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 Single : A 1 LYS N :NH3+ -173:sc= -0.311 (180deg=-0.345) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.86) USER MOD Single : A 7 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -1.77 K(o=-1.8,f=0.1) USER MOD Single : A 13 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.92) USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00368) USER MOD Single : A 26 SER OG : rot 9:sc= -1.07! USER MOD Single : A 27 MET CE :methyl -146:sc= -1.24 (180deg=-1.96!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc=-0.00735 (180deg=-0.00735) USER MOD Single : A 37 MET CE :methyl -172:sc= -10.6! (180deg=-11.3!) USER MOD Single : A 38 GLN : amide:sc= -0.814 K(o=-0.81,f=-2) USER MOD Single : A 39 ASN : amide:sc= -3.9! C(o=-3.9!,f=-7.5!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.375 USER MOD Single : A 59 THR OG1 : rot -133:sc= -1.51! 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 X(o=0,f=-0.11) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.187 X(o=-0.19,f=0) USER MOD Single : A 76 THR OG1 : rot -142:sc= -2.02! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 169:sc= -0.392 (180deg=-0.822) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 90 GLN : amide:sc= -0.39 K(o=-0.39,f=-3.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 125:sc= 1.59 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 6.463 78.052 65.577 1.00 22.33 N ATOM 2 CA LYS A 1 7.204 78.364 66.793 1.00 35.45 C ATOM 3 C LYS A 1 7.111 79.851 67.120 1.00 12.00 C ATOM 4 O LYS A 1 8.098 80.470 67.515 1.00 13.34 O ATOM 5 CB LYS A 1 8.669 77.955 66.642 1.00 5.35 C ATOM 6 CG LYS A 1 8.865 76.466 66.409 1.00 12.21 C ATOM 7 CD LYS A 1 10.335 76.111 66.267 1.00 62.44 C ATOM 8 CE LYS A 1 10.579 75.213 65.063 1.00 35.31 C ATOM 9 NZ LYS A 1 10.695 75.996 63.802 1.00 50.53 N ATOM 0 H1 LYS A 1 6.441 77.021 65.439 1.00 22.33 H new ATOM 0 H2 LYS A 1 5.491 78.411 65.661 1.00 22.33 H new ATOM 0 H3 LYS A 1 6.928 78.500 64.762 1.00 22.33 H new ATOM 0 HA LYS A 1 6.760 77.801 67.614 1.00 35.45 H new ATOM 0 HB2 LYS A 1 9.107 78.505 65.809 1.00 5.35 H new ATOM 0 HB3 LYS A 1 9.214 78.248 67.539 1.00 5.35 H new ATOM 0 HG2 LYS A 1 8.434 75.907 67.240 1.00 12.21 H new ATOM 0 HG3 LYS A 1 8.329 76.164 65.509 1.00 12.21 H new ATOM 0 HD2 LYS A 1 10.922 77.024 66.166 1.00 62.44 H new ATOM 0 HD3 LYS A 1 10.678 75.609 67.172 1.00 62.44 H new ATOM 0 HE2 LYS A 1 11.491 74.637 65.218 1.00 35.31 H new ATOM 0 HE3 LYS A 1 9.762 74.497 64.972 1.00 35.31 H new ATOM 0 HZ1 LYS A 1 10.861 75.348 63.005 1.00 50.53 H new ATOM 0 HZ2 LYS A 1 9.815 76.526 63.640 1.00 50.53 H new ATOM 0 HZ3 LYS A 1 11.491 76.661 63.879 1.00 50.53 H new ATOM 23 N GLN A 2 5.919 80.416 66.955 1.00 4.35 N ATOM 24 CA GLN A 2 5.700 81.830 67.234 1.00 25.05 C ATOM 25 C GLN A 2 5.208 82.033 68.662 1.00 51.52 C ATOM 26 O GLN A 2 5.698 82.907 69.378 1.00 73.30 O ATOM 27 CB GLN A 2 4.688 82.415 66.246 1.00 61.21 C ATOM 28 CG GLN A 2 3.321 81.753 66.312 1.00 33.14 C ATOM 29 CD GLN A 2 2.425 82.146 65.153 1.00 45.55 C ATOM 30 OE1 GLN A 2 1.568 83.019 65.285 1.00 64.41 O ATOM 31 NE2 GLN A 2 2.622 81.501 64.010 1.00 24.51 N ATOM 0 H GLN A 2 5.091 79.917 66.630 1.00 4.35 H new ATOM 0 HA GLN A 2 6.652 82.349 67.120 1.00 25.05 H new ATOM 0 HB2 GLN A 2 4.576 83.481 66.442 1.00 61.21 H new ATOM 0 HB3 GLN A 2 5.082 82.317 65.234 1.00 61.21 H new ATOM 0 HG2 GLN A 2 3.446 80.670 66.319 1.00 33.14 H new ATOM 0 HG3 GLN A 2 2.835 82.024 67.250 1.00 33.14 H new ATOM 0 HE21 GLN A 2 3.345 80.784 63.947 1.00 24.51 H new ATOM 0 HE22 GLN A 2 2.051 81.722 63.195 1.00 24.51 H new ATOM 40 N GLN A 3 4.241 81.220 69.072 1.00 34.51 N ATOM 41 CA GLN A 3 3.682 81.312 70.416 1.00 41.21 C ATOM 42 C GLN A 3 4.427 80.392 71.378 1.00 64.12 C ATOM 43 O GLN A 3 5.032 80.849 72.349 1.00 72.52 O ATOM 44 CB GLN A 3 2.195 80.957 70.400 1.00 34.13 C ATOM 45 CG GLN A 3 1.316 81.985 71.094 1.00 2.02 C ATOM 46 CD GLN A 3 0.892 83.109 70.169 1.00 0.04 C ATOM 47 OE1 GLN A 3 1.558 84.141 70.082 1.00 12.53 O ATOM 48 NE2 GLN A 3 -0.221 82.914 69.473 1.00 33.44 N ATOM 0 H GLN A 3 3.828 80.489 68.493 1.00 34.51 H new ATOM 0 HA GLN A 3 3.797 82.340 70.761 1.00 41.21 H new ATOM 0 HB2 GLN A 3 1.867 80.850 69.366 1.00 34.13 H new ATOM 0 HB3 GLN A 3 2.056 79.989 70.881 1.00 34.13 H new ATOM 0 HG2 GLN A 3 0.429 81.491 71.490 1.00 2.02 H new ATOM 0 HG3 GLN A 3 1.854 82.403 71.945 1.00 2.02 H new ATOM 0 HE21 GLN A 3 -0.741 82.043 69.577 1.00 33.44 H new ATOM 0 HE22 GLN A 3 -0.556 83.635 68.834 1.00 33.44 H new ATOM 57 N LEU A 4 4.378 79.093 71.103 1.00 74.34 N ATOM 58 CA LEU A 4 5.048 78.108 71.945 1.00 0.32 C ATOM 59 C LEU A 4 6.146 77.387 71.171 1.00 44.03 C ATOM 60 O LEU A 4 5.877 76.698 70.188 1.00 32.35 O ATOM 61 CB LEU A 4 4.036 77.093 72.480 1.00 2.25 C ATOM 62 CG LEU A 4 3.509 77.350 73.892 1.00 45.13 C ATOM 63 CD1 LEU A 4 2.203 76.606 74.120 1.00 23.35 C ATOM 64 CD2 LEU A 4 4.545 76.942 74.930 1.00 64.32 C ATOM 0 H LEU A 4 3.882 78.698 70.304 1.00 74.34 H new ATOM 0 HA LEU A 4 5.505 78.634 72.783 1.00 0.32 H new ATOM 0 HB2 LEU A 4 3.187 77.062 71.797 1.00 2.25 H new ATOM 0 HB3 LEU A 4 4.497 76.106 72.460 1.00 2.25 H new ATOM 0 HG LEU A 4 3.317 78.418 73.998 1.00 45.13 H new ATOM 0 HD11 LEU A 4 1.844 76.802 75.131 1.00 23.35 H new ATOM 0 HD12 LEU A 4 1.460 76.946 73.399 1.00 23.35 H new ATOM 0 HD13 LEU A 4 2.367 75.536 73.994 1.00 23.35 H new ATOM 0 HD21 LEU A 4 4.153 77.132 75.929 1.00 64.32 H new ATOM 0 HD22 LEU A 4 4.768 75.880 74.823 1.00 64.32 H new ATOM 0 HD23 LEU A 4 5.456 77.521 74.782 1.00 64.32 H new ATOM 76 N GLN A 5 7.386 77.550 71.623 1.00 23.42 N ATOM 77 CA GLN A 5 8.526 76.914 70.972 1.00 62.01 C ATOM 78 C GLN A 5 8.364 75.398 70.952 1.00 12.43 C ATOM 79 O GLN A 5 7.494 74.848 71.628 1.00 24.12 O ATOM 80 CB GLN A 5 9.824 77.290 71.688 1.00 53.41 C ATOM 81 CG GLN A 5 9.994 76.610 73.037 1.00 71.34 C ATOM 82 CD GLN A 5 10.739 77.474 74.036 1.00 11.02 C ATOM 83 OE1 GLN A 5 10.531 78.686 74.103 1.00 2.15 O ATOM 84 NE2 GLN A 5 11.613 76.854 74.820 1.00 3.23 N ATOM 0 H GLN A 5 7.626 78.116 72.436 1.00 23.42 H new ATOM 0 HA GLN A 5 8.571 77.271 69.943 1.00 62.01 H new ATOM 0 HB2 GLN A 5 10.669 77.030 71.051 1.00 53.41 H new ATOM 0 HB3 GLN A 5 9.851 78.370 71.829 1.00 53.41 H new ATOM 0 HG2 GLN A 5 9.013 76.360 73.440 1.00 71.34 H new ATOM 0 HG3 GLN A 5 10.532 75.672 72.902 1.00 71.34 H new ATOM 0 HE21 GLN A 5 11.754 75.848 74.731 1.00 3.23 H new ATOM 0 HE22 GLN A 5 12.143 77.384 75.512 1.00 3.23 H new ATOM 93 N GLU A 6 9.206 74.728 70.173 1.00 25.01 N ATOM 94 CA GLU A 6 9.155 73.274 70.064 1.00 31.02 C ATOM 95 C GLU A 6 10.517 72.658 70.367 1.00 1.33 C ATOM 96 O GLU A 6 11.557 73.276 70.135 1.00 33.21 O ATOM 97 CB GLU A 6 8.696 72.861 68.664 1.00 61.00 C ATOM 98 CG GLU A 6 8.649 71.356 68.458 1.00 62.14 C ATOM 99 CD GLU A 6 7.818 70.958 67.255 1.00 62.21 C ATOM 100 OE1 GLU A 6 8.183 71.349 66.125 1.00 54.32 O ATOM 101 OE2 GLU A 6 6.802 70.255 67.440 1.00 72.31 O ATOM 0 H GLU A 6 9.932 75.168 69.608 1.00 25.01 H new ATOM 0 HA GLU A 6 8.438 72.905 70.797 1.00 31.02 H new ATOM 0 HB2 GLU A 6 7.705 73.276 68.479 1.00 61.00 H new ATOM 0 HB3 GLU A 6 9.368 73.299 67.926 1.00 61.00 H new ATOM 0 HG2 GLU A 6 9.664 70.978 68.335 1.00 62.14 H new ATOM 0 HG3 GLU A 6 8.239 70.883 69.351 1.00 62.14 H new ATOM 108 N HIS A 7 10.504 71.434 70.886 1.00 41.31 N ATOM 109 CA HIS A 7 11.739 70.732 71.222 1.00 32.44 C ATOM 110 C HIS A 7 11.650 69.260 70.829 1.00 64.52 C ATOM 111 O HIS A 7 10.817 68.519 71.346 1.00 1.21 O ATOM 112 CB HIS A 7 12.030 70.856 72.718 1.00 13.03 C ATOM 113 CG HIS A 7 13.398 71.385 73.019 1.00 13.31 C ATOM 114 ND1 HIS A 7 14.324 70.691 73.770 1.00 71.41 N ATOM 115 CD2 HIS A 7 13.995 72.548 72.667 1.00 1.22 C ATOM 116 CE1 HIS A 7 15.432 71.406 73.866 1.00 33.02 C ATOM 117 NE2 HIS A 7 15.258 72.536 73.205 1.00 0.31 N ATOM 0 H HIS A 7 9.653 70.908 71.083 1.00 41.31 H new ATOM 0 HA HIS A 7 12.554 71.191 70.662 1.00 32.44 H new ATOM 0 HB2 HIS A 7 11.287 71.513 73.171 1.00 13.03 H new ATOM 0 HB3 HIS A 7 11.917 69.877 73.184 1.00 13.03 H new ATOM 0 HD2 HIS A 7 13.559 73.338 72.074 1.00 1.22 H new ATOM 0 HE1 HIS A 7 16.327 71.115 74.395 1.00 33.02 H new ATOM 0 HE2 HIS A 7 15.950 73.279 73.110 1.00 0.31 H new ATOM 125 N ALA A 8 12.516 68.847 69.909 1.00 4.21 N ATOM 126 CA ALA A 8 12.537 67.465 69.446 1.00 12.50 C ATOM 127 C ALA A 8 13.049 66.529 70.537 1.00 74.11 C ATOM 128 O ALA A 8 13.934 66.874 71.320 1.00 32.53 O ATOM 129 CB ALA A 8 13.394 67.338 68.196 1.00 64.43 C ATOM 0 H ALA A 8 13.212 69.450 69.470 1.00 4.21 H new ATOM 0 HA ALA A 8 11.515 67.175 69.203 1.00 12.50 H new ATOM 0 HB1 ALA A 8 13.400 66.300 67.863 1.00 64.43 H new ATOM 0 HB2 ALA A 8 12.984 67.970 67.408 1.00 64.43 H new ATOM 0 HB3 ALA A 8 14.413 67.653 68.420 1.00 64.43 H new ATOM 135 N PRO A 9 12.479 65.316 70.592 1.00 24.22 N ATOM 136 CA PRO A 9 12.862 64.306 71.583 1.00 11.34 C ATOM 137 C PRO A 9 14.258 63.746 71.332 1.00 62.44 C ATOM 138 O PRO A 9 14.738 63.737 70.198 1.00 42.25 O ATOM 139 CB PRO A 9 11.807 63.211 71.400 1.00 60.43 C ATOM 140 CG PRO A 9 11.342 63.366 69.993 1.00 32.13 C ATOM 141 CD PRO A 9 11.418 64.837 69.690 1.00 14.22 C ATOM 0 HA PRO A 9 12.898 64.719 72.591 1.00 11.34 H new ATOM 0 HB2 PRO A 9 12.230 62.221 71.571 1.00 60.43 H new ATOM 0 HB3 PRO A 9 10.984 63.332 72.105 1.00 60.43 H new ATOM 0 HG2 PRO A 9 11.970 62.794 69.310 1.00 32.13 H new ATOM 0 HG3 PRO A 9 10.324 62.996 69.876 1.00 32.13 H new ATOM 0 HD2 PRO A 9 11.666 65.020 68.645 1.00 14.22 H new ATOM 0 HD3 PRO A 9 10.469 65.337 69.884 1.00 14.22 H new ATOM 149 N SER A 10 14.905 63.282 72.395 1.00 73.10 N ATOM 150 CA SER A 10 16.248 62.724 72.289 1.00 54.34 C ATOM 151 C SER A 10 16.219 61.206 72.438 1.00 44.33 C ATOM 152 O SER A 10 15.458 60.664 73.239 1.00 13.12 O ATOM 153 CB SER A 10 17.162 63.335 73.353 1.00 55.22 C ATOM 154 OG SER A 10 18.230 64.053 72.759 1.00 34.24 O ATOM 0 H SER A 10 14.521 63.281 73.340 1.00 73.10 H new ATOM 0 HA SER A 10 16.639 62.967 71.301 1.00 54.34 H new ATOM 0 HB2 SER A 10 16.584 64.001 73.994 1.00 55.22 H new ATOM 0 HB3 SER A 10 17.561 62.546 73.991 1.00 55.22 H new ATOM 0 HG SER A 10 18.798 64.435 73.461 1.00 34.24 H new ATOM 160 N HIS A 11 17.056 60.525 71.661 1.00 24.52 N ATOM 161 CA HIS A 11 17.128 59.069 71.705 1.00 33.01 C ATOM 162 C HIS A 11 18.518 58.606 72.129 1.00 51.03 C ATOM 163 O HIS A 11 19.515 58.941 71.491 1.00 61.13 O ATOM 164 CB HIS A 11 16.775 58.479 70.340 1.00 14.24 C ATOM 165 CG HIS A 11 17.530 59.099 69.206 1.00 61.32 C ATOM 166 ND1 HIS A 11 18.356 58.380 68.368 1.00 34.32 N ATOM 167 CD2 HIS A 11 17.579 60.381 68.771 1.00 24.43 C ATOM 168 CE1 HIS A 11 18.881 59.192 67.468 1.00 73.23 C ATOM 169 NE2 HIS A 11 18.426 60.412 67.690 1.00 10.14 N ATOM 0 H HIS A 11 17.694 60.959 70.993 1.00 24.52 H new ATOM 0 HA HIS A 11 16.407 58.716 72.442 1.00 33.01 H new ATOM 0 HB2 HIS A 11 16.973 57.407 70.355 1.00 14.24 H new ATOM 0 HB3 HIS A 11 15.706 58.603 70.165 1.00 14.24 H new ATOM 0 HD2 HIS A 11 17.051 61.222 69.195 1.00 24.43 H new ATOM 0 HE1 HIS A 11 19.566 58.907 66.683 1.00 73.23 H new ATOM 0 HE2 HIS A 11 18.665 61.242 67.147 1.00 10.14 H new ATOM 177 N ALA A 12 18.576 57.835 73.210 1.00 73.42 N ATOM 178 CA ALA A 12 19.843 57.327 73.719 1.00 44.10 C ATOM 179 C ALA A 12 20.057 55.874 73.306 1.00 20.30 C ATOM 180 O ALA A 12 19.195 55.266 72.672 1.00 50.01 O ATOM 181 CB ALA A 12 19.898 57.460 75.233 1.00 33.53 C ATOM 0 H ALA A 12 17.759 57.549 73.750 1.00 73.42 H new ATOM 0 HA ALA A 12 20.645 57.924 73.285 1.00 44.10 H new ATOM 0 HB1 ALA A 12 20.851 57.076 75.598 1.00 33.53 H new ATOM 0 HB2 ALA A 12 19.800 58.510 75.510 1.00 33.53 H new ATOM 0 HB3 ALA A 12 19.083 56.890 75.678 1.00 33.53 H new ATOM 187 N ASN A 13 21.211 55.323 73.669 1.00 75.42 N ATOM 188 CA ASN A 13 21.537 53.942 73.335 1.00 43.53 C ATOM 189 C ASN A 13 20.689 52.970 74.149 1.00 71.45 C ATOM 190 O ASN A 13 20.461 53.177 75.342 1.00 43.34 O ATOM 191 CB ASN A 13 23.023 53.673 73.584 1.00 21.33 C ATOM 192 CG ASN A 13 23.744 53.210 72.333 1.00 41.53 C ATOM 193 OD1 ASN A 13 23.153 52.571 71.463 1.00 22.35 O ATOM 194 ND2 ASN A 13 25.030 53.530 72.239 1.00 23.43 N ATOM 0 H ASN A 13 21.936 55.812 74.194 1.00 75.42 H new ATOM 0 HA ASN A 13 21.319 53.789 72.278 1.00 43.53 H new ATOM 0 HB2 ASN A 13 23.496 54.581 73.958 1.00 21.33 H new ATOM 0 HB3 ASN A 13 23.127 52.916 74.361 1.00 21.33 H new ATOM 0 HD21 ASN A 13 25.568 53.244 71.421 1.00 23.43 H new ATOM 0 HD22 ASN A 13 25.479 54.061 72.985 1.00 23.43 H new ATOM 201 N LEU A 14 20.224 51.910 73.498 1.00 52.12 N ATOM 202 CA LEU A 14 19.402 50.905 74.161 1.00 12.14 C ATOM 203 C LEU A 14 18.118 51.524 74.706 1.00 62.11 C ATOM 204 O LEU A 14 17.720 51.256 75.839 1.00 12.32 O ATOM 205 CB LEU A 14 20.184 50.245 75.298 1.00 42.33 C ATOM 206 CG LEU A 14 20.942 48.966 74.937 1.00 73.32 C ATOM 207 CD1 LEU A 14 22.381 49.285 74.566 1.00 64.11 C ATOM 208 CD2 LEU A 14 20.894 47.975 76.091 1.00 23.44 C ATOM 0 H LEU A 14 20.402 51.724 72.511 1.00 52.12 H new ATOM 0 HA LEU A 14 19.135 50.148 73.424 1.00 12.14 H new ATOM 0 HB2 LEU A 14 20.899 50.969 75.689 1.00 42.33 H new ATOM 0 HB3 LEU A 14 19.489 50.016 76.105 1.00 42.33 H new ATOM 0 HG LEU A 14 20.458 48.511 74.073 1.00 73.32 H new ATOM 0 HD11 LEU A 14 22.904 48.363 74.312 1.00 64.11 H new ATOM 0 HD12 LEU A 14 22.395 49.958 73.709 1.00 64.11 H new ATOM 0 HD13 LEU A 14 22.877 49.763 75.411 1.00 64.11 H new ATOM 0 HD21 LEU A 14 21.438 47.071 75.817 1.00 23.44 H new ATOM 0 HD22 LEU A 14 21.353 48.421 76.973 1.00 23.44 H new ATOM 0 HD23 LEU A 14 19.857 47.722 76.310 1.00 23.44 H new ATOM 220 N ASP A 15 17.475 52.352 73.890 1.00 33.43 N ATOM 221 CA ASP A 15 16.234 53.007 74.288 1.00 52.42 C ATOM 222 C ASP A 15 15.065 52.520 73.438 1.00 24.43 C ATOM 223 O ASP A 15 13.949 52.361 73.931 1.00 72.54 O ATOM 224 CB ASP A 15 16.373 54.525 74.165 1.00 33.14 C ATOM 225 CG ASP A 15 16.599 55.196 75.506 1.00 50.00 C ATOM 226 OD1 ASP A 15 17.448 54.706 76.280 1.00 4.24 O ATOM 227 OD2 ASP A 15 15.928 56.212 75.781 1.00 44.31 O ATOM 0 H ASP A 15 17.792 52.586 72.949 1.00 33.43 H new ATOM 0 HA ASP A 15 16.034 52.751 75.328 1.00 52.42 H new ATOM 0 HB2 ASP A 15 17.205 54.758 73.500 1.00 33.14 H new ATOM 0 HB3 ASP A 15 15.473 54.933 73.705 1.00 33.14 H new ATOM 232 N VAL A 16 15.330 52.284 72.156 1.00 50.03 N ATOM 233 CA VAL A 16 14.300 51.815 71.237 1.00 14.53 C ATOM 234 C VAL A 16 14.872 50.823 70.230 1.00 42.35 C ATOM 235 O VAL A 16 16.001 50.978 69.762 1.00 13.22 O ATOM 236 CB VAL A 16 13.652 52.986 70.476 1.00 71.53 C ATOM 237 CG1 VAL A 16 12.886 53.887 71.434 1.00 45.14 C ATOM 238 CG2 VAL A 16 14.706 53.776 69.715 1.00 10.14 C ATOM 0 H VAL A 16 16.249 52.410 71.731 1.00 50.03 H new ATOM 0 HA VAL A 16 13.540 51.318 71.840 1.00 14.53 H new ATOM 0 HB VAL A 16 12.944 52.580 69.753 1.00 71.53 H new ATOM 0 HG11 VAL A 16 12.435 54.709 70.878 1.00 45.14 H new ATOM 0 HG12 VAL A 16 12.104 53.311 71.928 1.00 45.14 H new ATOM 0 HG13 VAL A 16 13.570 54.287 72.182 1.00 45.14 H new ATOM 0 HG21 VAL A 16 14.230 54.600 69.183 1.00 10.14 H new ATOM 0 HG22 VAL A 16 15.440 54.173 70.416 1.00 10.14 H new ATOM 0 HG23 VAL A 16 15.205 53.122 69.000 1.00 10.14 H new ATOM 248 N LYS A 17 14.087 49.804 69.900 1.00 25.32 N ATOM 249 CA LYS A 17 14.514 48.787 68.946 1.00 21.32 C ATOM 250 C LYS A 17 13.331 47.937 68.491 1.00 54.22 C ATOM 251 O LYS A 17 12.206 48.127 68.952 1.00 53.40 O ATOM 252 CB LYS A 17 15.588 47.894 69.568 1.00 12.51 C ATOM 253 CG LYS A 17 15.196 47.322 70.920 1.00 1.33 C ATOM 254 CD LYS A 17 16.370 47.314 71.884 1.00 3.44 C ATOM 255 CE LYS A 17 17.275 46.113 71.652 1.00 73.31 C ATOM 256 NZ LYS A 17 18.380 46.428 70.704 1.00 1.23 N ATOM 0 H LYS A 17 13.151 49.660 70.279 1.00 25.32 H new ATOM 0 HA LYS A 17 14.931 49.293 68.075 1.00 21.32 H new ATOM 0 HB2 LYS A 17 15.806 47.073 68.885 1.00 12.51 H new ATOM 0 HB3 LYS A 17 16.507 48.469 69.679 1.00 12.51 H new ATOM 0 HG2 LYS A 17 14.381 47.910 71.342 1.00 1.33 H new ATOM 0 HG3 LYS A 17 14.823 46.306 70.792 1.00 1.33 H new ATOM 0 HD2 LYS A 17 16.945 48.232 71.766 1.00 3.44 H new ATOM 0 HD3 LYS A 17 16.000 47.299 72.909 1.00 3.44 H new ATOM 0 HE2 LYS A 17 17.694 45.785 72.603 1.00 73.31 H new ATOM 0 HE3 LYS A 17 16.686 45.284 71.261 1.00 73.31 H new ATOM 0 HZ1 LYS A 17 18.994 45.595 70.598 1.00 1.23 H new ATOM 0 HZ2 LYS A 17 17.981 46.684 69.778 1.00 1.23 H new ATOM 0 HZ3 LYS A 17 18.938 47.225 71.073 1.00 1.23 H new ATOM 270 N TRP A 18 13.594 47.000 67.588 1.00 2.41 N ATOM 271 CA TRP A 18 12.552 46.119 67.074 1.00 61.32 C ATOM 272 C TRP A 18 11.791 45.453 68.215 1.00 23.04 C ATOM 273 O TRP A 18 12.104 45.659 69.388 1.00 42.23 O ATOM 274 CB TRP A 18 13.159 45.055 66.158 1.00 53.34 C ATOM 275 CG TRP A 18 14.296 45.567 65.326 1.00 23.31 C ATOM 276 CD1 TRP A 18 14.338 46.743 64.632 1.00 44.54 C ATOM 277 CD2 TRP A 18 15.551 44.918 65.098 1.00 31.21 C ATOM 278 NE1 TRP A 18 15.546 46.864 63.987 1.00 43.12 N ATOM 279 CE2 TRP A 18 16.308 45.758 64.257 1.00 31.11 C ATOM 280 CE3 TRP A 18 16.110 43.710 65.523 1.00 45.35 C ATOM 281 CZ2 TRP A 18 17.592 45.426 63.835 1.00 65.50 C ATOM 282 CZ3 TRP A 18 17.385 43.382 65.102 1.00 41.52 C ATOM 283 CH2 TRP A 18 18.115 44.237 64.267 1.00 63.35 C ATOM 0 H TRP A 18 14.520 46.830 67.196 1.00 2.41 H new ATOM 0 HA TRP A 18 11.851 46.724 66.499 1.00 61.32 H new ATOM 0 HB2 TRP A 18 13.509 44.220 66.765 1.00 53.34 H new ATOM 0 HB3 TRP A 18 12.382 44.667 65.499 1.00 53.34 H new ATOM 0 HD1 TRP A 18 13.540 47.470 64.595 1.00 44.54 H new ATOM 0 HE1 TRP A 18 15.829 47.650 63.402 1.00 43.12 H new ATOM 0 HE3 TRP A 18 15.556 43.045 66.169 1.00 45.35 H new ATOM 0 HZ2 TRP A 18 18.156 46.083 63.190 1.00 65.50 H new ATOM 0 HZ3 TRP A 18 17.826 42.450 65.423 1.00 41.52 H new ATOM 0 HH2 TRP A 18 19.110 43.953 63.958 1.00 63.35 H new ATOM 294 N LEU A 19 10.791 44.651 67.864 1.00 24.11 N ATOM 295 CA LEU A 19 9.986 43.953 68.860 1.00 31.22 C ATOM 296 C LEU A 19 10.756 42.781 69.459 1.00 11.34 C ATOM 297 O LEU A 19 11.477 42.074 68.755 1.00 65.20 O ATOM 298 CB LEU A 19 8.684 43.453 68.231 1.00 32.30 C ATOM 299 CG LEU A 19 7.426 44.258 68.563 1.00 41.43 C ATOM 300 CD1 LEU A 19 7.139 44.207 70.056 1.00 32.05 C ATOM 301 CD2 LEU A 19 7.576 45.698 68.096 1.00 54.33 C ATOM 0 H LEU A 19 10.519 44.468 66.898 1.00 24.11 H new ATOM 0 HA LEU A 19 9.751 44.656 69.659 1.00 31.22 H new ATOM 0 HB2 LEU A 19 8.808 43.441 67.148 1.00 32.30 H new ATOM 0 HB3 LEU A 19 8.525 42.422 68.545 1.00 32.30 H new ATOM 0 HG LEU A 19 6.582 43.812 68.036 1.00 41.43 H new ATOM 0 HD11 LEU A 19 6.241 44.785 70.274 1.00 32.05 H new ATOM 0 HD12 LEU A 19 6.988 43.172 70.362 1.00 32.05 H new ATOM 0 HD13 LEU A 19 7.983 44.628 70.603 1.00 32.05 H new ATOM 0 HD21 LEU A 19 6.672 46.256 68.340 1.00 54.33 H new ATOM 0 HD22 LEU A 19 8.430 46.155 68.595 1.00 54.33 H new ATOM 0 HD23 LEU A 19 7.733 45.716 67.018 1.00 54.33 H new ATOM 313 N ASP A 20 10.597 42.580 70.763 1.00 41.00 N ATOM 314 CA ASP A 20 11.276 41.491 71.457 1.00 60.15 C ATOM 315 C ASP A 20 12.784 41.718 71.480 1.00 0.21 C ATOM 316 O ASP A 20 13.563 40.817 71.170 1.00 61.54 O ATOM 317 CB ASP A 20 10.958 40.154 70.785 1.00 44.44 C ATOM 318 CG ASP A 20 9.468 39.906 70.664 1.00 61.24 C ATOM 319 OD1 ASP A 20 8.715 40.888 70.493 1.00 52.21 O ATOM 320 OD2 ASP A 20 9.054 38.731 70.739 1.00 3.51 O ATOM 0 H ASP A 20 10.004 43.156 71.360 1.00 41.00 H new ATOM 0 HA ASP A 20 10.915 41.467 72.485 1.00 60.15 H new ATOM 0 HB2 ASP A 20 11.408 40.134 69.793 1.00 44.44 H new ATOM 0 HB3 ASP A 20 11.412 39.346 71.358 1.00 44.44 H new ATOM 325 N GLY A 21 13.190 42.930 71.849 1.00 4.12 N ATOM 326 CA GLY A 21 14.604 43.253 71.904 1.00 75.21 C ATOM 327 C GLY A 21 14.955 44.115 73.101 1.00 12.11 C ATOM 328 O GLY A 21 16.059 44.024 73.639 1.00 31.25 O ATOM 0 H GLY A 21 12.565 43.693 72.110 1.00 4.12 H new ATOM 0 HA2 GLY A 21 15.183 42.330 71.942 1.00 75.21 H new ATOM 0 HA3 GLY A 21 14.891 43.772 70.989 1.00 75.21 H new ATOM 332 N LEU A 22 14.014 44.955 73.519 1.00 22.42 N ATOM 333 CA LEU A 22 14.230 45.839 74.659 1.00 43.11 C ATOM 334 C LEU A 22 14.299 45.044 75.959 1.00 54.03 C ATOM 335 O LEU A 22 13.378 44.299 76.292 1.00 22.31 O ATOM 336 CB LEU A 22 13.110 46.878 74.743 1.00 41.14 C ATOM 337 CG LEU A 22 13.250 48.089 73.820 1.00 74.44 C ATOM 338 CD1 LEU A 22 12.220 48.030 72.701 1.00 40.32 C ATOM 339 CD2 LEU A 22 13.105 49.382 74.610 1.00 53.44 C ATOM 0 H LEU A 22 13.095 45.042 73.086 1.00 22.42 H new ATOM 0 HA LEU A 22 15.182 46.350 74.516 1.00 43.11 H new ATOM 0 HB2 LEU A 22 12.165 46.383 74.520 1.00 41.14 H new ATOM 0 HB3 LEU A 22 13.048 47.235 75.771 1.00 41.14 H new ATOM 0 HG LEU A 22 14.244 48.067 73.374 1.00 74.44 H new ATOM 0 HD11 LEU A 22 12.335 48.900 72.054 1.00 40.32 H new ATOM 0 HD12 LEU A 22 12.369 47.122 72.117 1.00 40.32 H new ATOM 0 HD13 LEU A 22 11.218 48.026 73.129 1.00 40.32 H new ATOM 0 HD21 LEU A 22 13.207 50.233 73.937 1.00 53.44 H new ATOM 0 HD22 LEU A 22 12.124 49.411 75.084 1.00 53.44 H new ATOM 0 HD23 LEU A 22 13.880 49.430 75.375 1.00 53.44 H new ATOM 351 N ARG A 23 15.396 45.210 76.690 1.00 12.21 N ATOM 352 CA ARG A 23 15.585 44.508 77.954 1.00 61.32 C ATOM 353 C ARG A 23 15.169 45.386 79.131 1.00 45.30 C ATOM 354 O ARG A 23 14.292 45.020 79.912 1.00 2.31 O ATOM 355 CB ARG A 23 17.046 44.083 78.112 1.00 40.43 C ATOM 356 CG ARG A 23 17.389 42.797 77.378 1.00 54.41 C ATOM 357 CD ARG A 23 17.761 41.685 78.347 1.00 22.41 C ATOM 358 NE ARG A 23 16.676 40.722 78.518 1.00 50.03 N ATOM 359 CZ ARG A 23 15.720 40.848 79.430 1.00 1.15 C ATOM 360 NH1 ARG A 23 15.713 41.890 80.250 1.00 23.22 N ATOM 361 NH2 ARG A 23 14.766 39.929 79.524 1.00 53.01 N ATOM 0 H ARG A 23 16.167 45.824 76.429 1.00 12.21 H new ATOM 0 HA ARG A 23 14.954 43.619 77.945 1.00 61.32 H new ATOM 0 HB2 ARG A 23 17.690 44.883 77.746 1.00 40.43 H new ATOM 0 HB3 ARG A 23 17.266 43.956 79.172 1.00 40.43 H new ATOM 0 HG2 ARG A 23 16.538 42.484 76.773 1.00 54.41 H new ATOM 0 HG3 ARG A 23 18.218 42.977 76.694 1.00 54.41 H new ATOM 0 HD2 ARG A 23 18.649 41.169 77.983 1.00 22.41 H new ATOM 0 HD3 ARG A 23 18.017 42.118 79.314 1.00 22.41 H new ATOM 0 HE ARG A 23 16.652 39.909 77.903 1.00 50.03 H new ATOM 0 HH11 ARG A 23 16.444 42.598 80.181 1.00 23.22 H new ATOM 0 HH12 ARG A 23 14.977 41.983 80.950 1.00 23.22 H new ATOM 0 HH21 ARG A 23 14.768 39.126 78.895 1.00 53.01 H new ATOM 0 HH22 ARG A 23 14.032 40.026 80.225 1.00 53.01 H new ATOM 375 N ALA A 24 15.807 46.546 79.251 1.00 20.41 N ATOM 376 CA ALA A 24 15.502 47.477 80.331 1.00 3.13 C ATOM 377 C ALA A 24 14.964 48.795 79.784 1.00 62.31 C ATOM 378 O ALA A 24 14.065 49.399 80.367 1.00 52.25 O ATOM 379 CB ALA A 24 16.740 47.722 81.181 1.00 65.41 C ATOM 0 H ALA A 24 16.538 46.863 78.614 1.00 20.41 H new ATOM 0 HA ALA A 24 14.728 47.030 80.955 1.00 3.13 H new ATOM 0 HB1 ALA A 24 16.498 48.419 81.984 1.00 65.41 H new ATOM 0 HB2 ALA A 24 17.080 46.779 81.609 1.00 65.41 H new ATOM 0 HB3 ALA A 24 17.530 48.144 80.560 1.00 65.41 H new ATOM 385 N GLY A 25 15.520 49.235 78.659 1.00 15.23 N ATOM 386 CA GLY A 25 15.083 50.479 78.053 1.00 71.11 C ATOM 387 C GLY A 25 13.577 50.648 78.096 1.00 43.10 C ATOM 388 O GLY A 25 12.836 49.665 78.129 1.00 41.21 O ATOM 0 H GLY A 25 16.265 48.752 78.157 1.00 15.23 H new ATOM 0 HA2 GLY A 25 15.554 51.316 78.569 1.00 71.11 H new ATOM 0 HA3 GLY A 25 15.420 50.513 77.017 1.00 71.11 H new ATOM 392 N SER A 26 13.122 51.896 78.097 1.00 63.42 N ATOM 393 CA SER A 26 11.695 52.190 78.141 1.00 13.11 C ATOM 394 C SER A 26 11.024 51.454 79.298 1.00 5.34 C ATOM 395 O SER A 26 9.942 50.890 79.143 1.00 52.21 O ATOM 396 CB SER A 26 11.030 51.800 76.820 1.00 41.11 C ATOM 397 OG SER A 26 11.046 50.395 76.637 1.00 11.22 O ATOM 0 H SER A 26 13.721 52.721 78.068 1.00 63.42 H new ATOM 0 HA SER A 26 11.575 53.262 78.296 1.00 13.11 H new ATOM 0 HB2 SER A 26 10.001 52.160 76.807 1.00 41.11 H new ATOM 0 HB3 SER A 26 11.548 52.284 75.992 1.00 41.11 H new ATOM 0 HG SER A 26 11.345 49.961 77.463 1.00 11.22 H new ATOM 403 N MET A 27 11.678 51.464 80.455 1.00 30.34 N ATOM 404 CA MET A 27 11.145 50.798 81.638 1.00 51.51 C ATOM 405 C MET A 27 9.982 51.588 82.229 1.00 74.22 C ATOM 406 O MET A 27 9.029 51.010 82.752 1.00 50.42 O ATOM 407 CB MET A 27 12.243 50.622 82.689 1.00 61.12 C ATOM 408 CG MET A 27 12.871 51.932 83.136 1.00 42.11 C ATOM 409 SD MET A 27 14.369 52.334 82.216 1.00 65.12 S ATOM 410 CE MET A 27 13.833 53.785 81.313 1.00 52.50 C ATOM 0 H MET A 27 12.576 51.925 80.599 1.00 30.34 H new ATOM 0 HA MET A 27 10.779 49.816 81.337 1.00 51.51 H new ATOM 0 HB2 MET A 27 11.825 50.114 83.558 1.00 61.12 H new ATOM 0 HB3 MET A 27 13.021 49.975 82.285 1.00 61.12 H new ATOM 0 HG2 MET A 27 12.147 52.738 83.014 1.00 42.11 H new ATOM 0 HG3 MET A 27 13.107 51.874 84.199 1.00 42.11 H new ATOM 0 HE1 MET A 27 14.318 53.806 80.337 1.00 52.50 H new ATOM 0 HE2 MET A 27 12.752 53.752 81.181 1.00 52.50 H new ATOM 0 HE3 MET A 27 14.103 54.681 81.871 1.00 52.50 H new ATOM 420 N ALA A 28 10.066 52.911 82.142 1.00 55.23 N ATOM 421 CA ALA A 28 9.020 53.780 82.667 1.00 11.11 C ATOM 422 C ALA A 28 7.813 53.811 81.735 1.00 51.11 C ATOM 423 O ALA A 28 6.724 53.366 82.098 1.00 2.14 O ATOM 424 CB ALA A 28 9.560 55.186 82.883 1.00 34.50 C ATOM 0 H ALA A 28 10.848 53.405 81.713 1.00 55.23 H new ATOM 0 HA ALA A 28 8.695 53.377 83.626 1.00 11.11 H new ATOM 0 HB1 ALA A 28 8.768 55.824 83.275 1.00 34.50 H new ATOM 0 HB2 ALA A 28 10.385 55.153 83.594 1.00 34.50 H new ATOM 0 HB3 ALA A 28 9.914 55.589 81.934 1.00 34.50 H new ATOM 430 N LEU A 29 8.014 54.340 80.534 1.00 71.52 N ATOM 431 CA LEU A 29 6.942 54.431 79.548 1.00 15.43 C ATOM 432 C LEU A 29 7.051 53.309 78.521 1.00 32.33 C ATOM 433 O LEU A 29 8.019 52.549 78.519 1.00 33.14 O ATOM 434 CB LEU A 29 6.982 55.788 78.844 1.00 74.02 C ATOM 435 CG LEU A 29 6.499 56.984 79.665 1.00 60.24 C ATOM 436 CD1 LEU A 29 7.240 58.248 79.256 1.00 4.32 C ATOM 437 CD2 LEU A 29 4.997 57.169 79.505 1.00 61.24 C ATOM 0 H LEU A 29 8.909 54.713 80.219 1.00 71.52 H new ATOM 0 HA LEU A 29 5.991 54.329 80.071 1.00 15.43 H new ATOM 0 HB2 LEU A 29 8.007 55.980 78.527 1.00 74.02 H new ATOM 0 HB3 LEU A 29 6.376 55.724 77.940 1.00 74.02 H new ATOM 0 HG LEU A 29 6.711 56.788 80.716 1.00 60.24 H new ATOM 0 HD11 LEU A 29 6.882 59.088 79.851 1.00 4.32 H new ATOM 0 HD12 LEU A 29 8.309 58.114 79.423 1.00 4.32 H new ATOM 0 HD13 LEU A 29 7.061 58.449 78.200 1.00 4.32 H new ATOM 0 HD21 LEU A 29 4.671 58.025 80.096 1.00 61.24 H new ATOM 0 HD22 LEU A 29 4.762 57.343 78.455 1.00 61.24 H new ATOM 0 HD23 LEU A 29 4.481 56.272 79.849 1.00 61.24 H new ATOM 449 N GLN A 30 6.053 53.214 77.647 1.00 42.34 N ATOM 450 CA GLN A 30 6.039 52.186 76.614 1.00 0.33 C ATOM 451 C GLN A 30 6.861 52.618 75.404 1.00 14.31 C ATOM 452 O GLN A 30 6.432 53.461 74.618 1.00 21.14 O ATOM 453 CB GLN A 30 4.601 51.884 76.186 1.00 4.52 C ATOM 454 CG GLN A 30 4.009 50.659 76.865 1.00 50.32 C ATOM 455 CD GLN A 30 3.256 49.764 75.901 1.00 52.04 C ATOM 456 OE1 GLN A 30 3.780 48.750 75.438 1.00 74.31 O ATOM 457 NE2 GLN A 30 2.019 50.134 75.594 1.00 35.52 N ATOM 0 H GLN A 30 5.245 53.836 77.634 1.00 42.34 H new ATOM 0 HA GLN A 30 6.485 51.283 77.030 1.00 0.33 H new ATOM 0 HB2 GLN A 30 3.976 52.749 76.406 1.00 4.52 H new ATOM 0 HB3 GLN A 30 4.575 51.739 75.106 1.00 4.52 H new ATOM 0 HG2 GLN A 30 4.809 50.087 77.336 1.00 50.32 H new ATOM 0 HG3 GLN A 30 3.335 50.979 77.660 1.00 50.32 H new ATOM 0 HE21 GLN A 30 1.624 50.982 76.001 1.00 35.52 H new ATOM 0 HE22 GLN A 30 1.463 49.570 74.951 1.00 35.52 H new ATOM 466 N GLY A 31 8.048 52.035 75.263 1.00 52.31 N ATOM 467 CA GLY A 31 8.912 52.374 74.147 1.00 2.25 C ATOM 468 C GLY A 31 8.542 51.628 72.880 1.00 41.14 C ATOM 469 O GLY A 31 8.921 52.033 71.781 1.00 11.44 O ATOM 0 H GLY A 31 8.426 51.335 75.901 1.00 52.31 H new ATOM 0 HA2 GLY A 31 8.858 53.447 73.962 1.00 2.25 H new ATOM 0 HA3 GLY A 31 9.945 52.148 74.410 1.00 2.25 H new ATOM 473 N ASP A 32 7.802 50.536 73.033 1.00 15.03 N ATOM 474 CA ASP A 32 7.381 49.731 71.892 1.00 75.43 C ATOM 475 C ASP A 32 6.424 50.515 70.998 1.00 44.00 C ATOM 476 O ASP A 32 6.642 50.633 69.791 1.00 53.52 O ATOM 477 CB ASP A 32 6.710 48.442 72.369 1.00 74.31 C ATOM 478 CG ASP A 32 7.709 47.430 72.894 1.00 52.54 C ATOM 479 OD1 ASP A 32 8.894 47.513 72.510 1.00 63.04 O ATOM 480 OD2 ASP A 32 7.306 46.554 73.689 1.00 43.23 O ATOM 0 H ASP A 32 7.481 50.187 73.936 1.00 15.03 H new ATOM 0 HA ASP A 32 8.268 49.477 71.312 1.00 75.43 H new ATOM 0 HB2 ASP A 32 5.991 48.679 73.153 1.00 74.31 H new ATOM 0 HB3 ASP A 32 6.149 48.001 71.545 1.00 74.31 H new ATOM 485 N VAL A 33 5.365 51.048 71.597 1.00 1.00 N ATOM 486 CA VAL A 33 4.375 51.821 70.855 1.00 43.20 C ATOM 487 C VAL A 33 4.826 53.266 70.679 1.00 52.01 C ATOM 488 O VAL A 33 4.557 53.893 69.654 1.00 32.34 O ATOM 489 CB VAL A 33 3.006 51.804 71.560 1.00 52.12 C ATOM 490 CG1 VAL A 33 2.401 50.409 71.518 1.00 51.32 C ATOM 491 CG2 VAL A 33 3.140 52.293 72.995 1.00 20.34 C ATOM 0 H VAL A 33 5.170 50.959 72.594 1.00 1.00 H new ATOM 0 HA VAL A 33 4.277 51.352 69.876 1.00 43.20 H new ATOM 0 HB VAL A 33 2.335 52.481 71.030 1.00 52.12 H new ATOM 0 HG11 VAL A 33 1.434 50.416 72.021 1.00 51.32 H new ATOM 0 HG12 VAL A 33 2.268 50.101 70.481 1.00 51.32 H new ATOM 0 HG13 VAL A 33 3.067 49.708 72.022 1.00 51.32 H new ATOM 0 HG21 VAL A 33 2.163 52.275 73.478 1.00 20.34 H new ATOM 0 HG22 VAL A 33 3.826 51.643 73.538 1.00 20.34 H new ATOM 0 HG23 VAL A 33 3.527 53.312 72.998 1.00 20.34 H new ATOM 501 N LYS A 34 5.516 53.792 71.686 1.00 44.21 N ATOM 502 CA LYS A 34 6.007 55.164 71.643 1.00 54.43 C ATOM 503 C LYS A 34 6.720 55.446 70.324 1.00 41.53 C ATOM 504 O LYS A 34 6.689 56.568 69.818 1.00 61.05 O ATOM 505 CB LYS A 34 6.957 55.424 72.814 1.00 55.42 C ATOM 506 CG LYS A 34 7.766 56.701 72.670 1.00 42.14 C ATOM 507 CD LYS A 34 8.886 56.772 73.695 1.00 43.10 C ATOM 508 CE LYS A 34 10.167 57.321 73.084 1.00 11.43 C ATOM 509 NZ LYS A 34 11.151 56.240 72.796 1.00 20.04 N ATOM 0 H LYS A 34 5.748 53.288 72.542 1.00 44.21 H new ATOM 0 HA LYS A 34 5.150 55.833 71.723 1.00 54.43 H new ATOM 0 HB2 LYS A 34 6.378 55.473 73.736 1.00 55.42 H new ATOM 0 HB3 LYS A 34 7.640 54.580 72.911 1.00 55.42 H new ATOM 0 HG2 LYS A 34 8.187 56.755 71.666 1.00 42.14 H new ATOM 0 HG3 LYS A 34 7.110 57.563 72.787 1.00 42.14 H new ATOM 0 HD2 LYS A 34 8.579 57.404 74.528 1.00 43.10 H new ATOM 0 HD3 LYS A 34 9.072 55.778 74.101 1.00 43.10 H new ATOM 0 HE2 LYS A 34 9.931 57.853 72.162 1.00 11.43 H new ATOM 0 HE3 LYS A 34 10.613 58.046 73.765 1.00 11.43 H new ATOM 0 HZ1 LYS A 34 12.010 56.654 72.381 1.00 20.04 H new ATOM 0 HZ2 LYS A 34 11.396 55.749 73.679 1.00 20.04 H new ATOM 0 HZ3 LYS A 34 10.735 55.561 72.126 1.00 20.04 H new ATOM 523 N VAL A 35 7.360 54.421 69.772 1.00 51.51 N ATOM 524 CA VAL A 35 8.079 54.558 68.511 1.00 23.23 C ATOM 525 C VAL A 35 7.177 54.228 67.326 1.00 43.11 C ATOM 526 O VAL A 35 7.464 54.607 66.191 1.00 64.10 O ATOM 527 CB VAL A 35 9.318 53.645 68.469 1.00 23.32 C ATOM 528 CG1 VAL A 35 10.233 53.931 69.649 1.00 12.41 C ATOM 529 CG2 VAL A 35 8.902 52.182 68.449 1.00 25.14 C ATOM 0 H VAL A 35 7.395 53.486 70.178 1.00 51.51 H new ATOM 0 HA VAL A 35 8.401 55.597 68.441 1.00 23.23 H new ATOM 0 HB VAL A 35 9.870 53.854 67.553 1.00 23.32 H new ATOM 0 HG11 VAL A 35 11.103 53.276 69.602 1.00 12.41 H new ATOM 0 HG12 VAL A 35 10.559 54.970 69.613 1.00 12.41 H new ATOM 0 HG13 VAL A 35 9.694 53.752 70.579 1.00 12.41 H new ATOM 0 HG21 VAL A 35 9.791 51.551 68.419 1.00 25.14 H new ATOM 0 HG22 VAL A 35 8.326 51.955 69.346 1.00 25.14 H new ATOM 0 HG23 VAL A 35 8.291 51.990 67.567 1.00 25.14 H new ATOM 539 N TRP A 36 6.087 53.520 67.599 1.00 61.51 N ATOM 540 CA TRP A 36 5.142 53.138 66.555 1.00 63.15 C ATOM 541 C TRP A 36 4.822 54.325 65.652 1.00 41.10 C ATOM 542 O TRP A 36 5.029 54.268 64.440 1.00 0.53 O ATOM 543 CB TRP A 36 3.856 52.593 67.177 1.00 51.43 C ATOM 544 CG TRP A 36 2.994 51.851 66.202 1.00 13.32 C ATOM 545 CD1 TRP A 36 2.533 52.308 65.002 1.00 65.33 C ATOM 546 CD2 TRP A 36 2.487 50.519 66.347 1.00 75.04 C ATOM 547 NE1 TRP A 36 1.770 51.342 64.390 1.00 52.25 N ATOM 548 CE2 TRP A 36 1.727 50.235 65.196 1.00 33.01 C ATOM 549 CE3 TRP A 36 2.601 49.540 67.337 1.00 45.21 C ATOM 550 CZ2 TRP A 36 1.086 49.013 65.010 1.00 51.54 C ATOM 551 CZ3 TRP A 36 1.965 48.328 67.151 1.00 1.44 C ATOM 552 CH2 TRP A 36 1.216 48.072 65.995 1.00 72.01 C ATOM 0 H TRP A 36 5.835 53.199 68.534 1.00 61.51 H new ATOM 0 HA TRP A 36 5.602 52.357 65.949 1.00 63.15 H new ATOM 0 HB2 TRP A 36 4.113 51.929 68.003 1.00 51.43 H new ATOM 0 HB3 TRP A 36 3.286 53.421 67.599 1.00 51.43 H new ATOM 0 HD1 TRP A 36 2.738 53.286 64.593 1.00 65.33 H new ATOM 0 HE1 TRP A 36 1.311 51.434 63.484 1.00 52.25 H new ATOM 0 HE3 TRP A 36 3.176 49.727 68.232 1.00 45.21 H new ATOM 0 HZ2 TRP A 36 0.507 48.815 64.120 1.00 51.54 H new ATOM 0 HZ3 TRP A 36 2.047 47.564 67.910 1.00 1.44 H new ATOM 0 HH2 TRP A 36 0.732 47.114 65.879 1.00 72.01 H new ATOM 563 N MET A 37 4.315 55.398 66.249 1.00 51.02 N ATOM 564 CA MET A 37 3.968 56.598 65.497 1.00 73.31 C ATOM 565 C MET A 37 5.222 57.334 65.038 1.00 22.44 C ATOM 566 O MET A 37 5.240 57.935 63.964 1.00 2.13 O ATOM 567 CB MET A 37 3.101 57.527 66.350 1.00 4.11 C ATOM 568 CG MET A 37 3.881 58.277 67.416 1.00 41.44 C ATOM 569 SD MET A 37 4.171 57.284 68.894 1.00 64.11 S ATOM 570 CE MET A 37 2.499 56.778 69.293 1.00 44.40 C ATOM 0 H MET A 37 4.135 55.461 67.251 1.00 51.02 H new ATOM 0 HA MET A 37 3.404 56.293 64.615 1.00 73.31 H new ATOM 0 HB2 MET A 37 2.606 58.248 65.699 1.00 4.11 H new ATOM 0 HB3 MET A 37 2.318 56.940 66.830 1.00 4.11 H new ATOM 0 HG2 MET A 37 4.838 58.595 67.003 1.00 41.44 H new ATOM 0 HG3 MET A 37 3.336 59.180 67.691 1.00 41.44 H new ATOM 0 HE1 MET A 37 2.492 56.277 70.261 1.00 44.40 H new ATOM 0 HE2 MET A 37 1.853 57.655 69.334 1.00 44.40 H new ATOM 0 HE3 MET A 37 2.133 56.094 68.527 1.00 44.40 H new ATOM 580 N GLN A 38 6.267 57.282 65.857 1.00 44.03 N ATOM 581 CA GLN A 38 7.525 57.946 65.533 1.00 1.14 C ATOM 582 C GLN A 38 8.098 57.415 64.223 1.00 32.10 C ATOM 583 O GLN A 38 8.846 58.109 63.537 1.00 24.13 O ATOM 584 CB GLN A 38 8.536 57.746 66.663 1.00 40.44 C ATOM 585 CG GLN A 38 9.589 56.693 66.359 1.00 14.21 C ATOM 586 CD GLN A 38 10.803 57.266 65.654 1.00 14.45 C ATOM 587 OE1 GLN A 38 11.061 56.959 64.490 1.00 71.21 O ATOM 588 NE2 GLN A 38 11.555 58.104 66.358 1.00 1.10 N ATOM 0 H GLN A 38 6.268 56.788 66.749 1.00 44.03 H new ATOM 0 HA GLN A 38 7.326 59.011 65.417 1.00 1.14 H new ATOM 0 HB2 GLN A 38 9.032 58.695 66.868 1.00 40.44 H new ATOM 0 HB3 GLN A 38 8.003 57.463 67.570 1.00 40.44 H new ATOM 0 HG2 GLN A 38 9.904 56.221 67.290 1.00 14.21 H new ATOM 0 HG3 GLN A 38 9.148 55.913 65.738 1.00 14.21 H new ATOM 0 HE21 GLN A 38 11.303 58.330 67.320 1.00 1.10 H new ATOM 0 HE22 GLN A 38 12.385 58.522 65.937 1.00 1.10 H new ATOM 597 N ASN A 39 7.741 56.181 63.882 1.00 14.34 N ATOM 598 CA ASN A 39 8.220 55.557 62.655 1.00 44.55 C ATOM 599 C ASN A 39 7.386 56.000 61.457 1.00 32.12 C ATOM 600 O ASN A 39 7.924 56.340 60.403 1.00 73.41 O ATOM 601 CB ASN A 39 8.181 54.034 62.783 1.00 5.24 C ATOM 602 CG ASN A 39 9.526 53.394 62.493 1.00 21.34 C ATOM 603 OD1 ASN A 39 10.422 54.031 61.940 1.00 5.04 O ATOM 604 ND2 ASN A 39 9.671 52.127 62.867 1.00 71.43 N ATOM 0 H ASN A 39 7.121 55.593 64.439 1.00 14.34 H new ATOM 0 HA ASN A 39 9.250 55.875 62.495 1.00 44.55 H new ATOM 0 HB2 ASN A 39 7.863 53.765 63.790 1.00 5.24 H new ATOM 0 HB3 ASN A 39 7.436 53.633 62.096 1.00 5.24 H new ATOM 0 HD21 ASN A 39 10.553 51.643 62.698 1.00 71.43 H new ATOM 0 HD22 ASN A 39 8.900 51.638 63.323 1.00 71.43 H new ATOM 611 N LEU A 40 6.068 55.994 61.628 1.00 22.55 N ATOM 612 CA LEU A 40 5.157 56.396 60.561 1.00 12.25 C ATOM 613 C LEU A 40 5.195 57.906 60.352 1.00 42.35 C ATOM 614 O LEU A 40 4.808 58.406 59.297 1.00 0.12 O ATOM 615 CB LEU A 40 3.730 55.951 60.889 1.00 61.52 C ATOM 616 CG LEU A 40 3.584 54.960 62.043 1.00 44.32 C ATOM 617 CD1 LEU A 40 2.118 54.632 62.283 1.00 51.53 C ATOM 618 CD2 LEU A 40 4.377 53.691 61.761 1.00 52.25 C ATOM 0 H LEU A 40 5.607 55.716 62.494 1.00 22.55 H new ATOM 0 HA LEU A 40 5.480 55.912 59.639 1.00 12.25 H new ATOM 0 HB2 LEU A 40 3.139 56.837 61.121 1.00 61.52 H new ATOM 0 HB3 LEU A 40 3.296 55.503 59.995 1.00 61.52 H new ATOM 0 HG LEU A 40 3.985 55.422 62.945 1.00 44.32 H new ATOM 0 HD11 LEU A 40 2.034 53.925 63.108 1.00 51.53 H new ATOM 0 HD12 LEU A 40 1.577 55.545 62.531 1.00 51.53 H new ATOM 0 HD13 LEU A 40 1.692 54.191 61.382 1.00 51.53 H new ATOM 0 HD21 LEU A 40 4.261 52.997 62.594 1.00 52.25 H new ATOM 0 HD22 LEU A 40 4.007 53.226 60.847 1.00 52.25 H new ATOM 0 HD23 LEU A 40 5.431 53.940 61.640 1.00 52.25 H new ATOM 630 N GLU A 41 5.667 58.626 61.365 1.00 64.25 N ATOM 631 CA GLU A 41 5.758 60.080 61.290 1.00 72.22 C ATOM 632 C GLU A 41 6.688 60.510 60.159 1.00 24.34 C ATOM 633 O GLU A 41 6.407 61.470 59.441 1.00 63.41 O ATOM 634 CB GLU A 41 6.257 60.651 62.619 1.00 75.22 C ATOM 635 CG GLU A 41 5.685 62.020 62.947 1.00 23.31 C ATOM 636 CD GLU A 41 5.774 62.352 64.423 1.00 33.04 C ATOM 637 OE1 GLU A 41 4.835 62.001 65.168 1.00 31.15 O ATOM 638 OE2 GLU A 41 6.783 62.964 64.833 1.00 14.33 O ATOM 0 H GLU A 41 5.992 58.227 62.246 1.00 64.25 H new ATOM 0 HA GLU A 41 4.761 60.470 61.086 1.00 72.22 H new ATOM 0 HB2 GLU A 41 6.002 59.958 63.421 1.00 75.22 H new ATOM 0 HB3 GLU A 41 7.345 60.718 62.590 1.00 75.22 H new ATOM 0 HG2 GLU A 41 6.219 62.779 62.375 1.00 23.31 H new ATOM 0 HG3 GLU A 41 4.642 62.059 62.632 1.00 23.31 H new ATOM 645 N ASP A 42 7.796 59.793 60.007 1.00 51.02 N ATOM 646 CA ASP A 42 8.768 60.099 58.963 1.00 73.01 C ATOM 647 C ASP A 42 8.356 59.470 57.636 1.00 74.20 C ATOM 648 O ASP A 42 8.600 60.032 56.568 1.00 74.23 O ATOM 649 CB ASP A 42 10.156 59.603 59.368 1.00 53.30 C ATOM 650 CG ASP A 42 11.234 60.041 58.396 1.00 4.31 C ATOM 651 OD1 ASP A 42 11.248 61.232 58.024 1.00 62.55 O ATOM 652 OD2 ASP A 42 12.064 59.191 58.009 1.00 70.20 O ATOM 0 H ASP A 42 8.044 58.996 60.593 1.00 51.02 H new ATOM 0 HA ASP A 42 8.800 61.181 58.837 1.00 73.01 H new ATOM 0 HB2 ASP A 42 10.396 59.976 60.364 1.00 53.30 H new ATOM 0 HB3 ASP A 42 10.146 58.515 59.429 1.00 53.30 H new ATOM 657 N LEU A 43 7.731 58.300 57.711 1.00 0.44 N ATOM 658 CA LEU A 43 7.287 57.593 56.515 1.00 35.43 C ATOM 659 C LEU A 43 5.948 58.139 56.026 1.00 1.35 C ATOM 660 O LEU A 43 5.839 58.627 54.901 1.00 42.33 O ATOM 661 CB LEU A 43 7.165 56.094 56.799 1.00 54.24 C ATOM 662 CG LEU A 43 7.490 55.161 55.633 1.00 52.11 C ATOM 663 CD1 LEU A 43 6.660 55.526 54.412 1.00 3.22 C ATOM 664 CD2 LEU A 43 8.975 55.212 55.306 1.00 61.02 C ATOM 0 H LEU A 43 7.520 57.821 58.587 1.00 0.44 H new ATOM 0 HA LEU A 43 8.031 57.749 55.734 1.00 35.43 H new ATOM 0 HB2 LEU A 43 7.825 55.847 57.630 1.00 54.24 H new ATOM 0 HB3 LEU A 43 6.147 55.889 57.129 1.00 54.24 H new ATOM 0 HG LEU A 43 7.239 54.142 55.927 1.00 52.11 H new ATOM 0 HD11 LEU A 43 6.904 54.852 53.591 1.00 3.22 H new ATOM 0 HD12 LEU A 43 5.601 55.437 54.652 1.00 3.22 H new ATOM 0 HD13 LEU A 43 6.880 56.552 54.116 1.00 3.22 H new ATOM 0 HD21 LEU A 43 9.187 54.541 54.473 1.00 61.02 H new ATOM 0 HD22 LEU A 43 9.252 56.230 55.032 1.00 61.02 H new ATOM 0 HD23 LEU A 43 9.550 54.901 56.178 1.00 61.02 H new ATOM 676 N HIS A 44 4.933 58.053 56.879 1.00 74.44 N ATOM 677 CA HIS A 44 3.603 58.543 56.535 1.00 14.15 C ATOM 678 C HIS A 44 3.687 59.874 55.797 1.00 74.24 C ATOM 679 O HIS A 44 3.202 60.006 54.672 1.00 14.30 O ATOM 680 CB HIS A 44 2.751 58.698 57.796 1.00 25.22 C ATOM 681 CG HIS A 44 1.303 58.954 57.512 1.00 54.20 C ATOM 682 ND1 HIS A 44 0.677 60.147 57.810 1.00 22.13 N ATOM 683 CD2 HIS A 44 0.356 58.163 56.954 1.00 63.22 C ATOM 684 CE1 HIS A 44 -0.592 60.078 57.448 1.00 62.01 C ATOM 685 NE2 HIS A 44 -0.812 58.886 56.925 1.00 12.55 N ATOM 0 H HIS A 44 5.006 57.649 57.813 1.00 74.44 H new ATOM 0 HA HIS A 44 3.134 57.812 55.876 1.00 14.15 H new ATOM 0 HB2 HIS A 44 2.840 57.794 58.398 1.00 25.22 H new ATOM 0 HB3 HIS A 44 3.147 59.520 58.393 1.00 25.22 H new ATOM 0 HD2 HIS A 44 0.493 57.153 56.598 1.00 63.22 H new ATOM 0 HE1 HIS A 44 -1.325 60.863 57.561 1.00 62.01 H new ATOM 0 HE2 HIS A 44 -1.705 58.555 56.559 1.00 12.55 H new ATOM 693 N THR A 45 4.305 60.863 56.436 1.00 10.51 N ATOM 694 CA THR A 45 4.452 62.185 55.842 1.00 54.22 C ATOM 695 C THR A 45 4.828 62.086 54.368 1.00 35.33 C ATOM 696 O THR A 45 4.448 62.937 53.563 1.00 74.22 O ATOM 697 CB THR A 45 5.519 63.017 56.578 1.00 40.51 C ATOM 698 OG1 THR A 45 5.506 64.365 56.097 1.00 71.35 O ATOM 699 CG2 THR A 45 6.903 62.416 56.382 1.00 61.35 C ATOM 0 H THR A 45 4.712 60.772 57.367 1.00 10.51 H new ATOM 0 HA THR A 45 3.487 62.683 55.936 1.00 54.22 H new ATOM 0 HB THR A 45 5.284 63.010 57.642 1.00 40.51 H new ATOM 0 HG1 THR A 45 6.186 64.888 56.571 1.00 71.35 H new ATOM 0 HG21 THR A 45 7.640 63.020 56.911 1.00 61.35 H new ATOM 0 HG22 THR A 45 6.917 61.400 56.776 1.00 61.35 H new ATOM 0 HG23 THR A 45 7.144 62.397 55.319 1.00 61.35 H new ATOM 707 N ARG A 46 5.574 61.044 54.021 1.00 32.12 N ATOM 708 CA ARG A 46 6.002 60.834 52.643 1.00 34.42 C ATOM 709 C ARG A 46 5.081 59.848 51.931 1.00 15.15 C ATOM 710 O ARG A 46 4.370 60.212 50.993 1.00 41.21 O ATOM 711 CB ARG A 46 7.442 60.322 52.605 1.00 1.12 C ATOM 712 CG ARG A 46 8.417 61.289 51.955 1.00 70.14 C ATOM 713 CD ARG A 46 9.219 60.615 50.853 1.00 40.04 C ATOM 714 NE ARG A 46 10.555 60.235 51.304 1.00 51.12 N ATOM 715 CZ ARG A 46 11.595 61.062 51.304 1.00 32.53 C ATOM 716 NH1 ARG A 46 11.453 62.310 50.879 1.00 44.01 N ATOM 717 NH2 ARG A 46 12.779 60.642 51.730 1.00 63.20 N ATOM 0 H ARG A 46 5.895 60.331 54.675 1.00 32.12 H new ATOM 0 HA ARG A 46 5.951 61.791 52.124 1.00 34.42 H new ATOM 0 HB2 ARG A 46 7.772 60.117 53.623 1.00 1.12 H new ATOM 0 HB3 ARG A 46 7.468 59.376 52.065 1.00 1.12 H new ATOM 0 HG2 ARG A 46 7.870 62.136 51.542 1.00 70.14 H new ATOM 0 HG3 ARG A 46 9.096 61.685 52.710 1.00 70.14 H new ATOM 0 HD2 ARG A 46 8.687 59.729 50.508 1.00 40.04 H new ATOM 0 HD3 ARG A 46 9.302 61.289 50.001 1.00 40.04 H new ATOM 0 HE ARG A 46 10.698 59.282 51.638 1.00 51.12 H new ATOM 0 HH11 ARG A 46 10.544 62.637 50.551 1.00 44.01 H new ATOM 0 HH12 ARG A 46 12.253 62.943 50.880 1.00 44.01 H new ATOM 0 HH21 ARG A 46 12.892 59.683 52.058 1.00 63.20 H new ATOM 0 HH22 ARG A 46 13.576 61.278 51.729 1.00 63.20 H new ATOM 731 N ARG A 47 5.097 58.598 52.384 1.00 34.40 N ATOM 732 CA ARG A 47 4.265 57.559 51.790 1.00 60.44 C ATOM 733 C ARG A 47 3.389 56.893 52.848 1.00 61.24 C ATOM 734 O ARG A 47 3.877 56.281 53.797 1.00 12.23 O ATOM 735 CB ARG A 47 5.137 56.509 51.101 1.00 45.44 C ATOM 736 CG ARG A 47 4.342 55.413 50.413 1.00 3.34 C ATOM 737 CD ARG A 47 3.843 55.860 49.047 1.00 5.23 C ATOM 738 NE ARG A 47 2.902 54.904 48.469 1.00 4.33 N ATOM 739 CZ ARG A 47 1.993 55.228 47.556 1.00 34.23 C ATOM 740 NH1 ARG A 47 1.902 56.477 47.121 1.00 52.35 N ATOM 741 NH2 ARG A 47 1.172 54.302 47.078 1.00 22.11 N ATOM 0 H ARG A 47 5.677 58.281 53.161 1.00 34.40 H new ATOM 0 HA ARG A 47 3.618 58.027 51.048 1.00 60.44 H new ATOM 0 HB2 ARG A 47 5.771 57.002 50.365 1.00 45.44 H new ATOM 0 HB3 ARG A 47 5.799 56.057 51.840 1.00 45.44 H new ATOM 0 HG2 ARG A 47 4.965 54.526 50.301 1.00 3.34 H new ATOM 0 HG3 ARG A 47 3.494 55.131 51.037 1.00 3.34 H new ATOM 0 HD2 ARG A 47 3.361 56.833 49.138 1.00 5.23 H new ATOM 0 HD3 ARG A 47 4.691 55.986 48.374 1.00 5.23 H new ATOM 0 HE ARG A 47 2.945 53.935 48.784 1.00 4.33 H new ATOM 0 HH11 ARG A 47 2.531 57.192 47.487 1.00 52.35 H new ATOM 0 HH12 ARG A 47 1.203 56.723 46.420 1.00 52.35 H new ATOM 0 HH21 ARG A 47 1.238 53.340 47.411 1.00 22.11 H new ATOM 0 HH22 ARG A 47 0.474 54.552 46.377 1.00 22.11 H new ATOM 755 N PRO A 48 2.064 57.016 52.681 1.00 60.12 N ATOM 756 CA PRO A 48 1.092 56.433 53.611 1.00 11.01 C ATOM 757 C PRO A 48 1.059 54.910 53.537 1.00 23.51 C ATOM 758 O PRO A 48 1.000 54.230 54.560 1.00 55.35 O ATOM 759 CB PRO A 48 -0.242 57.021 53.144 1.00 0.35 C ATOM 760 CG PRO A 48 -0.033 57.338 51.703 1.00 11.41 C ATOM 761 CD PRO A 48 1.412 57.733 51.573 1.00 34.41 C ATOM 0 HA PRO A 48 1.334 56.661 54.649 1.00 11.01 H new ATOM 0 HB2 PRO A 48 -1.057 56.310 53.279 1.00 0.35 H new ATOM 0 HB3 PRO A 48 -0.501 57.914 53.712 1.00 0.35 H new ATOM 0 HG2 PRO A 48 -0.260 56.475 51.076 1.00 11.41 H new ATOM 0 HG3 PRO A 48 -0.689 58.147 51.382 1.00 11.41 H new ATOM 0 HD2 PRO A 48 1.823 57.439 50.607 1.00 34.41 H new ATOM 0 HD3 PRO A 48 1.543 58.812 51.660 1.00 34.41 H new ATOM 769 N ASP A 49 1.099 54.382 52.319 1.00 62.10 N ATOM 770 CA ASP A 49 1.075 52.939 52.111 1.00 24.21 C ATOM 771 C ASP A 49 2.304 52.280 52.730 1.00 20.41 C ATOM 772 O ASP A 49 2.265 51.112 53.116 1.00 62.23 O ATOM 773 CB ASP A 49 1.009 52.618 50.616 1.00 63.31 C ATOM 774 CG ASP A 49 0.665 51.166 50.350 1.00 73.51 C ATOM 775 OD1 ASP A 49 1.188 50.292 51.071 1.00 0.42 O ATOM 776 OD2 ASP A 49 -0.127 50.905 49.420 1.00 14.14 O ATOM 0 H ASP A 49 1.148 54.931 51.461 1.00 62.10 H new ATOM 0 HA ASP A 49 0.186 52.542 52.600 1.00 24.21 H new ATOM 0 HB2 ASP A 49 0.264 53.257 50.143 1.00 63.31 H new ATOM 0 HB3 ASP A 49 1.969 52.851 50.155 1.00 63.31 H new ATOM 781 N GLU A 50 3.392 53.038 52.821 1.00 1.33 N ATOM 782 CA GLU A 50 4.633 52.526 53.392 1.00 1.33 C ATOM 783 C GLU A 50 4.691 52.793 54.894 1.00 61.43 C ATOM 784 O GLU A 50 5.508 52.211 55.607 1.00 15.02 O ATOM 785 CB GLU A 50 5.840 53.164 52.701 1.00 55.24 C ATOM 786 CG GLU A 50 6.106 52.615 51.311 1.00 24.31 C ATOM 787 CD GLU A 50 6.890 51.317 51.336 1.00 0.33 C ATOM 788 OE1 GLU A 50 6.583 50.455 52.186 1.00 43.22 O ATOM 789 OE2 GLU A 50 7.809 51.162 50.505 1.00 74.32 O ATOM 0 H GLU A 50 3.440 54.007 52.507 1.00 1.33 H new ATOM 0 HA GLU A 50 4.660 51.448 53.231 1.00 1.33 H new ATOM 0 HB2 GLU A 50 5.682 54.240 52.633 1.00 55.24 H new ATOM 0 HB3 GLU A 50 6.725 53.010 53.319 1.00 55.24 H new ATOM 0 HG2 GLU A 50 5.157 52.452 50.801 1.00 24.31 H new ATOM 0 HG3 GLU A 50 6.656 53.356 50.731 1.00 24.31 H new ATOM 796 N PHE A 51 3.819 53.678 55.365 1.00 51.12 N ATOM 797 CA PHE A 51 3.773 54.024 56.781 1.00 32.32 C ATOM 798 C PHE A 51 3.871 52.775 57.651 1.00 4.11 C ATOM 799 O PHE A 51 4.477 52.795 58.723 1.00 71.45 O ATOM 800 CB PHE A 51 2.480 54.780 57.100 1.00 10.33 C ATOM 801 CG PHE A 51 1.426 53.921 57.737 1.00 72.24 C ATOM 802 CD1 PHE A 51 0.864 52.862 57.043 1.00 33.21 C ATOM 803 CD2 PHE A 51 0.996 54.173 59.030 1.00 60.23 C ATOM 804 CE1 PHE A 51 -0.107 52.069 57.627 1.00 71.53 C ATOM 805 CE2 PHE A 51 0.026 53.385 59.620 1.00 63.30 C ATOM 806 CZ PHE A 51 -0.527 52.332 58.917 1.00 21.35 C ATOM 0 H PHE A 51 3.135 54.168 54.788 1.00 51.12 H new ATOM 0 HA PHE A 51 4.627 54.665 57.000 1.00 32.32 H new ATOM 0 HB2 PHE A 51 2.710 55.613 57.765 1.00 10.33 H new ATOM 0 HB3 PHE A 51 2.082 55.208 56.180 1.00 10.33 H new ATOM 0 HD1 PHE A 51 1.188 52.653 56.034 1.00 33.21 H new ATOM 0 HD2 PHE A 51 1.424 54.996 59.584 1.00 60.23 H new ATOM 0 HE1 PHE A 51 -0.536 51.245 57.076 1.00 71.53 H new ATOM 0 HE2 PHE A 51 -0.299 53.592 60.629 1.00 63.30 H new ATOM 0 HZ PHE A 51 -1.286 51.715 59.375 1.00 21.35 H new ATOM 816 N THR A 52 3.272 51.685 57.180 1.00 50.43 N ATOM 817 CA THR A 52 3.291 50.425 57.914 1.00 72.14 C ATOM 818 C THR A 52 4.605 49.683 57.699 1.00 51.34 C ATOM 819 O THR A 52 5.031 48.898 58.546 1.00 20.40 O ATOM 820 CB THR A 52 2.124 49.513 57.493 1.00 44.10 C ATOM 821 OG1 THR A 52 2.477 48.140 57.701 1.00 61.01 O ATOM 822 CG2 THR A 52 1.765 49.734 56.031 1.00 50.30 C ATOM 0 H THR A 52 2.768 51.649 56.294 1.00 50.43 H new ATOM 0 HA THR A 52 3.186 50.673 58.970 1.00 72.14 H new ATOM 0 HB THR A 52 1.257 49.762 58.105 1.00 44.10 H new ATOM 0 HG1 THR A 52 1.730 47.566 57.433 1.00 61.01 H new ATOM 0 HG21 THR A 52 0.938 49.079 55.756 1.00 50.30 H new ATOM 0 HG22 THR A 52 1.470 50.773 55.882 1.00 50.30 H new ATOM 0 HG23 THR A 52 2.629 49.509 55.406 1.00 50.30 H new ATOM 830 N ALA A 53 5.245 49.938 56.563 1.00 20.53 N ATOM 831 CA ALA A 53 6.513 49.296 56.238 1.00 34.32 C ATOM 832 C ALA A 53 7.550 49.547 57.327 1.00 74.24 C ATOM 833 O ALA A 53 8.557 48.845 57.413 1.00 4.01 O ATOM 834 CB ALA A 53 7.026 49.790 54.894 1.00 33.21 C ATOM 0 H ALA A 53 4.906 50.585 55.851 1.00 20.53 H new ATOM 0 HA ALA A 53 6.342 48.221 56.176 1.00 34.32 H new ATOM 0 HB1 ALA A 53 7.973 49.302 54.664 1.00 33.21 H new ATOM 0 HB2 ALA A 53 6.298 49.553 54.118 1.00 33.21 H new ATOM 0 HB3 ALA A 53 7.174 50.869 54.935 1.00 33.21 H new ATOM 840 N ARG A 54 7.297 50.554 58.157 1.00 74.03 N ATOM 841 CA ARG A 54 8.209 50.900 59.240 1.00 5.50 C ATOM 842 C ARG A 54 8.078 49.914 60.398 1.00 73.32 C ATOM 843 O ARG A 54 8.994 49.139 60.676 1.00 23.22 O ATOM 844 CB ARG A 54 7.936 52.322 59.733 1.00 2.13 C ATOM 845 CG ARG A 54 8.630 53.395 58.911 1.00 5.13 C ATOM 846 CD ARG A 54 10.138 53.362 59.110 1.00 30.43 C ATOM 847 NE ARG A 54 10.859 53.475 57.845 1.00 15.30 N ATOM 848 CZ ARG A 54 12.127 53.113 57.688 1.00 43.14 C ATOM 849 NH1 ARG A 54 12.810 52.616 58.710 1.00 65.01 N ATOM 850 NH2 ARG A 54 12.715 53.246 56.506 1.00 64.32 N ATOM 0 H ARG A 54 6.467 51.145 58.100 1.00 74.03 H new ATOM 0 HA ARG A 54 9.227 50.847 58.854 1.00 5.50 H new ATOM 0 HB2 ARG A 54 6.861 52.503 59.718 1.00 2.13 H new ATOM 0 HB3 ARG A 54 8.258 52.406 60.771 1.00 2.13 H new ATOM 0 HG2 ARG A 54 8.398 53.253 57.855 1.00 5.13 H new ATOM 0 HG3 ARG A 54 8.246 54.376 59.193 1.00 5.13 H new ATOM 0 HD2 ARG A 54 10.435 54.177 59.770 1.00 30.43 H new ATOM 0 HD3 ARG A 54 10.418 52.432 59.605 1.00 30.43 H new ATOM 0 HE ARG A 54 10.362 53.852 57.038 1.00 15.30 H new ATOM 0 HH11 ARG A 54 12.362 52.511 59.620 1.00 65.01 H new ATOM 0 HH12 ARG A 54 13.784 52.339 58.586 1.00 65.01 H new ATOM 0 HH21 ARG A 54 12.193 53.627 55.717 1.00 64.32 H new ATOM 0 HH22 ARG A 54 13.689 52.968 56.387 1.00 64.32 H new ATOM 864 N LEU A 55 6.933 49.950 61.071 1.00 62.43 N ATOM 865 CA LEU A 55 6.680 49.062 62.199 1.00 13.34 C ATOM 866 C LEU A 55 6.330 47.656 61.719 1.00 62.34 C ATOM 867 O LEU A 55 6.395 46.695 62.483 1.00 1.41 O ATOM 868 CB LEU A 55 5.546 49.613 63.064 1.00 14.43 C ATOM 869 CG LEU A 55 4.146 49.553 62.454 1.00 34.21 C ATOM 870 CD1 LEU A 55 4.086 50.370 61.173 1.00 63.30 C ATOM 871 CD2 LEU A 55 3.741 48.110 62.189 1.00 30.51 C ATOM 0 H LEU A 55 6.165 50.585 60.854 1.00 62.43 H new ATOM 0 HA LEU A 55 7.591 49.007 62.796 1.00 13.34 H new ATOM 0 HB2 LEU A 55 5.534 49.063 64.005 1.00 14.43 H new ATOM 0 HB3 LEU A 55 5.771 50.652 63.304 1.00 14.43 H new ATOM 0 HG LEU A 55 3.441 49.982 63.167 1.00 34.21 H new ATOM 0 HD11 LEU A 55 3.082 50.315 60.753 1.00 63.30 H new ATOM 0 HD12 LEU A 55 4.331 51.409 61.392 1.00 63.30 H new ATOM 0 HD13 LEU A 55 4.802 49.972 60.454 1.00 63.30 H new ATOM 0 HD21 LEU A 55 2.742 48.087 61.755 1.00 30.51 H new ATOM 0 HD22 LEU A 55 4.449 47.655 61.496 1.00 30.51 H new ATOM 0 HD23 LEU A 55 3.742 47.554 63.126 1.00 30.51 H new ATOM 883 N GLN A 56 5.962 47.547 60.446 1.00 1.22 N ATOM 884 CA GLN A 56 5.604 46.259 59.863 1.00 72.44 C ATOM 885 C GLN A 56 6.696 45.225 60.116 1.00 71.10 C ATOM 886 O GLN A 56 6.410 44.044 60.314 1.00 24.22 O ATOM 887 CB GLN A 56 5.361 46.406 58.360 1.00 42.44 C ATOM 888 CG GLN A 56 5.420 45.088 57.603 1.00 43.23 C ATOM 889 CD GLN A 56 4.189 44.232 57.827 1.00 24.51 C ATOM 890 OE1 GLN A 56 4.218 43.273 58.598 1.00 72.10 O ATOM 891 NE2 GLN A 56 3.099 44.575 57.150 1.00 71.04 N ATOM 0 H GLN A 56 5.904 48.334 59.800 1.00 1.22 H new ATOM 0 HA GLN A 56 4.686 45.915 60.340 1.00 72.44 H new ATOM 0 HB2 GLN A 56 4.384 46.863 58.201 1.00 42.44 H new ATOM 0 HB3 GLN A 56 6.104 47.088 57.945 1.00 42.44 H new ATOM 0 HG2 GLN A 56 5.529 45.290 56.537 1.00 43.23 H new ATOM 0 HG3 GLN A 56 6.305 44.534 57.914 1.00 43.23 H new ATOM 0 HE21 GLN A 56 3.121 45.378 56.521 1.00 71.04 H new ATOM 0 HE22 GLN A 56 2.240 44.035 57.259 1.00 71.04 H new ATOM 900 N GLN A 57 7.946 45.676 60.108 1.00 30.31 N ATOM 901 CA GLN A 57 9.080 44.789 60.335 1.00 14.43 C ATOM 902 C GLN A 57 9.200 44.427 61.812 1.00 2.03 C ATOM 903 O GLN A 57 9.410 43.266 62.161 1.00 0.13 O ATOM 904 CB GLN A 57 10.373 45.446 59.853 1.00 64.35 C ATOM 905 CG GLN A 57 10.790 45.015 58.456 1.00 25.31 C ATOM 906 CD GLN A 57 12.093 44.239 58.447 1.00 73.14 C ATOM 907 OE1 GLN A 57 12.098 43.012 58.533 1.00 32.35 O ATOM 908 NE2 GLN A 57 13.206 44.954 58.344 1.00 41.34 N ATOM 0 H GLN A 57 8.199 46.651 59.947 1.00 30.31 H new ATOM 0 HA GLN A 57 8.913 43.874 59.767 1.00 14.43 H new ATOM 0 HB2 GLN A 57 10.248 46.529 59.868 1.00 64.35 H new ATOM 0 HB3 GLN A 57 11.174 45.208 60.552 1.00 64.35 H new ATOM 0 HG2 GLN A 57 10.003 44.400 58.020 1.00 25.31 H new ATOM 0 HG3 GLN A 57 10.893 45.897 57.824 1.00 25.31 H new ATOM 0 HE21 GLN A 57 13.155 45.970 58.275 1.00 41.34 H new ATOM 0 HE22 GLN A 57 14.113 44.487 58.334 1.00 41.34 H new ATOM 917 N SER A 58 9.065 45.428 62.675 1.00 73.24 N ATOM 918 CA SER A 58 9.163 45.216 64.114 1.00 32.42 C ATOM 919 C SER A 58 7.908 44.534 64.649 1.00 21.05 C ATOM 920 O SER A 58 7.964 43.413 65.156 1.00 11.33 O ATOM 921 CB SER A 58 9.378 46.549 64.835 1.00 31.44 C ATOM 922 OG SER A 58 8.421 47.511 64.424 1.00 23.03 O ATOM 0 H SER A 58 8.887 46.395 62.403 1.00 73.24 H new ATOM 0 HA SER A 58 10.018 44.567 64.303 1.00 32.42 H new ATOM 0 HB2 SER A 58 9.308 46.399 65.912 1.00 31.44 H new ATOM 0 HB3 SER A 58 10.382 46.920 64.629 1.00 31.44 H new ATOM 0 HG SER A 58 8.578 48.353 64.900 1.00 23.03 H new ATOM 928 N THR A 59 6.774 45.217 64.532 1.00 73.42 N ATOM 929 CA THR A 59 5.504 44.679 65.004 1.00 72.50 C ATOM 930 C THR A 59 5.355 43.210 64.624 1.00 33.32 C ATOM 931 O THR A 59 4.586 42.474 65.243 1.00 73.12 O ATOM 932 CB THR A 59 4.311 45.469 64.432 1.00 11.31 C ATOM 933 OG1 THR A 59 4.295 46.793 64.978 1.00 31.34 O ATOM 934 CG2 THR A 59 2.998 44.769 64.747 1.00 73.20 C ATOM 0 H THR A 59 6.709 46.145 64.114 1.00 73.42 H new ATOM 0 HA THR A 59 5.505 44.773 66.090 1.00 72.50 H new ATOM 0 HB THR A 59 4.424 45.524 63.349 1.00 11.31 H new ATOM 0 HG1 THR A 59 3.389 47.011 65.281 1.00 31.34 H new ATOM 0 HG21 THR A 59 2.170 45.345 64.333 1.00 73.20 H new ATOM 0 HG22 THR A 59 3.002 43.772 64.306 1.00 73.20 H new ATOM 0 HG23 THR A 59 2.879 44.688 65.827 1.00 73.20 H new ATOM 942 N ASP A 60 6.095 42.790 63.605 1.00 23.03 N ATOM 943 CA ASP A 60 6.046 41.407 63.144 1.00 22.11 C ATOM 944 C ASP A 60 6.270 40.440 64.301 1.00 14.54 C ATOM 945 O ASP A 60 5.613 39.403 64.393 1.00 1.12 O ATOM 946 CB ASP A 60 7.096 41.172 62.056 1.00 35.10 C ATOM 947 CG ASP A 60 6.495 40.605 60.785 1.00 60.32 C ATOM 948 OD1 ASP A 60 5.739 39.615 60.876 1.00 50.11 O ATOM 949 OD2 ASP A 60 6.782 41.151 59.698 1.00 33.35 O ATOM 0 H ASP A 60 6.736 43.387 63.082 1.00 23.03 H new ATOM 0 HA ASP A 60 5.055 41.224 62.728 1.00 22.11 H new ATOM 0 HB2 ASP A 60 7.597 42.113 61.829 1.00 35.10 H new ATOM 0 HB3 ASP A 60 7.857 40.488 62.431 1.00 35.10 H new ATOM 954 N ALA A 61 7.202 40.786 65.183 1.00 0.33 N ATOM 955 CA ALA A 61 7.512 39.949 66.335 1.00 51.22 C ATOM 956 C ALA A 61 6.333 39.883 67.299 1.00 14.22 C ATOM 957 O ALA A 61 6.014 38.820 67.835 1.00 21.33 O ATOM 958 CB ALA A 61 8.751 40.471 67.049 1.00 73.23 C ATOM 0 H ALA A 61 7.756 41.641 65.121 1.00 0.33 H new ATOM 0 HA ALA A 61 7.711 38.939 65.976 1.00 51.22 H new ATOM 0 HB1 ALA A 61 8.971 39.836 67.907 1.00 73.23 H new ATOM 0 HB2 ALA A 61 9.598 40.460 66.363 1.00 73.23 H new ATOM 0 HB3 ALA A 61 8.573 41.491 67.389 1.00 73.23 H new ATOM 964 N LEU A 62 5.687 41.023 67.516 1.00 52.51 N ATOM 965 CA LEU A 62 4.542 41.095 68.417 1.00 75.11 C ATOM 966 C LEU A 62 3.344 40.354 67.834 1.00 0.34 C ATOM 967 O LEU A 62 2.597 39.694 68.558 1.00 23.21 O ATOM 968 CB LEU A 62 4.171 42.554 68.688 1.00 24.33 C ATOM 969 CG LEU A 62 3.026 42.784 69.674 1.00 21.45 C ATOM 970 CD1 LEU A 62 3.493 42.542 71.101 1.00 4.25 C ATOM 971 CD2 LEU A 62 2.468 44.192 69.525 1.00 73.31 C ATOM 0 H LEU A 62 5.937 41.911 67.080 1.00 52.51 H new ATOM 0 HA LEU A 62 4.820 40.617 69.356 1.00 75.11 H new ATOM 0 HB2 LEU A 62 5.055 43.069 69.063 1.00 24.33 H new ATOM 0 HB3 LEU A 62 3.907 43.023 67.740 1.00 24.33 H new ATOM 0 HG LEU A 62 2.230 42.074 69.449 1.00 21.45 H new ATOM 0 HD11 LEU A 62 2.664 42.711 71.789 1.00 4.25 H new ATOM 0 HD12 LEU A 62 3.843 41.515 71.200 1.00 4.25 H new ATOM 0 HD13 LEU A 62 4.307 43.227 71.339 1.00 4.25 H new ATOM 0 HD21 LEU A 62 1.654 44.338 70.235 1.00 73.31 H new ATOM 0 HD22 LEU A 62 3.256 44.919 69.723 1.00 73.31 H new ATOM 0 HD23 LEU A 62 2.094 44.330 68.511 1.00 73.31 H new ATOM 983 N TYR A 63 3.167 40.464 66.522 1.00 53.13 N ATOM 984 CA TYR A 63 2.060 39.804 65.841 1.00 34.14 C ATOM 985 C TYR A 63 2.274 38.294 65.789 1.00 75.32 C ATOM 986 O TYR A 63 1.354 37.516 66.043 1.00 71.42 O ATOM 987 CB TYR A 63 1.902 40.357 64.424 1.00 23.41 C ATOM 988 CG TYR A 63 1.711 39.286 63.374 1.00 71.21 C ATOM 989 CD1 TYR A 63 2.798 38.606 62.841 1.00 63.13 C ATOM 990 CD2 TYR A 63 0.442 38.955 62.915 1.00 4.22 C ATOM 991 CE1 TYR A 63 2.629 37.627 61.881 1.00 62.42 C ATOM 992 CE2 TYR A 63 0.262 37.976 61.955 1.00 74.14 C ATOM 993 CZ TYR A 63 1.359 37.316 61.441 1.00 72.04 C ATOM 994 OH TYR A 63 1.184 36.342 60.486 1.00 33.43 O ATOM 0 H TYR A 63 3.777 41.005 65.909 1.00 53.13 H new ATOM 0 HA TYR A 63 1.149 40.004 66.405 1.00 34.14 H new ATOM 0 HB2 TYR A 63 1.048 41.034 64.400 1.00 23.41 H new ATOM 0 HB3 TYR A 63 2.783 40.947 64.173 1.00 23.41 H new ATOM 0 HD1 TYR A 63 3.794 38.847 63.183 1.00 63.13 H new ATOM 0 HD2 TYR A 63 -0.418 39.471 63.315 1.00 4.22 H new ATOM 0 HE1 TYR A 63 3.486 37.108 61.477 1.00 62.42 H new ATOM 0 HE2 TYR A 63 -0.731 37.730 61.610 1.00 74.14 H new ATOM 0 HH TYR A 63 0.229 36.245 60.289 1.00 33.43 H new ATOM 1004 N SER A 64 3.496 37.888 65.459 1.00 33.24 N ATOM 1005 CA SER A 64 3.832 36.471 65.371 1.00 71.22 C ATOM 1006 C SER A 64 3.941 35.851 66.760 1.00 1.04 C ATOM 1007 O SER A 64 3.342 34.810 67.037 1.00 60.41 O ATOM 1008 CB SER A 64 5.146 36.284 64.611 1.00 51.34 C ATOM 1009 OG SER A 64 5.004 35.335 63.569 1.00 31.03 O ATOM 0 H SER A 64 4.269 38.519 65.248 1.00 33.24 H new ATOM 0 HA SER A 64 3.032 35.966 64.829 1.00 71.22 H new ATOM 0 HB2 SER A 64 5.468 37.239 64.196 1.00 51.34 H new ATOM 0 HB3 SER A 64 5.925 35.957 65.300 1.00 51.34 H new ATOM 0 HG SER A 64 5.858 35.236 63.098 1.00 31.03 H new ATOM 1015 N HIS A 65 4.709 36.497 67.632 1.00 2.00 N ATOM 1016 CA HIS A 65 4.897 36.009 68.993 1.00 74.35 C ATOM 1017 C HIS A 65 3.566 35.579 69.604 1.00 43.55 C ATOM 1018 O HIS A 65 3.458 34.494 70.178 1.00 65.44 O ATOM 1019 CB HIS A 65 5.543 37.091 69.860 1.00 72.35 C ATOM 1020 CG HIS A 65 5.782 36.662 71.274 1.00 53.21 C ATOM 1021 ND1 HIS A 65 4.885 36.898 72.295 1.00 40.44 N ATOM 1022 CD2 HIS A 65 6.825 36.005 71.836 1.00 22.23 C ATOM 1023 CE1 HIS A 65 5.367 36.408 73.423 1.00 2.11 C ATOM 1024 NE2 HIS A 65 6.542 35.860 73.172 1.00 22.11 N ATOM 0 H HIS A 65 5.211 37.359 67.420 1.00 2.00 H new ATOM 0 HA HIS A 65 5.557 35.142 68.955 1.00 74.35 H new ATOM 0 HB2 HIS A 65 6.493 37.384 69.413 1.00 72.35 H new ATOM 0 HB3 HIS A 65 4.904 37.974 69.860 1.00 72.35 H new ATOM 0 HD2 HIS A 65 7.713 35.660 71.328 1.00 22.23 H new ATOM 0 HE1 HIS A 65 4.882 36.449 74.387 1.00 2.11 H new ATOM 0 HE2 HIS A 65 7.142 35.403 73.859 1.00 22.11 H new ATOM 1032 N LEU A 66 2.559 36.435 69.479 1.00 1.32 N ATOM 1033 CA LEU A 66 1.236 36.143 70.020 1.00 34.13 C ATOM 1034 C LEU A 66 0.619 34.932 69.326 1.00 23.12 C ATOM 1035 O LEU A 66 0.161 33.996 69.981 1.00 64.13 O ATOM 1036 CB LEU A 66 0.320 37.357 69.862 1.00 23.45 C ATOM 1037 CG LEU A 66 -1.046 37.261 70.543 1.00 62.11 C ATOM 1038 CD1 LEU A 66 -0.983 37.840 71.948 1.00 32.53 C ATOM 1039 CD2 LEU A 66 -2.106 37.974 69.717 1.00 33.31 C ATOM 0 H LEU A 66 2.633 37.337 69.008 1.00 1.32 H new ATOM 0 HA LEU A 66 1.346 35.914 71.080 1.00 34.13 H new ATOM 0 HB2 LEU A 66 0.839 38.232 70.255 1.00 23.45 H new ATOM 0 HB3 LEU A 66 0.162 37.531 68.798 1.00 23.45 H new ATOM 0 HG LEU A 66 -1.320 36.209 70.617 1.00 62.11 H new ATOM 0 HD11 LEU A 66 -1.964 37.763 72.417 1.00 32.53 H new ATOM 0 HD12 LEU A 66 -0.254 37.285 72.538 1.00 32.53 H new ATOM 0 HD13 LEU A 66 -0.686 38.888 71.897 1.00 32.53 H new ATOM 0 HD21 LEU A 66 -3.071 37.895 70.217 1.00 33.31 H new ATOM 0 HD22 LEU A 66 -1.838 39.025 69.610 1.00 33.31 H new ATOM 0 HD23 LEU A 66 -2.170 37.514 68.731 1.00 33.31 H new ATOM 1051 N GLU A 67 0.613 34.958 67.997 1.00 24.03 N ATOM 1052 CA GLU A 67 0.054 33.862 67.215 1.00 33.25 C ATOM 1053 C GLU A 67 0.889 32.595 67.378 1.00 41.14 C ATOM 1054 O GLU A 67 0.428 31.492 67.086 1.00 13.13 O ATOM 1055 CB GLU A 67 -0.024 34.248 65.736 1.00 2.50 C ATOM 1056 CG GLU A 67 -1.059 33.456 64.954 1.00 0.55 C ATOM 1057 CD GLU A 67 -0.449 32.675 63.806 1.00 22.02 C ATOM 1058 OE1 GLU A 67 -0.224 33.274 62.733 1.00 15.35 O ATOM 1059 OE2 GLU A 67 -0.197 31.464 63.981 1.00 22.54 O ATOM 0 H GLU A 67 0.989 35.725 67.440 1.00 24.03 H new ATOM 0 HA GLU A 67 -0.952 33.663 67.585 1.00 33.25 H new ATOM 0 HB2 GLU A 67 -0.257 35.310 65.658 1.00 2.50 H new ATOM 0 HB3 GLU A 67 0.955 34.102 65.279 1.00 2.50 H new ATOM 0 HG2 GLU A 67 -1.569 32.767 65.627 1.00 0.55 H new ATOM 0 HG3 GLU A 67 -1.815 34.138 64.564 1.00 0.55 H new ATOM 1066 N ALA A 68 2.122 32.763 67.846 1.00 54.12 N ATOM 1067 CA ALA A 68 3.021 31.634 68.050 1.00 41.11 C ATOM 1068 C ALA A 68 2.776 30.973 69.403 1.00 62.13 C ATOM 1069 O ALA A 68 2.437 29.792 69.473 1.00 5.30 O ATOM 1070 CB ALA A 68 4.470 32.087 67.938 1.00 71.42 C ATOM 0 H ALA A 68 2.520 33.670 68.091 1.00 54.12 H new ATOM 0 HA ALA A 68 2.820 30.897 67.273 1.00 41.11 H new ATOM 0 HB1 ALA A 68 5.131 31.234 68.092 1.00 71.42 H new ATOM 0 HB2 ALA A 68 4.645 32.507 66.947 1.00 71.42 H new ATOM 0 HB3 ALA A 68 4.674 32.845 68.694 1.00 71.42 H new ATOM 1076 N GLN A 69 2.949 31.743 70.472 1.00 3.35 N ATOM 1077 CA GLN A 69 2.746 31.230 71.822 1.00 45.25 C ATOM 1078 C GLN A 69 1.278 31.317 72.223 1.00 0.21 C ATOM 1079 O GLN A 69 0.655 30.308 72.553 1.00 34.23 O ATOM 1080 CB GLN A 69 3.608 32.008 72.820 1.00 20.24 C ATOM 1081 CG GLN A 69 4.256 31.129 73.877 1.00 55.23 C ATOM 1082 CD GLN A 69 5.282 31.876 74.707 1.00 13.14 C ATOM 1083 OE1 GLN A 69 6.380 32.173 74.237 1.00 64.42 O ATOM 1084 NE2 GLN A 69 4.928 32.184 75.950 1.00 1.43 N ATOM 0 H GLN A 69 3.229 32.723 70.430 1.00 3.35 H new ATOM 0 HA GLN A 69 3.044 30.182 71.834 1.00 45.25 H new ATOM 0 HB2 GLN A 69 4.387 32.542 72.276 1.00 20.24 H new ATOM 0 HB3 GLN A 69 2.991 32.759 73.312 1.00 20.24 H new ATOM 0 HG2 GLN A 69 3.484 30.728 74.534 1.00 55.23 H new ATOM 0 HG3 GLN A 69 4.735 30.278 73.393 1.00 55.23 H new ATOM 0 HE21 GLN A 69 4.007 31.918 76.299 1.00 1.43 H new ATOM 0 HE22 GLN A 69 5.577 32.686 76.556 1.00 1.43 H new ATOM 1093 N TRP A 70 0.733 32.527 72.193 1.00 53.34 N ATOM 1094 CA TRP A 70 -0.663 32.746 72.555 1.00 0.23 C ATOM 1095 C TRP A 70 -1.574 31.758 71.832 1.00 51.44 C ATOM 1096 O TRP A 70 -2.623 31.375 72.348 1.00 63.45 O ATOM 1097 CB TRP A 70 -1.079 34.179 72.223 1.00 32.11 C ATOM 1098 CG TRP A 70 -1.825 34.854 73.335 1.00 42.44 C ATOM 1099 CD1 TRP A 70 -1.285 35.499 74.411 1.00 63.02 C ATOM 1100 CD2 TRP A 70 -3.246 34.947 73.481 1.00 50.12 C ATOM 1101 NE1 TRP A 70 -2.285 35.989 75.216 1.00 41.21 N ATOM 1102 CE2 TRP A 70 -3.497 35.664 74.668 1.00 62.44 C ATOM 1103 CE3 TRP A 70 -4.331 34.498 72.724 1.00 22.12 C ATOM 1104 CZ2 TRP A 70 -4.788 35.938 75.113 1.00 44.30 C ATOM 1105 CZ3 TRP A 70 -5.611 34.770 73.167 1.00 41.31 C ATOM 1106 CH2 TRP A 70 -5.831 35.485 74.352 1.00 63.23 C ATOM 0 H TRP A 70 1.236 33.372 71.922 1.00 53.34 H new ATOM 0 HA TRP A 70 -0.763 32.586 73.629 1.00 0.23 H new ATOM 0 HB2 TRP A 70 -0.189 34.762 71.986 1.00 32.11 H new ATOM 0 HB3 TRP A 70 -1.703 34.171 71.329 1.00 32.11 H new ATOM 0 HD1 TRP A 70 -0.227 35.608 74.601 1.00 63.02 H new ATOM 0 HE1 TRP A 70 -2.147 36.510 76.082 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -4.172 33.948 71.808 1.00 22.12 H new ATOM 0 HZ2 TRP A 70 -4.960 36.488 76.026 1.00 44.30 H new ATOM 0 HZ3 TRP A 70 -6.457 34.426 72.590 1.00 41.31 H new ATOM 0 HH2 TRP A 70 -6.844 35.682 74.671 1.00 63.23 H new ATOM 1117 N ALA A 71 -1.164 31.350 70.635 1.00 53.45 N ATOM 1118 CA ALA A 71 -1.942 30.406 69.843 1.00 32.11 C ATOM 1119 C ALA A 71 -2.245 29.141 70.639 1.00 24.43 C ATOM 1120 O ALA A 71 -3.344 28.592 70.559 1.00 31.13 O ATOM 1121 CB ALA A 71 -1.203 30.061 68.558 1.00 15.43 C ATOM 0 H ALA A 71 -0.298 31.659 70.193 1.00 53.45 H new ATOM 0 HA ALA A 71 -2.891 30.878 69.587 1.00 32.11 H new ATOM 0 HB1 ALA A 71 -1.795 29.355 67.976 1.00 15.43 H new ATOM 0 HB2 ALA A 71 -1.044 30.968 67.975 1.00 15.43 H new ATOM 0 HB3 ALA A 71 -0.240 29.612 68.801 1.00 15.43 H new ATOM 1127 N LYS A 72 -1.262 28.680 71.406 1.00 24.21 N ATOM 1128 CA LYS A 72 -1.422 27.479 72.217 1.00 13.00 C ATOM 1129 C LYS A 72 -2.746 27.508 72.976 1.00 4.32 C ATOM 1130 O LYS A 72 -3.357 26.466 73.214 1.00 42.33 O ATOM 1131 CB LYS A 72 -0.260 27.346 73.202 1.00 53.33 C ATOM 1132 CG LYS A 72 0.990 26.736 72.590 1.00 54.03 C ATOM 1133 CD LYS A 72 0.828 25.243 72.365 1.00 25.11 C ATOM 1134 CE LYS A 72 0.563 24.926 70.901 1.00 22.24 C ATOM 1135 NZ LYS A 72 -0.299 23.723 70.741 1.00 33.12 N ATOM 0 H LYS A 72 -0.345 29.121 71.483 1.00 24.21 H new ATOM 0 HA LYS A 72 -1.425 26.617 71.550 1.00 13.00 H new ATOM 0 HB2 LYS A 72 -0.016 28.332 73.599 1.00 53.33 H new ATOM 0 HB3 LYS A 72 -0.578 26.733 74.045 1.00 53.33 H new ATOM 0 HG2 LYS A 72 1.208 27.226 71.641 1.00 54.03 H new ATOM 0 HG3 LYS A 72 1.842 26.916 73.245 1.00 54.03 H new ATOM 0 HD2 LYS A 72 1.729 24.725 72.693 1.00 25.11 H new ATOM 0 HD3 LYS A 72 0.005 24.869 72.974 1.00 25.11 H new ATOM 0 HE2 LYS A 72 0.084 25.782 70.425 1.00 22.24 H new ATOM 0 HE3 LYS A 72 1.511 24.765 70.387 1.00 22.24 H new ATOM 0 HZ1 LYS A 72 -0.456 23.541 69.729 1.00 33.12 H new ATOM 0 HZ2 LYS A 72 0.169 22.901 71.173 1.00 33.12 H new ATOM 0 HZ3 LYS A 72 -1.213 23.886 71.209 1.00 33.12 H new ATOM 1149 N GLN A 73 -3.182 28.706 73.350 1.00 40.11 N ATOM 1150 CA GLN A 73 -4.433 28.869 74.081 1.00 0.55 C ATOM 1151 C GLN A 73 -5.543 28.031 73.454 1.00 61.21 C ATOM 1152 O GLN A 73 -6.156 27.196 74.119 1.00 4.35 O ATOM 1153 CB GLN A 73 -4.844 30.342 74.110 1.00 32.32 C ATOM 1154 CG GLN A 73 -4.177 31.137 75.220 1.00 71.34 C ATOM 1155 CD GLN A 73 -4.902 31.011 76.545 1.00 63.31 C ATOM 1156 OE1 GLN A 73 -6.009 31.524 76.711 1.00 12.31 O ATOM 1157 NE2 GLN A 73 -4.279 30.327 77.498 1.00 73.41 N ATOM 0 H GLN A 73 -2.688 29.578 73.159 1.00 40.11 H new ATOM 0 HA GLN A 73 -4.275 28.524 75.103 1.00 0.55 H new ATOM 0 HB2 GLN A 73 -4.600 30.798 73.151 1.00 32.32 H new ATOM 0 HB3 GLN A 73 -5.926 30.407 74.227 1.00 32.32 H new ATOM 0 HG2 GLN A 73 -3.149 30.795 75.339 1.00 71.34 H new ATOM 0 HG3 GLN A 73 -4.133 32.188 74.933 1.00 71.34 H new ATOM 0 HE21 GLN A 73 -3.362 29.919 77.316 1.00 73.41 H new ATOM 0 HE22 GLN A 73 -4.718 30.210 78.411 1.00 73.41 H new ATOM 1166 N HIS A 74 -5.797 28.260 72.169 1.00 61.32 N ATOM 1167 CA HIS A 74 -6.833 27.527 71.451 1.00 35.11 C ATOM 1168 C HIS A 74 -6.330 27.074 70.084 1.00 55.15 C ATOM 1169 O HIS A 74 -6.437 25.901 69.729 1.00 13.30 O ATOM 1170 CB HIS A 74 -8.081 28.395 71.287 1.00 35.04 C ATOM 1171 CG HIS A 74 -8.976 28.390 72.489 1.00 13.23 C ATOM 1172 ND1 HIS A 74 -10.282 27.951 72.452 1.00 75.21 N ATOM 1173 CD2 HIS A 74 -8.744 28.773 73.766 1.00 74.02 C ATOM 1174 CE1 HIS A 74 -10.817 28.066 73.656 1.00 61.13 C ATOM 1175 NE2 HIS A 74 -9.904 28.562 74.471 1.00 75.10 N ATOM 0 H HIS A 74 -5.299 28.948 71.604 1.00 61.32 H new ATOM 0 HA HIS A 74 -7.089 26.643 72.035 1.00 35.11 H new ATOM 0 HB2 HIS A 74 -7.776 29.420 71.076 1.00 35.04 H new ATOM 0 HB3 HIS A 74 -8.645 28.046 70.422 1.00 35.04 H new ATOM 0 HD2 HIS A 74 -7.819 29.170 74.158 1.00 74.02 H new ATOM 0 HE1 HIS A 74 -11.828 27.800 73.927 1.00 61.13 H new ATOM 0 HE2 HIS A 74 -10.038 28.757 75.463 1.00 75.10 H new ATOM 1183 N GLY A 75 -5.782 28.013 69.320 1.00 60.43 N ATOM 1184 CA GLY A 75 -5.272 27.692 67.999 1.00 33.32 C ATOM 1185 C GLY A 75 -6.283 27.970 66.904 1.00 1.52 C ATOM 1186 O GLY A 75 -5.920 28.125 65.737 1.00 42.52 O ATOM 0 H GLY A 75 -5.682 28.991 69.592 1.00 60.43 H new ATOM 0 HA2 GLY A 75 -4.369 28.272 67.811 1.00 33.32 H new ATOM 0 HA3 GLY A 75 -4.988 26.640 67.968 1.00 33.32 H new ATOM 1190 N THR A 76 -7.557 28.029 67.278 1.00 60.43 N ATOM 1191 CA THR A 76 -8.624 28.287 66.319 1.00 12.55 C ATOM 1192 C THR A 76 -8.839 29.783 66.123 1.00 2.12 C ATOM 1193 O THR A 76 -8.825 30.295 65.004 1.00 31.31 O ATOM 1194 CB THR A 76 -9.950 27.643 66.767 1.00 14.32 C ATOM 1195 OG1 THR A 76 -10.930 28.659 67.009 1.00 43.41 O ATOM 1196 CG2 THR A 76 -9.750 26.814 68.027 1.00 62.31 C ATOM 0 H THR A 76 -7.875 27.902 68.239 1.00 60.43 H new ATOM 0 HA THR A 76 -8.313 27.841 65.374 1.00 12.55 H new ATOM 0 HB THR A 76 -10.297 26.986 65.970 1.00 14.32 H new ATOM 0 HG1 THR A 76 -11.473 28.411 67.786 1.00 43.41 H new ATOM 0 HG21 THR A 76 -10.700 26.369 68.324 1.00 62.31 H new ATOM 0 HG22 THR A 76 -9.025 26.024 67.832 1.00 62.31 H new ATOM 0 HG23 THR A 76 -9.382 27.454 68.829 1.00 62.31 H new ATOM 1204 N PRO A 77 -9.042 30.503 67.237 1.00 2.41 N ATOM 1205 CA PRO A 77 -9.262 31.952 67.214 1.00 23.40 C ATOM 1206 C PRO A 77 -8.004 32.723 66.825 1.00 34.14 C ATOM 1207 O PRO A 77 -8.067 33.825 66.279 1.00 2.41 O ATOM 1208 CB PRO A 77 -9.663 32.273 68.655 1.00 44.22 C ATOM 1209 CG PRO A 77 -9.049 31.188 69.470 1.00 2.20 C ATOM 1210 CD PRO A 77 -9.070 29.958 68.604 1.00 3.34 C ATOM 0 HA PRO A 77 -10.011 32.239 66.476 1.00 23.40 H new ATOM 0 HB2 PRO A 77 -9.295 33.253 68.959 1.00 44.22 H new ATOM 0 HB3 PRO A 77 -10.747 32.289 68.770 1.00 44.22 H new ATOM 0 HG2 PRO A 77 -8.030 31.445 69.758 1.00 2.20 H new ATOM 0 HG3 PRO A 77 -9.609 31.027 70.391 1.00 2.20 H new ATOM 0 HD2 PRO A 77 -8.211 29.315 68.798 1.00 3.34 H new ATOM 0 HD3 PRO A 77 -9.963 29.358 68.779 1.00 3.34 H new ATOM 1218 N PRO A 78 -6.835 32.133 67.113 1.00 21.34 N ATOM 1219 CA PRO A 78 -5.540 32.747 66.801 1.00 33.25 C ATOM 1220 C PRO A 78 -5.264 32.787 65.302 1.00 54.33 C ATOM 1221 O PRO A 78 -4.998 31.758 64.681 1.00 71.00 O ATOM 1222 CB PRO A 78 -4.536 31.832 67.506 1.00 51.45 C ATOM 1223 CG PRO A 78 -5.223 30.514 67.598 1.00 13.21 C ATOM 1224 CD PRO A 78 -6.686 30.820 67.764 1.00 64.30 C ATOM 0 HA PRO A 78 -5.492 33.786 67.126 1.00 33.25 H new ATOM 0 HB2 PRO A 78 -3.607 31.755 66.942 1.00 51.45 H new ATOM 0 HB3 PRO A 78 -4.279 32.214 68.494 1.00 51.45 H new ATOM 0 HG2 PRO A 78 -5.048 29.919 66.701 1.00 13.21 H new ATOM 0 HG3 PRO A 78 -4.847 29.936 68.442 1.00 13.21 H new ATOM 0 HD2 PRO A 78 -7.311 30.063 67.290 1.00 64.30 H new ATOM 0 HD3 PRO A 78 -6.972 30.858 68.815 1.00 64.30 H new ATOM 1232 N THR A 79 -5.328 33.984 64.726 1.00 24.52 N ATOM 1233 CA THR A 79 -5.084 34.158 63.299 1.00 31.43 C ATOM 1234 C THR A 79 -4.652 35.585 62.986 1.00 75.41 C ATOM 1235 O THR A 79 -4.950 36.514 63.737 1.00 2.45 O ATOM 1236 CB THR A 79 -6.338 33.820 62.470 1.00 43.30 C ATOM 1237 OG1 THR A 79 -6.852 32.541 62.859 1.00 35.23 O ATOM 1238 CG2 THR A 79 -6.017 33.812 60.983 1.00 23.14 C ATOM 0 H THR A 79 -5.546 34.846 65.225 1.00 24.52 H new ATOM 0 HA THR A 79 -4.282 33.471 63.029 1.00 31.43 H new ATOM 0 HB THR A 79 -7.090 34.586 62.659 1.00 43.30 H new ATOM 0 HG1 THR A 79 -7.650 32.334 62.329 1.00 35.23 H new ATOM 0 HG21 THR A 79 -6.917 33.571 60.418 1.00 23.14 H new ATOM 0 HG22 THR A 79 -5.653 34.795 60.684 1.00 23.14 H new ATOM 0 HG23 THR A 79 -5.250 33.064 60.780 1.00 23.14 H new ATOM 1246 N ALA A 80 -3.947 35.754 61.871 1.00 35.41 N ATOM 1247 CA ALA A 80 -3.476 37.071 61.458 1.00 30.55 C ATOM 1248 C ALA A 80 -4.563 38.125 61.641 1.00 52.43 C ATOM 1249 O ALA A 80 -4.285 39.249 62.060 1.00 12.51 O ATOM 1250 CB ALA A 80 -3.014 37.034 60.008 1.00 13.31 C ATOM 0 H ALA A 80 -3.690 34.996 61.239 1.00 35.41 H new ATOM 0 HA ALA A 80 -2.632 37.343 62.091 1.00 30.55 H new ATOM 0 HB1 ALA A 80 -2.665 38.023 59.712 1.00 13.31 H new ATOM 0 HB2 ALA A 80 -2.201 36.316 59.903 1.00 13.31 H new ATOM 0 HB3 ALA A 80 -3.845 36.736 59.369 1.00 13.31 H new ATOM 1256 N SER A 81 -5.800 37.756 61.325 1.00 23.02 N ATOM 1257 CA SER A 81 -6.927 38.673 61.451 1.00 33.01 C ATOM 1258 C SER A 81 -7.249 38.939 62.919 1.00 3.30 C ATOM 1259 O SER A 81 -7.632 40.048 63.291 1.00 20.44 O ATOM 1260 CB SER A 81 -8.157 38.102 60.742 1.00 41.35 C ATOM 1261 OG SER A 81 -7.936 37.993 59.347 1.00 10.34 O ATOM 0 H SER A 81 -6.047 36.829 60.980 1.00 23.02 H new ATOM 0 HA SER A 81 -6.651 39.617 60.981 1.00 33.01 H new ATOM 0 HB2 SER A 81 -8.395 37.121 61.153 1.00 41.35 H new ATOM 0 HB3 SER A 81 -9.018 38.743 60.928 1.00 41.35 H new ATOM 0 HG SER A 81 -8.736 37.624 58.917 1.00 10.34 H new ATOM 1267 N ASP A 82 -7.090 37.913 63.748 1.00 21.42 N ATOM 1268 CA ASP A 82 -7.363 38.034 65.175 1.00 11.03 C ATOM 1269 C ASP A 82 -6.229 38.769 65.884 1.00 13.43 C ATOM 1270 O ASP A 82 -6.435 39.831 66.471 1.00 12.43 O ATOM 1271 CB ASP A 82 -7.559 36.651 65.798 1.00 33.22 C ATOM 1272 CG ASP A 82 -9.022 36.270 65.915 1.00 75.23 C ATOM 1273 OD1 ASP A 82 -9.670 36.075 64.866 1.00 74.50 O ATOM 1274 OD2 ASP A 82 -9.519 36.169 67.056 1.00 2.41 O ATOM 0 H ASP A 82 -6.773 36.988 63.456 1.00 21.42 H new ATOM 0 HA ASP A 82 -8.279 38.612 65.297 1.00 11.03 H new ATOM 0 HB2 ASP A 82 -7.040 35.907 65.194 1.00 33.22 H new ATOM 0 HB3 ASP A 82 -7.102 36.633 66.787 1.00 33.22 H new ATOM 1279 N VAL A 83 -5.032 38.195 65.827 1.00 1.40 N ATOM 1280 CA VAL A 83 -3.865 38.794 66.464 1.00 10.31 C ATOM 1281 C VAL A 83 -3.846 40.305 66.263 1.00 54.13 C ATOM 1282 O VAL A 83 -3.239 41.039 67.044 1.00 14.15 O ATOM 1283 CB VAL A 83 -2.557 38.198 65.913 1.00 4.41 C ATOM 1284 CG1 VAL A 83 -1.372 39.079 66.280 1.00 23.22 C ATOM 1285 CG2 VAL A 83 -2.357 36.781 66.430 1.00 35.33 C ATOM 0 H VAL A 83 -4.845 37.315 65.346 1.00 1.40 H new ATOM 0 HA VAL A 83 -3.936 38.572 67.529 1.00 10.31 H new ATOM 0 HB VAL A 83 -2.627 38.158 64.826 1.00 4.41 H new ATOM 0 HG11 VAL A 83 -0.456 38.642 65.882 1.00 23.22 H new ATOM 0 HG12 VAL A 83 -1.513 40.073 65.857 1.00 23.22 H new ATOM 0 HG13 VAL A 83 -1.297 39.154 67.365 1.00 23.22 H new ATOM 0 HG21 VAL A 83 -1.428 36.376 66.030 1.00 35.33 H new ATOM 0 HG22 VAL A 83 -2.308 36.794 67.519 1.00 35.33 H new ATOM 0 HG23 VAL A 83 -3.192 36.156 66.112 1.00 35.33 H new ATOM 1295 N VAL A 84 -4.516 40.766 65.212 1.00 21.11 N ATOM 1296 CA VAL A 84 -4.578 42.191 64.909 1.00 20.42 C ATOM 1297 C VAL A 84 -5.064 42.988 66.114 1.00 64.31 C ATOM 1298 O VAL A 84 -4.408 43.932 66.553 1.00 45.42 O ATOM 1299 CB VAL A 84 -5.508 42.470 63.713 1.00 45.35 C ATOM 1300 CG1 VAL A 84 -5.739 43.965 63.555 1.00 73.30 C ATOM 1301 CG2 VAL A 84 -4.930 41.875 62.439 1.00 5.12 C ATOM 0 H VAL A 84 -5.024 40.173 64.556 1.00 21.11 H new ATOM 0 HA VAL A 84 -3.566 42.505 64.654 1.00 20.42 H new ATOM 0 HB VAL A 84 -6.470 41.995 63.904 1.00 45.35 H new ATOM 0 HG11 VAL A 84 -6.398 44.144 62.705 1.00 73.30 H new ATOM 0 HG12 VAL A 84 -6.199 44.360 64.461 1.00 73.30 H new ATOM 0 HG13 VAL A 84 -4.785 44.465 63.385 1.00 73.30 H new ATOM 0 HG21 VAL A 84 -5.600 42.082 61.604 1.00 5.12 H new ATOM 0 HG22 VAL A 84 -3.955 42.319 62.240 1.00 5.12 H new ATOM 0 HG23 VAL A 84 -4.820 40.797 62.558 1.00 5.12 H new ATOM 1311 N GLY A 85 -6.220 42.601 66.646 1.00 72.22 N ATOM 1312 CA GLY A 85 -6.774 43.291 67.796 1.00 11.13 C ATOM 1313 C GLY A 85 -7.077 42.350 68.945 1.00 31.41 C ATOM 1314 O GLY A 85 -7.627 42.763 69.966 1.00 71.10 O ATOM 0 H GLY A 85 -6.782 41.823 66.301 1.00 72.22 H new ATOM 0 HA2 GLY A 85 -6.072 44.054 68.131 1.00 11.13 H new ATOM 0 HA3 GLY A 85 -7.688 43.806 67.501 1.00 11.13 H new ATOM 1318 N MET A 86 -6.718 41.082 68.779 1.00 15.44 N ATOM 1319 CA MET A 86 -6.956 40.079 69.812 1.00 40.12 C ATOM 1320 C MET A 86 -6.056 40.320 71.020 1.00 70.24 C ATOM 1321 O MET A 86 -6.464 40.158 72.170 1.00 73.40 O ATOM 1322 CB MET A 86 -6.715 38.675 69.254 1.00 52.32 C ATOM 1323 CG MET A 86 -6.614 37.604 70.329 1.00 45.05 C ATOM 1324 SD MET A 86 -6.493 35.941 69.642 1.00 44.12 S ATOM 1325 CE MET A 86 -4.717 35.772 69.475 1.00 53.13 C ATOM 0 H MET A 86 -6.262 40.724 67.940 1.00 15.44 H new ATOM 0 HA MET A 86 -7.995 40.162 70.132 1.00 40.12 H new ATOM 0 HB2 MET A 86 -7.526 38.419 68.573 1.00 52.32 H new ATOM 0 HB3 MET A 86 -5.796 38.678 68.668 1.00 52.32 H new ATOM 0 HG2 MET A 86 -5.741 37.800 70.951 1.00 45.05 H new ATOM 0 HG3 MET A 86 -7.488 37.662 70.978 1.00 45.05 H new ATOM 0 HE1 MET A 86 -4.470 34.735 69.249 1.00 53.13 H new ATOM 0 HE2 MET A 86 -4.365 36.413 68.667 1.00 53.13 H new ATOM 0 HE3 MET A 86 -4.234 36.065 70.407 1.00 53.13 H new ATOM 1335 N PRO A 87 -4.802 40.716 70.756 1.00 61.51 N ATOM 1336 CA PRO A 87 -3.820 40.988 71.809 1.00 51.23 C ATOM 1337 C PRO A 87 -4.154 42.246 72.603 1.00 42.32 C ATOM 1338 O PRO A 87 -5.277 42.747 72.546 1.00 5.02 O ATOM 1339 CB PRO A 87 -2.513 41.176 71.035 1.00 45.12 C ATOM 1340 CG PRO A 87 -2.937 41.617 69.676 1.00 51.15 C ATOM 1341 CD PRO A 87 -4.247 40.930 69.409 1.00 72.31 C ATOM 0 HA PRO A 87 -3.783 40.187 72.548 1.00 51.23 H new ATOM 0 HB2 PRO A 87 -1.874 41.920 71.511 1.00 45.12 H new ATOM 0 HB3 PRO A 87 -1.943 40.248 70.990 1.00 45.12 H new ATOM 0 HG2 PRO A 87 -3.049 42.700 69.634 1.00 51.15 H new ATOM 0 HG3 PRO A 87 -2.193 41.344 68.927 1.00 51.15 H new ATOM 0 HD2 PRO A 87 -4.906 41.545 68.796 1.00 72.31 H new ATOM 0 HD3 PRO A 87 -4.106 39.988 68.878 1.00 72.31 H new ATOM 1349 N GLN A 88 -3.172 42.752 73.343 1.00 15.52 N ATOM 1350 CA GLN A 88 -3.364 43.951 74.150 1.00 1.12 C ATOM 1351 C GLN A 88 -3.197 45.208 73.303 1.00 45.11 C ATOM 1352 O GLN A 88 -4.092 46.051 73.243 1.00 60.23 O ATOM 1353 CB GLN A 88 -2.374 43.971 75.316 1.00 74.40 C ATOM 1354 CG GLN A 88 -1.099 43.189 75.045 1.00 60.41 C ATOM 1355 CD GLN A 88 -0.063 43.367 76.137 1.00 12.12 C ATOM 1356 OE1 GLN A 88 -0.375 43.824 77.237 1.00 12.33 O ATOM 1357 NE2 GLN A 88 1.180 43.006 75.839 1.00 32.11 N ATOM 0 H GLN A 88 -2.236 42.350 73.400 1.00 15.52 H new ATOM 0 HA GLN A 88 -4.379 43.934 74.546 1.00 1.12 H new ATOM 0 HB2 GLN A 88 -2.115 45.005 75.544 1.00 74.40 H new ATOM 0 HB3 GLN A 88 -2.860 43.562 76.202 1.00 74.40 H new ATOM 0 HG2 GLN A 88 -1.340 42.131 74.947 1.00 60.41 H new ATOM 0 HG3 GLN A 88 -0.676 43.509 74.093 1.00 60.41 H new ATOM 0 HE21 GLN A 88 1.395 42.632 74.915 1.00 32.11 H new ATOM 0 HE22 GLN A 88 1.920 43.103 76.534 1.00 32.11 H new ATOM 1366 N TRP A 89 -2.045 45.327 72.651 1.00 74.43 N ATOM 1367 CA TRP A 89 -1.761 46.483 71.808 1.00 13.14 C ATOM 1368 C TRP A 89 -2.977 46.856 70.967 1.00 41.53 C ATOM 1369 O TRP A 89 -3.070 47.972 70.457 1.00 44.20 O ATOM 1370 CB TRP A 89 -0.566 46.193 70.898 1.00 30.31 C ATOM 1371 CG TRP A 89 -0.639 44.854 70.230 1.00 5.14 C ATOM 1372 CD1 TRP A 89 -1.233 44.565 69.035 1.00 31.41 C ATOM 1373 CD2 TRP A 89 -0.099 43.622 70.720 1.00 21.34 C ATOM 1374 NE1 TRP A 89 -1.096 43.228 68.752 1.00 12.34 N ATOM 1375 CE2 TRP A 89 -0.403 42.626 69.770 1.00 71.25 C ATOM 1376 CE3 TRP A 89 0.612 43.262 71.868 1.00 71.10 C ATOM 1377 CZ2 TRP A 89 -0.021 41.299 69.936 1.00 24.35 C ATOM 1378 CZ3 TRP A 89 0.991 41.943 72.031 1.00 63.01 C ATOM 1379 CH2 TRP A 89 0.675 40.974 71.069 1.00 31.23 C ATOM 0 H TRP A 89 -1.294 44.638 72.690 1.00 74.43 H new ATOM 0 HA TRP A 89 -1.520 47.325 72.457 1.00 13.14 H new ATOM 0 HB2 TRP A 89 -0.503 46.969 70.135 1.00 30.31 H new ATOM 0 HB3 TRP A 89 0.351 46.248 71.485 1.00 30.31 H new ATOM 0 HD1 TRP A 89 -1.737 45.283 68.405 1.00 31.41 H new ATOM 0 HE1 TRP A 89 -1.452 42.759 67.919 1.00 12.34 H new ATOM 0 HE3 TRP A 89 0.861 44.002 72.615 1.00 71.10 H new ATOM 0 HZ2 TRP A 89 -0.265 40.551 69.196 1.00 24.35 H new ATOM 0 HZ3 TRP A 89 1.540 41.654 72.915 1.00 63.01 H new ATOM 0 HH2 TRP A 89 0.986 39.952 71.225 1.00 31.23 H new ATOM 1390 N GLN A 90 -3.906 45.915 70.828 1.00 74.11 N ATOM 1391 CA GLN A 90 -5.116 46.148 70.048 1.00 1.35 C ATOM 1392 C GLN A 90 -5.626 47.572 70.244 1.00 41.30 C ATOM 1393 O GLN A 90 -5.842 48.301 69.278 1.00 33.42 O ATOM 1394 CB GLN A 90 -6.202 45.145 70.443 1.00 73.24 C ATOM 1395 CG GLN A 90 -7.588 45.522 69.943 1.00 64.11 C ATOM 1396 CD GLN A 90 -8.623 45.539 71.049 1.00 14.10 C ATOM 1397 OE1 GLN A 90 -8.322 45.230 72.203 1.00 24.42 O ATOM 1398 NE2 GLN A 90 -9.853 45.903 70.703 1.00 54.32 N ATOM 0 H GLN A 90 -3.844 44.986 71.245 1.00 74.11 H new ATOM 0 HA GLN A 90 -4.871 46.013 68.995 1.00 1.35 H new ATOM 0 HB2 GLN A 90 -5.938 44.163 70.051 1.00 73.24 H new ATOM 0 HB3 GLN A 90 -6.228 45.058 71.529 1.00 73.24 H new ATOM 0 HG2 GLN A 90 -7.546 46.505 69.475 1.00 64.11 H new ATOM 0 HG3 GLN A 90 -7.897 44.815 69.173 1.00 64.11 H new ATOM 0 HE21 GLN A 90 -10.058 46.151 69.735 1.00 54.32 H new ATOM 0 HE22 GLN A 90 -10.592 45.935 71.405 1.00 54.32 H new ATOM 1407 N GLU A 91 -5.813 47.959 71.502 1.00 72.43 N ATOM 1408 CA GLU A 91 -6.299 49.296 71.824 1.00 62.23 C ATOM 1409 C GLU A 91 -5.161 50.312 71.784 1.00 71.11 C ATOM 1410 O GLU A 91 -5.253 51.339 71.109 1.00 3.54 O ATOM 1411 CB GLU A 91 -6.958 49.306 73.205 1.00 2.31 C ATOM 1412 CG GLU A 91 -8.366 48.736 73.211 1.00 71.12 C ATOM 1413 CD GLU A 91 -8.734 48.106 74.540 1.00 13.22 C ATOM 1414 OE1 GLU A 91 -8.293 48.626 75.586 1.00 14.43 O ATOM 1415 OE2 GLU A 91 -9.464 47.092 74.533 1.00 51.14 O ATOM 0 H GLU A 91 -5.636 47.367 72.313 1.00 72.43 H new ATOM 0 HA GLU A 91 -7.040 49.575 71.075 1.00 62.23 H new ATOM 0 HB2 GLU A 91 -6.340 48.734 73.897 1.00 2.31 H new ATOM 0 HB3 GLU A 91 -6.988 50.330 73.577 1.00 2.31 H new ATOM 0 HG2 GLU A 91 -9.076 49.530 72.980 1.00 71.12 H new ATOM 0 HG3 GLU A 91 -8.455 47.989 72.422 1.00 71.12 H new ATOM 1422 N TYR A 92 -4.089 50.020 72.513 1.00 21.54 N ATOM 1423 CA TYR A 92 -2.934 50.909 72.563 1.00 14.32 C ATOM 1424 C TYR A 92 -2.589 51.434 71.174 1.00 30.32 C ATOM 1425 O TYR A 92 -2.655 52.637 70.917 1.00 31.02 O ATOM 1426 CB TYR A 92 -1.729 50.178 73.158 1.00 64.32 C ATOM 1427 CG TYR A 92 -1.937 49.728 74.587 1.00 22.32 C ATOM 1428 CD1 TYR A 92 -2.635 48.561 74.872 1.00 34.14 C ATOM 1429 CD2 TYR A 92 -1.436 50.470 75.649 1.00 13.24 C ATOM 1430 CE1 TYR A 92 -2.828 48.146 76.176 1.00 34.51 C ATOM 1431 CE2 TYR A 92 -1.625 50.061 76.955 1.00 40.44 C ATOM 1432 CZ TYR A 92 -2.321 48.899 77.214 1.00 71.35 C ATOM 1433 OH TYR A 92 -2.511 48.489 78.514 1.00 62.44 O ATOM 0 H TYR A 92 -3.996 49.175 73.077 1.00 21.54 H new ATOM 0 HA TYR A 92 -3.188 51.758 73.199 1.00 14.32 H new ATOM 0 HB2 TYR A 92 -1.502 49.308 72.542 1.00 64.32 H new ATOM 0 HB3 TYR A 92 -0.860 50.834 73.116 1.00 64.32 H new ATOM 0 HD1 TYR A 92 -3.033 47.969 74.061 1.00 34.14 H new ATOM 0 HD2 TYR A 92 -0.890 51.381 75.451 1.00 13.24 H new ATOM 0 HE1 TYR A 92 -3.373 47.237 76.381 1.00 34.51 H new ATOM 0 HE2 TYR A 92 -1.229 50.649 77.770 1.00 40.44 H new ATOM 0 HH TYR A 92 -2.091 49.130 79.124 1.00 62.44 H new ATOM 1443 N THR A 93 -2.221 50.524 70.277 1.00 11.43 N ATOM 1444 CA THR A 93 -1.866 50.893 68.914 1.00 64.23 C ATOM 1445 C THR A 93 -2.836 51.926 68.353 1.00 32.24 C ATOM 1446 O THR A 93 -2.438 52.835 67.625 1.00 54.04 O ATOM 1447 CB THR A 93 -1.848 49.664 67.984 1.00 73.02 C ATOM 1448 OG1 THR A 93 -1.211 49.996 66.746 1.00 73.14 O ATOM 1449 CG2 THR A 93 -3.261 49.168 67.717 1.00 4.32 C ATOM 0 H THR A 93 -2.161 49.525 70.472 1.00 11.43 H new ATOM 0 HA THR A 93 -0.865 51.323 68.955 1.00 64.23 H new ATOM 0 HB THR A 93 -1.288 48.870 68.478 1.00 73.02 H new ATOM 0 HG1 THR A 93 -0.477 49.369 66.578 1.00 73.14 H new ATOM 0 HG21 THR A 93 -3.224 48.300 67.058 1.00 4.32 H new ATOM 0 HG22 THR A 93 -3.733 48.889 68.659 1.00 4.32 H new ATOM 0 HG23 THR A 93 -3.841 49.959 67.242 1.00 4.32 H new ATOM 1457 N ALA A 94 -4.112 51.780 68.696 1.00 42.02 N ATOM 1458 CA ALA A 94 -5.139 52.703 68.228 1.00 1.35 C ATOM 1459 C ALA A 94 -5.175 53.963 69.084 1.00 52.12 C ATOM 1460 O ALA A 94 -5.521 55.042 68.603 1.00 5.01 O ATOM 1461 CB ALA A 94 -6.500 52.022 68.230 1.00 15.52 C ATOM 0 H ALA A 94 -4.459 51.032 69.296 1.00 42.02 H new ATOM 0 HA ALA A 94 -4.893 52.996 67.207 1.00 1.35 H new ATOM 0 HB1 ALA A 94 -7.258 52.722 67.878 1.00 15.52 H new ATOM 0 HB2 ALA A 94 -6.474 51.154 67.571 1.00 15.52 H new ATOM 0 HB3 ALA A 94 -6.745 51.701 69.242 1.00 15.52 H new ATOM 1467 N MET A 95 -4.818 53.821 70.356 1.00 5.43 N ATOM 1468 CA MET A 95 -4.809 54.949 71.279 1.00 75.24 C ATOM 1469 C MET A 95 -3.793 56.001 70.842 1.00 34.04 C ATOM 1470 O MET A 95 -3.905 57.173 71.203 1.00 62.32 O ATOM 1471 CB MET A 95 -4.491 54.473 72.697 1.00 52.54 C ATOM 1472 CG MET A 95 -5.111 55.339 73.783 1.00 11.14 C ATOM 1473 SD MET A 95 -5.615 54.386 75.228 1.00 14.32 S ATOM 1474 CE MET A 95 -7.281 53.921 74.763 1.00 42.13 C ATOM 0 H MET A 95 -4.531 52.935 70.771 1.00 5.43 H new ATOM 0 HA MET A 95 -5.801 55.402 71.270 1.00 75.24 H new ATOM 0 HB2 MET A 95 -4.844 53.449 72.815 1.00 52.54 H new ATOM 0 HB3 MET A 95 -3.409 54.455 72.831 1.00 52.54 H new ATOM 0 HG2 MET A 95 -4.394 56.102 74.088 1.00 11.14 H new ATOM 0 HG3 MET A 95 -5.977 55.860 73.376 1.00 11.14 H new ATOM 0 HE1 MET A 95 -7.728 53.325 75.559 1.00 42.13 H new ATOM 0 HE2 MET A 95 -7.878 54.819 74.603 1.00 42.13 H new ATOM 0 HE3 MET A 95 -7.252 53.336 73.844 1.00 42.13 H new ATOM 1484 N LEU A 96 -2.804 55.573 70.066 1.00 63.42 N ATOM 1485 CA LEU A 96 -1.769 56.478 69.580 1.00 44.03 C ATOM 1486 C LEU A 96 -2.352 57.510 68.619 1.00 54.34 C ATOM 1487 O LEU A 96 -2.177 58.714 68.805 1.00 32.10 O ATOM 1488 CB LEU A 96 -0.658 55.689 68.884 1.00 21.24 C ATOM 1489 CG LEU A 96 -0.140 54.458 69.631 1.00 75.23 C ATOM 1490 CD1 LEU A 96 0.930 53.751 68.815 1.00 11.43 C ATOM 1491 CD2 LEU A 96 0.402 54.854 70.997 1.00 1.02 C ATOM 0 H LEU A 96 -2.697 54.606 69.760 1.00 63.42 H new ATOM 0 HA LEU A 96 -1.351 57.004 70.439 1.00 44.03 H new ATOM 0 HB2 LEU A 96 -1.023 55.370 67.908 1.00 21.24 H new ATOM 0 HB3 LEU A 96 0.181 56.361 68.706 1.00 21.24 H new ATOM 0 HG LEU A 96 -0.971 53.768 69.778 1.00 75.23 H new ATOM 0 HD11 LEU A 96 1.287 52.878 69.362 1.00 11.43 H new ATOM 0 HD12 LEU A 96 0.510 53.435 67.860 1.00 11.43 H new ATOM 0 HD13 LEU A 96 1.762 54.433 68.637 1.00 11.43 H new ATOM 0 HD21 LEU A 96 0.766 53.967 71.515 1.00 1.02 H new ATOM 0 HD22 LEU A 96 1.220 55.563 70.872 1.00 1.02 H new ATOM 0 HD23 LEU A 96 -0.392 55.316 71.584 1.00 1.02 H new ATOM 1503 N ARG A 97 -3.048 57.029 67.596 1.00 21.53 N ATOM 1504 CA ARG A 97 -3.659 57.909 66.607 1.00 34.12 C ATOM 1505 C ARG A 97 -4.941 58.534 67.153 1.00 44.43 C ATOM 1506 O ARG A 97 -5.231 59.702 66.895 1.00 21.24 O ATOM 1507 CB ARG A 97 -3.965 57.136 65.322 1.00 41.21 C ATOM 1508 CG ARG A 97 -4.688 55.821 65.561 1.00 4.33 C ATOM 1509 CD ARG A 97 -3.926 54.649 64.961 1.00 40.21 C ATOM 1510 NE ARG A 97 -4.151 54.528 63.523 1.00 72.12 N ATOM 1511 CZ ARG A 97 -3.720 53.504 62.795 1.00 14.13 C ATOM 1512 NH1 ARG A 97 -3.045 52.518 63.368 1.00 13.44 N ATOM 1513 NH2 ARG A 97 -3.966 53.466 61.492 1.00 44.32 N ATOM 0 H ARG A 97 -3.203 56.035 67.429 1.00 21.53 H new ATOM 0 HA ARG A 97 -2.951 58.707 66.383 1.00 34.12 H new ATOM 0 HB2 ARG A 97 -4.572 57.761 64.668 1.00 41.21 H new ATOM 0 HB3 ARG A 97 -3.031 56.937 64.796 1.00 41.21 H new ATOM 0 HG2 ARG A 97 -4.815 55.664 66.632 1.00 4.33 H new ATOM 0 HG3 ARG A 97 -5.686 55.869 65.125 1.00 4.33 H new ATOM 0 HD2 ARG A 97 -2.860 54.774 65.152 1.00 40.21 H new ATOM 0 HD3 ARG A 97 -4.232 53.727 65.455 1.00 40.21 H new ATOM 0 HE ARG A 97 -4.668 55.271 63.052 1.00 72.12 H new ATOM 0 HH11 ARG A 97 -2.856 52.544 64.370 1.00 13.44 H new ATOM 0 HH12 ARG A 97 -2.715 51.733 62.807 1.00 13.44 H new ATOM 0 HH21 ARG A 97 -4.486 54.223 61.049 1.00 44.32 H new ATOM 0 HH22 ARG A 97 -3.635 52.680 60.933 1.00 44.32 H new ATOM 1527 N GLU A 98 -5.701 57.747 67.908 1.00 70.51 N ATOM 1528 CA GLU A 98 -6.952 58.224 68.488 1.00 44.42 C ATOM 1529 C GLU A 98 -6.683 59.201 69.630 1.00 11.13 C ATOM 1530 O GLU A 98 -7.205 60.316 69.642 1.00 4.52 O ATOM 1531 CB GLU A 98 -7.785 57.046 68.995 1.00 55.43 C ATOM 1532 CG GLU A 98 -9.100 57.461 69.634 1.00 0.32 C ATOM 1533 CD GLU A 98 -9.762 56.330 70.396 1.00 13.21 C ATOM 1534 OE1 GLU A 98 -10.556 55.585 69.784 1.00 72.14 O ATOM 1535 OE2 GLU A 98 -9.484 56.188 71.606 1.00 61.12 O ATOM 0 H GLU A 98 -5.473 56.778 68.132 1.00 70.51 H new ATOM 0 HA GLU A 98 -7.510 58.746 67.710 1.00 44.42 H new ATOM 0 HB2 GLU A 98 -7.992 56.373 68.163 1.00 55.43 H new ATOM 0 HB3 GLU A 98 -7.199 56.484 69.722 1.00 55.43 H new ATOM 0 HG2 GLU A 98 -8.922 58.296 70.312 1.00 0.32 H new ATOM 0 HG3 GLU A 98 -9.779 57.818 68.860 1.00 0.32 H new ATOM 1542 N ARG A 99 -5.867 58.773 70.587 1.00 51.20 N ATOM 1543 CA ARG A 99 -5.531 59.608 71.735 1.00 25.52 C ATOM 1544 C ARG A 99 -4.198 60.318 71.518 1.00 71.42 C ATOM 1545 O ARG A 99 -3.539 60.728 72.474 1.00 21.43 O ATOM 1546 CB ARG A 99 -5.470 58.761 73.008 1.00 61.13 C ATOM 1547 CG ARG A 99 -5.933 59.500 74.253 1.00 34.31 C ATOM 1548 CD ARG A 99 -7.451 59.517 74.357 1.00 62.51 C ATOM 1549 NE ARG A 99 -7.957 58.409 75.161 1.00 50.41 N ATOM 1550 CZ ARG A 99 -7.976 58.413 76.489 1.00 43.12 C ATOM 1551 NH1 ARG A 99 -7.519 59.463 77.158 1.00 10.32 N ATOM 1552 NH2 ARG A 99 -8.452 57.366 77.151 1.00 73.51 N ATOM 0 H ARG A 99 -5.426 57.853 70.591 1.00 51.20 H new ATOM 0 HA ARG A 99 -6.311 60.362 71.846 1.00 25.52 H new ATOM 0 HB2 ARG A 99 -6.086 57.872 72.873 1.00 61.13 H new ATOM 0 HB3 ARG A 99 -4.446 58.419 73.158 1.00 61.13 H new ATOM 0 HG2 ARG A 99 -5.512 59.024 75.138 1.00 34.31 H new ATOM 0 HG3 ARG A 99 -5.557 60.523 74.232 1.00 34.31 H new ATOM 0 HD2 ARG A 99 -7.774 60.461 74.797 1.00 62.51 H new ATOM 0 HD3 ARG A 99 -7.883 59.467 73.358 1.00 62.51 H new ATOM 0 HE ARG A 99 -8.316 57.586 74.676 1.00 50.41 H new ATOM 0 HH11 ARG A 99 -7.152 60.269 76.653 1.00 10.32 H new ATOM 0 HH12 ARG A 99 -7.534 59.464 78.178 1.00 10.32 H new ATOM 0 HH21 ARG A 99 -8.804 56.556 76.640 1.00 73.51 H new ATOM 0 HH22 ARG A 99 -8.466 57.371 78.171 1.00 73.51 H new ATOM 1566 N PHE A 100 -3.808 60.459 70.256 1.00 43.14 N ATOM 1567 CA PHE A 100 -2.553 61.119 69.913 1.00 32.05 C ATOM 1568 C PHE A 100 -2.412 62.441 70.662 1.00 64.22 C ATOM 1569 O PHE A 100 -1.346 62.757 71.189 1.00 44.23 O ATOM 1570 CB PHE A 100 -2.476 61.363 68.405 1.00 2.13 C ATOM 1571 CG PHE A 100 -3.139 62.638 67.968 1.00 33.14 C ATOM 1572 CD1 PHE A 100 -4.520 62.721 67.886 1.00 24.50 C ATOM 1573 CD2 PHE A 100 -2.384 63.751 67.641 1.00 61.34 C ATOM 1574 CE1 PHE A 100 -5.135 63.893 67.485 1.00 65.33 C ATOM 1575 CE2 PHE A 100 -2.992 64.926 67.240 1.00 14.21 C ATOM 1576 CZ PHE A 100 -4.369 64.996 67.161 1.00 2.10 C ATOM 0 H PHE A 100 -4.342 60.125 69.454 1.00 43.14 H new ATOM 0 HA PHE A 100 -1.734 60.464 70.210 1.00 32.05 H new ATOM 0 HB2 PHE A 100 -1.429 61.385 68.102 1.00 2.13 H new ATOM 0 HB3 PHE A 100 -2.941 60.525 67.885 1.00 2.13 H new ATOM 0 HD1 PHE A 100 -5.123 61.861 68.138 1.00 24.50 H new ATOM 0 HD2 PHE A 100 -1.307 63.701 67.700 1.00 61.34 H new ATOM 0 HE1 PHE A 100 -6.212 63.946 67.425 1.00 65.33 H new ATOM 0 HE2 PHE A 100 -2.391 65.788 66.989 1.00 14.21 H new ATOM 0 HZ PHE A 100 -4.847 65.912 66.846 1.00 2.10 H new ATOM 1586 N ALA A 101 -3.495 63.210 70.702 1.00 4.51 N ATOM 1587 CA ALA A 101 -3.493 64.497 71.386 1.00 73.33 C ATOM 1588 C ALA A 101 -2.817 64.394 72.749 1.00 0.11 C ATOM 1589 O ALA A 101 -2.274 65.372 73.259 1.00 32.32 O ATOM 1590 CB ALA A 101 -4.916 65.016 71.538 1.00 43.45 C ATOM 0 H ALA A 101 -4.385 62.964 70.269 1.00 4.51 H new ATOM 0 HA ALA A 101 -2.923 65.202 70.780 1.00 73.33 H new ATOM 0 HB1 ALA A 101 -4.900 65.978 72.051 1.00 43.45 H new ATOM 0 HB2 ALA A 101 -5.366 65.137 70.553 1.00 43.45 H new ATOM 0 HB3 ALA A 101 -5.502 64.305 72.120 1.00 43.45 H new ATOM 1596 N GLY A 102 -2.855 63.200 73.334 1.00 45.42 N ATOM 1597 CA GLY A 102 -2.242 62.992 74.634 1.00 23.24 C ATOM 1598 C GLY A 102 -0.738 62.823 74.545 1.00 74.13 C ATOM 1599 O GLY A 102 0.011 63.490 75.260 1.00 40.31 O ATOM 0 H GLY A 102 -3.299 62.374 72.932 1.00 45.42 H new ATOM 0 HA2 GLY A 102 -2.472 63.839 75.280 1.00 23.24 H new ATOM 0 HA3 GLY A 102 -2.677 62.108 75.100 1.00 23.24 H new ATOM 1603 N LEU A 103 -0.295 61.930 73.669 1.00 24.13 N ATOM 1604 CA LEU A 103 1.130 61.674 73.490 1.00 43.14 C ATOM 1605 C LEU A 103 1.762 62.724 72.582 1.00 2.25 C ATOM 1606 O LEU A 103 2.864 62.532 72.067 1.00 3.13 O ATOM 1607 CB LEU A 103 1.349 60.278 72.905 1.00 14.25 C ATOM 1608 CG LEU A 103 0.579 59.959 71.623 1.00 73.43 C ATOM 1609 CD1 LEU A 103 1.439 60.238 70.400 1.00 43.54 C ATOM 1610 CD2 LEU A 103 0.109 58.512 71.628 1.00 42.30 C ATOM 0 H LEU A 103 -0.902 61.370 73.070 1.00 24.13 H new ATOM 0 HA LEU A 103 1.609 61.730 74.467 1.00 43.14 H new ATOM 0 HB2 LEU A 103 2.413 60.152 72.707 1.00 14.25 H new ATOM 0 HB3 LEU A 103 1.076 59.542 73.661 1.00 14.25 H new ATOM 0 HG LEU A 103 -0.298 60.604 71.580 1.00 73.43 H new ATOM 0 HD11 LEU A 103 0.874 60.005 69.497 1.00 43.54 H new ATOM 0 HD12 LEU A 103 1.724 61.290 70.388 1.00 43.54 H new ATOM 0 HD13 LEU A 103 2.336 59.619 70.437 1.00 43.54 H new ATOM 0 HD21 LEU A 103 -0.437 58.304 70.708 1.00 42.30 H new ATOM 0 HD22 LEU A 103 0.972 57.849 71.696 1.00 42.30 H new ATOM 0 HD23 LEU A 103 -0.545 58.345 72.484 1.00 42.30 H new ATOM 1622 N ASP A 104 1.058 63.834 72.390 1.00 41.43 N ATOM 1623 CA ASP A 104 1.552 64.916 71.545 1.00 53.51 C ATOM 1624 C ASP A 104 3.055 65.103 71.725 1.00 32.13 C ATOM 1625 O ASP A 104 3.781 65.351 70.762 1.00 60.34 O ATOM 1626 CB ASP A 104 0.820 66.219 71.872 1.00 44.23 C ATOM 1627 CG ASP A 104 -0.253 66.551 70.854 1.00 22.13 C ATOM 1628 OD1 ASP A 104 -0.671 65.637 70.112 1.00 52.43 O ATOM 1629 OD2 ASP A 104 -0.677 67.724 70.800 1.00 41.31 O ATOM 0 H ASP A 104 0.144 64.009 72.808 1.00 41.43 H new ATOM 0 HA ASP A 104 1.360 64.650 70.505 1.00 53.51 H new ATOM 0 HB2 ASP A 104 0.367 66.140 72.860 1.00 44.23 H new ATOM 0 HB3 ASP A 104 1.540 67.036 71.916 1.00 44.23 H new ATOM 1634 N THR A 105 3.517 64.982 72.966 1.00 45.04 N ATOM 1635 CA THR A 105 4.934 65.140 73.273 1.00 72.43 C ATOM 1636 C THR A 105 5.804 64.514 72.190 1.00 24.53 C ATOM 1637 O THR A 105 6.761 65.127 71.717 1.00 70.23 O ATOM 1638 CB THR A 105 5.288 64.507 74.631 1.00 1.04 C ATOM 1639 OG1 THR A 105 4.661 63.225 74.753 1.00 23.51 O ATOM 1640 CG2 THR A 105 4.847 65.403 75.778 1.00 4.42 C ATOM 0 H THR A 105 2.931 64.775 73.775 1.00 45.04 H new ATOM 0 HA THR A 105 5.130 66.211 73.318 1.00 72.43 H new ATOM 0 HB THR A 105 6.370 64.388 74.679 1.00 1.04 H new ATOM 0 HG1 THR A 105 4.893 62.829 75.619 1.00 23.51 H new ATOM 0 HG21 THR A 105 5.108 64.934 76.727 1.00 4.42 H new ATOM 0 HG22 THR A 105 5.348 66.368 75.700 1.00 4.42 H new ATOM 0 HG23 THR A 105 3.768 65.550 75.731 1.00 4.42 H new ATOM 1648 N ILE A 106 5.465 63.289 71.799 1.00 75.45 N ATOM 1649 CA ILE A 106 6.216 62.581 70.770 1.00 32.31 C ATOM 1650 C ILE A 106 5.295 61.712 69.918 1.00 54.32 C ATOM 1651 O ILE A 106 4.398 61.047 70.437 1.00 23.25 O ATOM 1652 CB ILE A 106 7.315 61.695 71.384 1.00 60.03 C ATOM 1653 CG1 ILE A 106 6.735 60.344 71.808 1.00 65.00 C ATOM 1654 CG2 ILE A 106 7.959 62.397 72.570 1.00 54.11 C ATOM 1655 CD1 ILE A 106 5.663 60.452 72.869 1.00 71.04 C ATOM 0 H ILE A 106 4.675 62.767 72.180 1.00 75.45 H new ATOM 0 HA ILE A 106 6.682 63.340 70.141 1.00 32.31 H new ATOM 0 HB ILE A 106 8.082 61.518 70.630 1.00 60.03 H new ATOM 0 HG12 ILE A 106 6.319 59.846 70.932 1.00 65.00 H new ATOM 0 HG13 ILE A 106 7.541 59.713 72.181 1.00 65.00 H new ATOM 0 HG21 ILE A 106 8.734 61.758 72.994 1.00 54.11 H new ATOM 0 HG22 ILE A 106 8.403 63.336 72.240 1.00 54.11 H new ATOM 0 HG23 ILE A 106 7.202 62.600 73.327 1.00 54.11 H new ATOM 0 HD11 ILE A 106 5.298 59.456 73.120 1.00 71.04 H new ATOM 0 HD12 ILE A 106 6.079 60.921 73.760 1.00 71.04 H new ATOM 0 HD13 ILE A 106 4.838 61.056 72.492 1.00 71.04 H new TER 1667 ILE A 106