USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= -0.0664 X(o=-0.066,f=0) USER MOD Single : A 1 HIS N :NH3+ -162:sc= 0 (180deg=-0.0471) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 2:sc= 0.22 USER MOD Single : A 9 TYR OH : rot 37:sc= 1.41 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 17 ASN : amide:sc= -0.732 K(o=-0.73,f=-4.3!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.329 F(o=-1.9,f=-0.33) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0488) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.061) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -1.45 K(o=-1.4,f=-5.4!) USER MOD Single : A 38 THR OG1 : rot -42:sc= 0.233 USER MOD Single : A 39 ASN : amide:sc= -3.1 K(o=-3.1,f=-4.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0834 X(o=-0.083,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -15:sc= 0.183! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= -0.366 (180deg=-0.47) USER MOD Single : A 67 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.39) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -151:sc= 0.317 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -3.711 3.460 1.424 1.00 14.43 N ATOM 2 CA HIS A 1 -3.354 3.346 0.015 1.00 41.12 C ATOM 3 C HIS A 1 -2.671 2.011 -0.266 1.00 4.12 C ATOM 4 O HIS A 1 -1.444 1.928 -0.307 1.00 65.20 O ATOM 5 CB HIS A 1 -2.436 4.498 -0.395 1.00 52.14 C ATOM 6 CG HIS A 1 -3.121 5.830 -0.419 1.00 2.01 C ATOM 7 ND1 HIS A 1 -2.442 7.023 -0.551 1.00 21.04 N ATOM 8 CD2 HIS A 1 -4.432 6.153 -0.328 1.00 51.22 C ATOM 9 CE1 HIS A 1 -3.306 8.022 -0.538 1.00 43.42 C ATOM 10 NE2 HIS A 1 -4.521 7.521 -0.405 1.00 4.42 N ATOM 0 H1 HIS A 1 -4.425 4.207 1.542 1.00 14.43 H new ATOM 0 H2 HIS A 1 -4.098 2.555 1.758 1.00 14.43 H new ATOM 0 H3 HIS A 1 -2.864 3.700 1.978 1.00 14.43 H new ATOM 0 HA HIS A 1 -4.271 3.396 -0.572 1.00 41.12 H new ATOM 0 HB2 HIS A 1 -1.594 4.544 0.295 1.00 52.14 H new ATOM 0 HB3 HIS A 1 -2.027 4.291 -1.384 1.00 52.14 H new ATOM 0 HD2 HIS A 1 -5.255 5.463 -0.216 1.00 51.22 H new ATOM 0 HE1 HIS A 1 -3.061 9.070 -0.622 1.00 43.42 H new ATOM 0 HE2 HIS A 1 -5.385 8.062 -0.366 1.00 4.42 H new ATOM 18 N MET A 2 -3.474 0.970 -0.457 1.00 64.43 N ATOM 19 CA MET A 2 -2.946 -0.361 -0.734 1.00 64.34 C ATOM 20 C MET A 2 -3.208 -0.759 -2.183 1.00 61.43 C ATOM 21 O MET A 2 -3.813 -0.004 -2.946 1.00 23.14 O ATOM 22 CB MET A 2 -3.572 -1.389 0.210 1.00 1.35 C ATOM 23 CG MET A 2 -2.825 -1.539 1.526 1.00 53.00 C ATOM 24 SD MET A 2 -3.386 -0.372 2.780 1.00 14.44 S ATOM 25 CE MET A 2 -3.485 -1.438 4.216 1.00 64.32 C ATOM 0 H MET A 2 -4.492 1.022 -0.425 1.00 64.43 H new ATOM 0 HA MET A 2 -1.869 -0.338 -0.571 1.00 64.34 H new ATOM 0 HB2 MET A 2 -4.602 -1.100 0.417 1.00 1.35 H new ATOM 0 HB3 MET A 2 -3.607 -2.356 -0.291 1.00 1.35 H new ATOM 0 HG2 MET A 2 -2.953 -2.555 1.898 1.00 53.00 H new ATOM 0 HG3 MET A 2 -1.759 -1.395 1.352 1.00 53.00 H new ATOM 0 HE1 MET A 2 -3.820 -0.859 5.077 1.00 64.32 H new ATOM 0 HE2 MET A 2 -4.193 -2.244 4.023 1.00 64.32 H new ATOM 0 HE3 MET A 2 -2.502 -1.861 4.424 1.00 64.32 H new ATOM 35 N LEU A 3 -2.749 -1.949 -2.558 1.00 13.34 N ATOM 36 CA LEU A 3 -2.934 -2.447 -3.916 1.00 74.10 C ATOM 37 C LEU A 3 -4.400 -2.778 -4.180 1.00 1.40 C ATOM 38 O LEU A 3 -5.044 -3.464 -3.387 1.00 51.23 O ATOM 39 CB LEU A 3 -2.070 -3.688 -4.147 1.00 73.11 C ATOM 40 CG LEU A 3 -0.621 -3.429 -4.559 1.00 25.33 C ATOM 41 CD1 LEU A 3 0.263 -3.272 -3.331 1.00 30.42 C ATOM 42 CD2 LEU A 3 -0.109 -4.555 -5.446 1.00 0.12 C ATOM 0 H LEU A 3 -2.246 -2.586 -1.940 1.00 13.34 H new ATOM 0 HA LEU A 3 -2.627 -1.664 -4.609 1.00 74.10 H new ATOM 0 HB2 LEU A 3 -2.066 -4.279 -3.231 1.00 73.11 H new ATOM 0 HB3 LEU A 3 -2.543 -4.297 -4.918 1.00 73.11 H new ATOM 0 HG LEU A 3 -0.586 -2.500 -5.128 1.00 25.33 H new ATOM 0 HD11 LEU A 3 1.291 -3.088 -3.644 1.00 30.42 H new ATOM 0 HD12 LEU A 3 -0.090 -2.432 -2.733 1.00 30.42 H new ATOM 0 HD13 LEU A 3 0.223 -4.184 -2.735 1.00 30.42 H new ATOM 0 HD21 LEU A 3 0.924 -4.354 -5.730 1.00 0.12 H new ATOM 0 HD22 LEU A 3 -0.159 -5.498 -4.902 1.00 0.12 H new ATOM 0 HD23 LEU A 3 -0.725 -4.621 -6.343 1.00 0.12 H new ATOM 54 N ALA A 4 -4.919 -2.286 -5.300 1.00 75.11 N ATOM 55 CA ALA A 4 -6.307 -2.533 -5.671 1.00 14.22 C ATOM 56 C ALA A 4 -6.492 -3.954 -6.191 1.00 34.20 C ATOM 57 O ALA A 4 -5.574 -4.542 -6.763 1.00 1.04 O ATOM 58 CB ALA A 4 -6.762 -1.523 -6.715 1.00 33.45 C ATOM 0 H ALA A 4 -4.399 -1.714 -5.966 1.00 75.11 H new ATOM 0 HA ALA A 4 -6.922 -2.418 -4.778 1.00 14.22 H new ATOM 0 HB1 ALA A 4 -7.800 -1.719 -6.983 1.00 33.45 H new ATOM 0 HB2 ALA A 4 -6.676 -0.515 -6.308 1.00 33.45 H new ATOM 0 HB3 ALA A 4 -6.136 -1.610 -7.603 1.00 33.45 H new ATOM 64 N LYS A 5 -7.686 -4.503 -5.989 1.00 3.43 N ATOM 65 CA LYS A 5 -7.992 -5.856 -6.437 1.00 55.45 C ATOM 66 C LYS A 5 -8.420 -5.859 -7.902 1.00 24.42 C ATOM 67 O LYS A 5 -9.566 -5.548 -8.224 1.00 23.13 O ATOM 68 CB LYS A 5 -9.098 -6.464 -5.571 1.00 43.03 C ATOM 69 CG LYS A 5 -8.591 -7.065 -4.272 1.00 4.12 C ATOM 70 CD LYS A 5 -8.052 -8.471 -4.480 1.00 55.41 C ATOM 71 CE LYS A 5 -9.174 -9.498 -4.512 1.00 2.31 C ATOM 72 NZ LYS A 5 -9.538 -9.964 -3.145 1.00 63.13 N ATOM 0 H LYS A 5 -8.457 -4.031 -5.518 1.00 3.43 H new ATOM 0 HA LYS A 5 -7.089 -6.458 -6.338 1.00 55.45 H new ATOM 0 HB2 LYS A 5 -9.834 -5.693 -5.342 1.00 43.03 H new ATOM 0 HB3 LYS A 5 -9.612 -7.236 -6.143 1.00 43.03 H new ATOM 0 HG2 LYS A 5 -7.806 -6.431 -3.859 1.00 4.12 H new ATOM 0 HG3 LYS A 5 -9.399 -7.089 -3.541 1.00 4.12 H new ATOM 0 HD2 LYS A 5 -7.492 -8.513 -5.414 1.00 55.41 H new ATOM 0 HD3 LYS A 5 -7.355 -8.717 -3.679 1.00 55.41 H new ATOM 0 HE2 LYS A 5 -10.050 -9.064 -4.993 1.00 2.31 H new ATOM 0 HE3 LYS A 5 -8.868 -10.351 -5.117 1.00 2.31 H new ATOM 0 HZ1 LYS A 5 -10.306 -10.663 -3.209 1.00 63.13 H new ATOM 0 HZ2 LYS A 5 -8.709 -10.401 -2.695 1.00 63.13 H new ATOM 0 HZ3 LYS A 5 -9.854 -9.154 -2.575 1.00 63.13 H new ATOM 86 N GLU A 6 -7.491 -6.215 -8.784 1.00 4.03 N ATOM 87 CA GLU A 6 -7.773 -6.260 -10.214 1.00 1.54 C ATOM 88 C GLU A 6 -8.559 -7.517 -10.574 1.00 64.01 C ATOM 89 O GLU A 6 -8.300 -8.597 -10.043 1.00 31.12 O ATOM 90 CB GLU A 6 -6.470 -6.212 -11.015 1.00 13.50 C ATOM 91 CG GLU A 6 -5.958 -4.802 -11.260 1.00 22.22 C ATOM 92 CD GLU A 6 -4.469 -4.764 -11.543 1.00 5.15 C ATOM 93 OE1 GLU A 6 -3.691 -4.524 -10.595 1.00 14.33 O ATOM 94 OE2 GLU A 6 -4.080 -4.974 -12.711 1.00 12.45 O ATOM 0 H GLU A 6 -6.537 -6.476 -8.533 1.00 4.03 H new ATOM 0 HA GLU A 6 -8.378 -5.389 -10.467 1.00 1.54 H new ATOM 0 HB2 GLU A 6 -5.706 -6.780 -10.484 1.00 13.50 H new ATOM 0 HB3 GLU A 6 -6.625 -6.705 -11.975 1.00 13.50 H new ATOM 0 HG2 GLU A 6 -6.495 -4.365 -12.102 1.00 22.22 H new ATOM 0 HG3 GLU A 6 -6.174 -4.184 -10.389 1.00 22.22 H new ATOM 101 N ASP A 7 -9.519 -7.368 -11.480 1.00 1.12 N ATOM 102 CA ASP A 7 -10.343 -8.491 -11.912 1.00 41.35 C ATOM 103 C ASP A 7 -10.128 -8.783 -13.394 1.00 60.12 C ATOM 104 O ASP A 7 -9.777 -7.893 -14.169 1.00 0.54 O ATOM 105 CB ASP A 7 -11.820 -8.199 -11.647 1.00 15.15 C ATOM 106 CG ASP A 7 -12.070 -7.719 -10.230 1.00 51.03 C ATOM 107 OD1 ASP A 7 -11.532 -8.340 -9.290 1.00 4.34 O ATOM 108 OD2 ASP A 7 -12.803 -6.722 -10.063 1.00 32.34 O ATOM 0 H ASP A 7 -9.746 -6.481 -11.929 1.00 1.12 H new ATOM 0 HA ASP A 7 -10.046 -9.370 -11.339 1.00 41.35 H new ATOM 0 HB2 ASP A 7 -12.170 -7.444 -12.351 1.00 15.15 H new ATOM 0 HB3 ASP A 7 -12.404 -9.101 -11.831 1.00 15.15 H new ATOM 113 N TYR A 8 -10.340 -10.036 -13.781 1.00 41.13 N ATOM 114 CA TYR A 8 -10.166 -10.447 -15.170 1.00 0.35 C ATOM 115 C TYR A 8 -10.946 -9.533 -16.110 1.00 3.21 C ATOM 116 O TYR A 8 -10.502 -9.243 -17.221 1.00 52.52 O ATOM 117 CB TYR A 8 -10.620 -11.895 -15.355 1.00 73.44 C ATOM 118 CG TYR A 8 -9.847 -12.885 -14.514 1.00 64.32 C ATOM 119 CD1 TYR A 8 -10.497 -13.913 -13.842 1.00 22.01 C ATOM 120 CD2 TYR A 8 -8.466 -12.793 -14.391 1.00 1.43 C ATOM 121 CE1 TYR A 8 -9.794 -14.819 -13.072 1.00 33.44 C ATOM 122 CE2 TYR A 8 -7.755 -13.695 -13.624 1.00 31.41 C ATOM 123 CZ TYR A 8 -8.424 -14.707 -12.966 1.00 44.22 C ATOM 124 OH TYR A 8 -7.719 -15.607 -12.200 1.00 73.22 O ATOM 0 H TYR A 8 -10.632 -10.785 -13.153 1.00 41.13 H new ATOM 0 HA TYR A 8 -9.107 -10.371 -15.415 1.00 0.35 H new ATOM 0 HB2 TYR A 8 -11.679 -11.969 -15.107 1.00 73.44 H new ATOM 0 HB3 TYR A 8 -10.519 -12.167 -16.406 1.00 73.44 H new ATOM 0 HD1 TYR A 8 -11.570 -14.005 -13.923 1.00 22.01 H new ATOM 0 HD2 TYR A 8 -7.939 -12.002 -14.904 1.00 1.43 H new ATOM 0 HE1 TYR A 8 -10.315 -15.611 -12.555 1.00 33.44 H new ATOM 0 HE2 TYR A 8 -6.682 -13.609 -13.540 1.00 31.41 H new ATOM 0 HH TYR A 8 -8.335 -16.272 -11.827 1.00 73.22 H new ATOM 134 N TYR A 9 -12.110 -9.082 -15.655 1.00 64.15 N ATOM 135 CA TYR A 9 -12.953 -8.202 -16.455 1.00 75.34 C ATOM 136 C TYR A 9 -12.156 -7.012 -16.980 1.00 14.21 C ATOM 137 O TYR A 9 -12.213 -6.688 -18.166 1.00 15.43 O ATOM 138 CB TYR A 9 -14.142 -7.710 -15.628 1.00 1.21 C ATOM 139 CG TYR A 9 -15.030 -8.824 -15.121 1.00 3.32 C ATOM 140 CD1 TYR A 9 -14.872 -9.335 -13.838 1.00 61.14 C ATOM 141 CD2 TYR A 9 -16.025 -9.366 -15.924 1.00 15.40 C ATOM 142 CE1 TYR A 9 -15.680 -10.353 -13.371 1.00 31.21 C ATOM 143 CE2 TYR A 9 -16.839 -10.383 -15.464 1.00 53.23 C ATOM 144 CZ TYR A 9 -16.663 -10.873 -14.187 1.00 64.44 C ATOM 145 OH TYR A 9 -17.470 -11.888 -13.726 1.00 53.43 O ATOM 0 H TYR A 9 -12.491 -9.311 -14.737 1.00 64.15 H new ATOM 0 HA TYR A 9 -13.323 -8.772 -17.307 1.00 75.34 H new ATOM 0 HB2 TYR A 9 -13.770 -7.138 -14.778 1.00 1.21 H new ATOM 0 HB3 TYR A 9 -14.739 -7.029 -16.235 1.00 1.21 H new ATOM 0 HD1 TYR A 9 -14.105 -8.929 -13.196 1.00 61.14 H new ATOM 0 HD2 TYR A 9 -16.165 -8.986 -16.925 1.00 15.40 H new ATOM 0 HE1 TYR A 9 -15.543 -10.740 -12.372 1.00 31.21 H new ATOM 0 HE2 TYR A 9 -17.609 -10.792 -16.101 1.00 53.23 H new ATOM 0 HH TYR A 9 -17.667 -11.744 -12.777 1.00 53.43 H new ATOM 155 N GLN A 10 -11.414 -6.366 -16.087 1.00 4.21 N ATOM 156 CA GLN A 10 -10.605 -5.211 -16.459 1.00 24.21 C ATOM 157 C GLN A 10 -9.426 -5.630 -17.332 1.00 75.50 C ATOM 158 O GLN A 10 -9.083 -4.948 -18.298 1.00 13.34 O ATOM 159 CB GLN A 10 -10.097 -4.493 -15.207 1.00 61.03 C ATOM 160 CG GLN A 10 -11.207 -4.049 -14.269 1.00 1.35 C ATOM 161 CD GLN A 10 -11.794 -2.705 -14.653 1.00 43.03 C ATOM 162 OE1 GLN A 10 -11.105 -1.684 -14.631 1.00 30.51 O ATOM 163 NE2 GLN A 10 -13.073 -2.697 -15.010 1.00 21.44 N ATOM 0 H GLN A 10 -11.356 -6.622 -15.101 1.00 4.21 H new ATOM 0 HA GLN A 10 -11.233 -4.529 -17.031 1.00 24.21 H new ATOM 0 HB2 GLN A 10 -9.420 -5.156 -14.668 1.00 61.03 H new ATOM 0 HB3 GLN A 10 -9.517 -3.621 -15.508 1.00 61.03 H new ATOM 0 HG2 GLN A 10 -11.998 -4.799 -14.267 1.00 1.35 H new ATOM 0 HG3 GLN A 10 -10.818 -3.994 -13.252 1.00 1.35 H new ATOM 0 HE21 GLN A 10 -13.607 -3.566 -15.014 1.00 21.44 H new ATOM 0 HE22 GLN A 10 -13.522 -1.822 -15.280 1.00 21.44 H new ATOM 172 N ILE A 11 -8.811 -6.756 -16.986 1.00 73.21 N ATOM 173 CA ILE A 11 -7.672 -7.266 -17.739 1.00 72.21 C ATOM 174 C ILE A 11 -8.046 -7.524 -19.195 1.00 35.13 C ATOM 175 O ILE A 11 -7.224 -7.360 -20.097 1.00 54.21 O ATOM 176 CB ILE A 11 -7.127 -8.568 -17.123 1.00 0.15 C ATOM 177 CG1 ILE A 11 -6.704 -8.332 -15.671 1.00 35.51 C ATOM 178 CG2 ILE A 11 -5.957 -9.093 -17.942 1.00 14.32 C ATOM 179 CD1 ILE A 11 -6.494 -9.610 -14.888 1.00 51.41 C ATOM 0 H ILE A 11 -9.082 -7.332 -16.189 1.00 73.21 H new ATOM 0 HA ILE A 11 -6.897 -6.501 -17.695 1.00 72.21 H new ATOM 0 HB ILE A 11 -7.918 -9.317 -17.135 1.00 0.15 H new ATOM 0 HG12 ILE A 11 -5.781 -7.752 -15.659 1.00 35.51 H new ATOM 0 HG13 ILE A 11 -7.464 -7.731 -15.173 1.00 35.51 H new ATOM 0 HG21 ILE A 11 -5.583 -10.013 -17.494 1.00 14.32 H new ATOM 0 HG22 ILE A 11 -6.287 -9.294 -18.961 1.00 14.32 H new ATOM 0 HG23 ILE A 11 -5.161 -8.348 -17.959 1.00 14.32 H new ATOM 0 HD11 ILE A 11 -6.196 -9.367 -13.868 1.00 51.41 H new ATOM 0 HD12 ILE A 11 -7.422 -10.181 -14.868 1.00 51.41 H new ATOM 0 HD13 ILE A 11 -5.713 -10.203 -15.363 1.00 51.41 H new ATOM 191 N LEU A 12 -9.293 -7.927 -19.417 1.00 24.33 N ATOM 192 CA LEU A 12 -9.778 -8.206 -20.764 1.00 21.52 C ATOM 193 C LEU A 12 -10.470 -6.984 -21.357 1.00 51.24 C ATOM 194 O LEU A 12 -10.693 -6.909 -22.565 1.00 31.20 O ATOM 195 CB LEU A 12 -10.743 -9.393 -20.744 1.00 24.41 C ATOM 196 CG LEU A 12 -10.113 -10.773 -20.940 1.00 73.12 C ATOM 197 CD1 LEU A 12 -11.040 -11.861 -20.420 1.00 60.34 C ATOM 198 CD2 LEU A 12 -9.785 -11.006 -22.408 1.00 11.32 C ATOM 0 H LEU A 12 -9.986 -8.068 -18.682 1.00 24.33 H new ATOM 0 HA LEU A 12 -8.920 -8.454 -21.389 1.00 21.52 H new ATOM 0 HB2 LEU A 12 -11.272 -9.389 -19.791 1.00 24.41 H new ATOM 0 HB3 LEU A 12 -11.489 -9.242 -21.524 1.00 24.41 H new ATOM 0 HG LEU A 12 -9.185 -10.812 -20.370 1.00 73.12 H new ATOM 0 HD11 LEU A 12 -10.576 -12.836 -20.568 1.00 60.34 H new ATOM 0 HD12 LEU A 12 -11.225 -11.704 -19.357 1.00 60.34 H new ATOM 0 HD13 LEU A 12 -11.985 -11.824 -20.962 1.00 60.34 H new ATOM 0 HD21 LEU A 12 -9.338 -11.993 -22.529 1.00 11.32 H new ATOM 0 HD22 LEU A 12 -10.699 -10.947 -22.999 1.00 11.32 H new ATOM 0 HD23 LEU A 12 -9.083 -10.245 -22.749 1.00 11.32 H new ATOM 210 N GLY A 13 -10.806 -6.025 -20.499 1.00 73.33 N ATOM 211 CA GLY A 13 -11.468 -4.818 -20.958 1.00 3.33 C ATOM 212 C GLY A 13 -12.945 -5.031 -21.223 1.00 1.45 C ATOM 213 O GLY A 13 -13.551 -4.312 -22.018 1.00 25.01 O ATOM 0 H GLY A 13 -10.632 -6.063 -19.495 1.00 73.33 H new ATOM 0 HA2 GLY A 13 -11.346 -4.034 -20.211 1.00 3.33 H new ATOM 0 HA3 GLY A 13 -10.985 -4.467 -21.870 1.00 3.33 H new ATOM 217 N VAL A 14 -13.527 -6.022 -20.556 1.00 33.14 N ATOM 218 CA VAL A 14 -14.943 -6.328 -20.723 1.00 61.43 C ATOM 219 C VAL A 14 -15.728 -6.011 -19.456 1.00 2.25 C ATOM 220 O VAL A 14 -15.198 -6.039 -18.344 1.00 53.14 O ATOM 221 CB VAL A 14 -15.157 -7.809 -21.089 1.00 72.13 C ATOM 222 CG1 VAL A 14 -14.397 -8.161 -22.359 1.00 54.22 C ATOM 223 CG2 VAL A 14 -14.734 -8.709 -19.938 1.00 44.32 C ATOM 0 H VAL A 14 -13.040 -6.627 -19.895 1.00 33.14 H new ATOM 0 HA VAL A 14 -15.308 -5.703 -21.538 1.00 61.43 H new ATOM 0 HB VAL A 14 -16.219 -7.969 -21.274 1.00 72.13 H new ATOM 0 HG11 VAL A 14 -14.560 -9.211 -22.602 1.00 54.22 H new ATOM 0 HG12 VAL A 14 -14.753 -7.539 -23.180 1.00 54.22 H new ATOM 0 HG13 VAL A 14 -13.332 -7.985 -22.206 1.00 54.22 H new ATOM 0 HG21 VAL A 14 -14.892 -9.751 -20.214 1.00 44.32 H new ATOM 0 HG22 VAL A 14 -13.678 -8.548 -19.719 1.00 44.32 H new ATOM 0 HG23 VAL A 14 -15.328 -8.474 -19.055 1.00 44.32 H new ATOM 233 N PRO A 15 -17.022 -5.702 -19.623 1.00 12.51 N ATOM 234 CA PRO A 15 -17.909 -5.374 -18.503 1.00 1.54 C ATOM 235 C PRO A 15 -18.211 -6.586 -17.628 1.00 5.41 C ATOM 236 O PRO A 15 -17.795 -7.703 -17.935 1.00 21.13 O ATOM 237 CB PRO A 15 -19.184 -4.881 -19.192 1.00 2.01 C ATOM 238 CG PRO A 15 -19.168 -5.535 -20.530 1.00 70.51 C ATOM 239 CD PRO A 15 -17.720 -5.649 -20.919 1.00 2.34 C ATOM 0 HA PRO A 15 -17.462 -4.642 -17.830 1.00 1.54 H new ATOM 0 HB2 PRO A 15 -20.073 -5.159 -18.626 1.00 2.01 H new ATOM 0 HB3 PRO A 15 -19.191 -3.795 -19.282 1.00 2.01 H new ATOM 0 HG2 PRO A 15 -19.640 -6.517 -20.490 1.00 70.51 H new ATOM 0 HG3 PRO A 15 -19.723 -4.945 -21.259 1.00 70.51 H new ATOM 0 HD2 PRO A 15 -17.533 -6.543 -21.513 1.00 2.34 H new ATOM 0 HD3 PRO A 15 -17.396 -4.796 -21.516 1.00 2.34 H new ATOM 247 N ARG A 16 -18.936 -6.357 -16.538 1.00 70.31 N ATOM 248 CA ARG A 16 -19.292 -7.431 -15.619 1.00 34.13 C ATOM 249 C ARG A 16 -20.462 -8.247 -16.162 1.00 42.35 C ATOM 250 O ARG A 16 -20.805 -9.296 -15.620 1.00 12.25 O ATOM 251 CB ARG A 16 -19.651 -6.858 -14.246 1.00 62.32 C ATOM 252 CG ARG A 16 -18.507 -6.110 -13.581 1.00 53.01 C ATOM 253 CD ARG A 16 -18.637 -4.607 -13.775 1.00 73.31 C ATOM 254 NE ARG A 16 -19.886 -4.090 -13.221 1.00 45.21 N ATOM 255 CZ ARG A 16 -20.239 -2.811 -13.276 1.00 12.45 C ATOM 256 NH1 ARG A 16 -19.443 -1.923 -13.856 1.00 73.55 N ATOM 257 NH2 ARG A 16 -21.391 -2.417 -12.749 1.00 14.54 N ATOM 0 H ARG A 16 -19.288 -5.438 -16.270 1.00 70.31 H new ATOM 0 HA ARG A 16 -18.429 -8.089 -15.517 1.00 34.13 H new ATOM 0 HB2 ARG A 16 -20.501 -6.184 -14.354 1.00 62.32 H new ATOM 0 HB3 ARG A 16 -19.970 -7.671 -13.594 1.00 62.32 H new ATOM 0 HG2 ARG A 16 -18.491 -6.340 -12.516 1.00 53.01 H new ATOM 0 HG3 ARG A 16 -17.558 -6.451 -13.995 1.00 53.01 H new ATOM 0 HD2 ARG A 16 -17.794 -4.106 -13.299 1.00 73.31 H new ATOM 0 HD3 ARG A 16 -18.588 -4.373 -14.838 1.00 73.31 H new ATOM 0 HE ARG A 16 -20.521 -4.747 -12.768 1.00 45.21 H new ATOM 0 HH11 ARG A 16 -18.556 -2.221 -14.262 1.00 73.55 H new ATOM 0 HH12 ARG A 16 -19.718 -0.942 -13.896 1.00 73.55 H new ATOM 0 HH21 ARG A 16 -22.006 -3.097 -12.301 1.00 14.54 H new ATOM 0 HH22 ARG A 16 -21.662 -1.434 -12.791 1.00 14.54 H new ATOM 271 N ASN A 17 -21.069 -7.756 -17.238 1.00 15.12 N ATOM 272 CA ASN A 17 -22.201 -8.439 -17.855 1.00 11.44 C ATOM 273 C ASN A 17 -21.849 -8.915 -19.260 1.00 65.33 C ATOM 274 O ASN A 17 -22.706 -9.407 -19.993 1.00 51.34 O ATOM 275 CB ASN A 17 -23.416 -7.510 -17.909 1.00 1.14 C ATOM 276 CG ASN A 17 -23.090 -6.168 -18.535 1.00 12.20 C ATOM 277 OD1 ASN A 17 -22.252 -5.421 -18.029 1.00 62.44 O ATOM 278 ND2 ASN A 17 -23.754 -5.855 -19.642 1.00 12.24 N ATOM 0 H ASN A 17 -20.796 -6.889 -17.700 1.00 15.12 H new ATOM 0 HA ASN A 17 -22.444 -9.310 -17.246 1.00 11.44 H new ATOM 0 HB2 ASN A 17 -24.212 -7.990 -18.479 1.00 1.14 H new ATOM 0 HB3 ASN A 17 -23.796 -7.354 -16.899 1.00 1.14 H new ATOM 0 HD21 ASN A 17 -23.578 -4.965 -20.108 1.00 12.24 H new ATOM 0 HD22 ASN A 17 -24.440 -6.505 -20.026 1.00 12.24 H new ATOM 285 N ALA A 18 -20.580 -8.767 -19.629 1.00 13.32 N ATOM 286 CA ALA A 18 -20.113 -9.184 -20.945 1.00 33.20 C ATOM 287 C ALA A 18 -20.379 -10.668 -21.177 1.00 13.23 C ATOM 288 O ALA A 18 -20.589 -11.426 -20.230 1.00 2.12 O ATOM 289 CB ALA A 18 -18.630 -8.882 -21.099 1.00 52.43 C ATOM 0 H ALA A 18 -19.857 -8.361 -19.034 1.00 13.32 H new ATOM 0 HA ALA A 18 -20.667 -8.620 -21.695 1.00 33.20 H new ATOM 0 HB1 ALA A 18 -18.295 -9.199 -22.087 1.00 52.43 H new ATOM 0 HB2 ALA A 18 -18.463 -7.811 -20.985 1.00 52.43 H new ATOM 0 HB3 ALA A 18 -18.068 -9.420 -20.335 1.00 52.43 H new ATOM 295 N SER A 19 -20.370 -11.075 -22.442 1.00 32.42 N ATOM 296 CA SER A 19 -20.615 -12.468 -22.798 1.00 71.01 C ATOM 297 C SER A 19 -19.327 -13.146 -23.256 1.00 34.21 C ATOM 298 O SER A 19 -18.300 -12.493 -23.437 1.00 14.34 O ATOM 299 CB SER A 19 -21.671 -12.556 -23.901 1.00 74.23 C ATOM 300 OG SER A 19 -22.643 -11.534 -23.760 1.00 20.31 O ATOM 0 H SER A 19 -20.196 -10.461 -23.237 1.00 32.42 H new ATOM 0 HA SER A 19 -20.982 -12.985 -21.911 1.00 71.01 H new ATOM 0 HB2 SER A 19 -21.191 -12.473 -24.876 1.00 74.23 H new ATOM 0 HB3 SER A 19 -22.157 -13.531 -23.867 1.00 74.23 H new ATOM 0 HG SER A 19 -23.305 -11.611 -24.478 1.00 20.31 H new ATOM 306 N GLN A 20 -19.392 -14.461 -23.441 1.00 41.31 N ATOM 307 CA GLN A 20 -18.231 -15.228 -23.877 1.00 73.20 C ATOM 308 C GLN A 20 -17.796 -14.809 -25.277 1.00 74.25 C ATOM 309 O GLN A 20 -16.629 -14.945 -25.643 1.00 63.04 O ATOM 310 CB GLN A 20 -18.545 -16.725 -23.854 1.00 73.11 C ATOM 311 CG GLN A 20 -19.267 -17.176 -22.594 1.00 70.15 C ATOM 312 CD GLN A 20 -18.592 -16.687 -21.328 1.00 63.42 C ATOM 313 OE1 GLN A 20 -17.477 -17.315 -20.971 1.00 33.05 O flip ATOM 314 NE2 GLN A 20 -19.066 -15.756 -20.678 1.00 73.13 N flip ATOM 0 H GLN A 20 -20.235 -15.017 -23.296 1.00 41.31 H new ATOM 0 HA GLN A 20 -17.412 -15.025 -23.186 1.00 73.20 H new ATOM 0 HB2 GLN A 20 -19.156 -16.973 -24.722 1.00 73.11 H new ATOM 0 HB3 GLN A 20 -17.614 -17.284 -23.950 1.00 73.11 H new ATOM 0 HG2 GLN A 20 -20.294 -16.811 -22.618 1.00 70.15 H new ATOM 0 HG3 GLN A 20 -19.316 -18.265 -22.578 1.00 70.15 H new ATOM 0 HE21 GLN A 20 -19.925 -15.302 -20.989 1.00 73.13 H new ATOM 0 HE22 GLN A 20 -18.600 -15.438 -19.828 1.00 73.13 H new ATOM 323 N LYS A 21 -18.743 -14.299 -26.058 1.00 32.41 N ATOM 324 CA LYS A 21 -18.459 -13.859 -27.419 1.00 31.15 C ATOM 325 C LYS A 21 -17.756 -12.506 -27.417 1.00 3.32 C ATOM 326 O LYS A 21 -16.821 -12.282 -28.184 1.00 45.35 O ATOM 327 CB LYS A 21 -19.754 -13.772 -28.229 1.00 52.22 C ATOM 328 CG LYS A 21 -20.478 -15.100 -28.364 1.00 61.34 C ATOM 329 CD LYS A 21 -21.642 -15.005 -29.336 1.00 13.40 C ATOM 330 CE LYS A 21 -21.187 -15.209 -30.773 1.00 35.31 C ATOM 331 NZ LYS A 21 -21.100 -16.653 -31.127 1.00 32.24 N ATOM 0 H LYS A 21 -19.715 -14.180 -25.771 1.00 32.41 H new ATOM 0 HA LYS A 21 -17.797 -14.592 -27.881 1.00 31.15 H new ATOM 0 HB2 LYS A 21 -20.421 -13.051 -27.756 1.00 52.22 H new ATOM 0 HB3 LYS A 21 -19.525 -13.390 -29.224 1.00 52.22 H new ATOM 0 HG2 LYS A 21 -19.779 -15.863 -28.706 1.00 61.34 H new ATOM 0 HG3 LYS A 21 -20.844 -15.417 -27.387 1.00 61.34 H new ATOM 0 HD2 LYS A 21 -22.392 -15.754 -29.081 1.00 13.40 H new ATOM 0 HD3 LYS A 21 -22.119 -14.030 -29.239 1.00 13.40 H new ATOM 0 HE2 LYS A 21 -21.882 -14.711 -31.448 1.00 35.31 H new ATOM 0 HE3 LYS A 21 -20.213 -14.741 -30.916 1.00 35.31 H new ATOM 0 HZ1 LYS A 21 -20.787 -16.750 -32.114 1.00 32.24 H new ATOM 0 HZ2 LYS A 21 -20.418 -17.124 -30.499 1.00 32.24 H new ATOM 0 HZ3 LYS A 21 -22.035 -17.095 -31.015 1.00 32.24 H new ATOM 345 N GLU A 22 -18.211 -11.608 -26.549 1.00 14.04 N ATOM 346 CA GLU A 22 -17.624 -10.277 -26.448 1.00 32.12 C ATOM 347 C GLU A 22 -16.194 -10.352 -25.921 1.00 0.01 C ATOM 348 O GLU A 22 -15.361 -9.500 -26.233 1.00 33.14 O ATOM 349 CB GLU A 22 -18.471 -9.390 -25.533 1.00 3.24 C ATOM 350 CG GLU A 22 -17.861 -8.022 -25.277 1.00 41.34 C ATOM 351 CD GLU A 22 -18.903 -6.970 -24.950 1.00 74.23 C ATOM 352 OE1 GLU A 22 -19.165 -6.748 -23.749 1.00 65.13 O ATOM 353 OE2 GLU A 22 -19.458 -6.370 -25.894 1.00 51.03 O ATOM 0 H GLU A 22 -18.984 -11.778 -25.906 1.00 14.04 H new ATOM 0 HA GLU A 22 -17.602 -9.840 -27.446 1.00 32.12 H new ATOM 0 HB2 GLU A 22 -19.458 -9.261 -25.978 1.00 3.24 H new ATOM 0 HB3 GLU A 22 -18.615 -9.899 -24.580 1.00 3.24 H new ATOM 0 HG2 GLU A 22 -17.151 -8.093 -24.453 1.00 41.34 H new ATOM 0 HG3 GLU A 22 -17.298 -7.709 -26.156 1.00 41.34 H new ATOM 360 N ILE A 23 -15.917 -11.376 -25.121 1.00 34.20 N ATOM 361 CA ILE A 23 -14.589 -11.563 -24.551 1.00 42.23 C ATOM 362 C ILE A 23 -13.594 -12.019 -25.614 1.00 12.54 C ATOM 363 O ILE A 23 -12.418 -11.656 -25.575 1.00 70.51 O ATOM 364 CB ILE A 23 -14.607 -12.592 -23.406 1.00 21.22 C ATOM 365 CG1 ILE A 23 -15.531 -12.120 -22.281 1.00 70.24 C ATOM 366 CG2 ILE A 23 -13.198 -12.824 -22.879 1.00 54.53 C ATOM 367 CD1 ILE A 23 -16.138 -13.252 -21.483 1.00 22.53 C ATOM 0 H ILE A 23 -16.595 -12.089 -24.853 1.00 34.20 H new ATOM 0 HA ILE A 23 -14.277 -10.597 -24.155 1.00 42.23 H new ATOM 0 HB ILE A 23 -14.989 -13.537 -23.793 1.00 21.22 H new ATOM 0 HG12 ILE A 23 -14.969 -11.472 -21.608 1.00 70.24 H new ATOM 0 HG13 ILE A 23 -16.332 -11.517 -22.709 1.00 70.24 H new ATOM 0 HG21 ILE A 23 -13.228 -13.554 -22.070 1.00 54.53 H new ATOM 0 HG22 ILE A 23 -12.566 -13.200 -23.684 1.00 54.53 H new ATOM 0 HG23 ILE A 23 -12.790 -11.885 -22.505 1.00 54.53 H new ATOM 0 HD11 ILE A 23 -16.781 -12.844 -20.703 1.00 22.53 H new ATOM 0 HD12 ILE A 23 -16.728 -13.888 -22.144 1.00 22.53 H new ATOM 0 HD13 ILE A 23 -15.343 -13.842 -21.026 1.00 22.53 H new ATOM 379 N LYS A 24 -14.074 -12.814 -26.563 1.00 74.03 N ATOM 380 CA LYS A 24 -13.230 -13.318 -27.640 1.00 5.14 C ATOM 381 C LYS A 24 -12.650 -12.169 -28.459 1.00 64.40 C ATOM 382 O LYS A 24 -11.479 -12.194 -28.840 1.00 72.04 O ATOM 383 CB LYS A 24 -14.030 -14.254 -28.548 1.00 42.34 C ATOM 384 CG LYS A 24 -14.166 -15.664 -28.001 1.00 0.24 C ATOM 385 CD LYS A 24 -15.051 -16.524 -28.888 1.00 3.53 C ATOM 386 CE LYS A 24 -14.361 -16.865 -30.200 1.00 1.24 C ATOM 387 NZ LYS A 24 -15.068 -17.952 -30.931 1.00 64.43 N ATOM 0 H LYS A 24 -15.045 -13.124 -26.609 1.00 74.03 H new ATOM 0 HA LYS A 24 -12.406 -13.874 -27.193 1.00 5.14 H new ATOM 0 HB2 LYS A 24 -15.025 -13.835 -28.701 1.00 42.34 H new ATOM 0 HB3 LYS A 24 -13.549 -14.297 -29.525 1.00 42.34 H new ATOM 0 HG2 LYS A 24 -13.179 -16.120 -27.919 1.00 0.24 H new ATOM 0 HG3 LYS A 24 -14.585 -15.626 -26.995 1.00 0.24 H new ATOM 0 HD2 LYS A 24 -15.311 -17.443 -28.363 1.00 3.53 H new ATOM 0 HD3 LYS A 24 -15.984 -15.999 -29.092 1.00 3.53 H new ATOM 0 HE2 LYS A 24 -14.315 -15.975 -30.828 1.00 1.24 H new ATOM 0 HE3 LYS A 24 -13.333 -17.169 -30.002 1.00 1.24 H new ATOM 0 HZ1 LYS A 24 -14.567 -18.156 -31.820 1.00 64.43 H new ATOM 0 HZ2 LYS A 24 -15.090 -18.809 -30.342 1.00 64.43 H new ATOM 0 HZ3 LYS A 24 -16.041 -17.652 -31.143 1.00 64.43 H new ATOM 401 N LYS A 25 -13.475 -11.163 -28.726 1.00 32.13 N ATOM 402 CA LYS A 25 -13.044 -10.003 -29.497 1.00 74.44 C ATOM 403 C LYS A 25 -12.139 -9.102 -28.665 1.00 3.43 C ATOM 404 O LYS A 25 -11.073 -8.687 -29.119 1.00 23.30 O ATOM 405 CB LYS A 25 -14.259 -9.212 -29.988 1.00 2.54 C ATOM 406 CG LYS A 25 -15.094 -9.954 -31.016 1.00 51.02 C ATOM 407 CD LYS A 25 -16.556 -9.546 -30.947 1.00 12.12 C ATOM 408 CE LYS A 25 -16.764 -8.128 -31.457 1.00 21.05 C ATOM 409 NZ LYS A 25 -16.645 -8.048 -32.939 1.00 24.42 N ATOM 0 H LYS A 25 -14.447 -11.127 -28.419 1.00 32.13 H new ATOM 0 HA LYS A 25 -12.478 -10.360 -30.358 1.00 74.44 H new ATOM 0 HB2 LYS A 25 -14.888 -8.962 -29.134 1.00 2.54 H new ATOM 0 HB3 LYS A 25 -13.919 -8.271 -30.420 1.00 2.54 H new ATOM 0 HG2 LYS A 25 -14.706 -9.753 -32.015 1.00 51.02 H new ATOM 0 HG3 LYS A 25 -15.007 -11.028 -30.850 1.00 51.02 H new ATOM 0 HD2 LYS A 25 -17.156 -10.238 -31.538 1.00 12.12 H new ATOM 0 HD3 LYS A 25 -16.907 -9.619 -29.918 1.00 12.12 H new ATOM 0 HE2 LYS A 25 -17.749 -7.773 -31.152 1.00 21.05 H new ATOM 0 HE3 LYS A 25 -16.030 -7.466 -30.998 1.00 21.05 H new ATOM 0 HZ1 LYS A 25 -16.909 -7.094 -33.257 1.00 24.42 H new ATOM 0 HZ2 LYS A 25 -15.664 -8.248 -33.220 1.00 24.42 H new ATOM 0 HZ3 LYS A 25 -17.279 -8.747 -33.376 1.00 24.42 H new ATOM 423 N ALA A 26 -12.570 -8.803 -27.444 1.00 2.04 N ATOM 424 CA ALA A 26 -11.796 -7.954 -26.547 1.00 1.42 C ATOM 425 C ALA A 26 -10.437 -8.574 -26.240 1.00 1.40 C ATOM 426 O ALA A 26 -9.458 -7.864 -26.010 1.00 5.30 O ATOM 427 CB ALA A 26 -12.567 -7.704 -25.259 1.00 73.52 C ATOM 0 H ALA A 26 -13.451 -9.136 -27.053 1.00 2.04 H new ATOM 0 HA ALA A 26 -11.627 -7.000 -27.047 1.00 1.42 H new ATOM 0 HB1 ALA A 26 -11.977 -7.069 -24.599 1.00 73.52 H new ATOM 0 HB2 ALA A 26 -13.511 -7.210 -25.490 1.00 73.52 H new ATOM 0 HB3 ALA A 26 -12.767 -8.654 -24.764 1.00 73.52 H new ATOM 433 N TYR A 27 -10.385 -9.901 -26.237 1.00 44.15 N ATOM 434 CA TYR A 27 -9.146 -10.616 -25.956 1.00 22.44 C ATOM 435 C TYR A 27 -8.170 -10.496 -27.122 1.00 5.22 C ATOM 436 O TYR A 27 -6.956 -10.429 -26.926 1.00 22.51 O ATOM 437 CB TYR A 27 -9.437 -12.091 -25.670 1.00 53.43 C ATOM 438 CG TYR A 27 -8.195 -12.949 -25.589 1.00 52.22 C ATOM 439 CD1 TYR A 27 -7.169 -12.638 -24.706 1.00 2.24 C ATOM 440 CD2 TYR A 27 -8.047 -14.070 -26.397 1.00 12.25 C ATOM 441 CE1 TYR A 27 -6.032 -13.419 -24.628 1.00 43.53 C ATOM 442 CE2 TYR A 27 -6.914 -14.857 -26.325 1.00 73.00 C ATOM 443 CZ TYR A 27 -5.909 -14.527 -25.440 1.00 33.33 C ATOM 444 OH TYR A 27 -4.779 -15.308 -25.366 1.00 64.15 O ATOM 0 H TYR A 27 -11.186 -10.503 -26.426 1.00 44.15 H new ATOM 0 HA TYR A 27 -8.689 -10.165 -25.075 1.00 22.44 H new ATOM 0 HB2 TYR A 27 -9.984 -12.169 -24.730 1.00 53.43 H new ATOM 0 HB3 TYR A 27 -10.088 -12.482 -26.452 1.00 53.43 H new ATOM 0 HD1 TYR A 27 -7.262 -11.771 -24.069 1.00 2.24 H new ATOM 0 HD2 TYR A 27 -8.831 -14.330 -27.093 1.00 12.25 H new ATOM 0 HE1 TYR A 27 -5.244 -13.163 -23.935 1.00 43.53 H new ATOM 0 HE2 TYR A 27 -6.816 -15.726 -26.958 1.00 73.00 H new ATOM 0 HH TYR A 27 -4.851 -16.049 -26.003 1.00 64.15 H new ATOM 454 N TYR A 28 -8.709 -10.467 -28.335 1.00 62.53 N ATOM 455 CA TYR A 28 -7.887 -10.357 -29.535 1.00 1.45 C ATOM 456 C TYR A 28 -7.347 -8.939 -29.696 1.00 4.04 C ATOM 457 O TYR A 28 -6.155 -8.741 -29.933 1.00 34.12 O ATOM 458 CB TYR A 28 -8.697 -10.749 -30.771 1.00 63.34 C ATOM 459 CG TYR A 28 -7.935 -10.593 -32.068 1.00 72.43 C ATOM 460 CD1 TYR A 28 -8.412 -9.771 -33.082 1.00 3.33 C ATOM 461 CD2 TYR A 28 -6.740 -11.269 -32.281 1.00 32.41 C ATOM 462 CE1 TYR A 28 -7.720 -9.626 -34.269 1.00 2.44 C ATOM 463 CE2 TYR A 28 -6.041 -11.129 -33.464 1.00 21.20 C ATOM 464 CZ TYR A 28 -6.535 -10.306 -34.455 1.00 22.52 C ATOM 465 OH TYR A 28 -5.842 -10.165 -35.635 1.00 60.33 O ATOM 0 H TYR A 28 -9.712 -10.518 -28.514 1.00 62.53 H new ATOM 0 HA TYR A 28 -7.043 -11.039 -29.431 1.00 1.45 H new ATOM 0 HB2 TYR A 28 -9.019 -11.786 -30.671 1.00 63.34 H new ATOM 0 HB3 TYR A 28 -9.599 -10.138 -30.813 1.00 63.34 H new ATOM 0 HD1 TYR A 28 -9.340 -9.236 -32.940 1.00 3.33 H new ATOM 0 HD2 TYR A 28 -6.351 -11.915 -31.508 1.00 32.41 H new ATOM 0 HE1 TYR A 28 -8.105 -8.984 -35.047 1.00 2.44 H new ATOM 0 HE2 TYR A 28 -5.113 -11.661 -33.612 1.00 21.20 H new ATOM 0 HH TYR A 28 -5.028 -10.710 -35.604 1.00 60.33 H new ATOM 475 N GLN A 29 -8.232 -7.957 -29.564 1.00 53.22 N ATOM 476 CA GLN A 29 -7.845 -6.557 -29.695 1.00 71.10 C ATOM 477 C GLN A 29 -6.789 -6.185 -28.659 1.00 71.34 C ATOM 478 O GLN A 29 -5.903 -5.372 -28.925 1.00 62.22 O ATOM 479 CB GLN A 29 -9.068 -5.651 -29.542 1.00 31.24 C ATOM 480 CG GLN A 29 -9.540 -5.504 -28.104 1.00 5.21 C ATOM 481 CD GLN A 29 -10.695 -4.532 -27.965 1.00 45.22 C ATOM 482 OE1 GLN A 29 -10.556 -3.467 -27.363 1.00 44.44 O ATOM 483 NE2 GLN A 29 -11.844 -4.894 -28.523 1.00 62.11 N ATOM 0 H GLN A 29 -9.222 -8.104 -29.366 1.00 53.22 H new ATOM 0 HA GLN A 29 -7.419 -6.415 -30.688 1.00 71.10 H new ATOM 0 HB2 GLN A 29 -8.831 -4.665 -29.941 1.00 31.24 H new ATOM 0 HB3 GLN A 29 -9.884 -6.051 -30.144 1.00 31.24 H new ATOM 0 HG2 GLN A 29 -9.843 -6.479 -27.724 1.00 5.21 H new ATOM 0 HG3 GLN A 29 -8.709 -5.165 -27.486 1.00 5.21 H new ATOM 0 HE21 GLN A 29 -11.914 -5.786 -29.013 1.00 62.11 H new ATOM 0 HE22 GLN A 29 -12.656 -4.280 -28.462 1.00 62.11 H new ATOM 492 N LEU A 30 -6.889 -6.785 -27.478 1.00 52.13 N ATOM 493 CA LEU A 30 -5.942 -6.517 -26.401 1.00 54.33 C ATOM 494 C LEU A 30 -4.590 -7.158 -26.693 1.00 62.41 C ATOM 495 O LEU A 30 -3.543 -6.554 -26.463 1.00 24.42 O ATOM 496 CB LEU A 30 -6.491 -7.038 -25.072 1.00 21.01 C ATOM 497 CG LEU A 30 -6.912 -5.975 -24.056 1.00 61.15 C ATOM 498 CD1 LEU A 30 -7.808 -4.936 -24.712 1.00 43.31 C ATOM 499 CD2 LEU A 30 -7.617 -6.619 -22.872 1.00 14.02 C ATOM 0 H LEU A 30 -7.616 -7.460 -27.242 1.00 52.13 H new ATOM 0 HA LEU A 30 -5.804 -5.438 -26.332 1.00 54.33 H new ATOM 0 HB2 LEU A 30 -7.352 -7.673 -25.281 1.00 21.01 H new ATOM 0 HB3 LEU A 30 -5.733 -7.671 -24.612 1.00 21.01 H new ATOM 0 HG LEU A 30 -6.016 -5.473 -23.690 1.00 61.15 H new ATOM 0 HD11 LEU A 30 -8.098 -4.188 -23.974 1.00 43.31 H new ATOM 0 HD12 LEU A 30 -7.269 -4.453 -25.527 1.00 43.31 H new ATOM 0 HD13 LEU A 30 -8.701 -5.422 -25.106 1.00 43.31 H new ATOM 0 HD21 LEU A 30 -7.909 -5.848 -22.159 1.00 14.02 H new ATOM 0 HD22 LEU A 30 -8.505 -7.147 -23.220 1.00 14.02 H new ATOM 0 HD23 LEU A 30 -6.943 -7.325 -22.387 1.00 14.02 H new ATOM 511 N ALA A 31 -4.620 -8.385 -27.203 1.00 73.21 N ATOM 512 CA ALA A 31 -3.397 -9.107 -27.531 1.00 30.04 C ATOM 513 C ALA A 31 -2.544 -8.321 -28.520 1.00 42.31 C ATOM 514 O ALA A 31 -1.324 -8.237 -28.375 1.00 30.30 O ATOM 515 CB ALA A 31 -3.730 -10.481 -28.093 1.00 24.21 C ATOM 0 H ALA A 31 -5.479 -8.900 -27.398 1.00 73.21 H new ATOM 0 HA ALA A 31 -2.821 -9.232 -26.614 1.00 30.04 H new ATOM 0 HB1 ALA A 31 -2.807 -11.009 -28.334 1.00 24.21 H new ATOM 0 HB2 ALA A 31 -4.292 -11.051 -27.353 1.00 24.21 H new ATOM 0 HB3 ALA A 31 -4.330 -10.369 -28.996 1.00 24.21 H new ATOM 521 N LYS A 32 -3.192 -7.746 -29.527 1.00 55.30 N ATOM 522 CA LYS A 32 -2.494 -6.965 -30.541 1.00 71.13 C ATOM 523 C LYS A 32 -1.725 -5.811 -29.906 1.00 23.41 C ATOM 524 O LYS A 32 -0.768 -5.296 -30.485 1.00 13.32 O ATOM 525 CB LYS A 32 -3.488 -6.423 -31.571 1.00 61.43 C ATOM 526 CG LYS A 32 -4.052 -7.491 -32.493 1.00 22.25 C ATOM 527 CD LYS A 32 -5.489 -7.189 -32.883 1.00 43.52 C ATOM 528 CE LYS A 32 -5.598 -5.864 -33.623 1.00 61.23 C ATOM 529 NZ LYS A 32 -6.930 -5.697 -34.268 1.00 21.12 N ATOM 0 H LYS A 32 -4.201 -7.806 -29.663 1.00 55.30 H new ATOM 0 HA LYS A 32 -1.782 -7.621 -31.042 1.00 71.13 H new ATOM 0 HB2 LYS A 32 -4.311 -5.935 -31.048 1.00 61.43 H new ATOM 0 HB3 LYS A 32 -2.995 -5.659 -32.172 1.00 61.43 H new ATOM 0 HG2 LYS A 32 -3.437 -7.560 -33.390 1.00 22.25 H new ATOM 0 HG3 LYS A 32 -4.004 -8.461 -31.999 1.00 22.25 H new ATOM 0 HD2 LYS A 32 -5.873 -7.992 -33.513 1.00 43.52 H new ATOM 0 HD3 LYS A 32 -6.112 -7.160 -31.989 1.00 43.52 H new ATOM 0 HE2 LYS A 32 -5.427 -5.044 -32.926 1.00 61.23 H new ATOM 0 HE3 LYS A 32 -4.817 -5.806 -34.382 1.00 61.23 H new ATOM 0 HZ1 LYS A 32 -6.964 -4.782 -34.762 1.00 21.12 H new ATOM 0 HZ2 LYS A 32 -7.083 -6.466 -34.952 1.00 21.12 H new ATOM 0 HZ3 LYS A 32 -7.674 -5.726 -33.542 1.00 21.12 H new ATOM 543 N LYS A 33 -2.147 -5.411 -28.711 1.00 73.34 N ATOM 544 CA LYS A 33 -1.497 -4.320 -27.995 1.00 70.41 C ATOM 545 C LYS A 33 -0.172 -4.778 -27.393 1.00 72.14 C ATOM 546 O LYS A 33 0.793 -4.016 -27.342 1.00 5.11 O ATOM 547 CB LYS A 33 -2.414 -3.789 -26.891 1.00 73.42 C ATOM 548 CG LYS A 33 -3.857 -3.611 -27.332 1.00 63.23 C ATOM 549 CD LYS A 33 -4.668 -2.856 -26.293 1.00 53.34 C ATOM 550 CE LYS A 33 -5.773 -2.033 -26.939 1.00 63.12 C ATOM 551 NZ LYS A 33 -6.530 -1.236 -25.935 1.00 11.11 N ATOM 0 H LYS A 33 -2.937 -5.827 -28.218 1.00 73.34 H new ATOM 0 HA LYS A 33 -1.296 -3.520 -28.708 1.00 70.41 H new ATOM 0 HB2 LYS A 33 -2.384 -4.474 -26.044 1.00 73.42 H new ATOM 0 HB3 LYS A 33 -2.029 -2.831 -26.540 1.00 73.42 H new ATOM 0 HG2 LYS A 33 -3.885 -3.072 -28.279 1.00 63.23 H new ATOM 0 HG3 LYS A 33 -4.308 -4.588 -27.508 1.00 63.23 H new ATOM 0 HD2 LYS A 33 -5.104 -3.562 -25.587 1.00 53.34 H new ATOM 0 HD3 LYS A 33 -4.010 -2.200 -25.723 1.00 53.34 H new ATOM 0 HE2 LYS A 33 -5.340 -1.364 -27.682 1.00 63.12 H new ATOM 0 HE3 LYS A 33 -6.458 -2.696 -27.468 1.00 63.12 H new ATOM 0 HZ1 LYS A 33 -7.274 -0.689 -26.415 1.00 11.11 H new ATOM 0 HZ2 LYS A 33 -6.965 -1.876 -25.240 1.00 11.11 H new ATOM 0 HZ3 LYS A 33 -5.881 -0.585 -25.448 1.00 11.11 H new ATOM 565 N TYR A 34 -0.133 -6.026 -26.941 1.00 71.40 N ATOM 566 CA TYR A 34 1.073 -6.585 -26.342 1.00 43.12 C ATOM 567 C TYR A 34 1.641 -7.707 -27.206 1.00 1.00 C ATOM 568 O TYR A 34 2.325 -8.603 -26.710 1.00 11.01 O ATOM 569 CB TYR A 34 0.774 -7.109 -24.937 1.00 25.52 C ATOM 570 CG TYR A 34 0.116 -6.088 -24.037 1.00 30.53 C ATOM 571 CD1 TYR A 34 0.874 -5.281 -23.198 1.00 10.10 C ATOM 572 CD2 TYR A 34 -1.265 -5.931 -24.026 1.00 5.12 C ATOM 573 CE1 TYR A 34 0.276 -4.347 -22.373 1.00 64.45 C ATOM 574 CE2 TYR A 34 -1.871 -4.999 -23.206 1.00 3.13 C ATOM 575 CZ TYR A 34 -1.096 -4.210 -22.381 1.00 70.01 C ATOM 576 OH TYR A 34 -1.695 -3.280 -21.562 1.00 70.33 O ATOM 0 H TYR A 34 -0.923 -6.670 -26.978 1.00 71.40 H new ATOM 0 HA TYR A 34 1.817 -5.791 -26.275 1.00 43.12 H new ATOM 0 HB2 TYR A 34 0.127 -7.983 -25.014 1.00 25.52 H new ATOM 0 HB3 TYR A 34 1.705 -7.441 -24.476 1.00 25.52 H new ATOM 0 HD1 TYR A 34 1.949 -5.385 -23.190 1.00 10.10 H new ATOM 0 HD2 TYR A 34 -1.875 -6.548 -24.669 1.00 5.12 H new ATOM 0 HE1 TYR A 34 0.880 -3.728 -21.726 1.00 64.45 H new ATOM 0 HE2 TYR A 34 -2.945 -4.889 -23.211 1.00 3.13 H new ATOM 0 HH TYR A 34 -2.666 -3.310 -21.689 1.00 70.33 H new ATOM 586 N HIS A 35 1.353 -7.651 -28.502 1.00 52.54 N ATOM 587 CA HIS A 35 1.835 -8.661 -29.437 1.00 41.25 C ATOM 588 C HIS A 35 3.354 -8.787 -29.366 1.00 11.34 C ATOM 589 O HIS A 35 4.054 -7.890 -28.895 1.00 12.11 O ATOM 590 CB HIS A 35 1.408 -8.312 -30.863 1.00 55.24 C ATOM 591 CG HIS A 35 0.322 -9.195 -31.396 1.00 70.44 C ATOM 592 ND1 HIS A 35 -0.631 -9.784 -30.593 1.00 35.40 N ATOM 593 CD2 HIS A 35 0.041 -9.588 -32.661 1.00 12.31 C ATOM 594 CE1 HIS A 35 -1.451 -10.502 -31.340 1.00 71.20 C ATOM 595 NE2 HIS A 35 -1.065 -10.399 -32.599 1.00 72.31 N ATOM 0 H HIS A 35 0.788 -6.917 -28.929 1.00 52.54 H new ATOM 0 HA HIS A 35 1.395 -9.618 -29.157 1.00 41.25 H new ATOM 0 HB2 HIS A 35 1.068 -7.277 -30.889 1.00 55.24 H new ATOM 0 HB3 HIS A 35 2.275 -8.380 -31.520 1.00 55.24 H new ATOM 0 HD1 HIS A 35 -0.693 -9.682 -29.580 1.00 35.40 H new ATOM 0 HD2 HIS A 35 0.586 -9.314 -33.553 1.00 12.31 H new ATOM 0 HE1 HIS A 35 -2.293 -11.075 -30.982 1.00 71.20 H new ATOM 603 N PRO A 36 3.877 -9.926 -29.842 1.00 60.13 N ATOM 604 CA PRO A 36 5.318 -10.196 -29.843 1.00 32.23 C ATOM 605 C PRO A 36 6.072 -9.319 -30.837 1.00 33.33 C ATOM 606 O PRO A 36 7.274 -9.096 -30.694 1.00 50.33 O ATOM 607 CB PRO A 36 5.403 -11.668 -30.256 1.00 53.41 C ATOM 608 CG PRO A 36 4.157 -11.915 -31.035 1.00 11.23 C ATOM 609 CD PRO A 36 3.102 -11.038 -30.418 1.00 63.10 C ATOM 0 HA PRO A 36 5.773 -9.984 -28.875 1.00 32.23 H new ATOM 0 HB2 PRO A 36 6.291 -11.860 -30.858 1.00 53.41 H new ATOM 0 HB3 PRO A 36 5.462 -12.321 -29.385 1.00 53.41 H new ATOM 0 HG2 PRO A 36 4.300 -11.671 -32.088 1.00 11.23 H new ATOM 0 HG3 PRO A 36 3.869 -12.965 -30.987 1.00 11.23 H new ATOM 0 HD2 PRO A 36 2.386 -10.686 -31.161 1.00 63.10 H new ATOM 0 HD3 PRO A 36 2.534 -11.569 -29.655 1.00 63.10 H new ATOM 617 N ASP A 37 5.358 -8.825 -31.842 1.00 62.23 N ATOM 618 CA ASP A 37 5.960 -7.971 -32.860 1.00 11.04 C ATOM 619 C ASP A 37 6.511 -6.691 -32.238 1.00 74.22 C ATOM 620 O ASP A 37 7.384 -6.037 -32.808 1.00 43.33 O ATOM 621 CB ASP A 37 4.933 -7.627 -33.940 1.00 23.30 C ATOM 622 CG ASP A 37 5.582 -7.276 -35.264 1.00 40.33 C ATOM 623 OD1 ASP A 37 5.420 -6.123 -35.717 1.00 42.02 O ATOM 624 OD2 ASP A 37 6.252 -8.153 -35.847 1.00 44.05 O ATOM 0 H ASP A 37 4.362 -9.001 -31.974 1.00 62.23 H new ATOM 0 HA ASP A 37 6.786 -8.517 -33.316 1.00 11.04 H new ATOM 0 HB2 ASP A 37 4.261 -8.473 -34.081 1.00 23.30 H new ATOM 0 HB3 ASP A 37 4.323 -6.788 -33.604 1.00 23.30 H new ATOM 629 N THR A 38 5.993 -6.338 -31.066 1.00 30.35 N ATOM 630 CA THR A 38 6.431 -5.136 -30.368 1.00 34.14 C ATOM 631 C THR A 38 7.220 -5.486 -29.111 1.00 75.21 C ATOM 632 O THR A 38 7.585 -4.608 -28.331 1.00 52.44 O ATOM 633 CB THR A 38 5.235 -4.246 -29.978 1.00 63.02 C ATOM 634 OG1 THR A 38 4.535 -4.823 -28.871 1.00 31.43 O ATOM 635 CG2 THR A 38 4.284 -4.074 -31.152 1.00 53.24 C ATOM 0 H THR A 38 5.269 -6.868 -30.580 1.00 30.35 H new ATOM 0 HA THR A 38 7.074 -4.588 -31.056 1.00 34.14 H new ATOM 0 HB THR A 38 5.617 -3.266 -29.694 1.00 63.02 H new ATOM 0 HG1 THR A 38 4.451 -5.790 -29.005 1.00 31.43 H new ATOM 0 HG21 THR A 38 3.448 -3.442 -30.853 1.00 53.24 H new ATOM 0 HG22 THR A 38 4.813 -3.607 -31.983 1.00 53.24 H new ATOM 0 HG23 THR A 38 3.909 -5.049 -31.462 1.00 53.24 H new ATOM 643 N ASN A 39 7.480 -6.776 -28.921 1.00 53.34 N ATOM 644 CA ASN A 39 8.226 -7.242 -27.758 1.00 42.25 C ATOM 645 C ASN A 39 9.729 -7.186 -28.018 1.00 54.03 C ATOM 646 O ASN A 39 10.535 -7.424 -27.119 1.00 60.41 O ATOM 647 CB ASN A 39 7.812 -8.670 -27.400 1.00 22.44 C ATOM 648 CG ASN A 39 6.659 -8.708 -26.416 1.00 33.11 C ATOM 649 OD1 ASN A 39 6.679 -9.468 -25.448 1.00 33.14 O ATOM 650 ND2 ASN A 39 5.645 -7.886 -26.661 1.00 3.42 N ATOM 0 H ASN A 39 7.185 -7.517 -29.557 1.00 53.34 H new ATOM 0 HA ASN A 39 7.995 -6.583 -26.921 1.00 42.25 H new ATOM 0 HB2 ASN A 39 7.529 -9.202 -28.308 1.00 22.44 H new ATOM 0 HB3 ASN A 39 8.666 -9.197 -26.975 1.00 22.44 H new ATOM 0 HD21 ASN A 39 4.840 -7.868 -26.034 1.00 3.42 H new ATOM 0 HD22 ASN A 39 5.671 -7.273 -27.476 1.00 3.42 H new ATOM 657 N LYS A 40 10.098 -6.869 -29.255 1.00 2.45 N ATOM 658 CA LYS A 40 11.503 -6.779 -29.634 1.00 40.14 C ATOM 659 C LYS A 40 12.251 -5.808 -28.726 1.00 63.42 C ATOM 660 O LYS A 40 13.388 -6.065 -28.330 1.00 63.21 O ATOM 661 CB LYS A 40 11.631 -6.331 -31.092 1.00 71.53 C ATOM 662 CG LYS A 40 12.043 -7.447 -32.037 1.00 72.10 C ATOM 663 CD LYS A 40 10.835 -8.191 -32.582 1.00 11.13 C ATOM 664 CE LYS A 40 10.508 -9.415 -31.740 1.00 60.01 C ATOM 665 NZ LYS A 40 10.992 -10.671 -32.377 1.00 33.21 N ATOM 0 H LYS A 40 9.443 -6.670 -30.012 1.00 2.45 H new ATOM 0 HA LYS A 40 11.947 -7.768 -29.523 1.00 40.14 H new ATOM 0 HB2 LYS A 40 10.677 -5.920 -31.422 1.00 71.53 H new ATOM 0 HB3 LYS A 40 12.363 -5.526 -31.153 1.00 71.53 H new ATOM 0 HG2 LYS A 40 12.619 -7.031 -32.864 1.00 72.10 H new ATOM 0 HG3 LYS A 40 12.696 -8.146 -31.514 1.00 72.10 H new ATOM 0 HD2 LYS A 40 9.974 -7.523 -32.604 1.00 11.13 H new ATOM 0 HD3 LYS A 40 11.028 -8.496 -33.610 1.00 11.13 H new ATOM 0 HE2 LYS A 40 10.961 -9.310 -30.754 1.00 60.01 H new ATOM 0 HE3 LYS A 40 9.430 -9.476 -31.590 1.00 60.01 H new ATOM 0 HZ1 LYS A 40 10.750 -11.482 -31.773 1.00 33.21 H new ATOM 0 HZ2 LYS A 40 10.540 -10.785 -33.307 1.00 33.21 H new ATOM 0 HZ3 LYS A 40 12.024 -10.624 -32.497 1.00 33.21 H new ATOM 679 N ASP A 41 11.606 -4.694 -28.399 1.00 72.31 N ATOM 680 CA ASP A 41 12.210 -3.686 -27.535 1.00 75.52 C ATOM 681 C ASP A 41 11.393 -3.505 -26.259 1.00 43.03 C ATOM 682 O ASP A 41 11.558 -2.520 -25.540 1.00 3.42 O ATOM 683 CB ASP A 41 12.326 -2.353 -28.275 1.00 54.02 C ATOM 684 CG ASP A 41 13.541 -2.297 -29.179 1.00 42.54 C ATOM 685 OD1 ASP A 41 13.448 -2.777 -30.328 1.00 43.01 O ATOM 686 OD2 ASP A 41 14.586 -1.773 -28.738 1.00 53.31 O ATOM 0 H ASP A 41 10.665 -4.466 -28.719 1.00 72.31 H new ATOM 0 HA ASP A 41 13.208 -4.028 -27.261 1.00 75.52 H new ATOM 0 HB2 ASP A 41 11.427 -2.191 -28.869 1.00 54.02 H new ATOM 0 HB3 ASP A 41 12.379 -1.541 -27.549 1.00 54.02 H new ATOM 691 N ASP A 42 10.512 -4.461 -25.986 1.00 3.12 N ATOM 692 CA ASP A 42 9.670 -4.407 -24.797 1.00 12.23 C ATOM 693 C ASP A 42 9.596 -5.772 -24.121 1.00 32.33 C ATOM 694 O ASP A 42 8.643 -6.531 -24.301 1.00 12.31 O ATOM 695 CB ASP A 42 8.264 -3.928 -25.163 1.00 20.31 C ATOM 696 CG ASP A 42 7.620 -3.120 -24.054 1.00 4.32 C ATOM 697 OD1 ASP A 42 8.362 -2.481 -23.278 1.00 11.22 O ATOM 698 OD2 ASP A 42 6.375 -3.125 -23.962 1.00 42.12 O ATOM 0 H ASP A 42 10.362 -5.282 -26.572 1.00 3.12 H new ATOM 0 HA ASP A 42 10.116 -3.699 -24.098 1.00 12.23 H new ATOM 0 HB2 ASP A 42 8.314 -3.322 -26.068 1.00 20.31 H new ATOM 0 HB3 ASP A 42 7.638 -4.790 -25.391 1.00 20.31 H new ATOM 703 N PRO A 43 10.625 -6.095 -23.324 1.00 65.21 N ATOM 704 CA PRO A 43 10.701 -7.371 -22.606 1.00 12.35 C ATOM 705 C PRO A 43 9.675 -7.464 -21.481 1.00 73.24 C ATOM 706 O PRO A 43 9.501 -8.519 -20.871 1.00 71.43 O ATOM 707 CB PRO A 43 12.121 -7.373 -22.035 1.00 0.14 C ATOM 708 CG PRO A 43 12.486 -5.933 -21.921 1.00 40.05 C ATOM 709 CD PRO A 43 11.795 -5.240 -23.063 1.00 43.31 C ATOM 0 HA PRO A 43 10.488 -8.219 -23.257 1.00 12.35 H new ATOM 0 HB2 PRO A 43 12.157 -7.868 -21.065 1.00 0.14 H new ATOM 0 HB3 PRO A 43 12.810 -7.905 -22.690 1.00 0.14 H new ATOM 0 HG2 PRO A 43 12.164 -5.523 -20.964 1.00 40.05 H new ATOM 0 HG3 PRO A 43 13.566 -5.798 -21.979 1.00 40.05 H new ATOM 0 HD2 PRO A 43 11.500 -4.225 -22.797 1.00 43.31 H new ATOM 0 HD3 PRO A 43 12.441 -5.165 -23.938 1.00 43.31 H new ATOM 717 N LYS A 44 8.996 -6.354 -21.212 1.00 42.01 N ATOM 718 CA LYS A 44 7.985 -6.310 -20.162 1.00 63.23 C ATOM 719 C LYS A 44 6.599 -6.595 -20.730 1.00 75.01 C ATOM 720 O LYS A 44 5.695 -7.011 -20.006 1.00 74.21 O ATOM 721 CB LYS A 44 7.995 -4.944 -19.473 1.00 40.10 C ATOM 722 CG LYS A 44 8.764 -4.929 -18.163 1.00 15.10 C ATOM 723 CD LYS A 44 8.141 -5.865 -17.141 1.00 1.04 C ATOM 724 CE LYS A 44 8.665 -5.589 -15.740 1.00 4.41 C ATOM 725 NZ LYS A 44 7.957 -6.401 -14.712 1.00 50.42 N ATOM 0 H LYS A 44 9.128 -5.472 -21.707 1.00 42.01 H new ATOM 0 HA LYS A 44 8.224 -7.081 -19.429 1.00 63.23 H new ATOM 0 HB2 LYS A 44 8.431 -4.209 -20.149 1.00 40.10 H new ATOM 0 HB3 LYS A 44 6.967 -4.634 -19.285 1.00 40.10 H new ATOM 0 HG2 LYS A 44 9.798 -5.222 -18.344 1.00 15.10 H new ATOM 0 HG3 LYS A 44 8.785 -3.915 -17.764 1.00 15.10 H new ATOM 0 HD2 LYS A 44 7.057 -5.750 -17.154 1.00 1.04 H new ATOM 0 HD3 LYS A 44 8.356 -6.898 -17.414 1.00 1.04 H new ATOM 0 HE2 LYS A 44 9.732 -5.806 -15.702 1.00 4.41 H new ATOM 0 HE3 LYS A 44 8.547 -4.530 -15.510 1.00 4.41 H new ATOM 0 HZ1 LYS A 44 8.343 -6.184 -13.771 1.00 50.42 H new ATOM 0 HZ2 LYS A 44 6.942 -6.175 -14.730 1.00 50.42 H new ATOM 0 HZ3 LYS A 44 8.090 -7.412 -14.916 1.00 50.42 H new ATOM 739 N ALA A 45 6.439 -6.369 -22.030 1.00 34.30 N ATOM 740 CA ALA A 45 5.163 -6.605 -22.695 1.00 61.20 C ATOM 741 C ALA A 45 4.744 -8.066 -22.576 1.00 33.45 C ATOM 742 O ALA A 45 3.570 -8.371 -22.361 1.00 42.00 O ATOM 743 CB ALA A 45 5.247 -6.196 -24.158 1.00 62.21 C ATOM 0 H ALA A 45 7.177 -6.023 -22.643 1.00 34.30 H new ATOM 0 HA ALA A 45 4.406 -5.996 -22.201 1.00 61.20 H new ATOM 0 HB1 ALA A 45 4.288 -6.378 -24.642 1.00 62.21 H new ATOM 0 HB2 ALA A 45 5.493 -5.136 -24.226 1.00 62.21 H new ATOM 0 HB3 ALA A 45 6.021 -6.781 -24.655 1.00 62.21 H new ATOM 749 N LYS A 46 5.710 -8.968 -22.716 1.00 53.24 N ATOM 750 CA LYS A 46 5.442 -10.398 -22.624 1.00 33.02 C ATOM 751 C LYS A 46 4.795 -10.745 -21.287 1.00 23.05 C ATOM 752 O LYS A 46 3.986 -11.668 -21.200 1.00 12.33 O ATOM 753 CB LYS A 46 6.738 -11.193 -22.797 1.00 51.13 C ATOM 754 CG LYS A 46 7.667 -11.111 -21.598 1.00 74.23 C ATOM 755 CD LYS A 46 9.010 -11.760 -21.888 1.00 51.22 C ATOM 756 CE LYS A 46 9.782 -10.992 -22.950 1.00 50.21 C ATOM 757 NZ LYS A 46 11.252 -11.060 -22.725 1.00 4.14 N ATOM 0 H LYS A 46 6.687 -8.733 -22.894 1.00 53.24 H new ATOM 0 HA LYS A 46 4.750 -10.665 -23.423 1.00 33.02 H new ATOM 0 HB2 LYS A 46 6.491 -12.238 -22.984 1.00 51.13 H new ATOM 0 HB3 LYS A 46 7.264 -10.827 -23.679 1.00 51.13 H new ATOM 0 HG2 LYS A 46 7.818 -10.067 -21.324 1.00 74.23 H new ATOM 0 HG3 LYS A 46 7.202 -11.601 -20.742 1.00 74.23 H new ATOM 0 HD2 LYS A 46 9.598 -11.807 -20.972 1.00 51.22 H new ATOM 0 HD3 LYS A 46 8.855 -12.787 -22.220 1.00 51.22 H new ATOM 0 HE2 LYS A 46 9.546 -11.397 -23.934 1.00 50.21 H new ATOM 0 HE3 LYS A 46 9.462 -9.950 -22.949 1.00 50.21 H new ATOM 0 HZ1 LYS A 46 11.742 -10.524 -23.470 1.00 4.14 H new ATOM 0 HZ2 LYS A 46 11.480 -10.651 -21.797 1.00 4.14 H new ATOM 0 HZ3 LYS A 46 11.562 -12.052 -22.751 1.00 4.14 H new ATOM 771 N GLU A 47 5.158 -9.999 -20.248 1.00 14.33 N ATOM 772 CA GLU A 47 4.611 -10.228 -18.915 1.00 63.54 C ATOM 773 C GLU A 47 3.166 -9.748 -18.830 1.00 14.32 C ATOM 774 O GLU A 47 2.304 -10.429 -18.274 1.00 61.40 O ATOM 775 CB GLU A 47 5.461 -9.515 -17.862 1.00 11.13 C ATOM 776 CG GLU A 47 6.758 -10.236 -17.536 1.00 1.34 C ATOM 777 CD GLU A 47 6.593 -11.265 -16.435 1.00 32.15 C ATOM 778 OE1 GLU A 47 7.002 -12.426 -16.643 1.00 23.54 O ATOM 779 OE2 GLU A 47 6.054 -10.910 -15.366 1.00 0.15 O ATOM 0 H GLU A 47 5.828 -9.232 -20.303 1.00 14.33 H new ATOM 0 HA GLU A 47 4.630 -11.300 -18.721 1.00 63.54 H new ATOM 0 HB2 GLU A 47 5.693 -8.510 -18.214 1.00 11.13 H new ATOM 0 HB3 GLU A 47 4.876 -9.406 -16.949 1.00 11.13 H new ATOM 0 HG2 GLU A 47 7.132 -10.727 -18.434 1.00 1.34 H new ATOM 0 HG3 GLU A 47 7.510 -9.506 -17.236 1.00 1.34 H new ATOM 786 N LYS A 48 2.907 -8.568 -19.384 1.00 31.02 N ATOM 787 CA LYS A 48 1.567 -7.994 -19.372 1.00 74.10 C ATOM 788 C LYS A 48 0.625 -8.793 -20.267 1.00 53.01 C ATOM 789 O LYS A 48 -0.564 -8.925 -19.973 1.00 64.34 O ATOM 790 CB LYS A 48 1.610 -6.535 -19.833 1.00 21.34 C ATOM 791 CG LYS A 48 2.694 -5.715 -19.155 1.00 21.54 C ATOM 792 CD LYS A 48 2.540 -5.729 -17.643 1.00 0.20 C ATOM 793 CE LYS A 48 3.540 -4.799 -16.973 1.00 15.43 C ATOM 794 NZ LYS A 48 3.108 -3.375 -17.045 1.00 34.31 N ATOM 0 H LYS A 48 3.609 -7.990 -19.847 1.00 31.02 H new ATOM 0 HA LYS A 48 1.191 -8.035 -18.350 1.00 74.10 H new ATOM 0 HB2 LYS A 48 1.766 -6.508 -20.911 1.00 21.34 H new ATOM 0 HB3 LYS A 48 0.642 -6.073 -19.640 1.00 21.34 H new ATOM 0 HG2 LYS A 48 3.673 -6.110 -19.426 1.00 21.54 H new ATOM 0 HG3 LYS A 48 2.654 -4.687 -19.516 1.00 21.54 H new ATOM 0 HD2 LYS A 48 1.527 -5.428 -17.376 1.00 0.20 H new ATOM 0 HD3 LYS A 48 2.680 -6.744 -17.271 1.00 0.20 H new ATOM 0 HE2 LYS A 48 3.663 -5.089 -15.929 1.00 15.43 H new ATOM 0 HE3 LYS A 48 4.514 -4.908 -17.451 1.00 15.43 H new ATOM 0 HZ1 LYS A 48 3.816 -2.773 -16.577 1.00 34.31 H new ATOM 0 HZ2 LYS A 48 3.015 -3.090 -18.041 1.00 34.31 H new ATOM 0 HZ3 LYS A 48 2.191 -3.266 -16.567 1.00 34.31 H new ATOM 808 N PHE A 49 1.163 -9.325 -21.359 1.00 40.15 N ATOM 809 CA PHE A 49 0.370 -10.112 -22.297 1.00 43.52 C ATOM 810 C PHE A 49 -0.105 -11.410 -21.652 1.00 65.30 C ATOM 811 O PHE A 49 -1.187 -11.909 -21.959 1.00 52.12 O ATOM 812 CB PHE A 49 1.187 -10.422 -23.553 1.00 50.34 C ATOM 813 CG PHE A 49 0.524 -11.409 -24.471 1.00 21.24 C ATOM 814 CD1 PHE A 49 -0.306 -10.977 -25.493 1.00 3.45 C ATOM 815 CD2 PHE A 49 0.731 -12.770 -24.311 1.00 41.15 C ATOM 816 CE1 PHE A 49 -0.917 -11.883 -26.337 1.00 75.34 C ATOM 817 CE2 PHE A 49 0.122 -13.681 -25.154 1.00 23.34 C ATOM 818 CZ PHE A 49 -0.702 -13.237 -26.169 1.00 33.24 C ATOM 0 H PHE A 49 2.145 -9.226 -21.617 1.00 40.15 H new ATOM 0 HA PHE A 49 -0.505 -9.525 -22.577 1.00 43.52 H new ATOM 0 HB2 PHE A 49 1.367 -9.495 -24.098 1.00 50.34 H new ATOM 0 HB3 PHE A 49 2.161 -10.811 -23.256 1.00 50.34 H new ATOM 0 HD1 PHE A 49 -0.477 -9.920 -25.631 1.00 3.45 H new ATOM 0 HD2 PHE A 49 1.375 -13.123 -23.519 1.00 41.15 H new ATOM 0 HE1 PHE A 49 -1.563 -11.533 -27.129 1.00 75.34 H new ATOM 0 HE2 PHE A 49 0.291 -14.739 -25.019 1.00 23.34 H new ATOM 0 HZ PHE A 49 -1.177 -13.947 -26.830 1.00 33.24 H new ATOM 828 N SER A 50 0.714 -11.953 -20.757 1.00 1.05 N ATOM 829 CA SER A 50 0.381 -13.196 -20.071 1.00 11.04 C ATOM 830 C SER A 50 -0.932 -13.059 -19.306 1.00 30.23 C ATOM 831 O SER A 50 -1.716 -14.005 -19.224 1.00 4.40 O ATOM 832 CB SER A 50 1.505 -13.591 -19.111 1.00 11.43 C ATOM 833 OG SER A 50 1.234 -14.837 -18.493 1.00 12.43 O ATOM 0 H SER A 50 1.613 -11.552 -20.490 1.00 1.05 H new ATOM 0 HA SER A 50 0.264 -13.977 -20.823 1.00 11.04 H new ATOM 0 HB2 SER A 50 2.448 -13.649 -19.654 1.00 11.43 H new ATOM 0 HB3 SER A 50 1.623 -12.821 -18.348 1.00 11.43 H new ATOM 0 HG SER A 50 1.968 -15.067 -17.886 1.00 12.43 H new ATOM 839 N GLN A 51 -1.164 -11.876 -18.747 1.00 43.53 N ATOM 840 CA GLN A 51 -2.381 -11.615 -17.988 1.00 40.32 C ATOM 841 C GLN A 51 -3.610 -11.693 -18.887 1.00 54.43 C ATOM 842 O GLN A 51 -4.711 -12.001 -18.427 1.00 43.51 O ATOM 843 CB GLN A 51 -2.307 -10.239 -17.323 1.00 34.32 C ATOM 844 CG GLN A 51 -1.303 -10.167 -16.184 1.00 64.24 C ATOM 845 CD GLN A 51 -1.668 -9.122 -15.149 1.00 43.20 C ATOM 846 OE1 GLN A 51 -0.931 -8.158 -14.937 1.00 33.15 O ATOM 847 NE2 GLN A 51 -2.810 -9.307 -14.498 1.00 12.21 N ATOM 0 H GLN A 51 -0.525 -11.083 -18.805 1.00 43.53 H new ATOM 0 HA GLN A 51 -2.469 -12.379 -17.216 1.00 40.32 H new ATOM 0 HB2 GLN A 51 -2.045 -9.495 -18.075 1.00 34.32 H new ATOM 0 HB3 GLN A 51 -3.294 -9.975 -16.944 1.00 34.32 H new ATOM 0 HG2 GLN A 51 -1.236 -11.142 -15.702 1.00 64.24 H new ATOM 0 HG3 GLN A 51 -0.316 -9.943 -16.589 1.00 64.24 H new ATOM 0 HE21 GLN A 51 -3.390 -10.120 -14.706 1.00 12.21 H new ATOM 0 HE22 GLN A 51 -3.108 -8.636 -13.790 1.00 12.21 H new ATOM 856 N LEU A 52 -3.417 -11.411 -20.171 1.00 60.41 N ATOM 857 CA LEU A 52 -4.511 -11.449 -21.136 1.00 24.21 C ATOM 858 C LEU A 52 -5.029 -12.872 -21.316 1.00 22.40 C ATOM 859 O LEU A 52 -6.226 -13.128 -21.189 1.00 22.42 O ATOM 860 CB LEU A 52 -4.049 -10.888 -22.482 1.00 60.20 C ATOM 861 CG LEU A 52 -3.499 -9.461 -22.462 1.00 34.44 C ATOM 862 CD1 LEU A 52 -2.786 -9.146 -23.767 1.00 1.51 C ATOM 863 CD2 LEU A 52 -4.619 -8.462 -22.208 1.00 61.23 C ATOM 0 H LEU A 52 -2.513 -11.154 -20.568 1.00 60.41 H new ATOM 0 HA LEU A 52 -5.324 -10.832 -20.752 1.00 24.21 H new ATOM 0 HB2 LEU A 52 -3.279 -11.547 -22.882 1.00 60.20 H new ATOM 0 HB3 LEU A 52 -4.890 -10.922 -23.175 1.00 60.20 H new ATOM 0 HG LEU A 52 -2.777 -9.381 -21.649 1.00 34.44 H new ATOM 0 HD11 LEU A 52 -2.401 -8.127 -23.735 1.00 1.51 H new ATOM 0 HD12 LEU A 52 -1.959 -9.842 -23.907 1.00 1.51 H new ATOM 0 HD13 LEU A 52 -3.486 -9.243 -24.597 1.00 1.51 H new ATOM 0 HD21 LEU A 52 -4.210 -7.452 -22.197 1.00 61.23 H new ATOM 0 HD22 LEU A 52 -5.365 -8.543 -22.999 1.00 61.23 H new ATOM 0 HD23 LEU A 52 -5.085 -8.675 -21.246 1.00 61.23 H new ATOM 875 N ALA A 53 -4.119 -13.795 -21.611 1.00 21.12 N ATOM 876 CA ALA A 53 -4.483 -15.193 -21.804 1.00 34.11 C ATOM 877 C ALA A 53 -4.983 -15.815 -20.504 1.00 42.11 C ATOM 878 O ALA A 53 -5.909 -16.625 -20.509 1.00 62.24 O ATOM 879 CB ALA A 53 -3.297 -15.978 -22.345 1.00 14.20 C ATOM 0 H ALA A 53 -3.124 -13.599 -21.721 1.00 21.12 H new ATOM 0 HA ALA A 53 -5.294 -15.234 -22.531 1.00 34.11 H new ATOM 0 HB1 ALA A 53 -3.584 -17.020 -22.484 1.00 14.20 H new ATOM 0 HB2 ALA A 53 -2.987 -15.556 -23.301 1.00 14.20 H new ATOM 0 HB3 ALA A 53 -2.470 -15.921 -21.638 1.00 14.20 H new ATOM 885 N GLU A 54 -4.363 -15.430 -19.393 1.00 22.21 N ATOM 886 CA GLU A 54 -4.745 -15.952 -18.086 1.00 62.30 C ATOM 887 C GLU A 54 -6.170 -15.540 -17.731 1.00 13.43 C ATOM 888 O GLU A 54 -6.979 -16.364 -17.306 1.00 61.31 O ATOM 889 CB GLU A 54 -3.776 -15.456 -17.011 1.00 24.41 C ATOM 890 CG GLU A 54 -2.872 -16.545 -16.457 1.00 31.21 C ATOM 891 CD GLU A 54 -2.140 -16.113 -15.202 1.00 4.25 C ATOM 892 OE1 GLU A 54 -1.142 -15.371 -15.323 1.00 71.22 O ATOM 893 OE2 GLU A 54 -2.563 -16.516 -14.098 1.00 52.23 O ATOM 0 H GLU A 54 -3.595 -14.759 -19.372 1.00 22.21 H new ATOM 0 HA GLU A 54 -4.700 -17.040 -18.131 1.00 62.30 H new ATOM 0 HB2 GLU A 54 -3.159 -14.661 -17.429 1.00 24.41 H new ATOM 0 HB3 GLU A 54 -4.348 -15.019 -16.192 1.00 24.41 H new ATOM 0 HG2 GLU A 54 -3.468 -17.431 -16.238 1.00 31.21 H new ATOM 0 HG3 GLU A 54 -2.145 -16.830 -17.217 1.00 31.21 H new ATOM 900 N ALA A 55 -6.470 -14.257 -17.907 1.00 50.13 N ATOM 901 CA ALA A 55 -7.797 -13.734 -17.607 1.00 72.22 C ATOM 902 C ALA A 55 -8.822 -14.222 -18.625 1.00 54.34 C ATOM 903 O ALA A 55 -9.984 -14.453 -18.289 1.00 51.12 O ATOM 904 CB ALA A 55 -7.769 -12.213 -17.570 1.00 35.41 C ATOM 0 H ALA A 55 -5.811 -13.561 -18.256 1.00 50.13 H new ATOM 0 HA ALA A 55 -8.094 -14.105 -16.626 1.00 72.22 H new ATOM 0 HB1 ALA A 55 -8.767 -11.836 -17.345 1.00 35.41 H new ATOM 0 HB2 ALA A 55 -7.073 -11.881 -16.800 1.00 35.41 H new ATOM 0 HB3 ALA A 55 -7.447 -11.831 -18.539 1.00 35.41 H new ATOM 910 N TYR A 56 -8.386 -14.375 -19.870 1.00 63.24 N ATOM 911 CA TYR A 56 -9.267 -14.832 -20.939 1.00 23.25 C ATOM 912 C TYR A 56 -9.600 -16.312 -20.774 1.00 65.15 C ATOM 913 O TYR A 56 -10.647 -16.777 -21.222 1.00 53.42 O ATOM 914 CB TYR A 56 -8.617 -14.592 -22.302 1.00 64.42 C ATOM 915 CG TYR A 56 -9.283 -15.345 -23.432 1.00 14.44 C ATOM 916 CD1 TYR A 56 -10.350 -14.790 -24.128 1.00 34.15 C ATOM 917 CD2 TYR A 56 -8.845 -16.610 -23.803 1.00 55.14 C ATOM 918 CE1 TYR A 56 -10.963 -15.474 -25.159 1.00 61.35 C ATOM 919 CE2 TYR A 56 -9.451 -17.301 -24.835 1.00 51.22 C ATOM 920 CZ TYR A 56 -10.510 -16.729 -25.510 1.00 23.03 C ATOM 921 OH TYR A 56 -11.116 -17.413 -26.538 1.00 73.21 O ATOM 0 H TYR A 56 -7.427 -14.189 -20.165 1.00 63.24 H new ATOM 0 HA TYR A 56 -10.194 -14.261 -20.881 1.00 23.25 H new ATOM 0 HB2 TYR A 56 -8.641 -13.525 -22.524 1.00 64.42 H new ATOM 0 HB3 TYR A 56 -7.568 -14.883 -22.251 1.00 64.42 H new ATOM 0 HD1 TYR A 56 -10.706 -13.807 -23.858 1.00 34.15 H new ATOM 0 HD2 TYR A 56 -8.017 -17.061 -23.276 1.00 55.14 H new ATOM 0 HE1 TYR A 56 -11.793 -15.029 -25.688 1.00 61.35 H new ATOM 0 HE2 TYR A 56 -9.098 -18.283 -25.112 1.00 51.22 H new ATOM 0 HH TYR A 56 -10.676 -18.280 -26.658 1.00 73.21 H new ATOM 931 N GLU A 57 -8.699 -17.046 -20.129 1.00 30.45 N ATOM 932 CA GLU A 57 -8.897 -18.474 -19.905 1.00 45.21 C ATOM 933 C GLU A 57 -10.182 -18.729 -19.123 1.00 61.33 C ATOM 934 O GLU A 57 -11.005 -19.557 -19.514 1.00 20.54 O ATOM 935 CB GLU A 57 -7.703 -19.065 -19.152 1.00 43.33 C ATOM 936 CG GLU A 57 -6.621 -19.618 -20.065 1.00 32.33 C ATOM 937 CD GLU A 57 -5.246 -19.582 -19.428 1.00 4.02 C ATOM 938 OE1 GLU A 57 -4.302 -19.088 -20.080 1.00 30.42 O ATOM 939 OE2 GLU A 57 -5.113 -20.047 -18.276 1.00 73.43 O ATOM 0 H GLU A 57 -7.826 -16.677 -19.753 1.00 30.45 H new ATOM 0 HA GLU A 57 -8.981 -18.960 -20.877 1.00 45.21 H new ATOM 0 HB2 GLU A 57 -7.270 -18.295 -18.514 1.00 43.33 H new ATOM 0 HB3 GLU A 57 -8.056 -19.861 -18.496 1.00 43.33 H new ATOM 0 HG2 GLU A 57 -6.867 -20.646 -20.332 1.00 32.33 H new ATOM 0 HG3 GLU A 57 -6.603 -19.043 -20.991 1.00 32.33 H new ATOM 946 N VAL A 58 -10.347 -18.012 -18.016 1.00 61.23 N ATOM 947 CA VAL A 58 -11.531 -18.160 -17.179 1.00 53.11 C ATOM 948 C VAL A 58 -12.746 -17.502 -17.824 1.00 61.23 C ATOM 949 O VAL A 58 -13.843 -18.061 -17.821 1.00 74.54 O ATOM 950 CB VAL A 58 -11.311 -17.548 -15.783 1.00 34.44 C ATOM 951 CG1 VAL A 58 -12.480 -17.876 -14.866 1.00 53.31 C ATOM 952 CG2 VAL A 58 -10.001 -18.041 -15.186 1.00 54.42 C ATOM 0 H VAL A 58 -9.675 -17.323 -17.678 1.00 61.23 H new ATOM 0 HA VAL A 58 -11.713 -19.230 -17.075 1.00 53.11 H new ATOM 0 HB VAL A 58 -11.253 -16.464 -15.885 1.00 34.44 H new ATOM 0 HG11 VAL A 58 -12.307 -17.435 -13.884 1.00 53.31 H new ATOM 0 HG12 VAL A 58 -13.399 -17.470 -15.289 1.00 53.31 H new ATOM 0 HG13 VAL A 58 -12.573 -18.958 -14.767 1.00 53.31 H new ATOM 0 HG21 VAL A 58 -9.861 -17.599 -14.200 1.00 54.42 H new ATOM 0 HG22 VAL A 58 -10.028 -19.127 -15.096 1.00 54.42 H new ATOM 0 HG23 VAL A 58 -9.174 -17.751 -15.834 1.00 54.42 H new ATOM 962 N LEU A 59 -12.543 -16.312 -18.378 1.00 2.23 N ATOM 963 CA LEU A 59 -13.622 -15.576 -19.028 1.00 63.45 C ATOM 964 C LEU A 59 -14.066 -16.279 -20.307 1.00 62.52 C ATOM 965 O LEU A 59 -15.100 -15.945 -20.884 1.00 54.22 O ATOM 966 CB LEU A 59 -13.173 -14.149 -19.347 1.00 61.21 C ATOM 967 CG LEU A 59 -13.413 -13.110 -18.251 1.00 45.15 C ATOM 968 CD1 LEU A 59 -14.900 -12.838 -18.090 1.00 31.25 C ATOM 969 CD2 LEU A 59 -12.807 -13.574 -16.935 1.00 2.42 C ATOM 0 H LEU A 59 -11.641 -15.836 -18.390 1.00 2.23 H new ATOM 0 HA LEU A 59 -14.468 -15.539 -18.342 1.00 63.45 H new ATOM 0 HB2 LEU A 59 -12.107 -14.167 -19.576 1.00 61.21 H new ATOM 0 HB3 LEU A 59 -13.687 -13.821 -20.250 1.00 61.21 H new ATOM 0 HG LEU A 59 -12.925 -12.180 -18.544 1.00 45.15 H new ATOM 0 HD11 LEU A 59 -15.051 -12.096 -17.306 1.00 31.25 H new ATOM 0 HD12 LEU A 59 -15.305 -12.461 -19.029 1.00 31.25 H new ATOM 0 HD13 LEU A 59 -15.412 -13.762 -17.819 1.00 31.25 H new ATOM 0 HD21 LEU A 59 -12.987 -12.822 -16.166 1.00 2.42 H new ATOM 0 HD22 LEU A 59 -13.265 -14.516 -16.636 1.00 2.42 H new ATOM 0 HD23 LEU A 59 -11.733 -13.716 -17.059 1.00 2.42 H new ATOM 981 N SER A 60 -13.278 -17.257 -20.743 1.00 43.14 N ATOM 982 CA SER A 60 -13.589 -18.007 -21.955 1.00 3.42 C ATOM 983 C SER A 60 -14.746 -18.971 -21.715 1.00 32.04 C ATOM 984 O SER A 60 -15.316 -19.521 -22.657 1.00 62.41 O ATOM 985 CB SER A 60 -12.357 -18.779 -22.432 1.00 53.34 C ATOM 986 OG SER A 60 -12.700 -19.711 -23.443 1.00 33.22 O ATOM 0 H SER A 60 -12.420 -17.549 -20.275 1.00 43.14 H new ATOM 0 HA SER A 60 -13.885 -17.297 -22.727 1.00 3.42 H new ATOM 0 HB2 SER A 60 -11.612 -18.081 -22.814 1.00 53.34 H new ATOM 0 HB3 SER A 60 -11.903 -19.301 -21.590 1.00 53.34 H new ATOM 0 HG SER A 60 -13.672 -19.839 -23.454 1.00 33.22 H new ATOM 992 N ASP A 61 -15.088 -19.171 -20.447 1.00 11.54 N ATOM 993 CA ASP A 61 -16.178 -20.067 -20.081 1.00 32.44 C ATOM 994 C ASP A 61 -17.043 -19.452 -18.985 1.00 74.41 C ATOM 995 O ASP A 61 -16.530 -18.872 -18.029 1.00 34.31 O ATOM 996 CB ASP A 61 -15.624 -21.414 -19.614 1.00 61.40 C ATOM 997 CG ASP A 61 -16.518 -22.575 -20.005 1.00 45.01 C ATOM 998 OD1 ASP A 61 -16.094 -23.736 -19.826 1.00 12.21 O ATOM 999 OD2 ASP A 61 -17.640 -22.322 -20.491 1.00 70.43 O ATOM 0 H ASP A 61 -14.626 -18.724 -19.655 1.00 11.54 H new ATOM 0 HA ASP A 61 -16.798 -20.224 -20.964 1.00 32.44 H new ATOM 0 HB2 ASP A 61 -14.632 -21.563 -20.041 1.00 61.40 H new ATOM 0 HB3 ASP A 61 -15.506 -21.399 -18.531 1.00 61.40 H new ATOM 1004 N GLU A 62 -18.358 -19.583 -19.133 1.00 11.00 N ATOM 1005 CA GLU A 62 -19.294 -19.038 -18.156 1.00 41.15 C ATOM 1006 C GLU A 62 -19.114 -19.708 -16.797 1.00 62.04 C ATOM 1007 O GLU A 62 -19.168 -19.052 -15.757 1.00 40.01 O ATOM 1008 CB GLU A 62 -20.734 -19.220 -18.640 1.00 50.13 C ATOM 1009 CG GLU A 62 -21.082 -20.658 -18.987 1.00 54.44 C ATOM 1010 CD GLU A 62 -22.501 -20.806 -19.502 1.00 61.21 C ATOM 1011 OE1 GLU A 62 -22.777 -20.337 -20.626 1.00 13.24 O ATOM 1012 OE2 GLU A 62 -23.335 -21.393 -18.780 1.00 42.45 O ATOM 0 H GLU A 62 -18.799 -20.061 -19.919 1.00 11.00 H new ATOM 0 HA GLU A 62 -19.087 -17.973 -18.047 1.00 41.15 H new ATOM 0 HB2 GLU A 62 -21.416 -18.866 -17.867 1.00 50.13 H new ATOM 0 HB3 GLU A 62 -20.895 -18.594 -19.518 1.00 50.13 H new ATOM 0 HG2 GLU A 62 -20.386 -21.025 -19.741 1.00 54.44 H new ATOM 0 HG3 GLU A 62 -20.953 -21.283 -18.103 1.00 54.44 H new ATOM 1019 N VAL A 63 -18.900 -21.020 -16.815 1.00 2.13 N ATOM 1020 CA VAL A 63 -18.711 -21.780 -15.585 1.00 11.01 C ATOM 1021 C VAL A 63 -17.458 -21.326 -14.845 1.00 63.11 C ATOM 1022 O VAL A 63 -17.497 -21.049 -13.646 1.00 42.53 O ATOM 1023 CB VAL A 63 -18.608 -23.290 -15.869 1.00 22.32 C ATOM 1024 CG1 VAL A 63 -18.604 -24.079 -14.568 1.00 73.33 C ATOM 1025 CG2 VAL A 63 -19.745 -23.741 -16.772 1.00 74.15 C ATOM 0 H VAL A 63 -18.853 -21.578 -17.667 1.00 2.13 H new ATOM 0 HA VAL A 63 -19.585 -21.594 -14.961 1.00 11.01 H new ATOM 0 HB VAL A 63 -17.667 -23.482 -16.385 1.00 22.32 H new ATOM 0 HG11 VAL A 63 -18.531 -25.144 -14.789 1.00 73.33 H new ATOM 0 HG12 VAL A 63 -17.752 -23.775 -13.961 1.00 73.33 H new ATOM 0 HG13 VAL A 63 -19.527 -23.884 -14.022 1.00 73.33 H new ATOM 0 HG21 VAL A 63 -19.656 -24.811 -16.962 1.00 74.15 H new ATOM 0 HG22 VAL A 63 -20.699 -23.537 -16.286 1.00 74.15 H new ATOM 0 HG23 VAL A 63 -19.696 -23.199 -17.717 1.00 74.15 H new ATOM 1035 N LYS A 64 -16.345 -21.252 -15.568 1.00 31.12 N ATOM 1036 CA LYS A 64 -15.078 -20.830 -14.982 1.00 34.10 C ATOM 1037 C LYS A 64 -15.160 -19.388 -14.491 1.00 24.32 C ATOM 1038 O LYS A 64 -14.698 -19.069 -13.395 1.00 34.11 O ATOM 1039 CB LYS A 64 -13.949 -20.969 -16.005 1.00 4.31 C ATOM 1040 CG LYS A 64 -13.517 -22.405 -16.244 1.00 33.32 C ATOM 1041 CD LYS A 64 -12.042 -22.493 -16.596 1.00 23.43 C ATOM 1042 CE LYS A 64 -11.163 -22.184 -15.394 1.00 24.24 C ATOM 1043 NZ LYS A 64 -10.795 -23.417 -14.643 1.00 72.04 N ATOM 0 H LYS A 64 -16.295 -21.479 -16.561 1.00 31.12 H new ATOM 0 HA LYS A 64 -14.868 -21.474 -14.128 1.00 34.10 H new ATOM 0 HB2 LYS A 64 -14.272 -20.534 -16.951 1.00 4.31 H new ATOM 0 HB3 LYS A 64 -13.089 -20.392 -15.665 1.00 4.31 H new ATOM 0 HG2 LYS A 64 -13.715 -22.999 -15.351 1.00 33.32 H new ATOM 0 HG3 LYS A 64 -14.111 -22.835 -17.051 1.00 33.32 H new ATOM 0 HD2 LYS A 64 -11.814 -23.492 -16.967 1.00 23.43 H new ATOM 0 HD3 LYS A 64 -11.817 -21.795 -17.402 1.00 23.43 H new ATOM 0 HE2 LYS A 64 -10.257 -21.678 -15.727 1.00 24.24 H new ATOM 0 HE3 LYS A 64 -11.686 -21.496 -14.729 1.00 24.24 H new ATOM 0 HZ1 LYS A 64 -10.196 -23.163 -13.832 1.00 72.04 H new ATOM 0 HZ2 LYS A 64 -11.658 -23.887 -14.303 1.00 72.04 H new ATOM 0 HZ3 LYS A 64 -10.274 -24.063 -15.270 1.00 72.04 H new ATOM 1057 N ARG A 65 -15.750 -18.522 -15.308 1.00 1.02 N ATOM 1058 CA ARG A 65 -15.892 -17.114 -14.956 1.00 24.33 C ATOM 1059 C ARG A 65 -16.784 -16.948 -13.730 1.00 15.14 C ATOM 1060 O ARG A 65 -16.501 -16.137 -12.847 1.00 74.31 O ATOM 1061 CB ARG A 65 -16.472 -16.328 -16.133 1.00 24.12 C ATOM 1062 CG ARG A 65 -16.620 -14.841 -15.858 1.00 10.44 C ATOM 1063 CD ARG A 65 -17.763 -14.237 -16.658 1.00 75.42 C ATOM 1064 NE ARG A 65 -18.549 -13.295 -15.866 1.00 43.30 N ATOM 1065 CZ ARG A 65 -19.785 -12.923 -16.179 1.00 32.43 C ATOM 1066 NH1 ARG A 65 -20.374 -13.413 -17.261 1.00 13.11 N ATOM 1067 NH2 ARG A 65 -20.435 -12.061 -15.408 1.00 13.03 N ATOM 0 H ARG A 65 -16.137 -18.770 -16.218 1.00 1.02 H new ATOM 0 HA ARG A 65 -14.903 -16.723 -14.720 1.00 24.33 H new ATOM 0 HB2 ARG A 65 -15.830 -16.466 -17.003 1.00 24.12 H new ATOM 0 HB3 ARG A 65 -17.448 -16.741 -16.389 1.00 24.12 H new ATOM 0 HG2 ARG A 65 -16.796 -14.683 -14.794 1.00 10.44 H new ATOM 0 HG3 ARG A 65 -15.690 -14.330 -16.107 1.00 10.44 H new ATOM 0 HD2 ARG A 65 -17.362 -13.727 -17.534 1.00 75.42 H new ATOM 0 HD3 ARG A 65 -18.412 -15.034 -17.022 1.00 75.42 H new ATOM 0 HE ARG A 65 -18.125 -12.901 -15.026 1.00 43.30 H new ATOM 0 HH11 ARG A 65 -19.878 -14.077 -17.855 1.00 13.11 H new ATOM 0 HH12 ARG A 65 -21.323 -13.126 -17.499 1.00 13.11 H new ATOM 0 HH21 ARG A 65 -19.986 -11.683 -14.574 1.00 13.03 H new ATOM 0 HH22 ARG A 65 -21.384 -11.776 -15.649 1.00 13.03 H new ATOM 1081 N LYS A 66 -17.865 -17.720 -13.681 1.00 65.34 N ATOM 1082 CA LYS A 66 -18.800 -17.660 -12.564 1.00 65.22 C ATOM 1083 C LYS A 66 -18.126 -18.097 -11.267 1.00 73.41 C ATOM 1084 O LYS A 66 -18.268 -17.444 -10.234 1.00 31.43 O ATOM 1085 CB LYS A 66 -20.017 -18.545 -12.843 1.00 3.11 C ATOM 1086 CG LYS A 66 -21.032 -17.906 -13.774 1.00 74.34 C ATOM 1087 CD LYS A 66 -21.825 -16.817 -13.072 1.00 53.21 C ATOM 1088 CE LYS A 66 -22.329 -15.772 -14.056 1.00 4.42 C ATOM 1089 NZ LYS A 66 -21.457 -14.564 -14.076 1.00 54.01 N ATOM 0 H LYS A 66 -18.115 -18.395 -14.403 1.00 65.34 H new ATOM 0 HA LYS A 66 -19.128 -16.627 -12.452 1.00 65.22 H new ATOM 0 HB2 LYS A 66 -19.680 -19.486 -13.278 1.00 3.11 H new ATOM 0 HB3 LYS A 66 -20.504 -18.787 -11.898 1.00 3.11 H new ATOM 0 HG2 LYS A 66 -20.519 -17.484 -14.638 1.00 74.34 H new ATOM 0 HG3 LYS A 66 -21.714 -18.669 -14.149 1.00 74.34 H new ATOM 0 HD2 LYS A 66 -22.671 -17.262 -12.547 1.00 53.21 H new ATOM 0 HD3 LYS A 66 -21.199 -16.338 -12.319 1.00 53.21 H new ATOM 0 HE2 LYS A 66 -22.373 -16.205 -15.055 1.00 4.42 H new ATOM 0 HE3 LYS A 66 -23.345 -15.482 -13.789 1.00 4.42 H new ATOM 0 HZ1 LYS A 66 -21.919 -13.811 -14.625 1.00 54.01 H new ATOM 0 HZ2 LYS A 66 -21.298 -14.235 -13.102 1.00 54.01 H new ATOM 0 HZ3 LYS A 66 -20.544 -14.802 -14.514 1.00 54.01 H new ATOM 1103 N GLN A 67 -17.393 -19.204 -11.330 1.00 73.31 N ATOM 1104 CA GLN A 67 -16.698 -19.727 -10.160 1.00 21.00 C ATOM 1105 C GLN A 67 -15.689 -18.714 -9.629 1.00 32.04 C ATOM 1106 O GLN A 67 -15.656 -18.425 -8.432 1.00 54.32 O ATOM 1107 CB GLN A 67 -15.989 -21.038 -10.505 1.00 42.31 C ATOM 1108 CG GLN A 67 -16.935 -22.216 -10.672 1.00 40.31 C ATOM 1109 CD GLN A 67 -17.830 -22.421 -9.466 1.00 0.11 C ATOM 1110 OE1 GLN A 67 -17.454 -23.095 -8.507 1.00 22.41 O ATOM 1111 NE2 GLN A 67 -19.023 -21.838 -9.507 1.00 64.43 N ATOM 0 H GLN A 67 -17.265 -19.756 -12.178 1.00 73.31 H new ATOM 0 HA GLN A 67 -17.439 -19.917 -9.383 1.00 21.00 H new ATOM 0 HB2 GLN A 67 -15.423 -20.904 -11.427 1.00 42.31 H new ATOM 0 HB3 GLN A 67 -15.269 -21.269 -9.720 1.00 42.31 H new ATOM 0 HG2 GLN A 67 -17.553 -22.058 -11.556 1.00 40.31 H new ATOM 0 HG3 GLN A 67 -16.354 -23.122 -10.847 1.00 40.31 H new ATOM 0 HE21 GLN A 67 -19.294 -21.288 -10.322 1.00 64.43 H new ATOM 0 HE22 GLN A 67 -19.668 -21.940 -8.723 1.00 64.43 H new ATOM 1120 N TYR A 68 -14.868 -18.179 -10.525 1.00 1.22 N ATOM 1121 CA TYR A 68 -13.856 -17.200 -10.146 1.00 1.14 C ATOM 1122 C TYR A 68 -14.503 -15.893 -9.698 1.00 40.33 C ATOM 1123 O TYR A 68 -13.949 -15.162 -8.876 1.00 73.24 O ATOM 1124 CB TYR A 68 -12.906 -16.938 -11.316 1.00 12.35 C ATOM 1125 CG TYR A 68 -11.689 -17.835 -11.321 1.00 35.33 C ATOM 1126 CD1 TYR A 68 -11.725 -19.082 -11.932 1.00 62.55 C ATOM 1127 CD2 TYR A 68 -10.505 -17.437 -10.713 1.00 71.12 C ATOM 1128 CE1 TYR A 68 -10.616 -19.906 -11.939 1.00 61.52 C ATOM 1129 CE2 TYR A 68 -9.391 -18.254 -10.716 1.00 50.23 C ATOM 1130 CZ TYR A 68 -9.451 -19.487 -11.330 1.00 74.53 C ATOM 1131 OH TYR A 68 -8.344 -20.305 -11.334 1.00 51.53 O ATOM 0 H TYR A 68 -14.883 -18.407 -11.519 1.00 1.22 H new ATOM 0 HA TYR A 68 -13.288 -17.608 -9.310 1.00 1.14 H new ATOM 0 HB2 TYR A 68 -13.449 -17.072 -12.251 1.00 12.35 H new ATOM 0 HB3 TYR A 68 -12.580 -15.898 -11.283 1.00 12.35 H new ATOM 0 HD1 TYR A 68 -12.635 -19.413 -12.410 1.00 62.55 H new ATOM 0 HD2 TYR A 68 -10.455 -16.472 -10.230 1.00 71.12 H new ATOM 0 HE1 TYR A 68 -10.661 -20.873 -12.418 1.00 61.52 H new ATOM 0 HE2 TYR A 68 -8.478 -17.929 -10.240 1.00 50.23 H new ATOM 0 HH TYR A 68 -7.607 -19.861 -10.864 1.00 51.53 H new ATOM 1141 N ASP A 69 -15.679 -15.605 -10.245 1.00 60.22 N ATOM 1142 CA ASP A 69 -16.404 -14.387 -9.902 1.00 73.35 C ATOM 1143 C ASP A 69 -16.890 -14.433 -8.457 1.00 40.51 C ATOM 1144 O ASP A 69 -17.080 -13.395 -7.823 1.00 23.10 O ATOM 1145 CB ASP A 69 -17.592 -14.193 -10.847 1.00 4.43 C ATOM 1146 CG ASP A 69 -18.515 -13.079 -10.393 1.00 74.23 C ATOM 1147 OD1 ASP A 69 -19.424 -13.355 -9.582 1.00 22.14 O ATOM 1148 OD2 ASP A 69 -18.329 -11.932 -10.849 1.00 54.14 O ATOM 0 H ASP A 69 -16.150 -16.198 -10.928 1.00 60.22 H new ATOM 0 HA ASP A 69 -15.722 -13.544 -10.010 1.00 73.35 H new ATOM 0 HB2 ASP A 69 -17.224 -13.971 -11.849 1.00 4.43 H new ATOM 0 HB3 ASP A 69 -18.155 -15.124 -10.914 1.00 4.43 H new ATOM 1153 N ALA A 70 -17.090 -15.642 -7.943 1.00 53.31 N ATOM 1154 CA ALA A 70 -17.553 -15.822 -6.573 1.00 20.13 C ATOM 1155 C ALA A 70 -16.475 -15.420 -5.572 1.00 11.21 C ATOM 1156 O ALA A 70 -16.766 -14.809 -4.543 1.00 33.51 O ATOM 1157 CB ALA A 70 -17.976 -17.266 -6.344 1.00 43.32 C ATOM 0 H ALA A 70 -16.939 -16.511 -8.455 1.00 53.31 H new ATOM 0 HA ALA A 70 -18.415 -15.173 -6.419 1.00 20.13 H new ATOM 0 HB1 ALA A 70 -18.320 -17.386 -5.317 1.00 43.32 H new ATOM 0 HB2 ALA A 70 -18.784 -17.521 -7.029 1.00 43.32 H new ATOM 0 HB3 ALA A 70 -17.127 -17.926 -6.522 1.00 43.32 H new ATOM 1163 N TYR A 71 -15.230 -15.766 -5.880 1.00 11.25 N ATOM 1164 CA TYR A 71 -14.109 -15.443 -5.005 1.00 21.30 C ATOM 1165 C TYR A 71 -13.415 -14.162 -5.458 1.00 72.34 C ATOM 1166 O TYR A 71 -12.228 -13.963 -5.205 1.00 50.43 O ATOM 1167 CB TYR A 71 -13.106 -16.598 -4.980 1.00 10.03 C ATOM 1168 CG TYR A 71 -13.747 -17.952 -4.775 1.00 62.13 C ATOM 1169 CD1 TYR A 71 -14.672 -18.158 -3.759 1.00 71.22 C ATOM 1170 CD2 TYR A 71 -13.427 -19.026 -5.597 1.00 44.41 C ATOM 1171 CE1 TYR A 71 -15.260 -19.394 -3.568 1.00 43.21 C ATOM 1172 CE2 TYR A 71 -14.010 -20.264 -5.414 1.00 73.13 C ATOM 1173 CZ TYR A 71 -14.926 -20.443 -4.398 1.00 60.45 C ATOM 1174 OH TYR A 71 -15.509 -21.676 -4.212 1.00 64.12 O ATOM 0 H TYR A 71 -14.972 -16.270 -6.728 1.00 11.25 H new ATOM 0 HA TYR A 71 -14.499 -15.287 -3.999 1.00 21.30 H new ATOM 0 HB2 TYR A 71 -12.551 -16.606 -5.918 1.00 10.03 H new ATOM 0 HB3 TYR A 71 -12.383 -16.423 -4.183 1.00 10.03 H new ATOM 0 HD1 TYR A 71 -14.936 -17.338 -3.107 1.00 71.22 H new ATOM 0 HD2 TYR A 71 -12.710 -18.890 -6.393 1.00 44.41 H new ATOM 0 HE1 TYR A 71 -15.977 -19.537 -2.773 1.00 43.21 H new ATOM 0 HE2 TYR A 71 -13.750 -21.088 -6.063 1.00 73.13 H new ATOM 0 HH TYR A 71 -15.166 -22.304 -4.881 1.00 64.12 H new ATOM 1184 N GLY A 72 -14.167 -13.296 -6.131 1.00 11.12 N ATOM 1185 CA GLY A 72 -13.609 -12.044 -6.609 1.00 73.51 C ATOM 1186 C GLY A 72 -13.883 -10.890 -5.666 1.00 1.21 C ATOM 1187 O GLY A 72 -14.392 -11.088 -4.563 1.00 10.42 O ATOM 0 H GLY A 72 -15.152 -13.439 -6.354 1.00 11.12 H new ATOM 0 HA2 GLY A 72 -12.532 -12.156 -6.739 1.00 73.51 H new ATOM 0 HA3 GLY A 72 -14.026 -11.815 -7.590 1.00 73.51 H new ATOM 1191 N SER A 73 -13.543 -9.680 -6.099 1.00 63.25 N ATOM 1192 CA SER A 73 -13.750 -8.490 -5.284 1.00 4.55 C ATOM 1193 C SER A 73 -15.196 -8.402 -4.808 1.00 15.33 C ATOM 1194 O SER A 73 -15.892 -7.425 -5.082 1.00 72.42 O ATOM 1195 CB SER A 73 -13.384 -7.233 -6.076 1.00 12.33 C ATOM 1196 OG SER A 73 -13.735 -7.371 -7.442 1.00 10.03 O ATOM 0 H SER A 73 -13.123 -9.499 -7.010 1.00 63.25 H new ATOM 0 HA SER A 73 -13.102 -8.561 -4.410 1.00 4.55 H new ATOM 0 HB2 SER A 73 -13.896 -6.370 -5.651 1.00 12.33 H new ATOM 0 HB3 SER A 73 -12.314 -7.043 -5.989 1.00 12.33 H new ATOM 0 HG SER A 73 -13.128 -6.833 -7.992 1.00 10.03 H new TER 1202 SER A 73