USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 LYS NZ :NH3+ 151:sc= 1.12 (180deg=0.399) USER MOD Set 1.2: A 52 HIS : no HD1:sc= -3.48 K(o=-4.1,f=-6.8!) USER MOD Set 1.3: A 95 CYS SG : rot 137:sc= -1.77 USER MOD Single : A 1 MET CE :methyl -144:sc= 0 (180deg=-0.00803) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0529) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-2.5e-06) USER MOD Single : A 24 MET CE :methyl -178:sc= -1.11 (180deg=-1.11) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.0431 (180deg=-0.319) USER MOD Single : A 27 MET CE :methyl -106:sc= -0.811 (180deg=-3.29!) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.47 F(o=-3.2!,f=-1.5) USER MOD Single : A 31 TYR OH : rot 180:sc= 0.581 USER MOD Single : A 38 SER OG : rot 180:sc= -0.232 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0104 (180deg=-0.172) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= 0.733 (180deg=0.00639) USER MOD Single : A 65 ASN : amide:sc= -4.86! C(o=-4.9!,f=-9.9!) USER MOD Single : A 70 SER OG : rot 34:sc= 0.128 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -180:sc= 1.19 USER MOD Single : A 76 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.1!) USER MOD Single : A 77 CYS SG : rot -65:sc= -0.491 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 86 SER OG : rot 101:sc= 0.485 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 100 HIS : no HD1:sc= -0.0531 X(o=-0.053,f=-0.063) USER MOD Single : A 101 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.5) USER MOD Single : A 102 HIS : +bothHN:sc= 0.787 K(o=0.79,f=-3.8!) USER MOD Single : A 103 HIS : no HE2:sc= 0.00453 K(o=0.0045,f=-1.5) USER MOD Single : A 104 HIS : no HE2:sc= -0.341 K(o=-0.34,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.192 -9.395 4.764 1.00 42.44 N ATOM 2 CA MET A 1 -8.000 -10.284 4.788 1.00 72.51 C ATOM 3 C MET A 1 -6.713 -9.456 4.616 1.00 15.54 C ATOM 4 O MET A 1 -6.600 -8.658 3.685 1.00 64.34 O ATOM 5 CB MET A 1 -8.117 -11.343 3.676 1.00 45.53 C ATOM 6 CG MET A 1 -7.136 -12.507 3.803 1.00 11.31 C ATOM 7 SD MET A 1 -5.407 -11.996 3.701 1.00 3.44 S ATOM 8 CE MET A 1 -4.573 -13.568 3.912 1.00 3.14 C ATOM 0 H1 MET A 1 -10.053 -9.966 4.881 1.00 42.44 H new ATOM 0 H2 MET A 1 -9.126 -8.705 5.539 1.00 42.44 H new ATOM 0 H3 MET A 1 -9.231 -8.891 3.855 1.00 42.44 H new ATOM 0 HA MET A 1 -7.953 -10.792 5.751 1.00 72.51 H new ATOM 0 HB2 MET A 1 -9.133 -11.739 3.674 1.00 45.53 H new ATOM 0 HB3 MET A 1 -7.963 -10.858 2.712 1.00 45.53 H new ATOM 0 HG2 MET A 1 -7.303 -13.012 4.754 1.00 11.31 H new ATOM 0 HG3 MET A 1 -7.340 -13.233 3.016 1.00 11.31 H new ATOM 0 HE1 MET A 1 -3.658 -13.420 4.486 1.00 3.14 H new ATOM 0 HE2 MET A 1 -5.227 -14.259 4.444 1.00 3.14 H new ATOM 0 HE3 MET A 1 -4.325 -13.983 2.935 1.00 3.14 H new ATOM 20 N ALA A 2 -5.747 -9.642 5.517 1.00 62.24 N ATOM 21 CA ALA A 2 -4.494 -8.873 5.486 1.00 41.44 C ATOM 22 C ALA A 2 -3.266 -9.785 5.640 1.00 34.14 C ATOM 23 O ALA A 2 -3.306 -10.774 6.373 1.00 71.41 O ATOM 24 CB ALA A 2 -4.507 -7.806 6.578 1.00 71.12 C ATOM 0 H ALA A 2 -5.805 -10.318 6.279 1.00 62.24 H new ATOM 0 HA ALA A 2 -4.422 -8.387 4.513 1.00 41.44 H new ATOM 0 HB1 ALA A 2 -3.575 -7.242 6.547 1.00 71.12 H new ATOM 0 HB2 ALA A 2 -5.346 -7.129 6.416 1.00 71.12 H new ATOM 0 HB3 ALA A 2 -4.609 -8.284 7.552 1.00 71.12 H new ATOM 30 N LYS A 3 -2.180 -9.451 4.938 1.00 42.01 N ATOM 31 CA LYS A 3 -0.938 -10.238 5.005 1.00 63.44 C ATOM 32 C LYS A 3 0.299 -9.433 4.548 1.00 22.33 C ATOM 33 O LYS A 3 1.283 -10.005 4.070 1.00 63.55 O ATOM 34 CB LYS A 3 -1.086 -11.547 4.193 1.00 55.41 C ATOM 35 CG LYS A 3 -1.742 -11.402 2.812 1.00 5.41 C ATOM 36 CD LYS A 3 -0.848 -10.694 1.795 1.00 2.32 C ATOM 37 CE LYS A 3 -1.462 -10.709 0.398 1.00 42.15 C ATOM 38 NZ LYS A 3 -2.777 -10.016 0.351 1.00 64.41 N ATOM 0 H LYS A 3 -2.132 -8.643 4.317 1.00 42.01 H new ATOM 0 HA LYS A 3 -0.770 -10.492 6.052 1.00 63.44 H new ATOM 0 HB2 LYS A 3 -0.097 -11.985 4.061 1.00 55.41 H new ATOM 0 HB3 LYS A 3 -1.672 -12.254 4.781 1.00 55.41 H new ATOM 0 HG2 LYS A 3 -2.000 -12.391 2.433 1.00 5.41 H new ATOM 0 HG3 LYS A 3 -2.674 -10.847 2.916 1.00 5.41 H new ATOM 0 HD2 LYS A 3 -0.684 -9.663 2.110 1.00 2.32 H new ATOM 0 HD3 LYS A 3 0.128 -11.178 1.769 1.00 2.32 H new ATOM 0 HE2 LYS A 3 -0.777 -10.231 -0.302 1.00 42.15 H new ATOM 0 HE3 LYS A 3 -1.586 -11.741 0.069 1.00 42.15 H new ATOM 0 HZ1 LYS A 3 -3.114 -9.978 -0.632 1.00 64.41 H new ATOM 0 HZ2 LYS A 3 -3.464 -10.536 0.933 1.00 64.41 H new ATOM 0 HZ3 LYS A 3 -2.673 -9.049 0.719 1.00 64.41 H new ATOM 52 N ALA A 4 0.255 -8.113 4.726 1.00 4.40 N ATOM 53 CA ALA A 4 1.381 -7.236 4.361 1.00 73.52 C ATOM 54 C ALA A 4 1.888 -6.427 5.568 1.00 3.44 C ATOM 55 O ALA A 4 1.312 -6.496 6.658 1.00 2.31 O ATOM 56 CB ALA A 4 0.971 -6.296 3.233 1.00 72.44 C ATOM 0 H ALA A 4 -0.547 -7.621 5.121 1.00 4.40 H new ATOM 0 HA ALA A 4 2.199 -7.872 4.022 1.00 73.52 H new ATOM 0 HB1 ALA A 4 1.811 -5.653 2.972 1.00 72.44 H new ATOM 0 HB2 ALA A 4 0.677 -6.880 2.361 1.00 72.44 H new ATOM 0 HB3 ALA A 4 0.131 -5.682 3.558 1.00 72.44 H new ATOM 62 N GLN A 5 2.970 -5.663 5.357 1.00 33.34 N ATOM 63 CA GLN A 5 3.575 -4.821 6.410 1.00 22.45 C ATOM 64 C GLN A 5 4.196 -5.661 7.544 1.00 73.32 C ATOM 65 O GLN A 5 3.957 -6.869 7.638 1.00 41.23 O ATOM 66 CB GLN A 5 2.532 -3.841 6.988 1.00 32.11 C ATOM 67 CG GLN A 5 2.060 -2.778 6.002 1.00 53.12 C ATOM 68 CD GLN A 5 1.065 -1.816 6.623 1.00 63.44 C ATOM 69 OE1 GLN A 5 1.436 -0.790 7.190 1.00 72.31 O ATOM 70 NE2 GLN A 5 -0.211 -2.137 6.527 1.00 11.42 N ATOM 0 H GLN A 5 3.451 -5.608 4.459 1.00 33.34 H new ATOM 0 HA GLN A 5 4.380 -4.255 5.941 1.00 22.45 H new ATOM 0 HB2 GLN A 5 1.668 -4.409 7.334 1.00 32.11 H new ATOM 0 HB3 GLN A 5 2.959 -3.347 7.861 1.00 32.11 H new ATOM 0 HG2 GLN A 5 2.921 -2.219 5.634 1.00 53.12 H new ATOM 0 HG3 GLN A 5 1.603 -3.263 5.140 1.00 53.12 H new ATOM 0 HE21 GLN A 5 -0.486 -2.996 6.050 1.00 11.42 H new ATOM 0 HE22 GLN A 5 -0.922 -1.527 6.930 1.00 11.42 H new ATOM 79 N PRO A 6 5.035 -5.044 8.410 1.00 73.53 N ATOM 80 CA PRO A 6 5.538 -5.712 9.621 1.00 22.23 C ATOM 81 C PRO A 6 4.387 -6.238 10.496 1.00 35.42 C ATOM 82 O PRO A 6 3.358 -5.574 10.654 1.00 31.12 O ATOM 83 CB PRO A 6 6.334 -4.608 10.351 1.00 41.31 C ATOM 84 CG PRO A 6 5.933 -3.326 9.692 1.00 63.23 C ATOM 85 CD PRO A 6 5.579 -3.681 8.275 1.00 4.34 C ATOM 0 HA PRO A 6 6.146 -6.587 9.390 1.00 22.23 H new ATOM 0 HB2 PRO A 6 6.099 -4.593 11.415 1.00 41.31 H new ATOM 0 HB3 PRO A 6 7.408 -4.775 10.264 1.00 41.31 H new ATOM 0 HG2 PRO A 6 5.084 -2.873 10.204 1.00 63.23 H new ATOM 0 HG3 PRO A 6 6.747 -2.601 9.721 1.00 63.23 H new ATOM 0 HD2 PRO A 6 4.846 -2.992 7.856 1.00 4.34 H new ATOM 0 HD3 PRO A 6 6.451 -3.656 7.621 1.00 4.34 H new ATOM 93 N ILE A 7 4.556 -7.432 11.054 1.00 62.21 N ATOM 94 CA ILE A 7 3.495 -8.069 11.842 1.00 2.42 C ATOM 95 C ILE A 7 3.295 -7.349 13.187 1.00 24.12 C ATOM 96 O ILE A 7 4.137 -7.435 14.081 1.00 20.21 O ATOM 97 CB ILE A 7 3.777 -9.582 12.091 1.00 63.33 C ATOM 98 CG1 ILE A 7 3.795 -10.380 10.766 1.00 71.34 C ATOM 99 CG2 ILE A 7 2.739 -10.172 13.047 1.00 64.44 C ATOM 100 CD1 ILE A 7 4.970 -10.071 9.859 1.00 51.23 C ATOM 0 H ILE A 7 5.413 -7.980 10.978 1.00 62.21 H new ATOM 0 HA ILE A 7 2.580 -7.988 11.255 1.00 2.42 H new ATOM 0 HB ILE A 7 4.764 -9.662 12.546 1.00 63.33 H new ATOM 0 HG12 ILE A 7 3.803 -11.445 10.999 1.00 71.34 H new ATOM 0 HG13 ILE A 7 2.871 -10.179 10.223 1.00 71.34 H new ATOM 0 HG21 ILE A 7 2.952 -11.229 13.209 1.00 64.44 H new ATOM 0 HG22 ILE A 7 2.780 -9.644 14.000 1.00 64.44 H new ATOM 0 HG23 ILE A 7 1.744 -10.065 12.615 1.00 64.44 H new ATOM 0 HD11 ILE A 7 4.901 -10.676 8.955 1.00 51.23 H new ATOM 0 HD12 ILE A 7 4.955 -9.015 9.591 1.00 51.23 H new ATOM 0 HD13 ILE A 7 5.901 -10.300 10.378 1.00 51.23 H new ATOM 112 N GLU A 8 2.187 -6.620 13.308 1.00 70.13 N ATOM 113 CA GLU A 8 1.858 -5.895 14.540 1.00 23.21 C ATOM 114 C GLU A 8 0.871 -6.693 15.403 1.00 1.21 C ATOM 115 O GLU A 8 -0.202 -7.083 14.940 1.00 75.22 O ATOM 116 CB GLU A 8 1.281 -4.506 14.194 1.00 21.32 C ATOM 117 CG GLU A 8 0.936 -3.622 15.403 1.00 61.15 C ATOM 118 CD GLU A 8 -0.430 -3.923 16.017 1.00 72.43 C ATOM 119 OE1 GLU A 8 -1.443 -3.835 15.292 1.00 54.31 O ATOM 120 OE2 GLU A 8 -0.504 -4.226 17.229 1.00 72.32 O ATOM 0 H GLU A 8 1.497 -6.514 12.565 1.00 70.13 H new ATOM 0 HA GLU A 8 2.772 -5.763 15.119 1.00 23.21 H new ATOM 0 HB2 GLU A 8 2.001 -3.976 13.570 1.00 21.32 H new ATOM 0 HB3 GLU A 8 0.380 -4.643 13.595 1.00 21.32 H new ATOM 0 HG2 GLU A 8 1.703 -3.751 16.166 1.00 61.15 H new ATOM 0 HG3 GLU A 8 0.964 -2.576 15.096 1.00 61.15 H new ATOM 127 N ILE A 9 1.251 -6.950 16.653 1.00 75.13 N ATOM 128 CA ILE A 9 0.369 -7.608 17.623 1.00 14.41 C ATOM 129 C ILE A 9 0.469 -6.922 18.998 1.00 3.41 C ATOM 130 O ILE A 9 1.502 -7.004 19.668 1.00 23.14 O ATOM 131 CB ILE A 9 0.705 -9.118 17.784 1.00 74.00 C ATOM 132 CG1 ILE A 9 0.659 -9.842 16.426 1.00 2.44 C ATOM 133 CG2 ILE A 9 -0.262 -9.776 18.771 1.00 21.15 C ATOM 134 CD1 ILE A 9 1.046 -11.307 16.493 1.00 33.20 C ATOM 0 H ILE A 9 2.171 -6.711 17.023 1.00 75.13 H new ATOM 0 HA ILE A 9 -0.647 -7.520 17.237 1.00 14.41 H new ATOM 0 HB ILE A 9 1.718 -9.200 18.177 1.00 74.00 H new ATOM 0 HG12 ILE A 9 -0.348 -9.761 16.017 1.00 2.44 H new ATOM 0 HG13 ILE A 9 1.327 -9.332 15.731 1.00 2.44 H new ATOM 0 HG21 ILE A 9 -0.014 -10.833 18.873 1.00 21.15 H new ATOM 0 HG22 ILE A 9 -0.179 -9.288 19.742 1.00 21.15 H new ATOM 0 HG23 ILE A 9 -1.283 -9.677 18.401 1.00 21.15 H new ATOM 0 HD11 ILE A 9 0.988 -11.745 15.496 1.00 33.20 H new ATOM 0 HD12 ILE A 9 2.065 -11.397 16.870 1.00 33.20 H new ATOM 0 HD13 ILE A 9 0.364 -11.833 17.160 1.00 33.20 H new ATOM 146 N ALA A 10 -0.596 -6.218 19.392 1.00 74.25 N ATOM 147 CA ALA A 10 -0.670 -5.561 20.708 1.00 34.44 C ATOM 148 C ALA A 10 0.452 -4.526 20.913 1.00 33.14 C ATOM 149 O ALA A 10 0.889 -4.282 22.039 1.00 13.51 O ATOM 150 CB ALA A 10 -0.640 -6.609 21.817 1.00 32.13 C ATOM 0 H ALA A 10 -1.427 -6.086 18.816 1.00 74.25 H new ATOM 0 HA ALA A 10 -1.613 -5.016 20.748 1.00 34.44 H new ATOM 0 HB1 ALA A 10 -0.695 -6.114 22.787 1.00 32.13 H new ATOM 0 HB2 ALA A 10 -1.490 -7.282 21.704 1.00 32.13 H new ATOM 0 HB3 ALA A 10 0.286 -7.180 21.753 1.00 32.13 H new ATOM 156 N GLY A 11 0.901 -3.908 19.824 1.00 41.43 N ATOM 157 CA GLY A 11 1.967 -2.910 19.906 1.00 12.04 C ATOM 158 C GLY A 11 3.352 -3.484 19.618 1.00 5.41 C ATOM 159 O GLY A 11 4.345 -2.756 19.591 1.00 24.32 O ATOM 0 H GLY A 11 0.548 -4.077 18.882 1.00 41.43 H new ATOM 0 HA2 GLY A 11 1.759 -2.107 19.199 1.00 12.04 H new ATOM 0 HA3 GLY A 11 1.965 -2.466 20.902 1.00 12.04 H new ATOM 163 N HIS A 12 3.426 -4.797 19.418 1.00 62.44 N ATOM 164 CA HIS A 12 4.691 -5.465 19.091 1.00 50.55 C ATOM 165 C HIS A 12 4.842 -5.639 17.575 1.00 63.43 C ATOM 166 O HIS A 12 3.925 -6.110 16.908 1.00 63.54 O ATOM 167 CB HIS A 12 4.760 -6.832 19.780 1.00 1.31 C ATOM 168 CG HIS A 12 4.768 -6.757 21.279 1.00 34.23 C ATOM 169 ND1 HIS A 12 5.910 -6.913 22.031 1.00 5.24 N ATOM 170 CD2 HIS A 12 3.763 -6.557 22.169 1.00 11.12 C ATOM 171 CE1 HIS A 12 5.614 -6.818 23.310 1.00 73.32 C ATOM 172 NE2 HIS A 12 4.319 -6.601 23.424 1.00 3.41 N ATOM 0 H HIS A 12 2.624 -5.425 19.476 1.00 62.44 H new ATOM 0 HA HIS A 12 5.508 -4.839 19.450 1.00 50.55 H new ATOM 0 HB2 HIS A 12 3.908 -7.433 19.460 1.00 1.31 H new ATOM 0 HB3 HIS A 12 5.659 -7.351 19.447 1.00 1.31 H new ATOM 0 HD2 HIS A 12 2.722 -6.394 21.934 1.00 11.12 H new ATOM 0 HE1 HIS A 12 6.314 -6.903 24.128 1.00 73.32 H new ATOM 0 HE2 HIS A 12 3.812 -6.485 24.302 1.00 3.41 H new ATOM 181 N GLU A 13 6.001 -5.266 17.039 1.00 40.33 N ATOM 182 CA GLU A 13 6.250 -5.369 15.595 1.00 55.22 C ATOM 183 C GLU A 13 7.267 -6.479 15.282 1.00 64.13 C ATOM 184 O GLU A 13 8.319 -6.585 15.920 1.00 42.31 O ATOM 185 CB GLU A 13 6.723 -4.020 15.016 1.00 60.42 C ATOM 186 CG GLU A 13 8.066 -3.520 15.552 1.00 73.34 C ATOM 187 CD GLU A 13 8.028 -3.134 17.023 1.00 13.42 C ATOM 188 OE1 GLU A 13 7.553 -2.026 17.343 1.00 53.22 O ATOM 189 OE2 GLU A 13 8.481 -3.934 17.868 1.00 42.44 O ATOM 0 H GLU A 13 6.783 -4.891 17.576 1.00 40.33 H new ATOM 0 HA GLU A 13 5.306 -5.632 15.117 1.00 55.22 H new ATOM 0 HB2 GLU A 13 6.793 -4.112 13.932 1.00 60.42 H new ATOM 0 HB3 GLU A 13 5.963 -3.267 15.223 1.00 60.42 H new ATOM 0 HG2 GLU A 13 8.817 -4.297 15.408 1.00 73.34 H new ATOM 0 HG3 GLU A 13 8.383 -2.657 14.966 1.00 73.34 H new ATOM 196 N PHE A 14 6.941 -7.314 14.298 1.00 41.24 N ATOM 197 CA PHE A 14 7.794 -8.443 13.919 1.00 32.41 C ATOM 198 C PHE A 14 8.202 -8.372 12.440 1.00 21.14 C ATOM 199 O PHE A 14 7.398 -8.004 11.580 1.00 61.15 O ATOM 200 CB PHE A 14 7.066 -9.762 14.211 1.00 11.15 C ATOM 201 CG PHE A 14 6.616 -9.883 15.646 1.00 3.32 C ATOM 202 CD1 PHE A 14 7.516 -10.235 16.642 1.00 0.00 C ATOM 203 CD2 PHE A 14 5.298 -9.633 16.002 1.00 70.45 C ATOM 204 CE1 PHE A 14 7.111 -10.333 17.958 1.00 70.24 C ATOM 205 CE2 PHE A 14 4.890 -9.733 17.317 1.00 22.23 C ATOM 206 CZ PHE A 14 5.798 -10.082 18.296 1.00 50.23 C ATOM 0 H PHE A 14 6.088 -7.231 13.745 1.00 41.24 H new ATOM 0 HA PHE A 14 8.707 -8.394 14.512 1.00 32.41 H new ATOM 0 HB2 PHE A 14 6.199 -9.844 13.556 1.00 11.15 H new ATOM 0 HB3 PHE A 14 7.726 -10.596 13.972 1.00 11.15 H new ATOM 0 HD1 PHE A 14 8.546 -10.435 16.384 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.583 -9.357 15.241 1.00 70.45 H new ATOM 0 HE1 PHE A 14 7.823 -10.606 18.723 1.00 70.24 H new ATOM 0 HE2 PHE A 14 3.861 -9.538 17.580 1.00 22.23 H new ATOM 0 HZ PHE A 14 5.481 -10.158 19.325 1.00 50.23 H new ATOM 216 N ALA A 15 9.454 -8.739 12.154 1.00 55.04 N ATOM 217 CA ALA A 15 10.007 -8.653 10.793 1.00 52.00 C ATOM 218 C ALA A 15 9.361 -9.667 9.837 1.00 5.00 C ATOM 219 O ALA A 15 9.122 -9.369 8.666 1.00 32.14 O ATOM 220 CB ALA A 15 11.519 -8.856 10.826 1.00 3.05 C ATOM 0 H ALA A 15 10.109 -9.100 12.848 1.00 55.04 H new ATOM 0 HA ALA A 15 9.779 -7.657 10.414 1.00 52.00 H new ATOM 0 HB1 ALA A 15 11.917 -8.790 9.813 1.00 3.05 H new ATOM 0 HB2 ALA A 15 11.976 -8.085 11.446 1.00 3.05 H new ATOM 0 HB3 ALA A 15 11.745 -9.838 11.242 1.00 3.05 H new ATOM 226 N ARG A 16 9.086 -10.867 10.342 1.00 54.21 N ATOM 227 CA ARG A 16 8.487 -11.934 9.530 1.00 24.14 C ATOM 228 C ARG A 16 7.405 -12.697 10.310 1.00 32.32 C ATOM 229 O ARG A 16 7.304 -12.576 11.531 1.00 0.03 O ATOM 230 CB ARG A 16 9.561 -12.920 9.030 1.00 1.42 C ATOM 231 CG ARG A 16 10.361 -13.622 10.135 1.00 72.21 C ATOM 232 CD ARG A 16 11.484 -12.747 10.691 1.00 65.15 C ATOM 233 NE ARG A 16 12.449 -12.387 9.657 1.00 20.30 N ATOM 234 CZ ARG A 16 13.687 -12.047 9.886 1.00 2.13 C ATOM 235 NH1 ARG A 16 14.162 -12.014 11.089 1.00 73.44 N ATOM 236 NH2 ARG A 16 14.460 -11.753 8.897 1.00 42.33 N ATOM 0 H ARG A 16 9.267 -11.130 11.311 1.00 54.21 H new ATOM 0 HA ARG A 16 8.019 -11.455 8.670 1.00 24.14 H new ATOM 0 HB2 ARG A 16 9.078 -13.679 8.414 1.00 1.42 H new ATOM 0 HB3 ARG A 16 10.256 -12.381 8.386 1.00 1.42 H new ATOM 0 HG2 ARG A 16 9.687 -13.901 10.945 1.00 72.21 H new ATOM 0 HG3 ARG A 16 10.786 -14.545 9.741 1.00 72.21 H new ATOM 0 HD2 ARG A 16 11.059 -11.841 11.124 1.00 65.15 H new ATOM 0 HD3 ARG A 16 11.994 -13.277 11.496 1.00 65.15 H new ATOM 0 HE ARG A 16 12.133 -12.402 8.687 1.00 20.30 H new ATOM 0 HH11 ARG A 16 13.565 -12.257 11.880 1.00 73.44 H new ATOM 0 HH12 ARG A 16 15.133 -11.745 11.247 1.00 73.44 H new ATOM 0 HH21 ARG A 16 14.102 -11.787 7.942 1.00 42.33 H new ATOM 0 HH22 ARG A 16 15.429 -11.486 9.069 1.00 42.33 H new ATOM 250 N LYS A 17 6.607 -13.488 9.595 1.00 72.13 N ATOM 251 CA LYS A 17 5.538 -14.291 10.209 1.00 71.13 C ATOM 252 C LYS A 17 6.079 -15.172 11.347 1.00 25.34 C ATOM 253 O LYS A 17 5.509 -15.221 12.442 1.00 34.43 O ATOM 254 CB LYS A 17 4.875 -15.177 9.143 1.00 35.52 C ATOM 255 CG LYS A 17 3.707 -16.015 9.660 1.00 11.25 C ATOM 256 CD LYS A 17 2.468 -15.167 9.934 1.00 21.11 C ATOM 257 CE LYS A 17 1.326 -16.016 10.475 1.00 54.42 C ATOM 258 NZ LYS A 17 0.033 -15.288 10.451 1.00 61.20 N ATOM 0 H LYS A 17 6.677 -13.594 8.583 1.00 72.13 H new ATOM 0 HA LYS A 17 4.803 -13.605 10.630 1.00 71.13 H new ATOM 0 HB2 LYS A 17 4.521 -14.543 8.330 1.00 35.52 H new ATOM 0 HB3 LYS A 17 5.627 -15.844 8.722 1.00 35.52 H new ATOM 0 HG2 LYS A 17 3.463 -16.786 8.929 1.00 11.25 H new ATOM 0 HG3 LYS A 17 4.005 -16.526 10.575 1.00 11.25 H new ATOM 0 HD2 LYS A 17 2.712 -14.383 10.651 1.00 21.11 H new ATOM 0 HD3 LYS A 17 2.153 -14.672 9.015 1.00 21.11 H new ATOM 0 HE2 LYS A 17 1.240 -16.927 9.883 1.00 54.42 H new ATOM 0 HE3 LYS A 17 1.552 -16.319 11.497 1.00 54.42 H new ATOM 0 HZ1 LYS A 17 -0.746 -15.968 10.342 1.00 61.20 H new ATOM 0 HZ2 LYS A 17 -0.087 -14.764 11.341 1.00 61.20 H new ATOM 0 HZ3 LYS A 17 0.025 -14.621 9.653 1.00 61.20 H new ATOM 272 N ALA A 18 7.185 -15.861 11.079 1.00 41.41 N ATOM 273 CA ALA A 18 7.803 -16.754 12.064 1.00 50.13 C ATOM 274 C ALA A 18 8.289 -15.997 13.311 1.00 41.20 C ATOM 275 O ALA A 18 8.365 -16.566 14.396 1.00 73.13 O ATOM 276 CB ALA A 18 8.956 -17.513 11.423 1.00 64.31 C ATOM 0 H ALA A 18 7.676 -15.820 10.186 1.00 41.41 H new ATOM 0 HA ALA A 18 7.040 -17.459 12.394 1.00 50.13 H new ATOM 0 HB1 ALA A 18 9.411 -18.175 12.160 1.00 64.31 H new ATOM 0 HB2 ALA A 18 8.582 -18.104 10.587 1.00 64.31 H new ATOM 0 HB3 ALA A 18 9.702 -16.805 11.062 1.00 64.31 H new ATOM 282 N ASP A 19 8.604 -14.712 13.151 1.00 12.43 N ATOM 283 CA ASP A 19 9.077 -13.881 14.265 1.00 21.01 C ATOM 284 C ASP A 19 7.962 -13.697 15.316 1.00 14.21 C ATOM 285 O ASP A 19 8.217 -13.682 16.524 1.00 64.01 O ATOM 286 CB ASP A 19 9.561 -12.525 13.719 1.00 71.21 C ATOM 287 CG ASP A 19 10.273 -11.661 14.750 1.00 30.31 C ATOM 288 OD1 ASP A 19 10.798 -12.210 15.739 1.00 53.31 O ATOM 289 OD2 ASP A 19 10.340 -10.428 14.552 1.00 11.35 O ATOM 0 H ASP A 19 8.541 -14.220 12.260 1.00 12.43 H new ATOM 0 HA ASP A 19 9.912 -14.377 14.759 1.00 21.01 H new ATOM 0 HB2 ASP A 19 10.235 -12.702 12.881 1.00 71.21 H new ATOM 0 HB3 ASP A 19 8.704 -11.975 13.329 1.00 71.21 H new ATOM 294 N ALA A 20 6.722 -13.577 14.841 1.00 22.42 N ATOM 295 CA ALA A 20 5.552 -13.462 15.723 1.00 55.03 C ATOM 296 C ALA A 20 5.228 -14.800 16.406 1.00 34.24 C ATOM 297 O ALA A 20 4.999 -14.858 17.617 1.00 31.45 O ATOM 298 CB ALA A 20 4.346 -12.971 14.927 1.00 40.22 C ATOM 0 H ALA A 20 6.498 -13.556 13.846 1.00 22.42 H new ATOM 0 HA ALA A 20 5.788 -12.739 16.504 1.00 55.03 H new ATOM 0 HB1 ALA A 20 3.483 -12.888 15.588 1.00 40.22 H new ATOM 0 HB2 ALA A 20 4.568 -11.995 14.496 1.00 40.22 H new ATOM 0 HB3 ALA A 20 4.125 -13.679 14.128 1.00 40.22 H new ATOM 304 N LEU A 21 5.214 -15.872 15.616 1.00 1.53 N ATOM 305 CA LEU A 21 4.931 -17.216 16.132 1.00 72.22 C ATOM 306 C LEU A 21 5.990 -17.660 17.155 1.00 53.35 C ATOM 307 O LEU A 21 5.661 -18.194 18.217 1.00 64.43 O ATOM 308 CB LEU A 21 4.857 -18.223 14.974 1.00 55.41 C ATOM 309 CG LEU A 21 3.794 -17.917 13.902 1.00 42.03 C ATOM 310 CD1 LEU A 21 3.841 -18.952 12.784 1.00 72.23 C ATOM 311 CD2 LEU A 21 2.395 -17.855 14.521 1.00 31.44 C ATOM 0 H LEU A 21 5.396 -15.839 14.613 1.00 1.53 H new ATOM 0 HA LEU A 21 3.968 -17.184 16.641 1.00 72.22 H new ATOM 0 HB2 LEU A 21 5.833 -18.269 14.491 1.00 55.41 H new ATOM 0 HB3 LEU A 21 4.659 -19.212 15.387 1.00 55.41 H new ATOM 0 HG LEU A 21 4.019 -16.940 13.474 1.00 42.03 H new ATOM 0 HD11 LEU A 21 3.082 -18.716 12.038 1.00 72.23 H new ATOM 0 HD12 LEU A 21 4.826 -18.938 12.317 1.00 72.23 H new ATOM 0 HD13 LEU A 21 3.649 -19.942 13.197 1.00 72.23 H new ATOM 0 HD21 LEU A 21 1.662 -17.638 13.744 1.00 31.44 H new ATOM 0 HD22 LEU A 21 2.159 -18.813 14.984 1.00 31.44 H new ATOM 0 HD23 LEU A 21 2.366 -17.070 15.277 1.00 31.44 H new ATOM 323 N ALA A 22 7.262 -17.425 16.828 1.00 51.22 N ATOM 324 CA ALA A 22 8.372 -17.767 17.722 1.00 61.53 C ATOM 325 C ALA A 22 8.281 -17.004 19.052 1.00 10.12 C ATOM 326 O ALA A 22 8.569 -17.557 20.109 1.00 52.52 O ATOM 327 CB ALA A 22 9.709 -17.494 17.042 1.00 64.12 C ATOM 0 H ALA A 22 7.551 -16.998 15.948 1.00 51.22 H new ATOM 0 HA ALA A 22 8.301 -18.832 17.945 1.00 61.53 H new ATOM 0 HB1 ALA A 22 10.522 -17.754 17.720 1.00 64.12 H new ATOM 0 HB2 ALA A 22 9.786 -18.095 16.136 1.00 64.12 H new ATOM 0 HB3 ALA A 22 9.776 -16.437 16.783 1.00 64.12 H new ATOM 333 N PHE A 23 7.868 -15.735 18.992 1.00 64.45 N ATOM 334 CA PHE A 23 7.693 -14.917 20.201 1.00 43.32 C ATOM 335 C PHE A 23 6.729 -15.595 21.189 1.00 52.44 C ATOM 336 O PHE A 23 7.031 -15.736 22.377 1.00 65.41 O ATOM 337 CB PHE A 23 7.169 -13.522 19.826 1.00 21.43 C ATOM 338 CG PHE A 23 7.032 -12.583 21.001 1.00 45.52 C ATOM 339 CD1 PHE A 23 8.139 -11.913 21.503 1.00 5.21 C ATOM 340 CD2 PHE A 23 5.798 -12.368 21.602 1.00 71.15 C ATOM 341 CE1 PHE A 23 8.020 -11.052 22.578 1.00 73.21 C ATOM 342 CE2 PHE A 23 5.674 -11.508 22.677 1.00 22.44 C ATOM 343 CZ PHE A 23 6.786 -10.849 23.165 1.00 55.02 C ATOM 0 H PHE A 23 7.648 -15.250 18.122 1.00 64.45 H new ATOM 0 HA PHE A 23 8.664 -14.815 20.686 1.00 43.32 H new ATOM 0 HB2 PHE A 23 7.843 -13.076 19.094 1.00 21.43 H new ATOM 0 HB3 PHE A 23 6.198 -13.627 19.343 1.00 21.43 H new ATOM 0 HD1 PHE A 23 9.106 -12.066 21.048 1.00 5.21 H new ATOM 0 HD2 PHE A 23 4.925 -12.879 21.225 1.00 71.15 H new ATOM 0 HE1 PHE A 23 8.891 -10.539 22.958 1.00 73.21 H new ATOM 0 HE2 PHE A 23 4.709 -11.351 23.135 1.00 22.44 H new ATOM 0 HZ PHE A 23 6.691 -10.176 24.004 1.00 55.02 H new ATOM 353 N MET A 24 5.572 -16.019 20.684 1.00 12.15 N ATOM 354 CA MET A 24 4.593 -16.746 21.501 1.00 12.24 C ATOM 355 C MET A 24 5.175 -18.069 22.014 1.00 21.04 C ATOM 356 O MET A 24 4.955 -18.447 23.162 1.00 12.40 O ATOM 357 CB MET A 24 3.303 -16.996 20.707 1.00 53.33 C ATOM 358 CG MET A 24 2.517 -15.724 20.419 1.00 74.44 C ATOM 359 SD MET A 24 1.001 -16.024 19.489 1.00 71.13 S ATOM 360 CE MET A 24 1.664 -16.511 17.899 1.00 12.31 C ATOM 0 H MET A 24 5.287 -15.874 19.716 1.00 12.15 H new ATOM 0 HA MET A 24 4.352 -16.127 22.365 1.00 12.24 H new ATOM 0 HB2 MET A 24 3.553 -17.481 19.764 1.00 53.33 H new ATOM 0 HB3 MET A 24 2.670 -17.688 21.263 1.00 53.33 H new ATOM 0 HG2 MET A 24 2.267 -15.237 21.362 1.00 74.44 H new ATOM 0 HG3 MET A 24 3.148 -15.033 19.860 1.00 74.44 H new ATOM 0 HE1 MET A 24 0.845 -16.695 17.204 1.00 12.31 H new ATOM 0 HE2 MET A 24 2.298 -15.714 17.510 1.00 12.31 H new ATOM 0 HE3 MET A 24 2.254 -17.421 18.014 1.00 12.31 H new ATOM 370 N LYS A 25 5.932 -18.755 21.160 1.00 70.33 N ATOM 371 CA LYS A 25 6.611 -20.001 21.537 1.00 34.32 C ATOM 372 C LYS A 25 7.584 -19.768 22.709 1.00 22.40 C ATOM 373 O LYS A 25 7.623 -20.552 23.660 1.00 50.03 O ATOM 374 CB LYS A 25 7.344 -20.581 20.306 1.00 2.52 C ATOM 375 CG LYS A 25 8.030 -21.938 20.522 1.00 44.12 C ATOM 376 CD LYS A 25 9.415 -21.806 21.161 1.00 32.43 C ATOM 377 CE LYS A 25 10.126 -23.152 21.264 1.00 71.52 C ATOM 378 NZ LYS A 25 10.370 -23.757 19.927 1.00 12.15 N ATOM 0 H LYS A 25 6.094 -18.469 20.194 1.00 70.33 H new ATOM 0 HA LYS A 25 5.868 -20.723 21.875 1.00 34.32 H new ATOM 0 HB2 LYS A 25 6.626 -20.682 19.492 1.00 2.52 H new ATOM 0 HB3 LYS A 25 8.095 -19.862 19.980 1.00 2.52 H new ATOM 0 HG2 LYS A 25 7.400 -22.562 21.156 1.00 44.12 H new ATOM 0 HG3 LYS A 25 8.124 -22.449 19.564 1.00 44.12 H new ATOM 0 HD2 LYS A 25 10.022 -21.119 20.572 1.00 32.43 H new ATOM 0 HD3 LYS A 25 9.316 -21.371 22.156 1.00 32.43 H new ATOM 0 HE2 LYS A 25 11.076 -23.021 21.782 1.00 71.52 H new ATOM 0 HE3 LYS A 25 9.526 -23.834 21.866 1.00 71.52 H new ATOM 0 HZ1 LYS A 25 11.077 -24.515 20.013 1.00 12.15 H new ATOM 0 HZ2 LYS A 25 9.482 -24.152 19.558 1.00 12.15 H new ATOM 0 HZ3 LYS A 25 10.722 -23.027 19.275 1.00 12.15 H new ATOM 392 N VAL A 26 8.359 -18.684 22.638 1.00 10.12 N ATOM 393 CA VAL A 26 9.320 -18.342 23.697 1.00 71.52 C ATOM 394 C VAL A 26 8.633 -18.203 25.066 1.00 1.34 C ATOM 395 O VAL A 26 8.983 -18.905 26.018 1.00 11.33 O ATOM 396 CB VAL A 26 10.092 -17.031 23.374 1.00 0.32 C ATOM 397 CG1 VAL A 26 11.001 -16.628 24.537 1.00 72.23 C ATOM 398 CG2 VAL A 26 10.907 -17.182 22.088 1.00 32.21 C ATOM 0 H VAL A 26 8.342 -18.025 21.859 1.00 10.12 H new ATOM 0 HA VAL A 26 10.031 -19.167 23.741 1.00 71.52 H new ATOM 0 HB VAL A 26 9.357 -16.240 23.226 1.00 0.32 H new ATOM 0 HG11 VAL A 26 11.529 -15.708 24.284 1.00 72.23 H new ATOM 0 HG12 VAL A 26 10.398 -16.467 25.431 1.00 72.23 H new ATOM 0 HG13 VAL A 26 11.724 -17.421 24.725 1.00 72.23 H new ATOM 0 HG21 VAL A 26 11.438 -16.253 21.883 1.00 32.21 H new ATOM 0 HG22 VAL A 26 11.626 -17.992 22.206 1.00 32.21 H new ATOM 0 HG23 VAL A 26 10.238 -17.409 21.258 1.00 32.21 H new ATOM 408 N MET A 27 7.648 -17.308 25.164 1.00 64.52 N ATOM 409 CA MET A 27 6.942 -17.100 26.435 1.00 31.01 C ATOM 410 C MET A 27 6.146 -18.351 26.843 1.00 63.13 C ATOM 411 O MET A 27 6.038 -18.666 28.027 1.00 3.20 O ATOM 412 CB MET A 27 6.028 -15.867 26.375 1.00 52.25 C ATOM 413 CG MET A 27 4.901 -15.952 25.358 1.00 11.52 C ATOM 414 SD MET A 27 3.882 -14.463 25.357 1.00 53.35 S ATOM 415 CE MET A 27 2.670 -14.865 24.103 1.00 32.14 C ATOM 0 H MET A 27 7.323 -16.723 24.394 1.00 64.52 H new ATOM 0 HA MET A 27 7.698 -16.918 27.199 1.00 31.01 H new ATOM 0 HB2 MET A 27 5.595 -15.706 27.362 1.00 52.25 H new ATOM 0 HB3 MET A 27 6.637 -14.992 26.148 1.00 52.25 H new ATOM 0 HG2 MET A 27 5.320 -16.106 24.364 1.00 11.52 H new ATOM 0 HG3 MET A 27 4.278 -16.818 25.579 1.00 11.52 H new ATOM 0 HE1 MET A 27 2.882 -14.297 23.197 1.00 32.14 H new ATOM 0 HE2 MET A 27 2.715 -15.931 23.882 1.00 32.14 H new ATOM 0 HE3 MET A 27 1.674 -14.612 24.465 1.00 32.14 H new ATOM 425 N LEU A 28 5.611 -19.073 25.859 1.00 1.32 N ATOM 426 CA LEU A 28 4.928 -20.347 26.118 1.00 61.13 C ATOM 427 C LEU A 28 5.860 -21.320 26.855 1.00 63.32 C ATOM 428 O LEU A 28 5.481 -21.941 27.847 1.00 2.45 O ATOM 429 CB LEU A 28 4.463 -20.970 24.794 1.00 54.02 C ATOM 430 CG LEU A 28 3.705 -22.302 24.909 1.00 13.22 C ATOM 431 CD1 LEU A 28 2.422 -22.132 25.719 1.00 45.23 C ATOM 432 CD2 LEU A 28 3.403 -22.861 23.521 1.00 41.21 C ATOM 0 H LEU A 28 5.635 -18.801 24.876 1.00 1.32 H new ATOM 0 HA LEU A 28 4.060 -20.153 26.748 1.00 61.13 H new ATOM 0 HB2 LEU A 28 3.822 -20.252 24.282 1.00 54.02 H new ATOM 0 HB3 LEU A 28 5.337 -21.125 24.161 1.00 54.02 H new ATOM 0 HG LEU A 28 4.339 -23.014 25.437 1.00 13.22 H new ATOM 0 HD11 LEU A 28 1.904 -23.089 25.786 1.00 45.23 H new ATOM 0 HD12 LEU A 28 2.668 -21.782 26.722 1.00 45.23 H new ATOM 0 HD13 LEU A 28 1.776 -21.403 25.229 1.00 45.23 H new ATOM 0 HD21 LEU A 28 2.866 -23.805 23.618 1.00 41.21 H new ATOM 0 HD22 LEU A 28 2.790 -22.150 22.968 1.00 41.21 H new ATOM 0 HD23 LEU A 28 4.337 -23.029 22.985 1.00 41.21 H new ATOM 444 N ASN A 29 7.095 -21.423 26.362 1.00 44.21 N ATOM 445 CA ASN A 29 8.113 -22.290 26.968 1.00 43.14 C ATOM 446 C ASN A 29 8.698 -21.663 28.243 1.00 34.21 C ATOM 447 O ASN A 29 9.435 -22.315 28.989 1.00 23.14 O ATOM 448 CB ASN A 29 9.234 -22.574 25.957 1.00 23.55 C ATOM 449 CG ASN A 29 8.784 -23.442 24.792 1.00 13.34 C ATOM 450 OD1 ASN A 29 7.524 -23.349 24.409 1.00 51.23 O flip ATOM 451 ND2 ASN A 29 9.568 -24.195 24.232 1.00 35.12 N flip ATOM 0 H ASN A 29 7.418 -20.914 25.539 1.00 44.21 H new ATOM 0 HA ASN A 29 7.632 -23.228 27.246 1.00 43.14 H new ATOM 0 HB2 ASN A 29 9.615 -21.628 25.571 1.00 23.55 H new ATOM 0 HB3 ASN A 29 10.061 -23.065 26.470 1.00 23.55 H new ATOM 0 HD21 ASN A 29 10.537 -24.249 24.547 1.00 35.12 H new ATOM 0 HD22 ASN A 29 9.253 -24.769 23.450 1.00 35.12 H new ATOM 458 N ARG A 30 8.379 -20.393 28.478 1.00 44.51 N ATOM 459 CA ARG A 30 8.801 -19.696 29.695 1.00 72.33 C ATOM 460 C ARG A 30 7.913 -20.118 30.883 1.00 11.52 C ATOM 461 O ARG A 30 8.403 -20.341 31.991 1.00 71.33 O ATOM 462 CB ARG A 30 8.738 -18.171 29.468 1.00 14.40 C ATOM 463 CG ARG A 30 9.667 -17.344 30.362 1.00 44.12 C ATOM 464 CD ARG A 30 9.221 -17.316 31.820 1.00 24.44 C ATOM 465 NE ARG A 30 10.180 -16.613 32.668 1.00 21.22 N ATOM 466 CZ ARG A 30 10.503 -16.988 33.876 1.00 5.31 C ATOM 467 NH1 ARG A 30 9.934 -18.014 34.419 1.00 51.03 N ATOM 468 NH2 ARG A 30 11.397 -16.331 34.540 1.00 34.42 N ATOM 0 H ARG A 30 7.827 -19.821 27.839 1.00 44.51 H new ATOM 0 HA ARG A 30 9.830 -19.967 29.931 1.00 72.33 H new ATOM 0 HB2 ARG A 30 8.982 -17.964 28.426 1.00 14.40 H new ATOM 0 HB3 ARG A 30 7.713 -17.837 29.628 1.00 14.40 H new ATOM 0 HG2 ARG A 30 10.676 -17.752 30.304 1.00 44.12 H new ATOM 0 HG3 ARG A 30 9.714 -16.323 29.982 1.00 44.12 H new ATOM 0 HD2 ARG A 30 8.248 -16.831 31.893 1.00 24.44 H new ATOM 0 HD3 ARG A 30 9.096 -18.337 32.181 1.00 24.44 H new ATOM 0 HE ARG A 30 10.626 -15.776 32.293 1.00 21.22 H new ATOM 0 HH11 ARG A 30 9.227 -18.537 33.903 1.00 51.03 H new ATOM 0 HH12 ARG A 30 10.192 -18.300 35.363 1.00 51.03 H new ATOM 0 HH21 ARG A 30 11.850 -15.519 34.120 1.00 34.42 H new ATOM 0 HH22 ARG A 30 11.649 -16.624 35.484 1.00 34.42 H new ATOM 482 N TYR A 31 6.604 -20.228 30.637 1.00 55.42 N ATOM 483 CA TYR A 31 5.650 -20.677 31.666 1.00 52.01 C ATOM 484 C TYR A 31 5.647 -22.212 31.797 1.00 51.13 C ATOM 485 O TYR A 31 6.231 -22.923 30.975 1.00 72.53 O ATOM 486 CB TYR A 31 4.224 -20.212 31.329 1.00 73.21 C ATOM 487 CG TYR A 31 4.035 -18.707 31.261 1.00 45.45 C ATOM 488 CD1 TYR A 31 3.795 -17.960 32.410 1.00 52.54 C ATOM 489 CD2 TYR A 31 4.073 -18.038 30.043 1.00 70.10 C ATOM 490 CE1 TYR A 31 3.600 -16.593 32.343 1.00 31.25 C ATOM 491 CE2 TYR A 31 3.884 -16.672 29.970 1.00 5.02 C ATOM 492 CZ TYR A 31 3.646 -15.954 31.122 1.00 73.42 C ATOM 493 OH TYR A 31 3.452 -14.591 31.053 1.00 53.11 O ATOM 0 H TYR A 31 6.177 -20.013 29.736 1.00 55.42 H new ATOM 0 HA TYR A 31 5.970 -20.236 32.610 1.00 52.01 H new ATOM 0 HB2 TYR A 31 3.936 -20.642 30.370 1.00 73.21 H new ATOM 0 HB3 TYR A 31 3.541 -20.615 32.077 1.00 73.21 H new ATOM 0 HD1 TYR A 31 3.761 -18.456 33.369 1.00 52.54 H new ATOM 0 HD2 TYR A 31 4.254 -18.597 29.137 1.00 70.10 H new ATOM 0 HE1 TYR A 31 3.412 -16.028 33.244 1.00 31.25 H new ATOM 0 HE2 TYR A 31 3.923 -16.169 29.015 1.00 5.02 H new ATOM 0 HH TYR A 31 3.517 -14.298 30.120 1.00 53.11 H new ATOM 503 N ARG A 32 4.978 -22.721 32.832 1.00 51.42 N ATOM 504 CA ARG A 32 4.818 -24.171 33.018 1.00 31.20 C ATOM 505 C ARG A 32 3.375 -24.602 32.723 1.00 63.03 C ATOM 506 O ARG A 32 2.448 -23.801 32.851 1.00 54.25 O ATOM 507 CB ARG A 32 5.208 -24.593 34.449 1.00 41.52 C ATOM 508 CG ARG A 32 6.693 -24.419 34.782 1.00 33.43 C ATOM 509 CD ARG A 32 7.082 -22.957 34.976 1.00 21.14 C ATOM 510 NE ARG A 32 8.509 -22.800 35.248 1.00 12.24 N ATOM 511 CZ ARG A 32 9.059 -21.692 35.662 1.00 62.24 C ATOM 512 NH1 ARG A 32 8.337 -20.644 35.881 1.00 73.44 N ATOM 513 NH2 ARG A 32 10.335 -21.639 35.863 1.00 51.21 N ATOM 0 H ARG A 32 4.537 -22.154 33.556 1.00 51.42 H new ATOM 0 HA ARG A 32 5.486 -24.669 32.315 1.00 31.20 H new ATOM 0 HB2 ARG A 32 4.619 -24.011 35.158 1.00 41.52 H new ATOM 0 HB3 ARG A 32 4.937 -25.639 34.592 1.00 41.52 H new ATOM 0 HG2 ARG A 32 6.926 -24.977 35.689 1.00 33.43 H new ATOM 0 HG3 ARG A 32 7.294 -24.848 33.980 1.00 33.43 H new ATOM 0 HD2 ARG A 32 6.819 -22.391 34.083 1.00 21.14 H new ATOM 0 HD3 ARG A 32 6.508 -22.536 35.801 1.00 21.14 H new ATOM 0 HE ARG A 32 9.114 -23.609 35.105 1.00 12.24 H new ATOM 0 HH11 ARG A 32 7.329 -20.679 35.730 1.00 73.44 H new ATOM 0 HH12 ARG A 32 8.775 -19.782 36.205 1.00 73.44 H new ATOM 0 HH21 ARG A 32 10.912 -22.464 35.698 1.00 51.21 H new ATOM 0 HH22 ARG A 32 10.765 -20.772 36.187 1.00 51.21 H new ATOM 527 N PRO A 33 3.166 -25.871 32.306 1.00 34.11 N ATOM 528 CA PRO A 33 1.819 -26.421 32.079 1.00 65.22 C ATOM 529 C PRO A 33 0.947 -26.370 33.339 1.00 53.14 C ATOM 530 O PRO A 33 0.783 -27.359 34.057 1.00 64.15 O ATOM 531 CB PRO A 33 2.071 -27.868 31.645 1.00 32.30 C ATOM 532 CG PRO A 33 3.489 -27.888 31.187 1.00 44.33 C ATOM 533 CD PRO A 33 4.216 -26.857 32.005 1.00 10.31 C ATOM 0 HA PRO A 33 1.271 -25.843 31.335 1.00 65.22 H new ATOM 0 HB2 PRO A 33 1.912 -28.562 32.471 1.00 32.30 H new ATOM 0 HB3 PRO A 33 1.393 -28.165 30.845 1.00 32.30 H new ATOM 0 HG2 PRO A 33 3.928 -28.876 31.328 1.00 44.33 H new ATOM 0 HG3 PRO A 33 3.557 -27.658 30.124 1.00 44.33 H new ATOM 0 HD2 PRO A 33 4.638 -27.287 32.913 1.00 10.31 H new ATOM 0 HD3 PRO A 33 5.041 -26.411 31.450 1.00 10.31 H new ATOM 541 N GLY A 34 0.434 -25.187 33.608 1.00 45.03 N ATOM 542 CA GLY A 34 -0.444 -24.976 34.753 1.00 15.21 C ATOM 543 C GLY A 34 -0.588 -23.507 35.146 1.00 32.24 C ATOM 544 O GLY A 34 -1.527 -23.141 35.858 1.00 3.42 O ATOM 0 H GLY A 34 0.608 -24.351 33.050 1.00 45.03 H new ATOM 0 HA2 GLY A 34 -1.430 -25.381 34.525 1.00 15.21 H new ATOM 0 HA3 GLY A 34 -0.058 -25.536 35.605 1.00 15.21 H new ATOM 548 N ASP A 35 0.339 -22.662 34.685 1.00 11.55 N ATOM 549 CA ASP A 35 0.335 -21.231 35.032 1.00 11.44 C ATOM 550 C ASP A 35 -0.595 -20.398 34.133 1.00 14.01 C ATOM 551 O ASP A 35 -0.910 -20.778 33.002 1.00 53.03 O ATOM 552 CB ASP A 35 1.754 -20.659 34.944 1.00 54.20 C ATOM 553 CG ASP A 35 2.692 -21.257 35.972 1.00 4.22 C ATOM 554 OD1 ASP A 35 2.407 -21.135 37.183 1.00 40.31 O ATOM 555 OD2 ASP A 35 3.735 -21.822 35.581 1.00 12.33 O ATOM 0 H ASP A 35 1.104 -22.941 34.070 1.00 11.55 H new ATOM 0 HA ASP A 35 -0.042 -21.165 36.053 1.00 11.44 H new ATOM 0 HB2 ASP A 35 2.153 -20.840 33.946 1.00 54.20 H new ATOM 0 HB3 ASP A 35 1.714 -19.578 35.080 1.00 54.20 H new ATOM 560 N ILE A 36 -1.013 -19.247 34.660 1.00 34.02 N ATOM 561 CA ILE A 36 -1.783 -18.262 33.898 1.00 31.53 C ATOM 562 C ILE A 36 -0.849 -17.179 33.330 1.00 33.24 C ATOM 563 O ILE A 36 0.024 -16.672 34.037 1.00 2.22 O ATOM 564 CB ILE A 36 -2.870 -17.594 34.783 1.00 13.13 C ATOM 565 CG1 ILE A 36 -3.812 -18.656 35.377 1.00 75.51 C ATOM 566 CG2 ILE A 36 -3.661 -16.557 33.986 1.00 2.34 C ATOM 567 CD1 ILE A 36 -4.555 -19.475 34.341 1.00 43.22 C ATOM 0 H ILE A 36 -0.828 -18.971 35.624 1.00 34.02 H new ATOM 0 HA ILE A 36 -2.275 -18.786 33.078 1.00 31.53 H new ATOM 0 HB ILE A 36 -2.370 -17.080 35.604 1.00 13.13 H new ATOM 0 HG12 ILE A 36 -3.231 -19.329 36.008 1.00 75.51 H new ATOM 0 HG13 ILE A 36 -4.538 -18.162 36.022 1.00 75.51 H new ATOM 0 HG21 ILE A 36 -4.416 -16.103 34.628 1.00 2.34 H new ATOM 0 HG22 ILE A 36 -2.984 -15.785 33.621 1.00 2.34 H new ATOM 0 HG23 ILE A 36 -4.148 -17.042 33.140 1.00 2.34 H new ATOM 0 HD11 ILE A 36 -5.197 -20.200 34.842 1.00 43.22 H new ATOM 0 HD12 ILE A 36 -5.165 -18.815 33.725 1.00 43.22 H new ATOM 0 HD13 ILE A 36 -3.838 -20.000 33.710 1.00 43.22 H new ATOM 579 N VAL A 37 -1.030 -16.835 32.059 1.00 63.43 N ATOM 580 CA VAL A 37 -0.172 -15.850 31.391 1.00 3.03 C ATOM 581 C VAL A 37 -0.306 -14.444 32.016 1.00 4.21 C ATOM 582 O VAL A 37 -1.407 -14.010 32.366 1.00 44.22 O ATOM 583 CB VAL A 37 -0.489 -15.781 29.874 1.00 12.24 C ATOM 584 CG1 VAL A 37 0.438 -14.798 29.163 1.00 4.23 C ATOM 585 CG2 VAL A 37 -0.389 -17.169 29.242 1.00 73.43 C ATOM 0 H VAL A 37 -1.764 -17.222 31.466 1.00 63.43 H new ATOM 0 HA VAL A 37 0.857 -16.183 31.529 1.00 3.03 H new ATOM 0 HB VAL A 37 -1.511 -15.421 29.759 1.00 12.24 H new ATOM 0 HG11 VAL A 37 0.193 -14.770 28.101 1.00 4.23 H new ATOM 0 HG12 VAL A 37 0.311 -13.804 29.591 1.00 4.23 H new ATOM 0 HG13 VAL A 37 1.472 -15.118 29.288 1.00 4.23 H new ATOM 0 HG21 VAL A 37 -0.615 -17.101 28.178 1.00 73.43 H new ATOM 0 HG22 VAL A 37 0.621 -17.557 29.375 1.00 73.43 H new ATOM 0 HG23 VAL A 37 -1.102 -17.840 29.722 1.00 73.43 H new ATOM 595 N SER A 38 0.827 -13.747 32.153 1.00 33.44 N ATOM 596 CA SER A 38 0.863 -12.390 32.730 1.00 64.54 C ATOM 597 C SER A 38 -0.059 -11.409 31.987 1.00 55.20 C ATOM 598 O SER A 38 -0.504 -11.674 30.871 1.00 62.33 O ATOM 599 CB SER A 38 2.300 -11.851 32.718 1.00 14.31 C ATOM 600 OG SER A 38 2.354 -10.479 33.096 1.00 51.24 O ATOM 0 H SER A 38 1.741 -14.100 31.871 1.00 33.44 H new ATOM 0 HA SER A 38 0.500 -12.470 33.755 1.00 64.54 H new ATOM 0 HB2 SER A 38 2.915 -12.440 33.399 1.00 14.31 H new ATOM 0 HB3 SER A 38 2.725 -11.970 31.721 1.00 14.31 H new ATOM 0 HG SER A 38 3.284 -10.171 33.079 1.00 51.24 H new ATOM 606 N THR A 39 -0.324 -10.265 32.615 1.00 1.22 N ATOM 607 CA THR A 39 -1.245 -9.256 32.066 1.00 33.42 C ATOM 608 C THR A 39 -0.811 -8.757 30.677 1.00 1.03 C ATOM 609 O THR A 39 -1.573 -8.838 29.712 1.00 52.14 O ATOM 610 CB THR A 39 -1.375 -8.036 33.016 1.00 34.33 C ATOM 611 OG1 THR A 39 -1.846 -8.456 34.309 1.00 44.25 O ATOM 612 CG2 THR A 39 -2.327 -6.984 32.446 1.00 1.22 C ATOM 0 H THR A 39 0.087 -10.007 33.512 1.00 1.22 H new ATOM 0 HA THR A 39 -2.210 -9.754 31.970 1.00 33.42 H new ATOM 0 HB THR A 39 -0.385 -7.590 33.115 1.00 34.33 H new ATOM 0 HG1 THR A 39 -1.922 -7.677 34.899 1.00 44.25 H new ATOM 0 HG21 THR A 39 -2.395 -6.143 33.136 1.00 1.22 H new ATOM 0 HG22 THR A 39 -1.950 -6.635 31.485 1.00 1.22 H new ATOM 0 HG23 THR A 39 -3.315 -7.423 32.310 1.00 1.22 H new ATOM 620 N VAL A 40 0.416 -8.246 30.579 1.00 14.13 N ATOM 621 CA VAL A 40 0.916 -7.678 29.319 1.00 33.23 C ATOM 622 C VAL A 40 1.024 -8.751 28.220 1.00 34.12 C ATOM 623 O VAL A 40 0.558 -8.555 27.092 1.00 44.31 O ATOM 624 CB VAL A 40 2.296 -7.004 29.516 1.00 73.34 C ATOM 625 CG1 VAL A 40 2.770 -6.340 28.224 1.00 45.42 C ATOM 626 CG2 VAL A 40 2.248 -5.991 30.661 1.00 41.43 C ATOM 0 H VAL A 40 1.082 -8.212 31.351 1.00 14.13 H new ATOM 0 HA VAL A 40 0.194 -6.925 29.004 1.00 33.23 H new ATOM 0 HB VAL A 40 3.015 -7.780 29.779 1.00 73.34 H new ATOM 0 HG11 VAL A 40 3.741 -5.874 28.390 1.00 45.42 H new ATOM 0 HG12 VAL A 40 2.857 -7.092 27.439 1.00 45.42 H new ATOM 0 HG13 VAL A 40 2.050 -5.580 27.920 1.00 45.42 H new ATOM 0 HG21 VAL A 40 3.229 -5.530 30.781 1.00 41.43 H new ATOM 0 HG22 VAL A 40 1.511 -5.221 30.435 1.00 41.43 H new ATOM 0 HG23 VAL A 40 1.971 -6.499 31.585 1.00 41.43 H new ATOM 636 N ASP A 41 1.635 -9.883 28.562 1.00 10.21 N ATOM 637 CA ASP A 41 1.772 -11.011 27.634 1.00 15.32 C ATOM 638 C ASP A 41 0.390 -11.580 27.240 1.00 41.45 C ATOM 639 O ASP A 41 0.178 -12.012 26.106 1.00 12.12 O ATOM 640 CB ASP A 41 2.632 -12.102 28.283 1.00 33.20 C ATOM 641 CG ASP A 41 3.901 -11.537 28.897 1.00 73.14 C ATOM 642 OD1 ASP A 41 3.834 -11.013 30.028 1.00 62.13 O ATOM 643 OD2 ASP A 41 4.965 -11.598 28.249 1.00 61.31 O ATOM 0 H ASP A 41 2.047 -10.047 29.481 1.00 10.21 H new ATOM 0 HA ASP A 41 2.257 -10.658 26.724 1.00 15.32 H new ATOM 0 HB2 ASP A 41 2.052 -12.610 29.053 1.00 33.20 H new ATOM 0 HB3 ASP A 41 2.893 -12.850 27.535 1.00 33.20 H new ATOM 648 N GLY A 42 -0.542 -11.570 28.193 1.00 24.33 N ATOM 649 CA GLY A 42 -1.910 -12.003 27.926 1.00 2.11 C ATOM 650 C GLY A 42 -2.628 -11.083 26.947 1.00 34.51 C ATOM 651 O GLY A 42 -3.337 -11.546 26.054 1.00 23.33 O ATOM 0 H GLY A 42 -0.374 -11.268 29.153 1.00 24.33 H new ATOM 0 HA2 GLY A 42 -1.896 -13.016 27.525 1.00 2.11 H new ATOM 0 HA3 GLY A 42 -2.467 -12.038 28.862 1.00 2.11 H new ATOM 655 N ALA A 43 -2.439 -9.772 27.117 1.00 32.43 N ATOM 656 CA ALA A 43 -2.987 -8.778 26.188 1.00 34.13 C ATOM 657 C ALA A 43 -2.471 -9.019 24.760 1.00 42.42 C ATOM 658 O ALA A 43 -3.200 -8.842 23.780 1.00 62.42 O ATOM 659 CB ALA A 43 -2.634 -7.368 26.652 1.00 53.43 C ATOM 0 H ALA A 43 -1.909 -9.372 27.892 1.00 32.43 H new ATOM 0 HA ALA A 43 -4.072 -8.881 26.178 1.00 34.13 H new ATOM 0 HB1 ALA A 43 -3.047 -6.641 25.953 1.00 53.43 H new ATOM 0 HB2 ALA A 43 -3.052 -7.196 27.644 1.00 53.43 H new ATOM 0 HB3 ALA A 43 -1.550 -7.258 26.691 1.00 53.43 H new ATOM 665 N PHE A 44 -1.206 -9.429 24.658 1.00 74.44 N ATOM 666 CA PHE A 44 -0.615 -9.827 23.378 1.00 2.20 C ATOM 667 C PHE A 44 -1.414 -10.981 22.751 1.00 11.43 C ATOM 668 O PHE A 44 -1.759 -10.945 21.568 1.00 32.52 O ATOM 669 CB PHE A 44 0.850 -10.247 23.584 1.00 51.24 C ATOM 670 CG PHE A 44 1.572 -10.617 22.310 1.00 31.43 C ATOM 671 CD1 PHE A 44 1.537 -11.917 21.822 1.00 2.22 C ATOM 672 CD2 PHE A 44 2.286 -9.663 21.603 1.00 71.03 C ATOM 673 CE1 PHE A 44 2.197 -12.253 20.658 1.00 54.31 C ATOM 674 CE2 PHE A 44 2.949 -9.996 20.438 1.00 71.11 C ATOM 675 CZ PHE A 44 2.904 -11.292 19.965 1.00 42.33 C ATOM 0 H PHE A 44 -0.567 -9.495 25.451 1.00 74.44 H new ATOM 0 HA PHE A 44 -0.648 -8.975 22.699 1.00 2.20 H new ATOM 0 HB2 PHE A 44 1.386 -9.431 24.068 1.00 51.24 H new ATOM 0 HB3 PHE A 44 0.880 -11.097 24.266 1.00 51.24 H new ATOM 0 HD1 PHE A 44 0.986 -12.674 22.360 1.00 2.22 H new ATOM 0 HD2 PHE A 44 2.325 -8.647 21.967 1.00 71.03 H new ATOM 0 HE1 PHE A 44 2.160 -13.268 20.290 1.00 54.31 H new ATOM 0 HE2 PHE A 44 3.502 -9.243 19.897 1.00 71.11 H new ATOM 0 HZ PHE A 44 3.421 -11.553 19.054 1.00 42.33 H new ATOM 685 N LEU A 45 -1.707 -11.998 23.560 1.00 72.22 N ATOM 686 CA LEU A 45 -2.497 -13.152 23.116 1.00 21.14 C ATOM 687 C LEU A 45 -3.929 -12.753 22.718 1.00 12.31 C ATOM 688 O LEU A 45 -4.480 -13.290 21.758 1.00 74.12 O ATOM 689 CB LEU A 45 -2.534 -14.217 24.220 1.00 43.10 C ATOM 690 CG LEU A 45 -1.199 -14.930 24.483 1.00 73.23 C ATOM 691 CD1 LEU A 45 -1.288 -15.809 25.727 1.00 12.30 C ATOM 692 CD2 LEU A 45 -0.786 -15.758 23.266 1.00 60.31 C ATOM 0 H LEU A 45 -1.408 -12.048 24.534 1.00 72.22 H new ATOM 0 HA LEU A 45 -2.013 -13.561 22.229 1.00 21.14 H new ATOM 0 HB2 LEU A 45 -2.865 -13.747 25.146 1.00 43.10 H new ATOM 0 HB3 LEU A 45 -3.282 -14.965 23.957 1.00 43.10 H new ATOM 0 HG LEU A 45 -0.436 -14.172 24.659 1.00 73.23 H new ATOM 0 HD11 LEU A 45 -0.331 -16.303 25.892 1.00 12.30 H new ATOM 0 HD12 LEU A 45 -1.532 -15.192 26.592 1.00 12.30 H new ATOM 0 HD13 LEU A 45 -2.065 -16.561 25.587 1.00 12.30 H new ATOM 0 HD21 LEU A 45 0.162 -16.256 23.470 1.00 60.31 H new ATOM 0 HD22 LEU A 45 -1.552 -16.505 23.058 1.00 60.31 H new ATOM 0 HD23 LEU A 45 -0.673 -15.103 22.402 1.00 60.31 H new ATOM 704 N VAL A 46 -4.530 -11.822 23.462 1.00 24.51 N ATOM 705 CA VAL A 46 -5.867 -11.309 23.126 1.00 2.33 C ATOM 706 C VAL A 46 -5.900 -10.754 21.691 1.00 44.14 C ATOM 707 O VAL A 46 -6.781 -11.097 20.899 1.00 21.32 O ATOM 708 CB VAL A 46 -6.327 -10.206 24.119 1.00 53.12 C ATOM 709 CG1 VAL A 46 -7.679 -9.625 23.708 1.00 64.11 C ATOM 710 CG2 VAL A 46 -6.388 -10.746 25.548 1.00 2.40 C ATOM 0 H VAL A 46 -4.118 -11.407 24.298 1.00 24.51 H new ATOM 0 HA VAL A 46 -6.556 -12.150 23.202 1.00 2.33 H new ATOM 0 HB VAL A 46 -5.589 -9.404 24.088 1.00 53.12 H new ATOM 0 HG11 VAL A 46 -7.976 -8.856 24.421 1.00 64.11 H new ATOM 0 HG12 VAL A 46 -7.599 -9.187 22.713 1.00 64.11 H new ATOM 0 HG13 VAL A 46 -8.427 -10.417 23.697 1.00 64.11 H new ATOM 0 HG21 VAL A 46 -6.713 -9.954 26.223 1.00 2.40 H new ATOM 0 HG22 VAL A 46 -7.095 -11.574 25.594 1.00 2.40 H new ATOM 0 HG23 VAL A 46 -5.400 -11.095 25.847 1.00 2.40 H new ATOM 720 N GLU A 47 -4.930 -9.904 21.360 1.00 62.23 N ATOM 721 CA GLU A 47 -4.794 -9.378 19.997 1.00 51.21 C ATOM 722 C GLU A 47 -4.458 -10.492 18.995 1.00 22.31 C ATOM 723 O GLU A 47 -5.061 -10.580 17.923 1.00 44.43 O ATOM 724 CB GLU A 47 -3.713 -8.290 19.962 1.00 24.13 C ATOM 725 CG GLU A 47 -4.172 -6.946 20.519 1.00 75.22 C ATOM 726 CD GLU A 47 -5.115 -6.212 19.576 1.00 72.21 C ATOM 727 OE1 GLU A 47 -6.288 -6.619 19.455 1.00 35.54 O ATOM 728 OE2 GLU A 47 -4.683 -5.221 18.945 1.00 40.01 O ATOM 0 H GLU A 47 -4.226 -9.563 22.014 1.00 62.23 H new ATOM 0 HA GLU A 47 -5.751 -8.946 19.705 1.00 51.21 H new ATOM 0 HB2 GLU A 47 -2.848 -8.632 20.531 1.00 24.13 H new ATOM 0 HB3 GLU A 47 -3.383 -8.152 18.932 1.00 24.13 H new ATOM 0 HG2 GLU A 47 -4.671 -7.105 21.475 1.00 75.22 H new ATOM 0 HG3 GLU A 47 -3.300 -6.321 20.714 1.00 75.22 H new ATOM 735 N ALA A 48 -3.498 -11.343 19.353 1.00 22.22 N ATOM 736 CA ALA A 48 -3.110 -12.475 18.507 1.00 73.30 C ATOM 737 C ALA A 48 -4.313 -13.375 18.185 1.00 75.30 C ATOM 738 O ALA A 48 -4.382 -13.972 17.114 1.00 33.11 O ATOM 739 CB ALA A 48 -2.003 -13.283 19.178 1.00 34.31 C ATOM 0 H ALA A 48 -2.973 -11.272 20.224 1.00 22.22 H new ATOM 0 HA ALA A 48 -2.734 -12.075 17.565 1.00 73.30 H new ATOM 0 HB1 ALA A 48 -1.725 -14.121 18.538 1.00 34.31 H new ATOM 0 HB2 ALA A 48 -1.134 -12.645 19.339 1.00 34.31 H new ATOM 0 HB3 ALA A 48 -2.358 -13.661 20.137 1.00 34.31 H new ATOM 745 N LEU A 49 -5.252 -13.457 19.124 1.00 42.23 N ATOM 746 CA LEU A 49 -6.483 -14.237 18.949 1.00 63.12 C ATOM 747 C LEU A 49 -7.513 -13.491 18.081 1.00 52.20 C ATOM 748 O LEU A 49 -7.937 -13.997 17.041 1.00 41.34 O ATOM 749 CB LEU A 49 -7.084 -14.561 20.323 1.00 62.15 C ATOM 750 CG LEU A 49 -8.427 -15.312 20.311 1.00 20.44 C ATOM 751 CD1 LEU A 49 -8.307 -16.654 19.590 1.00 32.41 C ATOM 752 CD2 LEU A 49 -8.937 -15.501 21.738 1.00 25.01 C ATOM 0 H LEU A 49 -5.185 -12.987 20.027 1.00 42.23 H new ATOM 0 HA LEU A 49 -6.228 -15.161 18.431 1.00 63.12 H new ATOM 0 HB2 LEU A 49 -6.362 -15.156 20.882 1.00 62.15 H new ATOM 0 HB3 LEU A 49 -7.217 -13.627 20.869 1.00 62.15 H new ATOM 0 HG LEU A 49 -9.150 -14.710 19.760 1.00 20.44 H new ATOM 0 HD11 LEU A 49 -9.273 -17.160 19.599 1.00 32.41 H new ATOM 0 HD12 LEU A 49 -7.995 -16.487 18.559 1.00 32.41 H new ATOM 0 HD13 LEU A 49 -7.568 -17.274 20.097 1.00 32.41 H new ATOM 0 HD21 LEU A 49 -9.888 -16.034 21.717 1.00 25.01 H new ATOM 0 HD22 LEU A 49 -8.211 -16.078 22.311 1.00 25.01 H new ATOM 0 HD23 LEU A 49 -9.077 -14.527 22.206 1.00 25.01 H new ATOM 764 N LYS A 50 -7.890 -12.283 18.511 1.00 72.51 N ATOM 765 CA LYS A 50 -8.891 -11.456 17.807 1.00 41.53 C ATOM 766 C LYS A 50 -8.616 -11.334 16.298 1.00 32.50 C ATOM 767 O LYS A 50 -9.540 -11.210 15.495 1.00 72.31 O ATOM 768 CB LYS A 50 -8.932 -10.049 18.424 1.00 41.15 C ATOM 769 CG LYS A 50 -9.658 -9.962 19.765 1.00 21.43 C ATOM 770 CD LYS A 50 -9.518 -8.572 20.387 1.00 5.01 C ATOM 771 CE LYS A 50 -10.461 -8.372 21.568 1.00 12.33 C ATOM 772 NZ LYS A 50 -11.886 -8.316 21.145 1.00 42.54 N ATOM 0 H LYS A 50 -7.515 -11.847 19.353 1.00 72.51 H new ATOM 0 HA LYS A 50 -9.851 -11.959 17.926 1.00 41.53 H new ATOM 0 HB2 LYS A 50 -7.910 -9.695 18.556 1.00 41.15 H new ATOM 0 HB3 LYS A 50 -9.415 -9.372 17.720 1.00 41.15 H new ATOM 0 HG2 LYS A 50 -10.714 -10.195 19.625 1.00 21.43 H new ATOM 0 HG3 LYS A 50 -9.255 -10.710 20.448 1.00 21.43 H new ATOM 0 HD2 LYS A 50 -8.489 -8.425 20.717 1.00 5.01 H new ATOM 0 HD3 LYS A 50 -9.721 -7.815 19.630 1.00 5.01 H new ATOM 0 HE2 LYS A 50 -10.327 -9.186 22.280 1.00 12.33 H new ATOM 0 HE3 LYS A 50 -10.201 -7.449 22.086 1.00 12.33 H new ATOM 0 HZ1 LYS A 50 -12.466 -7.948 21.926 1.00 42.54 H new ATOM 0 HZ2 LYS A 50 -11.979 -7.690 20.320 1.00 42.54 H new ATOM 0 HZ3 LYS A 50 -12.211 -9.271 20.893 1.00 42.54 H new ATOM 786 N ARG A 51 -7.343 -11.372 15.918 1.00 72.23 N ATOM 787 CA ARG A 51 -6.949 -11.187 14.517 1.00 4.31 C ATOM 788 C ARG A 51 -6.990 -12.504 13.715 1.00 30.21 C ATOM 789 O ARG A 51 -6.360 -12.626 12.663 1.00 40.02 O ATOM 790 CB ARG A 51 -5.557 -10.544 14.462 1.00 21.22 C ATOM 791 CG ARG A 51 -5.505 -9.205 15.196 1.00 52.21 C ATOM 792 CD ARG A 51 -4.128 -8.559 15.155 1.00 52.24 C ATOM 793 NE ARG A 51 -4.077 -7.363 15.996 1.00 15.45 N ATOM 794 CZ ARG A 51 -3.347 -6.311 15.742 1.00 53.20 C ATOM 795 NH1 ARG A 51 -2.634 -6.240 14.668 1.00 3.21 N ATOM 796 NH2 ARG A 51 -3.342 -5.316 16.563 1.00 14.32 N ATOM 0 H ARG A 51 -6.563 -11.529 16.557 1.00 72.23 H new ATOM 0 HA ARG A 51 -7.673 -10.523 14.045 1.00 4.31 H new ATOM 0 HB2 ARG A 51 -4.828 -11.225 14.901 1.00 21.22 H new ATOM 0 HB3 ARG A 51 -5.269 -10.396 13.421 1.00 21.22 H new ATOM 0 HG2 ARG A 51 -6.233 -8.525 14.753 1.00 52.21 H new ATOM 0 HG3 ARG A 51 -5.800 -9.354 16.235 1.00 52.21 H new ATOM 0 HD2 ARG A 51 -3.378 -9.275 15.491 1.00 52.24 H new ATOM 0 HD3 ARG A 51 -3.878 -8.295 14.127 1.00 52.24 H new ATOM 0 HE ARG A 51 -4.651 -7.350 16.839 1.00 15.45 H new ATOM 0 HH11 ARG A 51 -2.636 -7.013 14.003 1.00 3.21 H new ATOM 0 HH12 ARG A 51 -2.069 -5.411 14.485 1.00 3.21 H new ATOM 0 HH21 ARG A 51 -3.908 -5.351 17.411 1.00 14.32 H new ATOM 0 HH22 ARG A 51 -2.772 -4.494 16.365 1.00 14.32 H new ATOM 810 N HIS A 52 -7.741 -13.488 14.214 1.00 32.13 N ATOM 811 CA HIS A 52 -8.030 -14.715 13.456 1.00 74.43 C ATOM 812 C HIS A 52 -9.520 -14.768 13.082 1.00 22.11 C ATOM 813 O HIS A 52 -10.371 -14.393 13.886 1.00 42.33 O ATOM 814 CB HIS A 52 -7.684 -15.972 14.270 1.00 71.04 C ATOM 815 CG HIS A 52 -6.263 -16.049 14.734 1.00 73.32 C ATOM 816 ND1 HIS A 52 -5.183 -15.971 13.886 1.00 51.31 N ATOM 817 CD2 HIS A 52 -5.750 -16.206 15.974 1.00 24.52 C ATOM 818 CE1 HIS A 52 -4.071 -16.078 14.582 1.00 31.02 C ATOM 819 NE2 HIS A 52 -4.381 -16.220 15.854 1.00 53.32 N ATOM 0 H HIS A 52 -8.163 -13.462 15.142 1.00 32.13 H new ATOM 0 HA HIS A 52 -7.415 -14.695 12.556 1.00 74.43 H new ATOM 0 HB2 HIS A 52 -8.338 -16.015 15.141 1.00 71.04 H new ATOM 0 HB3 HIS A 52 -7.901 -16.851 13.664 1.00 71.04 H new ATOM 0 HD2 HIS A 52 -6.312 -16.303 16.891 1.00 24.52 H new ATOM 0 HE1 HIS A 52 -3.070 -16.053 14.177 1.00 31.02 H new ATOM 0 HE2 HIS A 52 -3.717 -16.323 16.621 1.00 53.32 H new ATOM 828 N PRO A 53 -9.866 -15.236 11.866 1.00 35.22 N ATOM 829 CA PRO A 53 -11.276 -15.437 11.478 1.00 72.13 C ATOM 830 C PRO A 53 -11.960 -16.495 12.364 1.00 4.01 C ATOM 831 O PRO A 53 -13.135 -16.372 12.719 1.00 32.32 O ATOM 832 CB PRO A 53 -11.186 -15.911 10.017 1.00 11.14 C ATOM 833 CG PRO A 53 -9.791 -16.423 9.859 1.00 23.22 C ATOM 834 CD PRO A 53 -8.937 -15.590 10.777 1.00 72.04 C ATOM 0 HA PRO A 53 -11.875 -14.534 11.595 1.00 72.13 H new ATOM 0 HB2 PRO A 53 -11.918 -16.691 9.810 1.00 11.14 H new ATOM 0 HB3 PRO A 53 -11.387 -15.094 9.324 1.00 11.14 H new ATOM 0 HG2 PRO A 53 -9.731 -17.479 10.122 1.00 23.22 H new ATOM 0 HG3 PRO A 53 -9.457 -16.332 8.826 1.00 23.22 H new ATOM 0 HD2 PRO A 53 -8.077 -16.149 11.146 1.00 72.04 H new ATOM 0 HD3 PRO A 53 -8.549 -14.704 10.274 1.00 72.04 H new ATOM 842 N ASP A 54 -11.202 -17.529 12.719 1.00 22.10 N ATOM 843 CA ASP A 54 -11.671 -18.583 13.624 1.00 53.41 C ATOM 844 C ASP A 54 -11.406 -18.213 15.096 1.00 51.02 C ATOM 845 O ASP A 54 -10.778 -18.976 15.840 1.00 54.11 O ATOM 846 CB ASP A 54 -10.970 -19.903 13.284 1.00 5.34 C ATOM 847 CG ASP A 54 -11.304 -20.398 11.889 1.00 74.35 C ATOM 848 OD1 ASP A 54 -11.030 -19.670 10.912 1.00 55.41 O ATOM 849 OD2 ASP A 54 -11.856 -21.510 11.764 1.00 71.24 O ATOM 0 H ASP A 54 -10.246 -17.663 12.390 1.00 22.10 H new ATOM 0 HA ASP A 54 -12.747 -18.694 13.492 1.00 53.41 H new ATOM 0 HB2 ASP A 54 -9.892 -19.770 13.370 1.00 5.34 H new ATOM 0 HB3 ASP A 54 -11.257 -20.661 14.013 1.00 5.34 H new ATOM 854 N ALA A 55 -11.882 -17.041 15.511 1.00 41.03 N ATOM 855 CA ALA A 55 -11.692 -16.569 16.891 1.00 0.20 C ATOM 856 C ALA A 55 -13.015 -16.156 17.555 1.00 74.53 C ATOM 857 O ALA A 55 -13.239 -16.446 18.726 1.00 43.22 O ATOM 858 CB ALA A 55 -10.711 -15.403 16.914 1.00 34.03 C ATOM 0 H ALA A 55 -12.403 -16.397 14.916 1.00 41.03 H new ATOM 0 HA ALA A 55 -11.287 -17.402 17.465 1.00 0.20 H new ATOM 0 HB1 ALA A 55 -10.577 -15.061 17.940 1.00 34.03 H new ATOM 0 HB2 ALA A 55 -9.751 -15.727 16.511 1.00 34.03 H new ATOM 0 HB3 ALA A 55 -11.102 -14.586 16.307 1.00 34.03 H new ATOM 864 N THR A 56 -13.887 -15.493 16.794 1.00 71.31 N ATOM 865 CA THR A 56 -15.154 -14.943 17.318 1.00 73.43 C ATOM 866 C THR A 56 -15.914 -15.917 18.236 1.00 32.02 C ATOM 867 O THR A 56 -16.331 -15.549 19.337 1.00 42.44 O ATOM 868 CB THR A 56 -16.098 -14.498 16.169 1.00 44.33 C ATOM 869 OG1 THR A 56 -17.387 -14.144 16.694 1.00 4.35 O ATOM 870 CG2 THR A 56 -16.255 -15.594 15.115 1.00 15.24 C ATOM 0 H THR A 56 -13.743 -15.319 15.799 1.00 71.31 H new ATOM 0 HA THR A 56 -14.861 -14.080 17.916 1.00 73.43 H new ATOM 0 HB THR A 56 -15.648 -13.628 15.691 1.00 44.33 H new ATOM 0 HG1 THR A 56 -17.973 -13.864 15.960 1.00 4.35 H new ATOM 0 HG21 THR A 56 -16.923 -15.247 14.326 1.00 15.24 H new ATOM 0 HG22 THR A 56 -15.280 -15.830 14.688 1.00 15.24 H new ATOM 0 HG23 THR A 56 -16.674 -16.487 15.578 1.00 15.24 H new ATOM 878 N SER A 57 -16.080 -17.161 17.791 1.00 73.12 N ATOM 879 CA SER A 57 -16.813 -18.175 18.570 1.00 43.42 C ATOM 880 C SER A 57 -15.985 -18.679 19.760 1.00 51.30 C ATOM 881 O SER A 57 -16.532 -19.118 20.774 1.00 14.11 O ATOM 882 CB SER A 57 -17.204 -19.357 17.673 1.00 14.13 C ATOM 883 OG SER A 57 -16.058 -20.002 17.140 1.00 74.43 O ATOM 0 H SER A 57 -15.720 -17.497 16.898 1.00 73.12 H new ATOM 0 HA SER A 57 -17.714 -17.702 18.959 1.00 43.42 H new ATOM 0 HB2 SER A 57 -17.792 -20.073 18.247 1.00 14.13 H new ATOM 0 HB3 SER A 57 -17.837 -19.004 16.859 1.00 14.13 H new ATOM 0 HG SER A 57 -16.338 -20.752 16.574 1.00 74.43 H new ATOM 889 N LYS A 58 -14.663 -18.606 19.629 1.00 0.31 N ATOM 890 CA LYS A 58 -13.747 -19.023 20.696 1.00 71.13 C ATOM 891 C LYS A 58 -13.650 -17.952 21.794 1.00 11.24 C ATOM 892 O LYS A 58 -13.433 -18.269 22.962 1.00 33.44 O ATOM 893 CB LYS A 58 -12.356 -19.316 20.115 1.00 24.05 C ATOM 894 CG LYS A 58 -12.355 -20.432 19.072 1.00 71.11 C ATOM 895 CD LYS A 58 -10.947 -20.732 18.562 1.00 43.44 C ATOM 896 CE LYS A 58 -10.933 -21.892 17.569 1.00 2.32 C ATOM 897 NZ LYS A 58 -11.770 -21.611 16.370 1.00 41.52 N ATOM 0 H LYS A 58 -14.196 -18.260 18.790 1.00 0.31 H new ATOM 0 HA LYS A 58 -14.143 -19.933 21.147 1.00 71.13 H new ATOM 0 HB2 LYS A 58 -11.961 -18.406 19.663 1.00 24.05 H new ATOM 0 HB3 LYS A 58 -11.681 -19.588 20.927 1.00 24.05 H new ATOM 0 HG2 LYS A 58 -12.784 -21.335 19.506 1.00 71.11 H new ATOM 0 HG3 LYS A 58 -12.992 -20.147 18.234 1.00 71.11 H new ATOM 0 HD2 LYS A 58 -10.537 -19.842 18.085 1.00 43.44 H new ATOM 0 HD3 LYS A 58 -10.299 -20.969 19.406 1.00 43.44 H new ATOM 0 HE2 LYS A 58 -9.907 -22.089 17.257 1.00 2.32 H new ATOM 0 HE3 LYS A 58 -11.296 -22.794 18.061 1.00 2.32 H new ATOM 0 HZ1 LYS A 58 -11.492 -22.247 15.596 1.00 41.52 H new ATOM 0 HZ2 LYS A 58 -12.772 -21.765 16.602 1.00 41.52 H new ATOM 0 HZ3 LYS A 58 -11.631 -20.624 16.073 1.00 41.52 H new ATOM 911 N ILE A 59 -13.821 -16.692 21.409 1.00 23.13 N ATOM 912 CA ILE A 59 -13.809 -15.573 22.356 1.00 2.12 C ATOM 913 C ILE A 59 -15.154 -15.453 23.091 1.00 40.03 C ATOM 914 O ILE A 59 -15.202 -15.343 24.320 1.00 41.14 O ATOM 915 CB ILE A 59 -13.510 -14.236 21.630 1.00 31.22 C ATOM 916 CG1 ILE A 59 -12.168 -14.323 20.882 1.00 71.22 C ATOM 917 CG2 ILE A 59 -13.500 -13.069 22.619 1.00 3.24 C ATOM 918 CD1 ILE A 59 -11.831 -13.090 20.067 1.00 20.51 C ATOM 0 H ILE A 59 -13.971 -16.414 20.439 1.00 23.13 H new ATOM 0 HA ILE A 59 -13.021 -15.775 23.082 1.00 2.12 H new ATOM 0 HB ILE A 59 -14.302 -14.056 20.904 1.00 31.22 H new ATOM 0 HG12 ILE A 59 -11.372 -14.495 21.606 1.00 71.22 H new ATOM 0 HG13 ILE A 59 -12.189 -15.188 20.220 1.00 71.22 H new ATOM 0 HG21 ILE A 59 -13.288 -12.142 22.086 1.00 3.24 H new ATOM 0 HG22 ILE A 59 -14.473 -12.994 23.104 1.00 3.24 H new ATOM 0 HG23 ILE A 59 -12.731 -13.238 23.373 1.00 3.24 H new ATOM 0 HD11 ILE A 59 -10.871 -13.233 19.572 1.00 20.51 H new ATOM 0 HD12 ILE A 59 -12.605 -12.927 19.317 1.00 20.51 H new ATOM 0 HD13 ILE A 59 -11.775 -12.223 20.725 1.00 20.51 H new ATOM 930 N GLY A 60 -16.245 -15.477 22.329 1.00 51.34 N ATOM 931 CA GLY A 60 -17.574 -15.335 22.914 1.00 24.12 C ATOM 932 C GLY A 60 -17.804 -13.955 23.535 1.00 12.21 C ATOM 933 O GLY A 60 -17.580 -12.934 22.875 1.00 22.45 O ATOM 0 H GLY A 60 -16.235 -15.592 21.316 1.00 51.34 H new ATOM 0 HA2 GLY A 60 -18.326 -15.512 22.145 1.00 24.12 H new ATOM 0 HA3 GLY A 60 -17.713 -16.100 23.678 1.00 24.12 H new ATOM 937 N PRO A 61 -18.255 -13.885 24.804 1.00 72.33 N ATOM 938 CA PRO A 61 -18.458 -12.602 25.504 1.00 64.33 C ATOM 939 C PRO A 61 -17.136 -11.931 25.930 1.00 33.43 C ATOM 940 O PRO A 61 -17.125 -10.771 26.345 1.00 34.43 O ATOM 941 CB PRO A 61 -19.287 -13.004 26.732 1.00 31.01 C ATOM 942 CG PRO A 61 -18.900 -14.421 26.996 1.00 21.04 C ATOM 943 CD PRO A 61 -18.626 -15.039 25.648 1.00 43.14 C ATOM 0 HA PRO A 61 -18.941 -11.863 24.865 1.00 64.33 H new ATOM 0 HB2 PRO A 61 -19.065 -12.366 27.587 1.00 31.01 H new ATOM 0 HB3 PRO A 61 -20.356 -12.914 26.536 1.00 31.01 H new ATOM 0 HG2 PRO A 61 -18.018 -14.471 27.634 1.00 21.04 H new ATOM 0 HG3 PRO A 61 -19.698 -14.953 27.513 1.00 21.04 H new ATOM 0 HD2 PRO A 61 -17.821 -15.773 25.700 1.00 43.14 H new ATOM 0 HD3 PRO A 61 -19.503 -15.555 25.258 1.00 43.14 H new ATOM 951 N GLY A 62 -16.026 -12.665 25.838 1.00 64.51 N ATOM 952 CA GLY A 62 -14.725 -12.102 26.196 1.00 64.10 C ATOM 953 C GLY A 62 -13.763 -13.112 26.814 1.00 3.01 C ATOM 954 O GLY A 62 -14.166 -14.194 27.253 1.00 40.31 O ATOM 0 H GLY A 62 -16.001 -13.635 25.524 1.00 64.51 H new ATOM 0 HA2 GLY A 62 -14.266 -11.677 25.303 1.00 64.10 H new ATOM 0 HA3 GLY A 62 -14.876 -11.282 26.898 1.00 64.10 H new ATOM 958 N VAL A 63 -12.483 -12.744 26.858 1.00 52.52 N ATOM 959 CA VAL A 63 -11.434 -13.607 27.410 1.00 33.43 C ATOM 960 C VAL A 63 -11.143 -13.254 28.875 1.00 42.45 C ATOM 961 O VAL A 63 -10.818 -12.111 29.196 1.00 73.43 O ATOM 962 CB VAL A 63 -10.121 -13.488 26.591 1.00 74.14 C ATOM 963 CG1 VAL A 63 -9.024 -14.378 27.175 1.00 54.45 C ATOM 964 CG2 VAL A 63 -10.369 -13.826 25.121 1.00 62.54 C ATOM 0 H VAL A 63 -12.143 -11.846 26.515 1.00 52.52 H new ATOM 0 HA VAL A 63 -11.801 -14.632 27.352 1.00 33.43 H new ATOM 0 HB VAL A 63 -9.780 -12.455 26.652 1.00 74.14 H new ATOM 0 HG11 VAL A 63 -8.116 -14.274 26.581 1.00 54.45 H new ATOM 0 HG12 VAL A 63 -8.821 -14.078 28.203 1.00 54.45 H new ATOM 0 HG13 VAL A 63 -9.351 -15.418 27.158 1.00 54.45 H new ATOM 0 HG21 VAL A 63 -9.436 -13.736 24.565 1.00 62.54 H new ATOM 0 HG22 VAL A 63 -10.743 -14.847 25.040 1.00 62.54 H new ATOM 0 HG23 VAL A 63 -11.105 -13.136 24.708 1.00 62.54 H new ATOM 974 N ARG A 64 -11.249 -14.242 29.758 1.00 32.21 N ATOM 975 CA ARG A 64 -10.996 -14.033 31.186 1.00 43.43 C ATOM 976 C ARG A 64 -9.491 -14.177 31.491 1.00 41.11 C ATOM 977 O ARG A 64 -8.885 -13.309 32.125 1.00 64.13 O ATOM 978 CB ARG A 64 -11.837 -15.033 32.007 1.00 44.33 C ATOM 979 CG ARG A 64 -12.058 -14.657 33.475 1.00 31.24 C ATOM 980 CD ARG A 64 -10.813 -14.863 34.329 1.00 63.22 C ATOM 981 NE ARG A 64 -11.090 -14.666 35.750 1.00 11.34 N ATOM 982 CZ ARG A 64 -10.791 -15.532 36.681 1.00 73.24 C ATOM 983 NH1 ARG A 64 -10.198 -16.645 36.379 1.00 73.03 N ATOM 984 NH2 ARG A 64 -11.086 -15.280 37.914 1.00 21.20 N ATOM 0 H ARG A 64 -11.508 -15.198 29.513 1.00 32.21 H new ATOM 0 HA ARG A 64 -11.291 -13.022 31.466 1.00 43.43 H new ATOM 0 HB2 ARG A 64 -12.810 -15.143 31.528 1.00 44.33 H new ATOM 0 HB3 ARG A 64 -11.351 -16.008 31.969 1.00 44.33 H new ATOM 0 HG2 ARG A 64 -12.367 -13.613 33.536 1.00 31.24 H new ATOM 0 HG3 ARG A 64 -12.874 -15.255 33.880 1.00 31.24 H new ATOM 0 HD2 ARG A 64 -10.426 -15.870 34.170 1.00 63.22 H new ATOM 0 HD3 ARG A 64 -10.035 -14.169 34.011 1.00 63.22 H new ATOM 0 HE ARG A 64 -11.545 -13.798 36.033 1.00 11.34 H new ATOM 0 HH11 ARG A 64 -9.961 -16.850 35.408 1.00 73.03 H new ATOM 0 HH12 ARG A 64 -9.968 -17.316 37.112 1.00 73.03 H new ATOM 0 HH21 ARG A 64 -11.552 -14.406 38.159 1.00 21.20 H new ATOM 0 HH22 ARG A 64 -10.853 -15.955 38.642 1.00 21.20 H new ATOM 998 N ASN A 65 -8.893 -15.278 31.033 1.00 32.32 N ATOM 999 CA ASN A 65 -7.452 -15.505 31.210 1.00 43.34 C ATOM 1000 C ASN A 65 -6.917 -16.584 30.252 1.00 52.14 C ATOM 1001 O ASN A 65 -7.666 -17.429 29.769 1.00 15.41 O ATOM 1002 CB ASN A 65 -7.140 -15.894 32.666 1.00 61.22 C ATOM 1003 CG ASN A 65 -7.842 -17.170 33.105 1.00 31.10 C ATOM 1004 OD1 ASN A 65 -8.949 -17.137 33.628 1.00 55.32 O ATOM 1005 ND2 ASN A 65 -7.206 -18.306 32.898 1.00 33.22 N ATOM 0 H ASN A 65 -9.379 -16.026 30.538 1.00 32.32 H new ATOM 0 HA ASN A 65 -6.948 -14.568 30.972 1.00 43.34 H new ATOM 0 HB2 ASN A 65 -6.063 -16.021 32.779 1.00 61.22 H new ATOM 0 HB3 ASN A 65 -7.436 -15.078 33.325 1.00 61.22 H new ATOM 0 HD21 ASN A 65 -7.635 -19.189 33.176 1.00 33.22 H new ATOM 0 HD22 ASN A 65 -6.285 -18.302 32.460 1.00 33.22 H new ATOM 1012 N PHE A 66 -5.615 -16.538 29.974 1.00 4.33 N ATOM 1013 CA PHE A 66 -4.952 -17.574 29.172 1.00 3.34 C ATOM 1014 C PHE A 66 -4.138 -18.519 30.069 1.00 32.51 C ATOM 1015 O PHE A 66 -3.308 -18.073 30.861 1.00 55.41 O ATOM 1016 CB PHE A 66 -4.029 -16.944 28.118 1.00 70.11 C ATOM 1017 CG PHE A 66 -4.756 -16.241 26.998 1.00 1.22 C ATOM 1018 CD1 PHE A 66 -5.142 -16.937 25.858 1.00 42.03 C ATOM 1019 CD2 PHE A 66 -5.041 -14.886 27.077 1.00 34.33 C ATOM 1020 CE1 PHE A 66 -5.798 -16.295 24.825 1.00 53.05 C ATOM 1021 CE2 PHE A 66 -5.694 -14.240 26.046 1.00 4.15 C ATOM 1022 CZ PHE A 66 -6.074 -14.945 24.919 1.00 50.44 C ATOM 0 H PHE A 66 -4.994 -15.794 30.292 1.00 4.33 H new ATOM 0 HA PHE A 66 -5.729 -18.146 28.664 1.00 3.34 H new ATOM 0 HB2 PHE A 66 -3.368 -16.231 28.610 1.00 70.11 H new ATOM 0 HB3 PHE A 66 -3.397 -17.724 27.693 1.00 70.11 H new ATOM 0 HD1 PHE A 66 -4.927 -17.992 25.779 1.00 42.03 H new ATOM 0 HD2 PHE A 66 -4.749 -14.330 27.955 1.00 34.33 H new ATOM 0 HE1 PHE A 66 -6.094 -16.848 23.946 1.00 53.05 H new ATOM 0 HE2 PHE A 66 -5.908 -13.184 26.120 1.00 4.15 H new ATOM 0 HZ PHE A 66 -6.586 -14.441 24.113 1.00 50.44 H new ATOM 1032 N GLU A 67 -4.382 -19.819 29.947 1.00 22.42 N ATOM 1033 CA GLU A 67 -3.647 -20.823 30.728 1.00 51.53 C ATOM 1034 C GLU A 67 -2.687 -21.627 29.841 1.00 75.11 C ATOM 1035 O GLU A 67 -3.033 -22.015 28.725 1.00 24.21 O ATOM 1036 CB GLU A 67 -4.628 -21.780 31.420 1.00 23.32 C ATOM 1037 CG GLU A 67 -3.950 -22.863 32.261 1.00 31.12 C ATOM 1038 CD GLU A 67 -4.936 -23.859 32.853 1.00 24.52 C ATOM 1039 OE1 GLU A 67 -5.606 -23.518 33.848 1.00 54.32 O ATOM 1040 OE2 GLU A 67 -5.038 -24.992 32.330 1.00 52.24 O ATOM 0 H GLU A 67 -5.082 -20.208 29.316 1.00 22.42 H new ATOM 0 HA GLU A 67 -3.061 -20.294 31.480 1.00 51.53 H new ATOM 0 HB2 GLU A 67 -5.294 -21.201 32.060 1.00 23.32 H new ATOM 0 HB3 GLU A 67 -5.249 -22.258 30.662 1.00 23.32 H new ATOM 0 HG2 GLU A 67 -3.229 -23.398 31.643 1.00 31.12 H new ATOM 0 HG3 GLU A 67 -3.390 -22.391 33.068 1.00 31.12 H new ATOM 1047 N VAL A 68 -1.480 -21.869 30.340 1.00 53.02 N ATOM 1048 CA VAL A 68 -0.511 -22.717 29.641 1.00 31.22 C ATOM 1049 C VAL A 68 -0.707 -24.192 30.026 1.00 11.11 C ATOM 1050 O VAL A 68 -0.623 -24.554 31.202 1.00 21.33 O ATOM 1051 CB VAL A 68 0.947 -22.286 29.942 1.00 45.14 C ATOM 1052 CG1 VAL A 68 1.946 -23.206 29.237 1.00 73.15 C ATOM 1053 CG2 VAL A 68 1.164 -20.829 29.530 1.00 65.31 C ATOM 0 H VAL A 68 -1.145 -21.491 31.226 1.00 53.02 H new ATOM 0 HA VAL A 68 -0.687 -22.598 28.572 1.00 31.22 H new ATOM 0 HB VAL A 68 1.117 -22.371 31.015 1.00 45.14 H new ATOM 0 HG11 VAL A 68 2.962 -22.882 29.464 1.00 73.15 H new ATOM 0 HG12 VAL A 68 1.805 -24.230 29.584 1.00 73.15 H new ATOM 0 HG13 VAL A 68 1.784 -23.162 28.160 1.00 73.15 H new ATOM 0 HG21 VAL A 68 2.192 -20.539 29.747 1.00 65.31 H new ATOM 0 HG22 VAL A 68 0.974 -20.721 28.462 1.00 65.31 H new ATOM 0 HG23 VAL A 68 0.481 -20.188 30.087 1.00 65.31 H new ATOM 1063 N ARG A 69 -0.976 -25.038 29.036 1.00 40.45 N ATOM 1064 CA ARG A 69 -1.243 -26.461 29.280 1.00 32.13 C ATOM 1065 C ARG A 69 -0.496 -27.342 28.260 1.00 73.42 C ATOM 1066 O ARG A 69 -0.122 -26.873 27.183 1.00 52.05 O ATOM 1067 CB ARG A 69 -2.760 -26.711 29.206 1.00 63.44 C ATOM 1068 CG ARG A 69 -3.209 -28.073 29.724 1.00 42.41 C ATOM 1069 CD ARG A 69 -4.725 -28.236 29.639 1.00 60.45 C ATOM 1070 NE ARG A 69 -5.443 -27.191 30.375 1.00 1.34 N ATOM 1071 CZ ARG A 69 -6.740 -27.018 30.331 1.00 20.42 C ATOM 1072 NH1 ARG A 69 -7.492 -27.822 29.649 1.00 2.32 N ATOM 1073 NH2 ARG A 69 -7.285 -26.046 30.990 1.00 24.13 N ATOM 0 H ARG A 69 -1.016 -24.767 28.054 1.00 40.45 H new ATOM 0 HA ARG A 69 -0.881 -26.727 30.273 1.00 32.13 H new ATOM 0 HB2 ARG A 69 -3.270 -25.935 29.776 1.00 63.44 H new ATOM 0 HB3 ARG A 69 -3.081 -26.608 28.169 1.00 63.44 H new ATOM 0 HG2 ARG A 69 -2.725 -28.860 29.146 1.00 42.41 H new ATOM 0 HG3 ARG A 69 -2.887 -28.193 30.758 1.00 42.41 H new ATOM 0 HD2 ARG A 69 -5.032 -28.216 28.593 1.00 60.45 H new ATOM 0 HD3 ARG A 69 -5.005 -29.212 30.034 1.00 60.45 H new ATOM 0 HE ARG A 69 -4.897 -26.558 30.959 1.00 1.34 H new ATOM 0 HH11 ARG A 69 -7.075 -28.600 29.138 1.00 2.32 H new ATOM 0 HH12 ARG A 69 -8.501 -27.677 29.622 1.00 2.32 H new ATOM 0 HH21 ARG A 69 -6.704 -25.416 31.543 1.00 24.13 H new ATOM 0 HH22 ARG A 69 -8.295 -25.910 30.956 1.00 24.13 H new ATOM 1087 N SER A 70 -0.270 -28.613 28.602 1.00 32.43 N ATOM 1088 CA SER A 70 0.431 -29.545 27.704 1.00 61.00 C ATOM 1089 C SER A 70 -0.379 -29.802 26.423 1.00 2.31 C ATOM 1090 O SER A 70 -1.529 -30.232 26.483 1.00 14.30 O ATOM 1091 CB SER A 70 0.720 -30.875 28.420 1.00 33.23 C ATOM 1092 OG SER A 70 -0.466 -31.458 28.944 1.00 54.20 O ATOM 0 H SER A 70 -0.560 -29.023 29.490 1.00 32.43 H new ATOM 0 HA SER A 70 1.377 -29.082 27.423 1.00 61.00 H new ATOM 0 HB2 SER A 70 1.190 -31.569 27.723 1.00 33.23 H new ATOM 0 HB3 SER A 70 1.431 -30.706 29.229 1.00 33.23 H new ATOM 0 HG SER A 70 -1.220 -31.255 28.351 1.00 54.20 H new ATOM 1098 N ALA A 71 0.228 -29.532 25.266 1.00 62.54 N ATOM 1099 CA ALA A 71 -0.467 -29.648 23.976 1.00 2.12 C ATOM 1100 C ALA A 71 -0.581 -31.103 23.498 1.00 41.02 C ATOM 1101 O ALA A 71 -1.632 -31.732 23.629 1.00 13.22 O ATOM 1102 CB ALA A 71 0.240 -28.803 22.920 1.00 34.12 C ATOM 0 H ALA A 71 1.200 -29.231 25.192 1.00 62.54 H new ATOM 0 HA ALA A 71 -1.481 -29.277 24.124 1.00 2.12 H new ATOM 0 HB1 ALA A 71 -0.284 -28.897 21.969 1.00 34.12 H new ATOM 0 HB2 ALA A 71 0.242 -27.758 23.232 1.00 34.12 H new ATOM 0 HB3 ALA A 71 1.267 -29.149 22.805 1.00 34.12 H new ATOM 1108 N ASP A 72 0.509 -31.629 22.943 1.00 63.24 N ATOM 1109 CA ASP A 72 0.522 -32.983 22.385 1.00 61.21 C ATOM 1110 C ASP A 72 0.901 -34.019 23.459 1.00 42.21 C ATOM 1111 O ASP A 72 0.048 -34.750 23.968 1.00 31.02 O ATOM 1112 CB ASP A 72 1.504 -33.041 21.206 1.00 55.05 C ATOM 1113 CG ASP A 72 1.249 -31.935 20.195 1.00 33.24 C ATOM 1114 OD1 ASP A 72 0.315 -32.068 19.381 1.00 60.32 O ATOM 1115 OD2 ASP A 72 1.974 -30.919 20.216 1.00 52.13 O ATOM 0 H ASP A 72 1.399 -31.137 22.867 1.00 63.24 H new ATOM 0 HA ASP A 72 -0.479 -33.227 22.030 1.00 61.21 H new ATOM 0 HB2 ASP A 72 2.525 -32.961 21.580 1.00 55.05 H new ATOM 0 HB3 ASP A 72 1.420 -34.009 20.712 1.00 55.05 H new ATOM 1120 N TYR A 73 2.188 -34.068 23.800 1.00 11.45 N ATOM 1121 CA TYR A 73 2.688 -34.939 24.874 1.00 23.31 C ATOM 1122 C TYR A 73 3.670 -34.167 25.766 1.00 43.10 C ATOM 1123 O TYR A 73 3.309 -33.700 26.847 1.00 61.14 O ATOM 1124 CB TYR A 73 3.367 -36.191 24.292 1.00 60.12 C ATOM 1125 CG TYR A 73 2.425 -37.113 23.539 1.00 75.40 C ATOM 1126 CD1 TYR A 73 1.643 -38.039 24.218 1.00 15.03 C ATOM 1127 CD2 TYR A 73 2.324 -37.060 22.152 1.00 12.25 C ATOM 1128 CE1 TYR A 73 0.787 -38.883 23.540 1.00 70.51 C ATOM 1129 CE2 TYR A 73 1.469 -37.901 21.468 1.00 41.11 C ATOM 1130 CZ TYR A 73 0.704 -38.812 22.167 1.00 42.15 C ATOM 1131 OH TYR A 73 -0.147 -39.655 21.490 1.00 42.45 O ATOM 0 H TYR A 73 2.912 -33.511 23.346 1.00 11.45 H new ATOM 0 HA TYR A 73 1.840 -35.261 25.478 1.00 23.31 H new ATOM 0 HB2 TYR A 73 4.167 -35.879 23.620 1.00 60.12 H new ATOM 0 HB3 TYR A 73 3.833 -36.749 25.104 1.00 60.12 H new ATOM 0 HD1 TYR A 73 1.706 -38.099 25.294 1.00 15.03 H new ATOM 0 HD2 TYR A 73 2.924 -36.350 21.602 1.00 12.25 H new ATOM 0 HE1 TYR A 73 0.185 -39.596 24.084 1.00 70.51 H new ATOM 0 HE2 TYR A 73 1.399 -37.846 20.392 1.00 41.11 H new ATOM 0 HH TYR A 73 -0.088 -39.476 20.528 1.00 42.45 H new ATOM 1141 N GLY A 74 4.908 -34.014 25.295 1.00 64.31 N ATOM 1142 CA GLY A 74 5.892 -33.198 26.003 1.00 24.15 C ATOM 1143 C GLY A 74 5.998 -31.791 25.427 1.00 62.24 C ATOM 1144 O GLY A 74 7.094 -31.245 25.293 1.00 30.21 O ATOM 0 H GLY A 74 5.250 -34.441 24.434 1.00 64.31 H new ATOM 0 HA2 GLY A 74 5.620 -33.137 27.057 1.00 24.15 H new ATOM 0 HA3 GLY A 74 6.867 -33.683 25.953 1.00 24.15 H new ATOM 1148 N THR A 75 4.850 -31.206 25.080 1.00 65.14 N ATOM 1149 CA THR A 75 4.795 -29.864 24.477 1.00 24.40 C ATOM 1150 C THR A 75 3.758 -28.983 25.185 1.00 63.42 C ATOM 1151 O THR A 75 3.008 -29.454 26.039 1.00 42.30 O ATOM 1152 CB THR A 75 4.445 -29.925 22.968 1.00 53.55 C ATOM 1153 OG1 THR A 75 3.170 -30.556 22.780 1.00 24.14 O ATOM 1154 CG2 THR A 75 5.509 -30.682 22.180 1.00 42.11 C ATOM 0 H THR A 75 3.936 -31.641 25.206 1.00 65.14 H new ATOM 0 HA THR A 75 5.789 -29.431 24.595 1.00 24.40 H new ATOM 0 HB THR A 75 4.405 -28.901 22.596 1.00 53.55 H new ATOM 0 HG1 THR A 75 2.959 -30.588 21.824 1.00 24.14 H new ATOM 0 HG21 THR A 75 5.233 -30.706 21.126 1.00 42.11 H new ATOM 0 HG22 THR A 75 6.470 -30.180 22.292 1.00 42.11 H new ATOM 0 HG23 THR A 75 5.586 -31.701 22.558 1.00 42.11 H new ATOM 1162 N GLN A 76 3.698 -27.706 24.809 1.00 3.21 N ATOM 1163 CA GLN A 76 2.815 -26.735 25.474 1.00 3.34 C ATOM 1164 C GLN A 76 1.884 -26.021 24.476 1.00 20.33 C ATOM 1165 O GLN A 76 2.159 -25.966 23.278 1.00 40.41 O ATOM 1166 CB GLN A 76 3.663 -25.695 26.218 1.00 41.13 C ATOM 1167 CG GLN A 76 4.523 -26.275 27.338 1.00 4.41 C ATOM 1168 CD GLN A 76 5.504 -25.264 27.903 1.00 10.13 C ATOM 1169 OE1 GLN A 76 6.642 -25.164 27.454 1.00 25.30 O ATOM 1170 NE2 GLN A 76 5.069 -24.499 28.883 1.00 21.33 N ATOM 0 H GLN A 76 4.250 -27.314 24.046 1.00 3.21 H new ATOM 0 HA GLN A 76 2.189 -27.285 26.176 1.00 3.34 H new ATOM 0 HB2 GLN A 76 4.311 -25.191 25.501 1.00 41.13 H new ATOM 0 HB3 GLN A 76 3.002 -24.937 26.638 1.00 41.13 H new ATOM 0 HG2 GLN A 76 3.876 -26.635 28.138 1.00 4.41 H new ATOM 0 HG3 GLN A 76 5.073 -27.137 26.960 1.00 4.41 H new ATOM 0 HE21 GLN A 76 4.117 -24.609 29.232 1.00 21.33 H new ATOM 0 HE22 GLN A 76 5.684 -23.796 29.293 1.00 21.33 H new ATOM 1179 N CYS A 77 0.780 -25.475 24.989 1.00 5.20 N ATOM 1180 CA CYS A 77 -0.180 -24.703 24.181 1.00 60.53 C ATOM 1181 C CYS A 77 -0.931 -23.683 25.047 1.00 74.13 C ATOM 1182 O CYS A 77 -0.986 -23.816 26.272 1.00 60.44 O ATOM 1183 CB CYS A 77 -1.196 -25.633 23.501 1.00 35.40 C ATOM 1184 SG CYS A 77 -2.472 -24.770 22.547 1.00 10.00 S ATOM 0 H CYS A 77 0.522 -25.552 25.973 1.00 5.20 H new ATOM 0 HA CYS A 77 0.389 -24.173 23.417 1.00 60.53 H new ATOM 0 HB2 CYS A 77 -0.662 -26.314 22.839 1.00 35.40 H new ATOM 0 HB3 CYS A 77 -1.679 -26.244 24.263 1.00 35.40 H new ATOM 0 HG CYS A 77 -3.207 -24.059 23.349 1.00 10.00 H new ATOM 1190 N PHE A 78 -1.504 -22.667 24.407 1.00 73.14 N ATOM 1191 CA PHE A 78 -2.296 -21.653 25.111 1.00 2.12 C ATOM 1192 C PHE A 78 -3.780 -22.043 25.160 1.00 40.21 C ATOM 1193 O PHE A 78 -4.354 -22.478 24.157 1.00 24.32 O ATOM 1194 CB PHE A 78 -2.153 -20.286 24.430 1.00 73.13 C ATOM 1195 CG PHE A 78 -0.753 -19.722 24.463 1.00 51.22 C ATOM 1196 CD1 PHE A 78 -0.228 -19.204 25.639 1.00 50.52 C ATOM 1197 CD2 PHE A 78 0.036 -19.704 23.318 1.00 13.33 C ATOM 1198 CE1 PHE A 78 1.051 -18.679 25.674 1.00 11.34 C ATOM 1199 CE2 PHE A 78 1.315 -19.179 23.349 1.00 31.42 C ATOM 1200 CZ PHE A 78 1.822 -18.666 24.528 1.00 34.22 C ATOM 0 H PHE A 78 -1.436 -22.521 23.400 1.00 73.14 H new ATOM 0 HA PHE A 78 -1.915 -21.591 26.130 1.00 2.12 H new ATOM 0 HB2 PHE A 78 -2.473 -20.375 23.392 1.00 73.13 H new ATOM 0 HB3 PHE A 78 -2.829 -19.580 24.912 1.00 73.13 H new ATOM 0 HD1 PHE A 78 -0.826 -19.211 26.538 1.00 50.52 H new ATOM 0 HD2 PHE A 78 -0.354 -20.105 22.394 1.00 13.33 H new ATOM 0 HE1 PHE A 78 1.446 -18.280 26.596 1.00 11.34 H new ATOM 0 HE2 PHE A 78 1.917 -19.170 22.453 1.00 31.42 H new ATOM 0 HZ PHE A 78 2.820 -18.255 24.553 1.00 34.22 H new ATOM 1210 N TRP A 79 -4.391 -21.890 26.329 1.00 75.01 N ATOM 1211 CA TRP A 79 -5.821 -22.162 26.506 1.00 55.33 C ATOM 1212 C TRP A 79 -6.608 -20.889 26.853 1.00 74.52 C ATOM 1213 O TRP A 79 -6.287 -20.174 27.805 1.00 31.44 O ATOM 1214 CB TRP A 79 -6.040 -23.232 27.583 1.00 72.30 C ATOM 1215 CG TRP A 79 -5.795 -24.626 27.084 1.00 13.42 C ATOM 1216 CD1 TRP A 79 -4.588 -25.219 26.851 1.00 3.13 C ATOM 1217 CD2 TRP A 79 -6.792 -25.599 26.748 1.00 34.14 C ATOM 1218 NE1 TRP A 79 -4.775 -26.502 26.397 1.00 11.35 N ATOM 1219 CE2 TRP A 79 -6.119 -26.758 26.326 1.00 0.44 C ATOM 1220 CE3 TRP A 79 -8.190 -25.601 26.768 1.00 44.15 C ATOM 1221 CZ2 TRP A 79 -6.793 -27.909 25.929 1.00 61.35 C ATOM 1222 CZ3 TRP A 79 -8.860 -26.744 26.370 1.00 51.23 C ATOM 1223 CH2 TRP A 79 -8.161 -27.884 25.955 1.00 61.13 C ATOM 0 H TRP A 79 -3.918 -21.577 27.177 1.00 75.01 H new ATOM 0 HA TRP A 79 -6.199 -22.535 25.554 1.00 55.33 H new ATOM 0 HB2 TRP A 79 -5.378 -23.032 28.426 1.00 72.30 H new ATOM 0 HB3 TRP A 79 -7.062 -23.160 27.956 1.00 72.30 H new ATOM 0 HD1 TRP A 79 -3.627 -24.749 27.001 1.00 3.13 H new ATOM 0 HE1 TRP A 79 -4.033 -27.158 26.152 1.00 11.35 H new ATOM 0 HE3 TRP A 79 -8.737 -24.726 27.088 1.00 44.15 H new ATOM 0 HZ2 TRP A 79 -6.256 -28.790 25.612 1.00 61.35 H new ATOM 0 HZ3 TRP A 79 -9.940 -26.757 26.380 1.00 51.23 H new ATOM 0 HH2 TRP A 79 -8.712 -28.761 25.649 1.00 61.13 H new ATOM 1234 N ILE A 80 -7.640 -20.623 26.061 1.00 41.21 N ATOM 1235 CA ILE A 80 -8.505 -19.457 26.239 1.00 32.34 C ATOM 1236 C ILE A 80 -9.597 -19.720 27.289 1.00 31.13 C ATOM 1237 O ILE A 80 -10.610 -20.359 26.995 1.00 25.03 O ATOM 1238 CB ILE A 80 -9.194 -19.087 24.900 1.00 71.31 C ATOM 1239 CG1 ILE A 80 -8.170 -19.060 23.753 1.00 65.42 C ATOM 1240 CG2 ILE A 80 -9.913 -17.740 25.015 1.00 4.23 C ATOM 1241 CD1 ILE A 80 -8.797 -18.968 22.376 1.00 51.44 C ATOM 0 H ILE A 80 -7.904 -21.212 25.272 1.00 41.21 H new ATOM 0 HA ILE A 80 -7.872 -18.637 26.579 1.00 32.34 H new ATOM 0 HB ILE A 80 -9.938 -19.852 24.676 1.00 71.31 H new ATOM 0 HG12 ILE A 80 -7.501 -18.211 23.895 1.00 65.42 H new ATOM 0 HG13 ILE A 80 -7.557 -19.960 23.804 1.00 65.42 H new ATOM 0 HG21 ILE A 80 -10.389 -17.500 24.065 1.00 4.23 H new ATOM 0 HG22 ILE A 80 -10.671 -17.798 25.796 1.00 4.23 H new ATOM 0 HG23 ILE A 80 -9.191 -16.963 25.266 1.00 4.23 H new ATOM 0 HD11 ILE A 80 -8.013 -18.954 21.619 1.00 51.44 H new ATOM 0 HD12 ILE A 80 -9.443 -19.830 22.212 1.00 51.44 H new ATOM 0 HD13 ILE A 80 -9.386 -18.054 22.305 1.00 51.44 H new ATOM 1253 N LEU A 81 -9.382 -19.251 28.514 1.00 61.44 N ATOM 1254 CA LEU A 81 -10.423 -19.305 29.545 1.00 22.34 C ATOM 1255 C LEU A 81 -11.364 -18.105 29.392 1.00 15.11 C ATOM 1256 O LEU A 81 -11.028 -16.981 29.767 1.00 74.23 O ATOM 1257 CB LEU A 81 -9.811 -19.341 30.959 1.00 0.52 C ATOM 1258 CG LEU A 81 -9.258 -20.706 31.420 1.00 24.11 C ATOM 1259 CD1 LEU A 81 -10.379 -21.736 31.513 1.00 61.23 C ATOM 1260 CD2 LEU A 81 -8.146 -21.196 30.494 1.00 24.12 C ATOM 0 H LEU A 81 -8.504 -18.831 28.820 1.00 61.44 H new ATOM 0 HA LEU A 81 -10.993 -20.225 29.413 1.00 22.34 H new ATOM 0 HB2 LEU A 81 -9.004 -18.610 31.003 1.00 0.52 H new ATOM 0 HB3 LEU A 81 -10.571 -19.020 31.671 1.00 0.52 H new ATOM 0 HG LEU A 81 -8.828 -20.575 32.413 1.00 24.11 H new ATOM 0 HD11 LEU A 81 -9.969 -22.692 31.840 1.00 61.23 H new ATOM 0 HD12 LEU A 81 -11.126 -21.397 32.231 1.00 61.23 H new ATOM 0 HD13 LEU A 81 -10.845 -21.856 30.535 1.00 61.23 H new ATOM 0 HD21 LEU A 81 -7.778 -22.160 30.846 1.00 24.12 H new ATOM 0 HD22 LEU A 81 -8.536 -21.304 29.482 1.00 24.12 H new ATOM 0 HD23 LEU A 81 -7.329 -20.474 30.492 1.00 24.12 H new ATOM 1272 N ARG A 82 -12.531 -18.351 28.807 1.00 4.44 N ATOM 1273 CA ARG A 82 -13.499 -17.290 28.511 1.00 11.11 C ATOM 1274 C ARG A 82 -14.297 -16.870 29.754 1.00 44.51 C ATOM 1275 O ARG A 82 -14.422 -17.630 30.717 1.00 44.34 O ATOM 1276 CB ARG A 82 -14.472 -17.768 27.424 1.00 24.32 C ATOM 1277 CG ARG A 82 -13.802 -18.126 26.096 1.00 23.22 C ATOM 1278 CD ARG A 82 -14.187 -19.525 25.615 1.00 64.01 C ATOM 1279 NE ARG A 82 -15.640 -19.735 25.591 1.00 14.50 N ATOM 1280 CZ ARG A 82 -16.350 -19.846 24.500 1.00 60.53 C ATOM 1281 NH1 ARG A 82 -15.797 -19.691 23.341 1.00 31.31 N ATOM 1282 NH2 ARG A 82 -17.617 -20.094 24.578 1.00 43.33 N ATOM 0 H ARG A 82 -12.835 -19.283 28.525 1.00 4.44 H new ATOM 0 HA ARG A 82 -12.937 -16.422 28.165 1.00 11.11 H new ATOM 0 HB2 ARG A 82 -15.011 -18.641 27.793 1.00 24.32 H new ATOM 0 HB3 ARG A 82 -15.212 -16.988 27.246 1.00 24.32 H new ATOM 0 HG2 ARG A 82 -14.083 -17.393 25.340 1.00 23.22 H new ATOM 0 HG3 ARG A 82 -12.720 -18.068 26.209 1.00 23.22 H new ATOM 0 HD2 ARG A 82 -13.784 -19.685 24.615 1.00 64.01 H new ATOM 0 HD3 ARG A 82 -13.727 -20.268 26.266 1.00 64.01 H new ATOM 0 HE ARG A 82 -16.127 -19.798 26.485 1.00 14.50 H new ATOM 0 HH11 ARG A 82 -14.801 -19.481 23.275 1.00 31.31 H new ATOM 0 HH12 ARG A 82 -16.357 -19.779 22.493 1.00 31.31 H new ATOM 0 HH21 ARG A 82 -18.060 -20.203 25.490 1.00 43.33 H new ATOM 0 HH22 ARG A 82 -18.173 -20.181 23.727 1.00 43.33 H new ATOM 1296 N THR A 83 -14.851 -15.656 29.716 1.00 64.21 N ATOM 1297 CA THR A 83 -15.797 -15.198 30.747 1.00 44.02 C ATOM 1298 C THR A 83 -17.095 -16.009 30.660 1.00 14.20 C ATOM 1299 O THR A 83 -17.895 -16.059 31.595 1.00 74.32 O ATOM 1300 CB THR A 83 -16.126 -13.698 30.585 1.00 55.44 C ATOM 1301 OG1 THR A 83 -16.711 -13.468 29.296 1.00 74.14 O ATOM 1302 CG2 THR A 83 -14.873 -12.839 30.734 1.00 2.51 C ATOM 0 H THR A 83 -14.664 -14.970 28.985 1.00 64.21 H new ATOM 0 HA THR A 83 -15.326 -15.346 31.719 1.00 44.02 H new ATOM 0 HB THR A 83 -16.830 -13.419 31.369 1.00 55.44 H new ATOM 0 HG1 THR A 83 -16.920 -12.516 29.197 1.00 74.14 H new ATOM 0 HG21 THR A 83 -15.136 -11.788 30.615 1.00 2.51 H new ATOM 0 HG22 THR A 83 -14.440 -12.995 31.722 1.00 2.51 H new ATOM 0 HG23 THR A 83 -14.147 -13.120 29.971 1.00 2.51 H new ATOM 1310 N ASP A 84 -17.289 -16.633 29.500 1.00 11.11 N ATOM 1311 CA ASP A 84 -18.357 -17.609 29.281 1.00 64.15 C ATOM 1312 C ASP A 84 -18.201 -18.830 30.211 1.00 64.12 C ATOM 1313 O ASP A 84 -19.154 -19.563 30.460 1.00 10.33 O ATOM 1314 CB ASP A 84 -18.323 -18.037 27.804 1.00 73.44 C ATOM 1315 CG ASP A 84 -19.215 -19.224 27.488 1.00 1.23 C ATOM 1316 OD1 ASP A 84 -20.451 -19.075 27.543 1.00 20.41 O ATOM 1317 OD2 ASP A 84 -18.674 -20.308 27.175 1.00 4.41 O ATOM 0 H ASP A 84 -16.705 -16.475 28.679 1.00 11.11 H new ATOM 0 HA ASP A 84 -19.320 -17.155 29.515 1.00 64.15 H new ATOM 0 HB2 ASP A 84 -18.625 -17.193 27.184 1.00 73.44 H new ATOM 0 HB3 ASP A 84 -17.297 -18.283 27.530 1.00 73.44 H new ATOM 1322 N GLY A 85 -16.991 -19.035 30.723 1.00 3.31 N ATOM 1323 CA GLY A 85 -16.720 -20.178 31.587 1.00 51.02 C ATOM 1324 C GLY A 85 -16.013 -21.307 30.852 1.00 72.35 C ATOM 1325 O GLY A 85 -15.095 -21.933 31.385 1.00 20.12 O ATOM 0 H GLY A 85 -16.188 -18.429 30.556 1.00 3.31 H new ATOM 0 HA2 GLY A 85 -16.107 -19.856 32.429 1.00 51.02 H new ATOM 0 HA3 GLY A 85 -17.658 -20.548 32.000 1.00 51.02 H new ATOM 1329 N SER A 86 -16.441 -21.563 29.616 1.00 12.50 N ATOM 1330 CA SER A 86 -15.840 -22.614 28.783 1.00 63.53 C ATOM 1331 C SER A 86 -14.389 -22.275 28.420 1.00 41.34 C ATOM 1332 O SER A 86 -14.046 -21.109 28.216 1.00 30.32 O ATOM 1333 CB SER A 86 -16.647 -22.806 27.489 1.00 54.12 C ATOM 1334 OG SER A 86 -18.017 -23.085 27.753 1.00 62.01 O ATOM 0 H SER A 86 -17.204 -21.057 29.165 1.00 12.50 H new ATOM 0 HA SER A 86 -15.854 -23.536 29.364 1.00 63.53 H new ATOM 0 HB2 SER A 86 -16.571 -21.907 26.877 1.00 54.12 H new ATOM 0 HB3 SER A 86 -16.215 -23.623 26.910 1.00 54.12 H new ATOM 0 HG SER A 86 -18.548 -22.273 27.618 1.00 62.01 H new ATOM 1340 N GLU A 87 -13.537 -23.295 28.347 1.00 75.05 N ATOM 1341 CA GLU A 87 -12.150 -23.116 27.896 1.00 4.45 C ATOM 1342 C GLU A 87 -11.994 -23.515 26.422 1.00 60.32 C ATOM 1343 O GLU A 87 -12.814 -24.259 25.875 1.00 64.55 O ATOM 1344 CB GLU A 87 -11.180 -23.929 28.769 1.00 4.42 C ATOM 1345 CG GLU A 87 -11.601 -25.378 28.983 1.00 60.52 C ATOM 1346 CD GLU A 87 -10.565 -26.194 29.743 1.00 35.10 C ATOM 1347 OE1 GLU A 87 -10.165 -25.779 30.850 1.00 52.24 O ATOM 1348 OE2 GLU A 87 -10.163 -27.267 29.245 1.00 63.41 O ATOM 0 H GLU A 87 -13.778 -24.255 28.593 1.00 75.05 H new ATOM 0 HA GLU A 87 -11.905 -22.059 27.995 1.00 4.45 H new ATOM 0 HB2 GLU A 87 -10.193 -23.913 28.308 1.00 4.42 H new ATOM 0 HB3 GLU A 87 -11.086 -23.442 29.740 1.00 4.42 H new ATOM 0 HG2 GLU A 87 -12.544 -25.399 29.529 1.00 60.52 H new ATOM 0 HG3 GLU A 87 -11.783 -25.844 28.015 1.00 60.52 H new ATOM 1355 N GLU A 88 -10.939 -23.019 25.787 1.00 62.22 N ATOM 1356 CA GLU A 88 -10.678 -23.287 24.367 1.00 55.24 C ATOM 1357 C GLU A 88 -9.164 -23.261 24.083 1.00 24.55 C ATOM 1358 O GLU A 88 -8.380 -22.874 24.942 1.00 4.32 O ATOM 1359 CB GLU A 88 -11.418 -22.242 23.505 1.00 2.34 C ATOM 1360 CG GLU A 88 -11.321 -22.465 21.997 1.00 50.14 C ATOM 1361 CD GLU A 88 -11.857 -23.819 21.555 1.00 44.42 C ATOM 1362 OE1 GLU A 88 -11.087 -24.800 21.569 1.00 2.02 O ATOM 1363 OE2 GLU A 88 -13.043 -23.910 21.185 1.00 23.31 O ATOM 0 H GLU A 88 -10.241 -22.423 26.233 1.00 62.22 H new ATOM 0 HA GLU A 88 -11.047 -24.281 24.113 1.00 55.24 H new ATOM 0 HB2 GLU A 88 -12.470 -22.237 23.790 1.00 2.34 H new ATOM 0 HB3 GLU A 88 -11.021 -21.254 23.737 1.00 2.34 H new ATOM 0 HG2 GLU A 88 -11.873 -21.678 21.484 1.00 50.14 H new ATOM 0 HG3 GLU A 88 -10.279 -22.376 21.689 1.00 50.14 H new ATOM 1370 N ARG A 89 -8.753 -23.690 22.893 1.00 71.11 N ATOM 1371 CA ARG A 89 -7.336 -23.656 22.500 1.00 42.41 C ATOM 1372 C ARG A 89 -7.177 -23.309 21.011 1.00 60.42 C ATOM 1373 O ARG A 89 -8.116 -23.459 20.223 1.00 3.00 O ATOM 1374 CB ARG A 89 -6.673 -25.009 22.794 1.00 73.12 C ATOM 1375 CG ARG A 89 -7.346 -26.189 22.097 1.00 11.43 C ATOM 1376 CD ARG A 89 -6.601 -27.495 22.347 1.00 43.00 C ATOM 1377 NE ARG A 89 -5.246 -27.470 21.794 1.00 23.34 N ATOM 1378 CZ ARG A 89 -4.380 -28.438 21.932 1.00 14.45 C ATOM 1379 NH1 ARG A 89 -4.674 -29.495 22.623 1.00 44.52 N ATOM 1380 NH2 ARG A 89 -3.216 -28.346 21.377 1.00 35.32 N ATOM 0 H ARG A 89 -9.377 -24.067 22.179 1.00 71.11 H new ATOM 0 HA ARG A 89 -6.845 -22.878 23.085 1.00 42.41 H new ATOM 0 HB2 ARG A 89 -5.628 -24.965 22.487 1.00 73.12 H new ATOM 0 HB3 ARG A 89 -6.682 -25.181 23.870 1.00 73.12 H new ATOM 0 HG2 ARG A 89 -8.373 -26.283 22.451 1.00 11.43 H new ATOM 0 HG3 ARG A 89 -7.395 -25.998 21.025 1.00 11.43 H new ATOM 0 HD2 ARG A 89 -6.551 -27.684 23.419 1.00 43.00 H new ATOM 0 HD3 ARG A 89 -7.158 -28.320 21.904 1.00 43.00 H new ATOM 0 HE ARG A 89 -4.960 -26.644 21.268 1.00 23.34 H new ATOM 0 HH11 ARG A 89 -5.589 -29.577 23.065 1.00 44.52 H new ATOM 0 HH12 ARG A 89 -3.990 -30.245 22.724 1.00 44.52 H new ATOM 0 HH21 ARG A 89 -2.975 -27.518 20.832 1.00 35.32 H new ATOM 0 HH22 ARG A 89 -2.539 -29.101 21.484 1.00 35.32 H new ATOM 1394 N PHE A 90 -5.985 -22.853 20.626 1.00 12.12 N ATOM 1395 CA PHE A 90 -5.711 -22.502 19.226 1.00 53.11 C ATOM 1396 C PHE A 90 -4.273 -22.873 18.813 1.00 33.54 C ATOM 1397 O PHE A 90 -3.299 -22.449 19.439 1.00 25.14 O ATOM 1398 CB PHE A 90 -5.976 -21.002 18.983 1.00 51.12 C ATOM 1399 CG PHE A 90 -5.126 -20.065 19.817 1.00 61.41 C ATOM 1400 CD1 PHE A 90 -5.407 -19.854 21.162 1.00 31.55 C ATOM 1401 CD2 PHE A 90 -4.052 -19.387 19.251 1.00 65.15 C ATOM 1402 CE1 PHE A 90 -4.636 -18.992 21.921 1.00 14.00 C ATOM 1403 CE2 PHE A 90 -3.278 -18.527 20.008 1.00 32.31 C ATOM 1404 CZ PHE A 90 -3.571 -18.329 21.344 1.00 53.30 C ATOM 0 H PHE A 90 -5.195 -22.717 21.257 1.00 12.12 H new ATOM 0 HA PHE A 90 -6.390 -23.084 18.603 1.00 53.11 H new ATOM 0 HB2 PHE A 90 -5.806 -20.783 17.929 1.00 51.12 H new ATOM 0 HB3 PHE A 90 -7.027 -20.795 19.186 1.00 51.12 H new ATOM 0 HD1 PHE A 90 -6.238 -20.370 21.620 1.00 31.55 H new ATOM 0 HD2 PHE A 90 -3.819 -19.534 18.207 1.00 65.15 H new ATOM 0 HE1 PHE A 90 -4.867 -18.838 22.965 1.00 14.00 H new ATOM 0 HE2 PHE A 90 -2.445 -18.010 19.555 1.00 32.31 H new ATOM 0 HZ PHE A 90 -2.968 -17.657 21.936 1.00 53.30 H new ATOM 1414 N SER A 91 -4.149 -23.674 17.755 1.00 32.33 N ATOM 1415 CA SER A 91 -2.837 -24.068 17.221 1.00 3.32 C ATOM 1416 C SER A 91 -2.239 -22.944 16.362 1.00 25.55 C ATOM 1417 O SER A 91 -2.244 -23.011 15.131 1.00 21.24 O ATOM 1418 CB SER A 91 -2.955 -25.358 16.392 1.00 43.44 C ATOM 1419 OG SER A 91 -3.495 -26.424 17.164 1.00 23.44 O ATOM 0 H SER A 91 -4.942 -24.066 17.246 1.00 32.33 H new ATOM 0 HA SER A 91 -2.172 -24.253 18.065 1.00 3.32 H new ATOM 0 HB2 SER A 91 -3.589 -25.178 15.524 1.00 43.44 H new ATOM 0 HB3 SER A 91 -1.972 -25.641 16.015 1.00 43.44 H new ATOM 0 HG SER A 91 -3.559 -27.229 16.610 1.00 23.44 H new ATOM 1425 N TYR A 92 -1.725 -21.911 17.029 1.00 11.52 N ATOM 1426 CA TYR A 92 -1.243 -20.691 16.356 1.00 4.24 C ATOM 1427 C TYR A 92 -0.220 -20.968 15.234 1.00 65.23 C ATOM 1428 O TYR A 92 -0.169 -20.236 14.243 1.00 3.54 O ATOM 1429 CB TYR A 92 -0.644 -19.718 17.388 1.00 22.42 C ATOM 1430 CG TYR A 92 0.534 -20.274 18.178 1.00 52.04 C ATOM 1431 CD1 TYR A 92 0.339 -20.977 19.367 1.00 63.43 C ATOM 1432 CD2 TYR A 92 1.844 -20.084 17.742 1.00 14.41 C ATOM 1433 CE1 TYR A 92 1.409 -21.470 20.090 1.00 1.33 C ATOM 1434 CE2 TYR A 92 2.915 -20.576 18.460 1.00 64.12 C ATOM 1435 CZ TYR A 92 2.694 -21.267 19.633 1.00 41.34 C ATOM 1436 OH TYR A 92 3.762 -21.758 20.349 1.00 23.34 O ATOM 0 H TYR A 92 -1.629 -21.889 18.044 1.00 11.52 H new ATOM 0 HA TYR A 92 -2.112 -20.241 15.877 1.00 4.24 H new ATOM 0 HB2 TYR A 92 -0.323 -18.814 16.871 1.00 22.42 H new ATOM 0 HB3 TYR A 92 -1.427 -19.424 18.087 1.00 22.42 H new ATOM 0 HD1 TYR A 92 -0.666 -21.139 19.729 1.00 63.43 H new ATOM 0 HD2 TYR A 92 2.024 -19.542 16.826 1.00 14.41 H new ATOM 0 HE1 TYR A 92 1.239 -22.012 21.009 1.00 1.33 H new ATOM 0 HE2 TYR A 92 3.923 -20.420 18.105 1.00 64.12 H new ATOM 0 HH TYR A 92 4.597 -21.529 19.889 1.00 23.34 H new ATOM 1446 N LYS A 93 0.572 -22.034 15.373 1.00 70.14 N ATOM 1447 CA LYS A 93 1.646 -22.323 14.407 1.00 10.52 C ATOM 1448 C LYS A 93 1.106 -22.821 13.050 1.00 73.24 C ATOM 1449 O LYS A 93 1.875 -23.057 12.120 1.00 50.32 O ATOM 1450 CB LYS A 93 2.653 -23.332 14.994 1.00 61.52 C ATOM 1451 CG LYS A 93 2.117 -24.755 15.183 1.00 31.43 C ATOM 1452 CD LYS A 93 3.218 -25.695 15.686 1.00 64.23 C ATOM 1453 CE LYS A 93 2.777 -27.158 15.732 1.00 24.35 C ATOM 1454 NZ LYS A 93 1.739 -27.415 16.765 1.00 24.11 N ATOM 0 H LYS A 93 0.495 -22.708 16.135 1.00 70.14 H new ATOM 0 HA LYS A 93 2.160 -21.381 14.217 1.00 10.52 H new ATOM 0 HB2 LYS A 93 3.524 -23.373 14.340 1.00 61.52 H new ATOM 0 HB3 LYS A 93 2.996 -22.959 15.959 1.00 61.52 H new ATOM 0 HG2 LYS A 93 1.290 -24.745 15.893 1.00 31.43 H new ATOM 0 HG3 LYS A 93 1.721 -25.126 14.238 1.00 31.43 H new ATOM 0 HD2 LYS A 93 4.090 -25.604 15.038 1.00 64.23 H new ATOM 0 HD3 LYS A 93 3.528 -25.383 16.683 1.00 64.23 H new ATOM 0 HE2 LYS A 93 2.390 -27.447 14.755 1.00 24.35 H new ATOM 0 HE3 LYS A 93 3.644 -27.788 15.930 1.00 24.35 H new ATOM 0 HZ1 LYS A 93 1.478 -28.422 16.752 1.00 24.11 H new ATOM 0 HZ2 LYS A 93 2.114 -27.167 17.703 1.00 24.11 H new ATOM 0 HZ3 LYS A 93 0.898 -26.837 16.564 1.00 24.11 H new ATOM 1468 N LYS A 94 -0.214 -22.978 12.939 1.00 42.44 N ATOM 1469 CA LYS A 94 -0.851 -23.369 11.671 1.00 53.13 C ATOM 1470 C LYS A 94 -1.582 -22.183 11.015 1.00 44.53 C ATOM 1471 O LYS A 94 -2.283 -22.347 10.016 1.00 60.40 O ATOM 1472 CB LYS A 94 -1.837 -24.524 11.909 1.00 34.33 C ATOM 1473 CG LYS A 94 -1.168 -25.875 12.136 1.00 13.33 C ATOM 1474 CD LYS A 94 -0.441 -26.362 10.881 1.00 21.33 C ATOM 1475 CE LYS A 94 0.154 -27.752 11.067 1.00 42.32 C ATOM 1476 NZ LYS A 94 0.819 -28.235 9.830 1.00 62.14 N ATOM 0 H LYS A 94 -0.867 -22.841 13.710 1.00 42.44 H new ATOM 0 HA LYS A 94 -0.064 -23.696 10.991 1.00 53.13 H new ATOM 0 HB2 LYS A 94 -2.456 -24.287 12.774 1.00 34.33 H new ATOM 0 HB3 LYS A 94 -2.505 -24.601 11.051 1.00 34.33 H new ATOM 0 HG2 LYS A 94 -0.459 -25.797 12.960 1.00 13.33 H new ATOM 0 HG3 LYS A 94 -1.919 -26.609 12.430 1.00 13.33 H new ATOM 0 HD2 LYS A 94 -1.136 -26.375 10.042 1.00 21.33 H new ATOM 0 HD3 LYS A 94 0.353 -25.659 10.627 1.00 21.33 H new ATOM 0 HE2 LYS A 94 0.875 -27.733 11.884 1.00 42.32 H new ATOM 0 HE3 LYS A 94 -0.633 -28.450 11.353 1.00 42.32 H new ATOM 0 HZ1 LYS A 94 1.212 -29.184 9.995 1.00 62.14 H new ATOM 0 HZ2 LYS A 94 0.125 -28.277 9.057 1.00 62.14 H new ATOM 0 HZ3 LYS A 94 1.587 -27.583 9.571 1.00 62.14 H new ATOM 1490 N CYS A 95 -1.391 -20.986 11.566 1.00 43.45 N ATOM 1491 CA CYS A 95 -2.085 -19.779 11.083 1.00 14.14 C ATOM 1492 C CYS A 95 -1.195 -18.953 10.139 1.00 3.22 C ATOM 1493 O CYS A 95 -1.200 -17.718 10.178 1.00 23.41 O ATOM 1494 CB CYS A 95 -2.527 -18.920 12.278 1.00 54.23 C ATOM 1495 SG CYS A 95 -3.387 -17.391 11.826 1.00 52.03 S ATOM 0 H CYS A 95 -0.761 -20.819 12.350 1.00 43.45 H new ATOM 0 HA CYS A 95 -2.961 -20.097 10.518 1.00 14.14 H new ATOM 0 HB2 CYS A 95 -3.181 -19.515 12.915 1.00 54.23 H new ATOM 0 HB3 CYS A 95 -1.649 -18.666 12.872 1.00 54.23 H new ATOM 0 HG CYS A 95 -4.420 -17.229 12.599 1.00 52.03 H new ATOM 1501 N VAL A 96 -0.447 -19.638 9.274 1.00 11.30 N ATOM 1502 CA VAL A 96 0.472 -18.968 8.345 1.00 44.30 C ATOM 1503 C VAL A 96 -0.170 -18.730 6.960 1.00 43.34 C ATOM 1504 O VAL A 96 -0.883 -17.745 6.768 1.00 52.11 O ATOM 1505 CB VAL A 96 1.796 -19.766 8.190 1.00 21.55 C ATOM 1506 CG1 VAL A 96 2.788 -19.020 7.297 1.00 75.22 C ATOM 1507 CG2 VAL A 96 2.410 -20.059 9.560 1.00 21.12 C ATOM 0 H VAL A 96 -0.457 -20.655 9.195 1.00 11.30 H new ATOM 0 HA VAL A 96 0.698 -17.994 8.779 1.00 44.30 H new ATOM 0 HB VAL A 96 1.564 -20.716 7.708 1.00 21.55 H new ATOM 0 HG11 VAL A 96 3.705 -19.602 7.207 1.00 75.22 H new ATOM 0 HG12 VAL A 96 2.351 -18.876 6.309 1.00 75.22 H new ATOM 0 HG13 VAL A 96 3.016 -18.050 7.738 1.00 75.22 H new ATOM 0 HG21 VAL A 96 3.337 -20.619 9.431 1.00 21.12 H new ATOM 0 HG22 VAL A 96 2.621 -19.120 10.072 1.00 21.12 H new ATOM 0 HG23 VAL A 96 1.710 -20.647 10.154 1.00 21.12 H new ATOM 1517 N LEU A 97 0.069 -19.649 6.017 1.00 1.12 N ATOM 1518 CA LEU A 97 -0.414 -19.527 4.626 1.00 3.11 C ATOM 1519 C LEU A 97 -0.328 -20.879 3.900 1.00 62.23 C ATOM 1520 O LEU A 97 0.488 -21.735 4.256 1.00 30.40 O ATOM 1521 CB LEU A 97 0.397 -18.479 3.827 1.00 25.02 C ATOM 1522 CG LEU A 97 0.017 -17.004 4.057 1.00 33.41 C ATOM 1523 CD1 LEU A 97 0.928 -16.074 3.259 1.00 11.31 C ATOM 1524 CD2 LEU A 97 -1.448 -16.758 3.696 1.00 44.31 C ATOM 0 H LEU A 97 0.603 -20.501 6.191 1.00 1.12 H new ATOM 0 HA LEU A 97 -1.453 -19.201 4.680 1.00 3.11 H new ATOM 0 HB2 LEU A 97 1.452 -18.603 4.072 1.00 25.02 H new ATOM 0 HB3 LEU A 97 0.288 -18.699 2.765 1.00 25.02 H new ATOM 0 HG LEU A 97 0.151 -16.785 5.116 1.00 33.41 H new ATOM 0 HD11 LEU A 97 0.639 -15.039 3.439 1.00 11.31 H new ATOM 0 HD12 LEU A 97 1.962 -16.221 3.571 1.00 11.31 H new ATOM 0 HD13 LEU A 97 0.835 -16.297 2.196 1.00 11.31 H new ATOM 0 HD21 LEU A 97 -1.694 -15.710 3.866 1.00 44.31 H new ATOM 0 HD22 LEU A 97 -1.610 -17.003 2.646 1.00 44.31 H new ATOM 0 HD23 LEU A 97 -2.086 -17.386 4.318 1.00 44.31 H new ATOM 1536 N GLU A 98 -1.151 -21.052 2.869 1.00 45.43 N ATOM 1537 CA GLU A 98 -1.185 -22.302 2.094 1.00 42.31 C ATOM 1538 C GLU A 98 -1.057 -22.020 0.584 1.00 72.41 C ATOM 1539 O GLU A 98 -0.112 -22.479 -0.060 1.00 34.21 O ATOM 1540 CB GLU A 98 -2.492 -23.061 2.406 1.00 64.42 C ATOM 1541 CG GLU A 98 -2.602 -24.469 1.806 1.00 33.53 C ATOM 1542 CD GLU A 98 -2.872 -24.477 0.306 1.00 1.13 C ATOM 1543 OE1 GLU A 98 -3.846 -23.828 -0.130 1.00 63.22 O ATOM 1544 OE2 GLU A 98 -2.112 -25.131 -0.442 1.00 54.13 O ATOM 0 H GLU A 98 -1.808 -20.342 2.545 1.00 45.43 H new ATOM 0 HA GLU A 98 -0.336 -22.922 2.381 1.00 42.31 H new ATOM 0 HB2 GLU A 98 -2.597 -23.138 3.488 1.00 64.42 H new ATOM 0 HB3 GLU A 98 -3.331 -22.466 2.046 1.00 64.42 H new ATOM 0 HG2 GLU A 98 -1.677 -25.011 2.003 1.00 33.53 H new ATOM 0 HG3 GLU A 98 -3.402 -25.009 2.313 1.00 33.53 H new ATOM 1551 N HIS A 99 -1.999 -21.248 0.030 1.00 24.45 N ATOM 1552 CA HIS A 99 -2.037 -20.973 -1.420 1.00 2.52 C ATOM 1553 C HIS A 99 -0.711 -20.391 -1.943 1.00 41.01 C ATOM 1554 O HIS A 99 -0.199 -20.823 -2.976 1.00 14.14 O ATOM 1555 CB HIS A 99 -3.183 -20.009 -1.758 1.00 61.21 C ATOM 1556 CG HIS A 99 -4.549 -20.554 -1.488 1.00 73.25 C ATOM 1557 ND1 HIS A 99 -5.406 -20.003 -0.561 1.00 20.31 N ATOM 1558 CD2 HIS A 99 -5.219 -21.590 -2.046 1.00 45.22 C ATOM 1559 CE1 HIS A 99 -6.540 -20.671 -0.561 1.00 75.42 C ATOM 1560 NE2 HIS A 99 -6.455 -21.638 -1.452 1.00 13.24 N ATOM 0 H HIS A 99 -2.747 -20.800 0.560 1.00 24.45 H new ATOM 0 HA HIS A 99 -2.201 -21.931 -1.914 1.00 2.52 H new ATOM 0 HB2 HIS A 99 -3.051 -19.092 -1.184 1.00 61.21 H new ATOM 0 HB3 HIS A 99 -3.115 -19.738 -2.812 1.00 61.21 H new ATOM 0 HD2 HIS A 99 -4.850 -22.254 -2.814 1.00 45.22 H new ATOM 0 HE1 HIS A 99 -7.396 -20.462 0.064 1.00 75.42 H new ATOM 0 HE2 HIS A 99 -7.189 -22.313 -1.666 1.00 13.24 H new ATOM 1569 N HIS A 100 -0.158 -19.414 -1.224 1.00 33.11 N ATOM 1570 CA HIS A 100 1.092 -18.759 -1.635 1.00 32.33 C ATOM 1571 C HIS A 100 2.289 -19.733 -1.624 1.00 11.13 C ATOM 1572 O HIS A 100 3.360 -19.396 -2.120 1.00 13.52 O ATOM 1573 CB HIS A 100 1.376 -17.555 -0.725 1.00 10.13 C ATOM 1574 CG HIS A 100 2.534 -16.709 -1.175 1.00 44.54 C ATOM 1575 ND1 HIS A 100 3.552 -16.308 -0.335 1.00 35.52 N ATOM 1576 CD2 HIS A 100 2.826 -16.178 -2.389 1.00 21.34 C ATOM 1577 CE1 HIS A 100 4.411 -15.571 -1.007 1.00 3.10 C ATOM 1578 NE2 HIS A 100 3.997 -15.478 -2.252 1.00 3.53 N ATOM 0 H HIS A 100 -0.553 -19.056 -0.354 1.00 33.11 H new ATOM 0 HA HIS A 100 0.963 -18.417 -2.662 1.00 32.33 H new ATOM 0 HB2 HIS A 100 0.483 -16.933 -0.674 1.00 10.13 H new ATOM 0 HB3 HIS A 100 1.573 -17.914 0.285 1.00 10.13 H new ATOM 0 HD2 HIS A 100 2.245 -16.286 -3.293 1.00 21.34 H new ATOM 0 HE1 HIS A 100 5.305 -15.119 -0.604 1.00 3.10 H new ATOM 0 HE2 HIS A 100 4.471 -14.967 -2.996 1.00 3.53 H new ATOM 1587 N HIS A 101 2.074 -20.935 -1.069 1.00 24.25 N ATOM 1588 CA HIS A 101 3.091 -22.006 -0.961 1.00 23.33 C ATOM 1589 C HIS A 101 4.407 -21.553 -0.292 1.00 73.13 C ATOM 1590 O HIS A 101 4.740 -20.372 -0.248 1.00 73.24 O ATOM 1591 CB HIS A 101 3.375 -22.673 -2.328 1.00 61.44 C ATOM 1592 CG HIS A 101 4.001 -21.784 -3.365 1.00 70.25 C ATOM 1593 ND1 HIS A 101 3.305 -21.273 -4.438 1.00 72.53 N ATOM 1594 CD2 HIS A 101 5.270 -21.327 -3.497 1.00 50.23 C ATOM 1595 CE1 HIS A 101 4.113 -20.545 -5.179 1.00 53.55 C ATOM 1596 NE2 HIS A 101 5.309 -20.559 -4.632 1.00 30.11 N ATOM 0 H HIS A 101 1.172 -21.201 -0.673 1.00 24.25 H new ATOM 0 HA HIS A 101 2.648 -22.749 -0.297 1.00 23.33 H new ATOM 0 HB2 HIS A 101 4.030 -23.529 -2.166 1.00 61.44 H new ATOM 0 HB3 HIS A 101 2.437 -23.060 -2.725 1.00 61.44 H new ATOM 0 HD2 HIS A 101 6.096 -21.530 -2.832 1.00 50.23 H new ATOM 0 HE1 HIS A 101 3.840 -20.024 -6.084 1.00 53.55 H new ATOM 0 HE2 HIS A 101 6.132 -20.077 -4.994 1.00 30.11 H new ATOM 1605 N HIS A 102 5.149 -22.523 0.246 1.00 3.31 N ATOM 1606 CA HIS A 102 6.427 -22.249 0.917 1.00 11.33 C ATOM 1607 C HIS A 102 7.212 -23.547 1.186 1.00 11.50 C ATOM 1608 O HIS A 102 7.232 -24.054 2.308 1.00 35.13 O ATOM 1609 CB HIS A 102 6.199 -21.468 2.229 1.00 71.54 C ATOM 1610 CG HIS A 102 5.083 -22.011 3.077 1.00 53.24 C ATOM 1611 ND1 HIS A 102 5.258 -23.015 4.002 1.00 43.43 N ATOM 1612 CD2 HIS A 102 3.767 -21.680 3.134 1.00 62.23 C ATOM 1613 CE1 HIS A 102 4.109 -23.284 4.589 1.00 15.41 C ATOM 1614 NE2 HIS A 102 3.187 -22.488 4.082 1.00 33.00 N ATOM 0 H HIS A 102 4.888 -23.509 0.231 1.00 3.31 H new ATOM 0 HA HIS A 102 7.026 -21.632 0.247 1.00 11.33 H new ATOM 0 HB2 HIS A 102 7.121 -21.477 2.810 1.00 71.54 H new ATOM 0 HB3 HIS A 102 5.985 -20.427 1.988 1.00 71.54 H new ATOM 0 HD1 HIS A 102 6.143 -23.481 4.203 1.00 43.43 H new ATOM 0 HD2 HIS A 102 3.270 -20.924 2.545 1.00 62.23 H new ATOM 0 HE1 HIS A 102 3.949 -24.029 5.354 1.00 15.41 H new ATOM 0 HE2 HIS A 102 2.203 -22.475 4.350 1.00 33.00 H new ATOM 1623 N HIS A 103 7.842 -24.083 0.140 1.00 44.03 N ATOM 1624 CA HIS A 103 8.647 -25.312 0.243 1.00 51.34 C ATOM 1625 C HIS A 103 9.293 -25.662 -1.104 1.00 44.11 C ATOM 1626 O HIS A 103 8.876 -25.167 -2.150 1.00 41.01 O ATOM 1627 CB HIS A 103 7.788 -26.504 0.708 1.00 50.42 C ATOM 1628 CG HIS A 103 6.784 -26.966 -0.311 1.00 30.45 C ATOM 1629 ND1 HIS A 103 7.101 -27.815 -1.354 1.00 63.02 N ATOM 1630 CD2 HIS A 103 5.464 -26.694 -0.447 1.00 14.02 C ATOM 1631 CE1 HIS A 103 6.023 -28.039 -2.079 1.00 35.55 C ATOM 1632 NE2 HIS A 103 5.018 -27.373 -1.552 1.00 62.33 N ATOM 0 H HIS A 103 7.813 -23.685 -0.799 1.00 44.03 H new ATOM 0 HA HIS A 103 9.427 -25.121 0.981 1.00 51.34 H new ATOM 0 HB2 HIS A 103 8.445 -27.336 0.959 1.00 50.42 H new ATOM 0 HB3 HIS A 103 7.262 -26.226 1.621 1.00 50.42 H new ATOM 0 HD1 HIS A 103 8.025 -28.207 -1.535 1.00 63.02 H new ATOM 0 HD2 HIS A 103 4.872 -26.060 0.196 1.00 14.02 H new ATOM 0 HE1 HIS A 103 5.973 -28.664 -2.958 1.00 35.55 H new ATOM 1641 N HIS A 104 10.297 -26.530 -1.069 1.00 32.11 N ATOM 1642 CA HIS A 104 10.886 -27.088 -2.293 1.00 74.43 C ATOM 1643 C HIS A 104 10.874 -28.633 -2.247 1.00 73.44 C ATOM 1644 O HIS A 104 11.945 -29.259 -2.067 1.00 38.67 O ATOM 1645 CB HIS A 104 12.303 -26.525 -2.518 1.00 2.34 C ATOM 1646 CG HIS A 104 13.205 -26.616 -1.323 1.00 42.43 C ATOM 1647 ND1 HIS A 104 13.893 -27.759 -0.989 1.00 23.22 N ATOM 1648 CD2 HIS A 104 13.537 -25.697 -0.383 1.00 22.43 C ATOM 1649 CE1 HIS A 104 14.605 -27.546 0.095 1.00 21.23 C ATOM 1650 NE2 HIS A 104 14.409 -26.305 0.485 1.00 14.54 N ATOM 1651 OXT HIS A 104 9.767 -29.210 -2.346 1.00 38.67 O ATOM 0 H HIS A 104 10.725 -26.867 -0.207 1.00 32.11 H new ATOM 0 HA HIS A 104 10.279 -26.786 -3.146 1.00 74.43 H new ATOM 0 HB2 HIS A 104 12.765 -27.060 -3.348 1.00 2.34 H new ATOM 0 HB3 HIS A 104 12.222 -25.480 -2.818 1.00 2.34 H new ATOM 0 HD1 HIS A 104 13.856 -28.638 -1.504 1.00 23.22 H new ATOM 0 HD2 HIS A 104 13.182 -24.678 -0.328 1.00 22.43 H new ATOM 0 HE1 HIS A 104 15.243 -28.268 0.583 1.00 21.23 H new TER 1660 HIS A 104