O ATOM 0 H GLY A 102 -3.459 62.846 71.986 1.00 63.12 H new ATOM 0 HA2 GLY A 102 -1.726 64.692 73.541 1.00 71.02 H new ATOM 0 HA3 GLY A 102 -2.715 63.424 74.238 1.00 71.02 H new ATOM 1603 N LEU A 103 -0.027 63.053 72.344 1.00 4.53 N ATOM 1604 CA LEU A 103 1.129 62.194 72.104 1.00 55.31 C ATOM 1605 C LEU A 103 2.365 62.731 72.819 1.00 33.34 C ATOM 1606 O LEU A 103 2.999 63.679 72.355 1.00 63.12 O ATOM 1607 CB LEU A 103 1.402 62.082 70.604 1.00 24.33 C ATOM 1608 CG LEU A 103 0.410 61.238 69.802 1.00 12.21 C ATOM 1609 CD1 LEU A 103 0.565 61.504 68.313 1.00 21.34 C ATOM 1610 CD2 LEU A 103 0.602 59.759 70.104 1.00 51.20 C ATOM 0 H LEU A 103 -0.032 63.916 71.800 1.00 4.53 H new ATOM 0 HA LEU A 103 0.904 61.204 72.501 1.00 55.31 H new ATOM 0 HB2 LEU A 103 1.418 63.087 70.182 1.00 24.33 H new ATOM 0 HB3 LEU A 103 2.399 61.663 70.467 1.00 24.33 H new ATOM 0 HG LEU A 103 -0.600 61.521 70.098 1.00 12.21 H new ATOM 0 HD11 LEU A 103 -0.149 60.895 67.758 1.00 21.34 H new ATOM 0 HD12 LEU A 103 0.377 62.558 68.110 1.00 21.34 H new ATOM 0 HD13 LEU A 103 1.578 61.250 68.002 1.00 21.34 H new ATOM 0 HD21 LEU A 103 -0.112 59.174 69.525 1.00 51.20 H new ATOM 0 HD22 LEU A 103 1.616 59.462 69.837 1.00 51.20 H new ATOM 0 HD23 LEU A 103 0.440 59.581 71.167 1.00 51.20 H new ATOM 1622 N ASP A 104 2.701 62.120 73.949 1.00 1.33 N ATOM 1623 CA ASP A 104 3.863 62.534 74.727 1.00 22.25 C ATOM 1624 C ASP A 104 4.683 61.324 75.165 1.00 52.43 C ATOM 1625 O ASP A 104 4.302 60.179 74.918 1.00 54.51 O ATOM 1626 CB ASP A 104 3.423 63.339 75.950 1.00 5.21 C ATOM 1627 CG ASP A 104 4.284 64.567 76.175 1.00 33.22 C ATOM 1628 OD1 ASP A 104 4.120 65.551 75.425 1.00 1.03 O ATOM 1629 OD2 ASP A 104 5.122 64.542 77.101 1.00 64.44 O ATOM 0 H ASP A 104 2.185 61.336 74.347 1.00 1.33 H new ATOM 0 HA ASP A 104 4.489 63.163 74.094 1.00 22.25 H new ATOM 0 HB2 ASP A 104 2.384 63.645 75.826 1.00 5.21 H new ATOM 0 HB3 ASP A 104 3.464 62.703 76.834 1.00 5.21 H new ATOM 1634 N THR A 105 5.812 61.586 75.816 1.00 5.33 N ATOM 1635 CA THR A 105 6.687 60.519 76.287 1.00 61.15 C ATOM 1636 C THR A 105 6.203 59.960 77.619 1.00 12.54 C ATOM 1637 O THR A 105 6.454 58.798 77.943 1.00 75.10 O ATOM 1638 CB THR A 105 8.137 61.013 76.448 1.00 61.21 C ATOM 1639 OG1 THR A 105 8.955 59.965 76.979 1.00 0.54 O ATOM 1640 CG2 THR A 105 8.198 62.226 77.364 1.00 4.45 C ATOM 0 H THR A 105 6.142 62.527 76.029 1.00 5.33 H new ATOM 0 HA THR A 105 6.660 59.732 75.534 1.00 61.15 H new ATOM 0 HB THR A 105 8.510 61.302 75.465 1.00 61.21 H new ATOM 0 HG1 THR A 105 9.876 60.286 77.077 1.00 0.54 H new ATOM 0 HG21 THR A 105 9.232 62.556 77.462 1.00 4.45 H new ATOM 0 HG22 THR A 105 7.598 63.032 76.941 1.00 4.45 H new ATOM 0 HG23 THR A 105 7.807 61.960 78.346 1.00 4.45 H new ATOM 1648 N ILE A 106 5.507 60.791 78.388 1.00 2.52 N ATOM 1649 CA ILE A 106 4.987 60.376 79.685 1.00 73.23 C ATOM 1650 C ILE A 106 5.955 59.434 80.391 1.00 24.31 C ATOM 1651 O ILE A 106 5.542 58.547 81.138 1.00 2.03 O ATOM 1652 CB ILE A 106 3.620 59.680 79.547 1.00 41.13 C ATOM 1653 CG1 ILE A 106 3.724 58.489 78.591 1.00 51.25 C ATOM 1654 CG2 ILE A 106 2.570 60.667 79.059 1.00 50.12 C ATOM 1655 CD1 ILE A 106 3.749 58.886 77.132 1.00 31.41 C ATOM 0 H ILE A 106 5.290 61.755 78.135 1.00 2.52 H new ATOM 0 HA ILE A 106 4.867 61.281 80.280 1.00 73.23 H new ATOM 0 HB ILE A 106 3.316 59.311 80.527 1.00 41.13 H new ATOM 0 HG12 ILE A 106 4.629 57.926 78.822 1.00 51.25 H new ATOM 0 HG13 ILE A 106 2.880 57.821 78.763 1.00 51.25 H new ATOM 0 HG21 ILE A 106 1.609 60.160 78.966 1.00 50.12 H new ATOM 0 HG22 ILE A 106 2.481 61.486 79.773 1.00 50.12 H new ATOM 0 HG23 ILE A 106 2.866 61.063 78.088 1.00 50.12 H new ATOM 0 HD11 ILE A 106 3.824 57.992 76.513 1.00 31.41 H new ATOM 0 HD12 ILE A 106 2.833 59.423 76.885 1.00 31.41 H new ATOM 0 HD13 ILE A 106 4.608 59.530 76.945 1.00 31.41 H new TER 1667 ILE A 106