USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 789 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 45 LYS NZ :NH3+ 165:sc= 1.19 (180deg=2.24) USER MOD Set 1.2: A 79 SER OG : rot 180:sc= -1.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 170:sc= -1.73! USER MOD Single : A 9 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.024) USER MOD Single : A 10 GLN : amide:sc= -1.65 X(o=-1.7,f=-1.5) USER MOD Single : A 17 GLN : amide:sc= -0.0858 K(o=-0.086,f=-1.5) USER MOD Single : A 22 GLN : amide:sc= -0.9 K(o=-0.9,f=0) USER MOD Single : A 23 SER OG : rot -102:sc= 0.343 USER MOD Single : A 24 ASN : amide:sc= -0.986 K(o=-0.99,f=-0.16) USER MOD Single : A 27 ASN : amide:sc= -1.87 K(o=-1.9,f=-2.9!) USER MOD Single : A 28 MET CE :methyl -156:sc= -0.169 (180deg=-0.759) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 77:sc= 1.14 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -66:sc= 0.372 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.57 K(o=-0.57,f=-2.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.12) USER MOD Single : A 64 THR OG1 : rot -116:sc= 0.128 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.25! X(o=-2.2!,f=-2.7) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.04) USER MOD Single : A 74 LYS NZ :NH3+ -135:sc= -2.01! (180deg=-4.54!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.54) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.0671 X(o=-0.067,f=-0.067) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.236 0.839 -3.041 1.00 33.53 N ATOM 2 CA MET A 1 5.597 -0.309 -2.344 1.00 14.43 C ATOM 3 C MET A 1 6.578 -1.482 -2.189 1.00 30.14 C ATOM 4 O MET A 1 6.895 -2.170 -3.159 1.00 14.42 O ATOM 5 CB MET A 1 4.350 -0.764 -3.117 1.00 5.11 C ATOM 6 CG MET A 1 3.522 -1.817 -2.392 1.00 65.43 C ATOM 7 SD MET A 1 2.065 -2.317 -3.329 1.00 71.22 S ATOM 8 CE MET A 1 1.291 -3.454 -2.177 1.00 5.54 C ATOM 0 H1 MET A 1 5.550 1.616 -3.131 1.00 33.53 H new ATOM 0 H2 MET A 1 7.058 1.164 -2.493 1.00 33.53 H new ATOM 0 H3 MET A 1 6.548 0.541 -3.987 1.00 33.53 H new ATOM 0 HA MET A 1 5.304 0.020 -1.347 1.00 14.43 H new ATOM 0 HB2 MET A 1 3.722 0.104 -3.316 1.00 5.11 H new ATOM 0 HB3 MET A 1 4.659 -1.162 -4.084 1.00 5.11 H new ATOM 0 HG2 MET A 1 4.143 -2.692 -2.198 1.00 65.43 H new ATOM 0 HG3 MET A 1 3.210 -1.426 -1.424 1.00 65.43 H new ATOM 0 HE1 MET A 1 0.374 -3.848 -2.615 1.00 5.54 H new ATOM 0 HE2 MET A 1 1.974 -4.276 -1.963 1.00 5.54 H new ATOM 0 HE3 MET A 1 1.054 -2.929 -1.252 1.00 5.54 H new ATOM 20 N THR A 2 7.046 -1.711 -0.964 1.00 51.15 N ATOM 21 CA THR A 2 8.038 -2.768 -0.691 1.00 61.43 C ATOM 22 C THR A 2 7.359 -4.062 -0.203 1.00 1.44 C ATOM 23 O THR A 2 8.028 -4.992 0.249 1.00 43.24 O ATOM 24 CB THR A 2 9.062 -2.299 0.383 1.00 21.10 C ATOM 25 OG1 THR A 2 9.456 -0.942 0.131 1.00 43.14 O ATOM 26 CG2 THR A 2 10.310 -3.181 0.398 1.00 11.31 C ATOM 0 H THR A 2 6.759 -1.183 -0.140 1.00 51.15 H new ATOM 0 HA THR A 2 8.557 -2.971 -1.628 1.00 61.43 H new ATOM 0 HB THR A 2 8.571 -2.375 1.353 1.00 21.10 H new ATOM 0 HG1 THR A 2 10.099 -0.656 0.813 1.00 43.14 H new ATOM 0 HG21 THR A 2 11.001 -2.821 1.161 1.00 11.31 H new ATOM 0 HG22 THR A 2 10.026 -4.209 0.621 1.00 11.31 H new ATOM 0 HG23 THR A 2 10.795 -3.142 -0.578 1.00 11.31 H new ATOM 34 N ALA A 3 6.027 -4.117 -0.319 1.00 41.02 N ATOM 35 CA ALA A 3 5.233 -5.234 0.221 1.00 54.42 C ATOM 36 C ALA A 3 5.339 -5.279 1.757 1.00 51.21 C ATOM 37 O ALA A 3 5.573 -4.247 2.394 1.00 15.13 O ATOM 38 CB ALA A 3 5.667 -6.561 -0.407 1.00 1.31 C ATOM 0 H ALA A 3 5.471 -3.399 -0.784 1.00 41.02 H new ATOM 0 HA ALA A 3 4.187 -5.072 -0.038 1.00 54.42 H new ATOM 0 HB1 ALA A 3 5.068 -7.372 0.006 1.00 1.31 H new ATOM 0 HB2 ALA A 3 5.523 -6.517 -1.487 1.00 1.31 H new ATOM 0 HB3 ALA A 3 6.720 -6.740 -0.188 1.00 1.31 H new ATOM 44 N ALA A 4 5.128 -6.456 2.348 1.00 34.51 N ATOM 45 CA ALA A 4 5.314 -6.645 3.792 1.00 53.40 C ATOM 46 C ALA A 4 6.718 -6.185 4.240 1.00 25.54 C ATOM 47 O ALA A 4 7.723 -6.776 3.846 1.00 12.34 O ATOM 48 CB ALA A 4 5.089 -8.108 4.164 1.00 33.43 C ATOM 0 H ALA A 4 4.828 -7.295 1.851 1.00 34.51 H new ATOM 0 HA ALA A 4 4.579 -6.030 4.312 1.00 53.40 H new ATOM 0 HB1 ALA A 4 5.230 -8.236 5.237 1.00 33.43 H new ATOM 0 HB2 ALA A 4 4.074 -8.400 3.893 1.00 33.43 H new ATOM 0 HB3 ALA A 4 5.802 -8.734 3.627 1.00 33.43 H new ATOM 54 N PRO A 5 6.798 -5.126 5.074 1.00 3.33 N ATOM 55 CA PRO A 5 8.083 -4.512 5.484 1.00 52.25 C ATOM 56 C PRO A 5 9.119 -5.517 6.025 1.00 41.22 C ATOM 57 O PRO A 5 10.323 -5.357 5.801 1.00 44.20 O ATOM 58 CB PRO A 5 7.661 -3.535 6.589 1.00 54.15 C ATOM 59 CG PRO A 5 6.248 -3.184 6.261 1.00 20.53 C ATOM 60 CD PRO A 5 5.642 -4.433 5.681 1.00 25.03 C ATOM 0 HA PRO A 5 8.586 -4.052 4.633 1.00 52.25 H new ATOM 0 HB2 PRO A 5 7.737 -3.994 7.575 1.00 54.15 H new ATOM 0 HB3 PRO A 5 8.297 -2.650 6.600 1.00 54.15 H new ATOM 0 HG2 PRO A 5 5.707 -2.864 7.152 1.00 20.53 H new ATOM 0 HG3 PRO A 5 6.205 -2.360 5.548 1.00 20.53 H new ATOM 0 HD2 PRO A 5 5.166 -5.043 6.449 1.00 25.03 H new ATOM 0 HD3 PRO A 5 4.878 -4.201 4.939 1.00 25.03 H new ATOM 68 N ALA A 6 8.640 -6.535 6.747 1.00 1.32 N ATOM 69 CA ALA A 6 9.499 -7.578 7.343 1.00 71.33 C ATOM 70 C ALA A 6 10.310 -7.061 8.549 1.00 74.41 C ATOM 71 O ALA A 6 10.355 -7.709 9.597 1.00 45.21 O ATOM 72 CB ALA A 6 10.425 -8.195 6.295 1.00 13.11 C ATOM 0 H ALA A 6 7.646 -6.664 6.938 1.00 1.32 H new ATOM 0 HA ALA A 6 8.830 -8.353 7.717 1.00 71.33 H new ATOM 0 HB1 ALA A 6 11.045 -8.959 6.763 1.00 13.11 H new ATOM 0 HB2 ALA A 6 9.828 -8.647 5.503 1.00 13.11 H new ATOM 0 HB3 ALA A 6 11.063 -7.419 5.871 1.00 13.11 H new ATOM 78 N SER A 7 10.963 -5.907 8.393 1.00 14.44 N ATOM 79 CA SER A 7 11.711 -5.285 9.494 1.00 13.13 C ATOM 80 C SER A 7 10.803 -4.377 10.338 1.00 10.23 C ATOM 81 O SER A 7 10.143 -3.481 9.812 1.00 44.12 O ATOM 82 CB SER A 7 12.896 -4.473 8.958 1.00 51.41 C ATOM 83 OG SER A 7 13.598 -3.838 10.017 1.00 44.40 O ATOM 0 H SER A 7 10.990 -5.383 7.518 1.00 14.44 H new ATOM 0 HA SER A 7 12.088 -6.088 10.127 1.00 13.13 H new ATOM 0 HB2 SER A 7 13.573 -5.129 8.410 1.00 51.41 H new ATOM 0 HB3 SER A 7 12.538 -3.723 8.253 1.00 51.41 H new ATOM 0 HG SER A 7 14.436 -3.462 9.675 1.00 44.40 H new ATOM 89 N PRO A 8 10.762 -4.597 11.667 1.00 12.13 N ATOM 90 CA PRO A 8 9.884 -3.839 12.585 1.00 71.51 C ATOM 91 C PRO A 8 10.176 -2.326 12.642 1.00 43.14 C ATOM 92 O PRO A 8 9.280 -1.525 12.913 1.00 73.43 O ATOM 93 CB PRO A 8 10.164 -4.484 13.954 1.00 40.24 C ATOM 94 CG PRO A 8 10.744 -5.822 13.639 1.00 54.42 C ATOM 95 CD PRO A 8 11.546 -5.619 12.387 1.00 60.11 C ATOM 0 HA PRO A 8 8.846 -3.892 12.256 1.00 71.51 H new ATOM 0 HB2 PRO A 8 10.858 -3.881 14.540 1.00 40.24 H new ATOM 0 HB3 PRO A 8 9.250 -4.578 14.540 1.00 40.24 H new ATOM 0 HG2 PRO A 8 11.372 -6.181 14.455 1.00 54.42 H new ATOM 0 HG3 PRO A 8 9.961 -6.565 13.489 1.00 54.42 H new ATOM 0 HD2 PRO A 8 12.557 -5.276 12.604 1.00 60.11 H new ATOM 0 HD3 PRO A 8 11.639 -6.540 11.811 1.00 60.11 H new ATOM 103 N GLN A 9 11.423 -1.935 12.383 1.00 14.32 N ATOM 104 CA GLN A 9 11.837 -0.530 12.531 1.00 2.43 C ATOM 105 C GLN A 9 11.084 0.408 11.571 1.00 54.31 C ATOM 106 O GLN A 9 10.625 1.479 11.966 1.00 62.12 O ATOM 107 CB GLN A 9 13.353 -0.403 12.316 1.00 30.15 C ATOM 108 CG GLN A 9 13.834 -0.845 10.937 1.00 32.21 C ATOM 109 CD GLN A 9 15.348 -0.837 10.808 1.00 1.25 C ATOM 110 OE1 GLN A 9 15.893 -0.562 9.742 1.00 35.02 O ATOM 111 NE2 GLN A 9 16.040 -1.166 11.882 1.00 44.23 N ATOM 0 H GLN A 9 12.164 -2.563 12.071 1.00 14.32 H new ATOM 0 HA GLN A 9 11.583 -0.222 13.545 1.00 2.43 H new ATOM 0 HB2 GLN A 9 13.644 0.636 12.473 1.00 30.15 H new ATOM 0 HB3 GLN A 9 13.866 -0.996 13.073 1.00 30.15 H new ATOM 0 HG2 GLN A 9 13.462 -1.849 10.733 1.00 32.21 H new ATOM 0 HG3 GLN A 9 13.406 -0.187 10.181 1.00 32.21 H new ATOM 0 HE21 GLN A 9 15.556 -1.389 12.752 1.00 44.23 H new ATOM 0 HE22 GLN A 9 17.059 -1.198 11.842 1.00 44.23 H new ATOM 120 N GLN A 10 10.947 -0.012 10.318 1.00 0.50 N ATOM 121 CA GLN A 10 10.228 0.770 9.301 1.00 51.12 C ATOM 122 C GLN A 10 8.713 0.815 9.574 1.00 15.32 C ATOM 123 O GLN A 10 8.036 1.785 9.225 1.00 62.20 O ATOM 124 CB GLN A 10 10.535 0.223 7.898 1.00 14.41 C ATOM 125 CG GLN A 10 10.414 -1.291 7.778 1.00 52.41 C ATOM 126 CD GLN A 10 11.059 -1.829 6.514 1.00 5.42 C ATOM 127 OE1 GLN A 10 10.419 -1.960 5.477 1.00 12.20 O ATOM 128 NE2 GLN A 10 12.341 -2.127 6.589 1.00 23.05 N ATOM 0 H GLN A 10 11.325 -0.895 9.974 1.00 0.50 H new ATOM 0 HA GLN A 10 10.582 1.800 9.354 1.00 51.12 H new ATOM 0 HB2 GLN A 10 9.857 0.688 7.182 1.00 14.41 H new ATOM 0 HB3 GLN A 10 11.546 0.519 7.618 1.00 14.41 H new ATOM 0 HG2 GLN A 10 10.878 -1.759 8.646 1.00 52.41 H new ATOM 0 HG3 GLN A 10 9.360 -1.570 7.791 1.00 52.41 H new ATOM 0 HE21 GLN A 10 12.842 -2.005 7.469 1.00 23.05 H new ATOM 0 HE22 GLN A 10 12.832 -2.479 5.767 1.00 23.05 H new ATOM 137 N ILE A 11 8.187 -0.242 10.197 1.00 23.32 N ATOM 138 CA ILE A 11 6.761 -0.307 10.551 1.00 43.22 C ATOM 139 C ILE A 11 6.370 0.836 11.507 1.00 61.35 C ATOM 140 O ILE A 11 5.256 1.363 11.441 1.00 5.43 O ATOM 141 CB ILE A 11 6.403 -1.670 11.203 1.00 30.53 C ATOM 142 CG1 ILE A 11 6.773 -2.826 10.258 1.00 1.32 C ATOM 143 CG2 ILE A 11 4.917 -1.727 11.570 1.00 12.43 C ATOM 144 CD1 ILE A 11 6.495 -4.203 10.828 1.00 30.42 C ATOM 0 H ILE A 11 8.724 -1.066 10.468 1.00 23.32 H new ATOM 0 HA ILE A 11 6.198 -0.201 9.624 1.00 43.22 H new ATOM 0 HB ILE A 11 6.980 -1.773 12.122 1.00 30.53 H new ATOM 0 HG12 ILE A 11 6.219 -2.711 9.326 1.00 1.32 H new ATOM 0 HG13 ILE A 11 7.832 -2.754 10.010 1.00 1.32 H new ATOM 0 HG21 ILE A 11 4.691 -2.691 12.025 1.00 12.43 H new ATOM 0 HG22 ILE A 11 4.686 -0.930 12.276 1.00 12.43 H new ATOM 0 HG23 ILE A 11 4.315 -1.601 10.670 1.00 12.43 H new ATOM 0 HD11 ILE A 11 6.783 -4.963 10.101 1.00 30.42 H new ATOM 0 HD12 ILE A 11 7.070 -4.341 11.744 1.00 30.42 H new ATOM 0 HD13 ILE A 11 5.432 -4.297 11.049 1.00 30.42 H new ATOM 156 N ARG A 12 7.301 1.224 12.381 1.00 53.41 N ATOM 157 CA ARG A 12 7.076 2.327 13.326 1.00 61.24 C ATOM 158 C ARG A 12 6.701 3.634 12.599 1.00 64.12 C ATOM 159 O ARG A 12 5.740 4.305 12.974 1.00 11.43 O ATOM 160 CB ARG A 12 8.331 2.538 14.191 1.00 14.45 C ATOM 161 CG ARG A 12 8.319 3.833 15.003 1.00 45.55 C ATOM 162 CD ARG A 12 9.573 3.982 15.859 1.00 30.11 C ATOM 163 NE ARG A 12 9.797 5.369 16.264 1.00 21.32 N ATOM 164 CZ ARG A 12 10.494 5.733 17.307 1.00 52.12 C ATOM 165 NH1 ARG A 12 10.942 4.856 18.145 1.00 75.03 N1+ ATOM 166 NH2 ARG A 12 10.730 6.985 17.523 1.00 63.34 N ATOM 0 H ARG A 12 8.221 0.791 12.456 1.00 53.41 H new ATOM 0 HA ARG A 12 6.236 2.056 13.965 1.00 61.24 H new ATOM 0 HB2 ARG A 12 8.435 1.695 14.874 1.00 14.45 H new ATOM 0 HB3 ARG A 12 9.209 2.535 13.545 1.00 14.45 H new ATOM 0 HG2 ARG A 12 8.238 4.684 14.327 1.00 45.55 H new ATOM 0 HG3 ARG A 12 7.438 3.851 15.644 1.00 45.55 H new ATOM 0 HD2 ARG A 12 9.483 3.355 16.746 1.00 30.11 H new ATOM 0 HD3 ARG A 12 10.438 3.623 15.301 1.00 30.11 H new ATOM 0 HE ARG A 12 9.380 6.103 15.692 1.00 21.32 H new ATOM 0 HH11 ARG A 12 10.753 3.865 17.996 1.00 75.03 H new ATOM 0 HH12 ARG A 12 11.485 5.155 18.955 1.00 75.03 H new ATOM 0 HH21 ARG A 12 10.372 7.690 16.879 1.00 63.34 H new ATOM 0 HH22 ARG A 12 11.274 7.268 18.338 1.00 63.34 H new ATOM 180 N ASP A 13 7.446 3.977 11.548 1.00 45.21 N ATOM 181 CA ASP A 13 7.164 5.186 10.762 1.00 22.43 C ATOM 182 C ASP A 13 5.741 5.138 10.175 1.00 31.52 C ATOM 183 O ASP A 13 5.009 6.135 10.185 1.00 43.11 O ATOM 184 CB ASP A 13 8.199 5.330 9.637 1.00 2.45 C ATOM 185 CG ASP A 13 8.040 6.628 8.862 1.00 2.23 C ATOM 186 OD1 ASP A 13 8.715 7.620 9.204 1.00 71.53 O ATOM 187 OD2 ASP A 13 7.234 6.669 7.908 1.00 34.40 O1- ATOM 0 H ASP A 13 8.248 3.439 11.219 1.00 45.21 H new ATOM 0 HA ASP A 13 7.230 6.052 11.421 1.00 22.43 H new ATOM 0 HB2 ASP A 13 9.202 5.285 10.062 1.00 2.45 H new ATOM 0 HB3 ASP A 13 8.105 4.488 8.952 1.00 2.45 H new ATOM 192 N ARG A 14 5.355 3.965 9.679 1.00 3.34 N ATOM 193 CA ARG A 14 4.021 3.758 9.103 1.00 60.22 C ATOM 194 C ARG A 14 2.909 3.952 10.148 1.00 0.00 C ATOM 195 O ARG A 14 1.797 4.354 9.813 1.00 65.10 O ATOM 196 CB ARG A 14 3.923 2.365 8.469 1.00 11.01 C ATOM 197 CG ARG A 14 4.950 2.129 7.363 1.00 34.31 C ATOM 198 CD ARG A 14 4.862 3.191 6.266 1.00 21.20 C ATOM 199 NE ARG A 14 5.860 2.982 5.218 1.00 3.15 N ATOM 200 CZ ARG A 14 6.345 3.932 4.460 1.00 64.04 C ATOM 201 NH1 ARG A 14 5.938 5.155 4.583 1.00 24.34 N1+ ATOM 202 NH2 ARG A 14 7.231 3.649 3.564 1.00 71.32 N ATOM 0 H ARG A 14 5.949 3.136 9.663 1.00 3.34 H new ATOM 0 HA ARG A 14 3.877 4.512 8.329 1.00 60.22 H new ATOM 0 HB2 ARG A 14 4.055 1.611 9.245 1.00 11.01 H new ATOM 0 HB3 ARG A 14 2.922 2.230 8.060 1.00 11.01 H new ATOM 0 HG2 ARG A 14 5.952 2.132 7.792 1.00 34.31 H new ATOM 0 HG3 ARG A 14 4.793 1.143 6.927 1.00 34.31 H new ATOM 0 HD2 ARG A 14 3.865 3.175 5.825 1.00 21.20 H new ATOM 0 HD3 ARG A 14 5.000 4.179 6.706 1.00 21.20 H new ATOM 0 HE ARG A 14 6.201 2.032 5.068 1.00 3.15 H new ATOM 0 HH11 ARG A 14 5.229 5.389 5.278 1.00 24.34 H new ATOM 0 HH12 ARG A 14 6.326 5.884 3.985 1.00 24.34 H new ATOM 0 HH21 ARG A 14 7.551 2.687 3.449 1.00 71.32 H new ATOM 0 HH22 ARG A 14 7.611 4.387 2.972 1.00 71.32 H new ATOM 216 N LEU A 15 3.204 3.644 11.407 1.00 2.42 N ATOM 217 CA LEU A 15 2.259 3.883 12.505 1.00 21.02 C ATOM 218 C LEU A 15 1.900 5.378 12.624 1.00 22.41 C ATOM 219 O LEU A 15 0.727 5.747 12.706 1.00 12.15 O ATOM 220 CB LEU A 15 2.864 3.397 13.832 1.00 43.10 C ATOM 221 CG LEU A 15 1.999 3.634 15.082 1.00 62.02 C ATOM 222 CD1 LEU A 15 0.760 2.740 15.069 1.00 25.53 C ATOM 223 CD2 LEU A 15 2.819 3.421 16.354 1.00 15.00 C ATOM 0 H LEU A 15 4.089 3.228 11.698 1.00 2.42 H new ATOM 0 HA LEU A 15 1.347 3.327 12.287 1.00 21.02 H new ATOM 0 HB2 LEU A 15 3.066 2.329 13.749 1.00 43.10 H new ATOM 0 HB3 LEU A 15 3.824 3.893 13.977 1.00 43.10 H new ATOM 0 HG LEU A 15 1.660 4.670 15.069 1.00 62.02 H new ATOM 0 HD11 LEU A 15 0.166 2.928 15.964 1.00 25.53 H new ATOM 0 HD12 LEU A 15 0.162 2.959 14.184 1.00 25.53 H new ATOM 0 HD13 LEU A 15 1.066 1.694 15.050 1.00 25.53 H new ATOM 0 HD21 LEU A 15 2.189 3.594 17.226 1.00 15.00 H new ATOM 0 HD22 LEU A 15 3.197 2.399 16.376 1.00 15.00 H new ATOM 0 HD23 LEU A 15 3.657 4.118 16.368 1.00 15.00 H new ATOM 235 N LEU A 16 2.924 6.229 12.614 1.00 72.20 N ATOM 236 CA LEU A 16 2.754 7.673 12.848 1.00 12.43 C ATOM 237 C LEU A 16 1.880 8.368 11.786 1.00 25.44 C ATOM 238 O LEU A 16 1.245 9.379 12.076 1.00 41.14 O ATOM 239 CB LEU A 16 4.125 8.367 12.946 1.00 1.55 C ATOM 240 CG LEU A 16 4.852 8.220 14.300 1.00 45.15 C ATOM 241 CD1 LEU A 16 5.140 6.757 14.627 1.00 15.14 C ATOM 242 CD2 LEU A 16 6.140 9.038 14.311 1.00 52.51 C ATOM 0 H LEU A 16 3.890 5.947 12.446 1.00 72.20 H new ATOM 0 HA LEU A 16 2.224 7.768 13.796 1.00 12.43 H new ATOM 0 HB2 LEU A 16 4.770 7.969 12.163 1.00 1.55 H new ATOM 0 HB3 LEU A 16 3.990 9.429 12.740 1.00 1.55 H new ATOM 0 HG LEU A 16 4.189 8.606 15.074 1.00 45.15 H new ATOM 0 HD11 LEU A 16 5.652 6.693 15.587 1.00 15.14 H new ATOM 0 HD12 LEU A 16 4.202 6.204 14.679 1.00 15.14 H new ATOM 0 HD13 LEU A 16 5.772 6.328 13.849 1.00 15.14 H new ATOM 0 HD21 LEU A 16 6.637 8.921 15.274 1.00 52.51 H new ATOM 0 HD22 LEU A 16 6.800 8.688 13.517 1.00 52.51 H new ATOM 0 HD23 LEU A 16 5.904 10.090 14.150 1.00 52.51 H new ATOM 254 N GLN A 17 1.848 7.845 10.559 1.00 34.22 N ATOM 255 CA GLN A 17 1.040 8.467 9.495 1.00 4.11 C ATOM 256 C GLN A 17 -0.461 8.174 9.670 1.00 11.01 C ATOM 257 O GLN A 17 -1.302 8.817 9.042 1.00 44.20 O ATOM 258 CB GLN A 17 1.531 8.029 8.097 1.00 63.41 C ATOM 259 CG GLN A 17 1.496 6.522 7.836 1.00 73.45 C ATOM 260 CD GLN A 17 0.112 5.983 7.484 1.00 35.14 C ATOM 261 OE1 GLN A 17 -0.704 6.666 6.874 1.00 34.03 O ATOM 262 NE2 GLN A 17 -0.165 4.755 7.874 1.00 61.14 N ATOM 0 H GLN A 17 2.359 7.009 10.275 1.00 34.22 H new ATOM 0 HA GLN A 17 1.171 9.546 9.578 1.00 4.11 H new ATOM 0 HB2 GLN A 17 0.921 8.526 7.343 1.00 63.41 H new ATOM 0 HB3 GLN A 17 2.554 8.381 7.962 1.00 63.41 H new ATOM 0 HG2 GLN A 17 2.183 6.289 7.022 1.00 73.45 H new ATOM 0 HG3 GLN A 17 1.862 6.002 8.721 1.00 73.45 H new ATOM 0 HE21 GLN A 17 0.534 4.211 8.380 1.00 61.14 H new ATOM 0 HE22 GLN A 17 -1.078 4.349 7.670 1.00 61.14 H new ATOM 271 N ALA A 18 -0.788 7.207 10.529 1.00 73.32 N ATOM 272 CA ALA A 18 -2.184 6.814 10.769 1.00 61.12 C ATOM 273 C ALA A 18 -2.740 7.399 12.081 1.00 64.21 C ATOM 274 O ALA A 18 -3.958 7.407 12.300 1.00 32.44 O ATOM 275 CB ALA A 18 -2.298 5.293 10.782 1.00 4.23 C ATOM 0 H ALA A 18 -0.106 6.679 11.073 1.00 73.32 H new ATOM 0 HA ALA A 18 -2.784 7.222 9.956 1.00 61.12 H new ATOM 0 HB1 ALA A 18 -3.335 5.007 10.960 1.00 4.23 H new ATOM 0 HB2 ALA A 18 -1.972 4.895 9.821 1.00 4.23 H new ATOM 0 HB3 ALA A 18 -1.669 4.888 11.574 1.00 4.23 H new ATOM 281 N ILE A 19 -1.854 7.890 12.950 1.00 25.13 N ATOM 282 CA ILE A 19 -2.259 8.420 14.262 1.00 61.15 C ATOM 283 C ILE A 19 -1.679 9.821 14.529 1.00 72.21 C ATOM 284 O ILE A 19 -0.772 10.277 13.837 1.00 53.13 O ATOM 285 CB ILE A 19 -1.822 7.476 15.417 1.00 4.20 C ATOM 286 CG1 ILE A 19 -0.288 7.376 15.485 1.00 23.42 C ATOM 287 CG2 ILE A 19 -2.444 6.091 15.246 1.00 61.41 C ATOM 288 CD1 ILE A 19 0.226 6.555 16.652 1.00 41.44 C ATOM 0 H ILE A 19 -0.850 7.933 12.773 1.00 25.13 H new ATOM 0 HA ILE A 19 -3.347 8.487 14.233 1.00 61.15 H new ATOM 0 HB ILE A 19 -2.180 7.898 16.356 1.00 4.20 H new ATOM 0 HG12 ILE A 19 0.079 6.938 14.557 1.00 23.42 H new ATOM 0 HG13 ILE A 19 0.129 8.381 15.550 1.00 23.42 H new ATOM 0 HG21 ILE A 19 -2.126 5.446 16.065 1.00 61.41 H new ATOM 0 HG22 ILE A 19 -3.531 6.177 15.253 1.00 61.41 H new ATOM 0 HG23 ILE A 19 -2.120 5.661 14.298 1.00 61.41 H new ATOM 0 HD11 ILE A 19 1.316 6.533 16.629 1.00 41.44 H new ATOM 0 HD12 ILE A 19 -0.108 7.003 17.588 1.00 41.44 H new ATOM 0 HD13 ILE A 19 -0.159 5.538 16.579 1.00 41.44 H new ATOM 300 N ASP A 20 -2.222 10.492 15.540 1.00 63.15 N ATOM 301 CA ASP A 20 -1.726 11.805 15.982 1.00 34.15 C ATOM 302 C ASP A 20 -0.972 11.719 17.319 1.00 53.00 C ATOM 303 O ASP A 20 -1.289 10.884 18.165 1.00 24.11 O ATOM 304 CB ASP A 20 -2.900 12.793 16.116 1.00 43.22 C ATOM 305 CG ASP A 20 -2.627 14.123 15.436 1.00 11.43 C ATOM 306 OD1 ASP A 20 -2.763 15.172 16.103 1.00 72.51 O ATOM 307 OD2 ASP A 20 -2.251 14.127 14.252 1.00 31.23 O1- ATOM 0 H ASP A 20 -3.017 10.148 16.079 1.00 63.15 H new ATOM 0 HA ASP A 20 -1.025 12.158 15.226 1.00 34.15 H new ATOM 0 HB2 ASP A 20 -3.796 12.347 15.685 1.00 43.22 H new ATOM 0 HB3 ASP A 20 -3.106 12.965 17.172 1.00 43.22 H new ATOM 312 N PRO A 21 0.031 12.603 17.538 1.00 22.45 N ATOM 313 CA PRO A 21 0.700 12.744 18.849 1.00 12.43 C ATOM 314 C PRO A 21 -0.297 13.008 19.995 1.00 31.34 C ATOM 315 O PRO A 21 0.047 12.908 21.172 1.00 52.50 O ATOM 316 CB PRO A 21 1.628 13.952 18.646 1.00 13.34 C ATOM 317 CG PRO A 21 1.890 13.982 17.178 1.00 62.34 C ATOM 318 CD PRO A 21 0.619 13.506 16.524 1.00 50.51 C ATOM 0 HA PRO A 21 1.223 11.833 19.140 1.00 12.43 H new ATOM 0 HB2 PRO A 21 1.157 14.875 18.984 1.00 13.34 H new ATOM 0 HB3 PRO A 21 2.553 13.841 19.212 1.00 13.34 H new ATOM 0 HG2 PRO A 21 2.147 14.988 16.847 1.00 62.34 H new ATOM 0 HG3 PRO A 21 2.729 13.337 16.917 1.00 62.34 H new ATOM 0 HD2 PRO A 21 -0.048 14.336 16.290 1.00 50.51 H new ATOM 0 HD3 PRO A 21 0.819 12.984 15.588 1.00 50.51 H new ATOM 326 N GLN A 22 -1.535 13.359 19.632 1.00 41.42 N ATOM 327 CA GLN A 22 -2.628 13.525 20.600 1.00 41.34 C ATOM 328 C GLN A 22 -3.323 12.182 20.912 1.00 34.03 C ATOM 329 O GLN A 22 -4.395 12.162 21.517 1.00 75.34 O ATOM 330 CB GLN A 22 -3.656 14.550 20.068 1.00 41.23 C ATOM 331 CG GLN A 22 -3.596 15.920 20.749 1.00 60.35 C ATOM 332 CD GLN A 22 -4.357 15.989 22.076 1.00 34.25 C ATOM 333 OE1 GLN A 22 -4.853 17.041 22.460 1.00 41.54 O ATOM 334 NE2 GLN A 22 -4.474 14.879 22.785 1.00 2.42 N ATOM 0 H GLN A 22 -1.808 13.535 18.665 1.00 41.42 H new ATOM 0 HA GLN A 22 -2.197 13.896 21.530 1.00 41.34 H new ATOM 0 HB2 GLN A 22 -3.497 14.683 18.998 1.00 41.23 H new ATOM 0 HB3 GLN A 22 -4.658 14.139 20.193 1.00 41.23 H new ATOM 0 HG2 GLN A 22 -2.553 16.181 20.926 1.00 60.35 H new ATOM 0 HG3 GLN A 22 -4.001 16.670 20.070 1.00 60.35 H new ATOM 0 HE21 GLN A 22 -4.054 14.012 22.449 1.00 2.42 H new ATOM 0 HE22 GLN A 22 -4.984 14.889 23.668 1.00 2.42 H new ATOM 343 N SER A 23 -2.709 11.074 20.488 1.00 31.01 N ATOM 344 CA SER A 23 -3.204 9.718 20.796 1.00 63.31 C ATOM 345 C SER A 23 -4.571 9.414 20.162 1.00 62.33 C ATOM 346 O SER A 23 -5.316 8.576 20.667 1.00 13.45 O ATOM 347 CB SER A 23 -3.281 9.500 22.316 1.00 74.13 C ATOM 348 OG SER A 23 -1.993 9.526 22.909 1.00 1.41 O ATOM 0 H SER A 23 -1.859 11.085 19.924 1.00 31.01 H new ATOM 0 HA SER A 23 -2.484 9.027 20.358 1.00 63.31 H new ATOM 0 HB2 SER A 23 -3.905 10.273 22.765 1.00 74.13 H new ATOM 0 HB3 SER A 23 -3.760 8.543 22.524 1.00 74.13 H new ATOM 0 HG SER A 23 -1.701 8.610 23.097 1.00 1.41 H new ATOM 354 N ASN A 24 -4.903 10.080 19.056 1.00 21.05 N ATOM 355 CA ASN A 24 -6.161 9.795 18.347 1.00 43.31 C ATOM 356 C ASN A 24 -5.907 9.139 16.980 1.00 35.43 C ATOM 357 O ASN A 24 -4.951 9.476 16.275 1.00 12.31 O ATOM 358 CB ASN A 24 -7.005 11.067 18.184 1.00 2.31 C ATOM 359 CG ASN A 24 -6.291 12.155 17.411 1.00 53.32 C ATOM 360 OD1 ASN A 24 -6.345 12.204 16.187 1.00 43.13 O ATOM 361 ND2 ASN A 24 -5.631 13.047 18.118 1.00 32.54 N ATOM 0 H ASN A 24 -4.331 10.811 18.633 1.00 21.05 H new ATOM 0 HA ASN A 24 -6.720 9.087 18.958 1.00 43.31 H new ATOM 0 HB2 ASN A 24 -7.935 10.817 17.673 1.00 2.31 H new ATOM 0 HB3 ASN A 24 -7.275 11.446 19.170 1.00 2.31 H new ATOM 0 HD21 ASN A 24 -5.143 13.810 17.649 1.00 32.54 H new ATOM 0 HD22 ASN A 24 -5.607 12.975 19.135 1.00 32.54 H new ATOM 368 N ILE A 25 -6.770 8.191 16.622 1.00 40.11 N ATOM 369 CA ILE A 25 -6.701 7.511 15.323 1.00 44.32 C ATOM 370 C ILE A 25 -7.171 8.439 14.187 1.00 13.21 C ATOM 371 O ILE A 25 -8.327 8.862 14.166 1.00 62.13 O ATOM 372 CB ILE A 25 -7.581 6.230 15.325 1.00 4.44 C ATOM 373 CG1 ILE A 25 -7.131 5.258 16.435 1.00 54.43 C ATOM 374 CG2 ILE A 25 -7.556 5.544 13.958 1.00 60.21 C ATOM 375 CD1 ILE A 25 -5.700 4.775 16.296 1.00 1.13 C ATOM 0 H ILE A 25 -7.534 7.871 17.217 1.00 40.11 H new ATOM 0 HA ILE A 25 -5.660 7.237 15.154 1.00 44.32 H new ATOM 0 HB ILE A 25 -8.609 6.529 15.531 1.00 4.44 H new ATOM 0 HG12 ILE A 25 -7.244 5.750 17.401 1.00 54.43 H new ATOM 0 HG13 ILE A 25 -7.796 4.394 16.437 1.00 54.43 H new ATOM 0 HG21 ILE A 25 -8.180 4.651 13.988 1.00 60.21 H new ATOM 0 HG22 ILE A 25 -7.938 6.228 13.200 1.00 60.21 H new ATOM 0 HG23 ILE A 25 -6.532 5.263 13.710 1.00 60.21 H new ATOM 0 HD11 ILE A 25 -5.464 4.096 17.116 1.00 1.13 H new ATOM 0 HD12 ILE A 25 -5.583 4.252 15.347 1.00 1.13 H new ATOM 0 HD13 ILE A 25 -5.023 5.629 16.326 1.00 1.13 H new ATOM 387 N ARG A 26 -6.281 8.753 13.244 1.00 73.41 N ATOM 388 CA ARG A 26 -6.638 9.640 12.127 1.00 5.13 C ATOM 389 C ARG A 26 -7.166 8.850 10.920 1.00 44.30 C ATOM 390 O ARG A 26 -8.162 9.236 10.304 1.00 22.02 O ATOM 391 CB ARG A 26 -5.438 10.496 11.702 1.00 3.20 C ATOM 392 CG ARG A 26 -4.892 11.384 12.814 1.00 42.03 C ATOM 393 CD ARG A 26 -3.915 12.421 12.275 1.00 24.32 C ATOM 394 NE ARG A 26 -4.564 13.358 11.355 1.00 52.22 N ATOM 395 CZ ARG A 26 -4.229 14.614 11.218 1.00 62.44 C ATOM 396 NH1 ARG A 26 -3.296 15.134 11.950 1.00 3.34 N1+ ATOM 397 NH2 ARG A 26 -4.847 15.352 10.355 1.00 24.12 N ATOM 0 H ARG A 26 -5.319 8.413 13.227 1.00 73.41 H new ATOM 0 HA ARG A 26 -7.435 10.294 12.481 1.00 5.13 H new ATOM 0 HB2 ARG A 26 -4.642 9.840 11.350 1.00 3.20 H new ATOM 0 HB3 ARG A 26 -5.731 11.123 10.860 1.00 3.20 H new ATOM 0 HG2 ARG A 26 -5.718 11.888 13.317 1.00 42.03 H new ATOM 0 HG3 ARG A 26 -4.393 10.767 13.561 1.00 42.03 H new ATOM 0 HD2 ARG A 26 -3.477 12.973 13.106 1.00 24.32 H new ATOM 0 HD3 ARG A 26 -3.097 11.916 11.761 1.00 24.32 H new ATOM 0 HE ARG A 26 -5.331 13.006 10.781 1.00 52.22 H new ATOM 0 HH11 ARG A 26 -2.813 14.562 12.643 1.00 3.34 H new ATOM 0 HH12 ARG A 26 -3.044 16.115 11.833 1.00 3.34 H new ATOM 0 HH21 ARG A 26 -5.593 14.954 9.784 1.00 24.12 H new ATOM 0 HH22 ARG A 26 -4.589 16.333 10.245 1.00 24.12 H new ATOM 411 N ASN A 27 -6.511 7.738 10.592 1.00 53.22 N ATOM 412 CA ASN A 27 -6.932 6.911 9.454 1.00 40.00 C ATOM 413 C ASN A 27 -7.238 5.475 9.901 1.00 11.43 C ATOM 414 O ASN A 27 -6.333 4.649 10.048 1.00 55.32 O ATOM 415 CB ASN A 27 -5.856 6.913 8.361 1.00 42.11 C ATOM 416 CG ASN A 27 -6.376 6.384 7.035 1.00 51.25 C ATOM 417 OD1 ASN A 27 -7.566 6.437 6.757 1.00 74.14 O ATOM 418 ND2 ASN A 27 -5.491 5.891 6.195 1.00 74.43 N ATOM 0 H ASN A 27 -5.693 7.388 11.091 1.00 53.22 H new ATOM 0 HA ASN A 27 -7.846 7.341 9.044 1.00 40.00 H new ATOM 0 HB2 ASN A 27 -5.484 7.928 8.223 1.00 42.11 H new ATOM 0 HB3 ASN A 27 -5.011 6.305 8.685 1.00 42.11 H new ATOM 0 HD21 ASN A 27 -5.791 5.541 5.285 1.00 74.43 H new ATOM 0 HD22 ASN A 27 -4.505 5.859 6.454 1.00 74.43 H new ATOM 425 N MET A 28 -8.518 5.184 10.109 1.00 3.55 N ATOM 426 CA MET A 28 -8.943 3.892 10.653 1.00 64.42 C ATOM 427 C MET A 28 -8.572 2.719 9.732 1.00 42.22 C ATOM 428 O MET A 28 -8.063 1.703 10.200 1.00 70.42 O ATOM 429 CB MET A 28 -10.453 3.909 10.933 1.00 0.13 C ATOM 430 CG MET A 28 -10.993 2.605 11.506 1.00 63.21 C ATOM 431 SD MET A 28 -12.687 2.759 12.111 1.00 71.22 S ATOM 432 CE MET A 28 -12.457 3.884 13.490 1.00 41.25 C ATOM 0 H MET A 28 -9.285 5.826 9.909 1.00 3.55 H new ATOM 0 HA MET A 28 -8.407 3.738 11.589 1.00 64.42 H new ATOM 0 HB2 MET A 28 -10.674 4.718 11.629 1.00 0.13 H new ATOM 0 HB3 MET A 28 -10.981 4.133 10.006 1.00 0.13 H new ATOM 0 HG2 MET A 28 -10.954 1.832 10.738 1.00 63.21 H new ATOM 0 HG3 MET A 28 -10.349 2.277 12.322 1.00 63.21 H new ATOM 0 HE1 MET A 28 -13.269 3.754 14.205 1.00 41.25 H new ATOM 0 HE2 MET A 28 -11.506 3.671 13.978 1.00 41.25 H new ATOM 0 HE3 MET A 28 -12.456 4.911 13.125 1.00 41.25 H new ATOM 442 N VAL A 29 -8.819 2.862 8.432 1.00 13.13 N ATOM 443 CA VAL A 29 -8.486 1.808 7.463 1.00 74.23 C ATOM 444 C VAL A 29 -6.986 1.446 7.495 1.00 35.04 C ATOM 445 O VAL A 29 -6.625 0.268 7.523 1.00 33.33 O ATOM 446 CB VAL A 29 -8.905 2.207 6.022 1.00 2.41 C ATOM 447 CG1 VAL A 29 -8.253 3.523 5.599 1.00 45.34 C ATOM 448 CG2 VAL A 29 -8.573 1.091 5.029 1.00 2.45 C ATOM 0 H VAL A 29 -9.247 3.692 8.021 1.00 13.13 H new ATOM 0 HA VAL A 29 -9.053 0.926 7.759 1.00 74.23 H new ATOM 0 HB VAL A 29 -9.985 2.355 6.019 1.00 2.41 H new ATOM 0 HG11 VAL A 29 -8.566 3.775 4.586 1.00 45.34 H new ATOM 0 HG12 VAL A 29 -8.559 4.316 6.281 1.00 45.34 H new ATOM 0 HG13 VAL A 29 -7.168 3.418 5.628 1.00 45.34 H new ATOM 0 HG21 VAL A 29 -8.876 1.394 4.027 1.00 2.45 H new ATOM 0 HG22 VAL A 29 -7.500 0.900 5.042 1.00 2.45 H new ATOM 0 HG23 VAL A 29 -9.106 0.183 5.310 1.00 2.45 H new ATOM 458 N ALA A 30 -6.116 2.460 7.509 1.00 40.31 N ATOM 459 CA ALA A 30 -4.666 2.232 7.579 1.00 31.41 C ATOM 460 C ALA A 30 -4.279 1.559 8.901 1.00 41.44 C ATOM 461 O ALA A 30 -3.471 0.632 8.928 1.00 72.51 O ATOM 462 CB ALA A 30 -3.911 3.545 7.410 1.00 4.42 C ATOM 0 H ALA A 30 -6.387 3.443 7.473 1.00 40.31 H new ATOM 0 HA ALA A 30 -4.389 1.563 6.764 1.00 31.41 H new ATOM 0 HB1 ALA A 30 -2.839 3.358 7.464 1.00 4.42 H new ATOM 0 HB2 ALA A 30 -4.154 3.983 6.442 1.00 4.42 H new ATOM 0 HB3 ALA A 30 -4.199 4.235 8.203 1.00 4.42 H new ATOM 468 N VAL A 31 -4.871 2.035 9.993 1.00 62.53 N ATOM 469 CA VAL A 31 -4.665 1.432 11.312 1.00 1.03 C ATOM 470 C VAL A 31 -5.059 -0.055 11.317 1.00 61.21 C ATOM 471 O VAL A 31 -4.276 -0.908 11.729 1.00 25.44 O ATOM 472 CB VAL A 31 -5.459 2.205 12.401 1.00 34.13 C ATOM 473 CG1 VAL A 31 -5.559 1.413 13.699 1.00 14.01 C ATOM 474 CG2 VAL A 31 -4.806 3.555 12.665 1.00 61.12 C ATOM 0 H VAL A 31 -5.499 2.839 9.993 1.00 62.53 H new ATOM 0 HA VAL A 31 -3.602 1.499 11.542 1.00 1.03 H new ATOM 0 HB VAL A 31 -6.471 2.356 12.026 1.00 34.13 H new ATOM 0 HG11 VAL A 31 -6.122 1.989 14.434 1.00 14.01 H new ATOM 0 HG12 VAL A 31 -6.069 0.468 13.510 1.00 14.01 H new ATOM 0 HG13 VAL A 31 -4.558 1.215 14.082 1.00 14.01 H new ATOM 0 HG21 VAL A 31 -5.370 4.089 13.430 1.00 61.12 H new ATOM 0 HG22 VAL A 31 -3.783 3.403 13.009 1.00 61.12 H new ATOM 0 HG23 VAL A 31 -4.797 4.141 11.746 1.00 61.12 H new ATOM 484 N LEU A 32 -6.258 -0.364 10.827 1.00 31.24 N ATOM 485 CA LEU A 32 -6.726 -1.755 10.745 1.00 43.23 C ATOM 486 C LEU A 32 -5.749 -2.631 9.941 1.00 32.14 C ATOM 487 O LEU A 32 -5.509 -3.790 10.287 1.00 24.41 O ATOM 488 CB LEU A 32 -8.128 -1.812 10.124 1.00 53.41 C ATOM 489 CG LEU A 32 -9.237 -1.140 10.952 1.00 22.24 C ATOM 490 CD1 LEU A 32 -10.578 -1.214 10.230 1.00 34.31 C ATOM 491 CD2 LEU A 32 -9.335 -1.769 12.342 1.00 1.40 C ATOM 0 H LEU A 32 -6.925 0.325 10.480 1.00 31.24 H new ATOM 0 HA LEU A 32 -6.772 -2.151 11.760 1.00 43.23 H new ATOM 0 HB2 LEU A 32 -8.093 -1.340 9.142 1.00 53.41 H new ATOM 0 HB3 LEU A 32 -8.396 -2.857 9.966 1.00 53.41 H new ATOM 0 HG LEU A 32 -8.976 -0.089 11.072 1.00 22.24 H new ATOM 0 HD11 LEU A 32 -11.345 -0.732 10.836 1.00 34.31 H new ATOM 0 HD12 LEU A 32 -10.502 -0.705 9.269 1.00 34.31 H new ATOM 0 HD13 LEU A 32 -10.847 -2.258 10.068 1.00 34.31 H new ATOM 0 HD21 LEU A 32 -10.126 -1.278 12.909 1.00 1.40 H new ATOM 0 HD22 LEU A 32 -9.563 -2.830 12.246 1.00 1.40 H new ATOM 0 HD23 LEU A 32 -8.386 -1.648 12.864 1.00 1.40 H new ATOM 503 N GLU A 33 -5.189 -2.066 8.870 1.00 22.23 N ATOM 504 CA GLU A 33 -4.140 -2.740 8.093 1.00 25.22 C ATOM 505 C GLU A 33 -2.919 -3.062 8.970 1.00 74.32 C ATOM 506 O GLU A 33 -2.404 -4.181 8.948 1.00 33.22 O ATOM 507 CB GLU A 33 -3.714 -1.868 6.899 1.00 22.24 C ATOM 508 CG GLU A 33 -4.735 -1.822 5.764 1.00 24.44 C ATOM 509 CD GLU A 33 -4.804 -3.129 4.985 1.00 73.54 C ATOM 510 OE1 GLU A 33 -4.127 -3.241 3.941 1.00 12.25 O ATOM 511 OE2 GLU A 33 -5.517 -4.060 5.424 1.00 43.25 O1- ATOM 0 H GLU A 33 -5.443 -1.143 8.518 1.00 22.23 H new ATOM 0 HA GLU A 33 -4.551 -3.679 7.721 1.00 25.22 H new ATOM 0 HB2 GLU A 33 -3.532 -0.853 7.251 1.00 22.24 H new ATOM 0 HB3 GLU A 33 -2.769 -2.244 6.508 1.00 22.24 H new ATOM 0 HG2 GLU A 33 -5.719 -1.596 6.174 1.00 24.44 H new ATOM 0 HG3 GLU A 33 -4.479 -1.010 5.083 1.00 24.44 H new ATOM 518 N VAL A 34 -2.469 -2.076 9.749 1.00 35.31 N ATOM 519 CA VAL A 34 -1.322 -2.260 10.647 1.00 23.22 C ATOM 520 C VAL A 34 -1.595 -3.355 11.690 1.00 12.15 C ATOM 521 O VAL A 34 -0.805 -4.286 11.845 1.00 13.05 O ATOM 522 CB VAL A 34 -0.954 -0.939 11.375 1.00 32.02 C ATOM 523 CG1 VAL A 34 0.204 -1.151 12.354 1.00 2.12 C ATOM 524 CG2 VAL A 34 -0.612 0.157 10.365 1.00 51.30 C ATOM 0 H VAL A 34 -2.879 -1.143 9.778 1.00 35.31 H new ATOM 0 HA VAL A 34 -0.482 -2.567 10.023 1.00 23.22 H new ATOM 0 HB VAL A 34 -1.824 -0.620 11.949 1.00 32.02 H new ATOM 0 HG11 VAL A 34 0.439 -0.209 12.849 1.00 2.12 H new ATOM 0 HG12 VAL A 34 -0.082 -1.892 13.101 1.00 2.12 H new ATOM 0 HG13 VAL A 34 1.080 -1.504 11.810 1.00 2.12 H new ATOM 0 HG21 VAL A 34 -0.357 1.074 10.896 1.00 51.30 H new ATOM 0 HG22 VAL A 34 0.237 -0.159 9.758 1.00 51.30 H new ATOM 0 HG23 VAL A 34 -1.472 0.338 9.720 1.00 51.30 H new ATOM 534 N ILE A 35 -2.729 -3.256 12.381 1.00 63.41 N ATOM 535 CA ILE A 35 -3.100 -4.243 13.403 1.00 64.33 C ATOM 536 C ILE A 35 -3.179 -5.658 12.802 1.00 40.53 C ATOM 537 O ILE A 35 -2.569 -6.594 13.320 1.00 33.31 O ATOM 538 CB ILE A 35 -4.450 -3.879 14.098 1.00 3.34 C ATOM 539 CG1 ILE A 35 -4.263 -2.742 15.129 1.00 75.53 C ATOM 540 CG2 ILE A 35 -5.074 -5.102 14.776 1.00 34.13 C ATOM 541 CD1 ILE A 35 -3.754 -1.442 14.553 1.00 64.40 C ATOM 0 H ILE A 35 -3.408 -2.505 12.255 1.00 63.41 H new ATOM 0 HA ILE A 35 -2.316 -4.227 14.161 1.00 64.33 H new ATOM 0 HB ILE A 35 -5.128 -3.531 13.319 1.00 3.34 H new ATOM 0 HG12 ILE A 35 -5.218 -2.556 15.621 1.00 75.53 H new ATOM 0 HG13 ILE A 35 -3.568 -3.079 15.898 1.00 75.53 H new ATOM 0 HG21 ILE A 35 -6.013 -4.816 15.251 1.00 34.13 H new ATOM 0 HG22 ILE A 35 -5.265 -5.873 14.030 1.00 34.13 H new ATOM 0 HG23 ILE A 35 -4.389 -5.489 15.531 1.00 34.13 H new ATOM 0 HD11 ILE A 35 -3.655 -0.705 15.350 1.00 64.40 H new ATOM 0 HD12 ILE A 35 -2.782 -1.606 14.087 1.00 64.40 H new ATOM 0 HD13 ILE A 35 -4.457 -1.075 13.805 1.00 64.40 H new ATOM 553 N SER A 36 -3.905 -5.802 11.690 1.00 33.35 N ATOM 554 CA SER A 36 -4.045 -7.107 11.019 1.00 51.52 C ATOM 555 C SER A 36 -2.682 -7.675 10.601 1.00 30.43 C ATOM 556 O SER A 36 -2.416 -8.870 10.764 1.00 51.13 O ATOM 557 CB SER A 36 -4.952 -6.996 9.786 1.00 35.43 C ATOM 558 OG SER A 36 -5.123 -8.262 9.157 1.00 20.30 O ATOM 0 H SER A 36 -4.404 -5.038 11.234 1.00 33.35 H new ATOM 0 HA SER A 36 -4.500 -7.788 11.738 1.00 51.52 H new ATOM 0 HB2 SER A 36 -5.924 -6.599 10.080 1.00 35.43 H new ATOM 0 HB3 SER A 36 -4.521 -6.290 9.077 1.00 35.43 H new ATOM 0 HG SER A 36 -5.706 -8.163 8.376 1.00 20.30 H new ATOM 564 N SER A 37 -1.821 -6.812 10.063 1.00 72.53 N ATOM 565 CA SER A 37 -0.466 -7.219 9.667 1.00 1.14 C ATOM 566 C SER A 37 0.337 -7.712 10.878 1.00 62.33 C ATOM 567 O SER A 37 1.008 -8.739 10.811 1.00 32.50 O ATOM 568 CB SER A 37 0.279 -6.057 8.991 1.00 4.22 C ATOM 569 OG SER A 37 -0.373 -5.646 7.797 1.00 63.44 O ATOM 0 H SER A 37 -2.033 -5.829 9.890 1.00 72.53 H new ATOM 0 HA SER A 37 -0.565 -8.038 8.955 1.00 1.14 H new ATOM 0 HB2 SER A 37 0.344 -5.215 9.680 1.00 4.22 H new ATOM 0 HB3 SER A 37 1.300 -6.362 8.763 1.00 4.22 H new ATOM 0 HG SER A 37 -1.160 -5.108 8.023 1.00 63.44 H new ATOM 575 N LEU A 38 0.249 -6.979 11.987 1.00 21.51 N ATOM 576 CA LEU A 38 0.944 -7.351 13.227 1.00 20.40 C ATOM 577 C LEU A 38 0.366 -8.638 13.846 1.00 4.24 C ATOM 578 O LEU A 38 1.060 -9.345 14.577 1.00 11.31 O ATOM 579 CB LEU A 38 0.903 -6.189 14.240 1.00 52.30 C ATOM 580 CG LEU A 38 2.058 -5.172 14.130 1.00 2.33 C ATOM 581 CD1 LEU A 38 2.136 -4.564 12.732 1.00 52.54 C ATOM 582 CD2 LEU A 38 1.913 -4.076 15.186 1.00 13.20 C ATOM 0 H LEU A 38 -0.298 -6.121 12.056 1.00 21.51 H new ATOM 0 HA LEU A 38 1.984 -7.555 12.972 1.00 20.40 H new ATOM 0 HB2 LEU A 38 -0.040 -5.656 14.118 1.00 52.30 H new ATOM 0 HB3 LEU A 38 0.905 -6.607 15.247 1.00 52.30 H new ATOM 0 HG LEU A 38 2.990 -5.708 14.311 1.00 2.33 H new ATOM 0 HD11 LEU A 38 2.960 -3.852 12.690 1.00 52.54 H new ATOM 0 HD12 LEU A 38 2.302 -5.355 12.000 1.00 52.54 H new ATOM 0 HD13 LEU A 38 1.202 -4.050 12.506 1.00 52.54 H new ATOM 0 HD21 LEU A 38 2.737 -3.369 15.092 1.00 13.20 H new ATOM 0 HD22 LEU A 38 0.968 -3.553 15.040 1.00 13.20 H new ATOM 0 HD23 LEU A 38 1.931 -4.524 16.180 1.00 13.20 H new ATOM 594 N GLU A 39 -0.903 -8.938 13.564 1.00 12.45 N ATOM 595 CA GLU A 39 -1.504 -10.204 14.007 1.00 21.41 C ATOM 596 C GLU A 39 -0.886 -11.398 13.266 1.00 42.13 C ATOM 597 O GLU A 39 -0.610 -12.441 13.865 1.00 34.43 O ATOM 598 CB GLU A 39 -3.024 -10.205 13.783 1.00 51.24 C ATOM 599 CG GLU A 39 -3.788 -9.196 14.629 1.00 72.15 C ATOM 600 CD GLU A 39 -5.290 -9.297 14.421 1.00 64.11 C ATOM 601 OE1 GLU A 39 -5.964 -9.979 15.224 1.00 2.31 O ATOM 602 OE2 GLU A 39 -5.799 -8.721 13.439 1.00 15.22 O1- ATOM 0 H GLU A 39 -1.531 -8.331 13.037 1.00 12.45 H new ATOM 0 HA GLU A 39 -1.300 -10.299 15.074 1.00 21.41 H new ATOM 0 HB2 GLU A 39 -3.223 -10.003 12.731 1.00 51.24 H new ATOM 0 HB3 GLU A 39 -3.409 -11.203 13.994 1.00 51.24 H new ATOM 0 HG2 GLU A 39 -3.557 -9.357 15.682 1.00 72.15 H new ATOM 0 HG3 GLU A 39 -3.455 -8.188 14.380 1.00 72.15 H new ATOM 609 N LYS A 40 -0.673 -11.238 11.959 1.00 63.02 N ATOM 610 CA LYS A 40 -0.077 -12.297 11.136 1.00 31.51 C ATOM 611 C LYS A 40 1.458 -12.267 11.202 1.00 53.42 C ATOM 612 O LYS A 40 2.122 -13.269 10.926 1.00 11.20 O ATOM 613 CB LYS A 40 -0.527 -12.142 9.676 1.00 4.33 C ATOM 614 CG LYS A 40 -2.039 -12.203 9.479 1.00 12.30 C ATOM 615 CD LYS A 40 -2.431 -11.998 8.015 1.00 71.52 C ATOM 616 CE LYS A 40 -1.846 -13.078 7.110 1.00 3.13 C ATOM 617 NZ LYS A 40 -2.256 -12.900 5.692 1.00 45.34 N1+ ATOM 0 H LYS A 40 -0.903 -10.387 11.446 1.00 63.02 H new ATOM 0 HA LYS A 40 -0.418 -13.254 11.531 1.00 31.51 H new ATOM 0 HB2 LYS A 40 -0.160 -11.190 9.293 1.00 4.33 H new ATOM 0 HB3 LYS A 40 -0.062 -12.926 9.079 1.00 4.33 H new ATOM 0 HG2 LYS A 40 -2.411 -13.168 9.823 1.00 12.30 H new ATOM 0 HG3 LYS A 40 -2.516 -11.440 10.093 1.00 12.30 H new ATOM 0 HD2 LYS A 40 -3.517 -12.001 7.927 1.00 71.52 H new ATOM 0 HD3 LYS A 40 -2.086 -11.019 7.681 1.00 71.52 H new ATOM 0 HE2 LYS A 40 -0.758 -13.058 7.178 1.00 3.13 H new ATOM 0 HE3 LYS A 40 -2.169 -14.058 7.460 1.00 3.13 H new ATOM 0 HZ1 LYS A 40 -1.837 -13.655 5.112 1.00 45.34 H new ATOM 0 HZ2 LYS A 40 -3.293 -12.945 5.622 1.00 45.34 H new ATOM 0 HZ3 LYS A 40 -1.926 -11.976 5.349 1.00 45.34 H new ATOM 631 N TYR A 41 2.010 -11.113 11.570 1.00 44.53 N ATOM 632 CA TYR A 41 3.463 -10.931 11.687 1.00 41.15 C ATOM 633 C TYR A 41 3.803 -10.122 12.952 1.00 12.21 C ATOM 634 O TYR A 41 4.047 -8.914 12.878 1.00 1.40 O ATOM 635 CB TYR A 41 4.021 -10.215 10.442 1.00 55.12 C ATOM 636 CG TYR A 41 3.618 -10.864 9.128 1.00 1.41 C ATOM 637 CD1 TYR A 41 4.346 -11.923 8.597 1.00 71.44 C ATOM 638 CD2 TYR A 41 2.499 -10.421 8.426 1.00 24.43 C ATOM 639 CE1 TYR A 41 3.966 -12.525 7.412 1.00 34.41 C ATOM 640 CE2 TYR A 41 2.117 -11.017 7.241 1.00 21.42 C ATOM 641 CZ TYR A 41 2.852 -12.067 6.738 1.00 44.10 C ATOM 642 OH TYR A 41 2.461 -12.672 5.564 1.00 1.21 O ATOM 0 H TYR A 41 1.469 -10.278 11.796 1.00 44.53 H new ATOM 0 HA TYR A 41 3.925 -11.916 11.762 1.00 41.15 H new ATOM 0 HB2 TYR A 41 3.678 -9.180 10.445 1.00 55.12 H new ATOM 0 HB3 TYR A 41 5.109 -10.191 10.506 1.00 55.12 H new ATOM 0 HD1 TYR A 41 5.222 -12.281 9.118 1.00 71.44 H new ATOM 0 HD2 TYR A 41 1.920 -9.597 8.816 1.00 24.43 H new ATOM 0 HE1 TYR A 41 4.538 -13.350 7.015 1.00 34.41 H new ATOM 0 HE2 TYR A 41 1.246 -10.661 6.711 1.00 21.42 H new ATOM 0 HH TYR A 41 1.658 -12.229 5.219 1.00 1.21 H new ATOM 652 N PRO A 42 3.799 -10.763 14.137 1.00 42.14 N ATOM 653 CA PRO A 42 4.031 -10.064 15.407 1.00 70.53 C ATOM 654 C PRO A 42 5.503 -9.679 15.618 1.00 13.34 C ATOM 655 O PRO A 42 6.409 -10.506 15.468 1.00 75.41 O ATOM 656 CB PRO A 42 3.572 -11.072 16.482 1.00 3.32 C ATOM 657 CG PRO A 42 2.983 -12.235 15.736 1.00 41.44 C ATOM 658 CD PRO A 42 3.565 -12.197 14.347 1.00 12.42 C ATOM 0 HA PRO A 42 3.490 -9.118 15.441 1.00 70.53 H new ATOM 0 HB2 PRO A 42 4.410 -11.390 17.101 1.00 3.32 H new ATOM 0 HB3 PRO A 42 2.836 -10.623 17.149 1.00 3.32 H new ATOM 0 HG2 PRO A 42 3.225 -13.175 16.231 1.00 41.44 H new ATOM 0 HG3 PRO A 42 1.896 -12.163 15.702 1.00 41.44 H new ATOM 0 HD2 PRO A 42 4.488 -12.773 14.278 1.00 12.42 H new ATOM 0 HD3 PRO A 42 2.877 -12.608 13.608 1.00 12.42 H new ATOM 666 N ILE A 43 5.727 -8.421 15.985 1.00 51.21 N ATOM 667 CA ILE A 43 7.075 -7.904 16.226 1.00 43.40 C ATOM 668 C ILE A 43 7.785 -8.676 17.352 1.00 33.33 C ATOM 669 O ILE A 43 7.252 -8.827 18.450 1.00 51.54 O ATOM 670 CB ILE A 43 7.021 -6.394 16.565 1.00 52.34 C ATOM 671 CG1 ILE A 43 6.408 -5.615 15.386 1.00 30.24 C ATOM 672 CG2 ILE A 43 8.407 -5.855 16.916 1.00 14.24 C ATOM 673 CD1 ILE A 43 6.237 -4.134 15.645 1.00 45.45 C ATOM 0 H ILE A 43 4.987 -7.733 16.124 1.00 51.21 H new ATOM 0 HA ILE A 43 7.651 -8.044 15.311 1.00 43.40 H new ATOM 0 HB ILE A 43 6.389 -6.258 17.442 1.00 52.34 H new ATOM 0 HG12 ILE A 43 7.041 -5.749 14.508 1.00 30.24 H new ATOM 0 HG13 ILE A 43 5.436 -6.046 15.147 1.00 30.24 H new ATOM 0 HG21 ILE A 43 8.336 -4.793 17.149 1.00 14.24 H new ATOM 0 HG22 ILE A 43 8.797 -6.391 17.781 1.00 14.24 H new ATOM 0 HG23 ILE A 43 9.078 -5.996 16.069 1.00 14.24 H new ATOM 0 HD11 ILE A 43 5.800 -3.659 14.767 1.00 45.45 H new ATOM 0 HD12 ILE A 43 5.579 -3.988 16.502 1.00 45.45 H new ATOM 0 HD13 ILE A 43 7.209 -3.687 15.854 1.00 45.45 H new ATOM 685 N THR A 44 8.987 -9.169 17.061 1.00 13.42 N ATOM 686 CA THR A 44 9.737 -10.009 18.003 1.00 71.52 C ATOM 687 C THR A 44 10.302 -9.194 19.185 1.00 2.42 C ATOM 688 O THR A 44 10.459 -7.975 19.099 1.00 13.03 O ATOM 689 CB THR A 44 10.887 -10.751 17.271 1.00 22.30 C ATOM 690 OG1 THR A 44 10.359 -11.462 16.138 1.00 40.53 O ATOM 691 CG2 THR A 44 11.597 -11.740 18.192 1.00 31.42 C ATOM 0 H THR A 44 9.468 -9.002 16.177 1.00 13.42 H new ATOM 0 HA THR A 44 9.037 -10.739 18.410 1.00 71.52 H new ATOM 0 HB THR A 44 11.611 -10.003 16.948 1.00 22.30 H new ATOM 0 HG1 THR A 44 11.087 -11.928 15.676 1.00 40.53 H new ATOM 0 HG21 THR A 44 12.395 -12.239 17.643 1.00 31.42 H new ATOM 0 HG22 THR A 44 12.020 -11.206 19.042 1.00 31.42 H new ATOM 0 HG23 THR A 44 10.883 -12.482 18.549 1.00 31.42 H new ATOM 699 N LYS A 45 10.631 -9.892 20.273 1.00 63.13 N ATOM 700 CA LYS A 45 11.067 -9.261 21.527 1.00 22.25 C ATOM 701 C LYS A 45 12.265 -8.317 21.306 1.00 35.15 C ATOM 702 O LYS A 45 12.315 -7.219 21.859 1.00 15.02 O ATOM 703 CB LYS A 45 11.449 -10.334 22.570 1.00 43.14 C ATOM 704 CG LYS A 45 10.374 -11.395 22.847 1.00 24.45 C ATOM 705 CD LYS A 45 10.367 -12.505 21.792 1.00 10.02 C ATOM 706 CE LYS A 45 9.385 -13.620 22.134 1.00 74.15 C ATOM 707 NZ LYS A 45 7.977 -13.150 22.126 1.00 1.13 N1+ ATOM 0 H LYS A 45 10.604 -10.911 20.313 1.00 63.13 H new ATOM 0 HA LYS A 45 10.228 -8.672 21.897 1.00 22.25 H new ATOM 0 HB2 LYS A 45 12.355 -10.838 22.233 1.00 43.14 H new ATOM 0 HB3 LYS A 45 11.693 -9.835 23.508 1.00 43.14 H new ATOM 0 HG2 LYS A 45 10.544 -11.833 23.831 1.00 24.45 H new ATOM 0 HG3 LYS A 45 9.394 -10.918 22.875 1.00 24.45 H new ATOM 0 HD2 LYS A 45 10.108 -12.080 20.822 1.00 10.02 H new ATOM 0 HD3 LYS A 45 11.370 -12.922 21.700 1.00 10.02 H new ATOM 0 HE2 LYS A 45 9.498 -14.434 21.418 1.00 74.15 H new ATOM 0 HE3 LYS A 45 9.625 -14.025 23.117 1.00 74.15 H new ATOM 0 HZ1 LYS A 45 7.337 -13.970 22.110 1.00 1.13 H new ATOM 0 HZ2 LYS A 45 7.795 -12.586 22.980 1.00 1.13 H new ATOM 0 HZ3 LYS A 45 7.811 -12.565 21.282 1.00 1.13 H new ATOM 721 N GLU A 46 13.207 -8.738 20.464 1.00 71.24 N ATOM 722 CA GLU A 46 14.427 -7.960 20.196 1.00 52.10 C ATOM 723 C GLU A 46 14.106 -6.533 19.719 1.00 40.01 C ATOM 724 O GLU A 46 14.663 -5.550 20.218 1.00 73.43 O ATOM 725 CB GLU A 46 15.258 -8.672 19.118 1.00 65.10 C ATOM 726 CG GLU A 46 16.548 -7.948 18.735 1.00 13.55 C ATOM 727 CD GLU A 46 17.634 -8.059 19.793 1.00 41.21 C ATOM 728 OE1 GLU A 46 17.590 -7.311 20.791 1.00 74.34 O ATOM 729 OE2 GLU A 46 18.544 -8.899 19.625 1.00 1.34 O1- ATOM 0 H GLU A 46 13.153 -9.618 19.951 1.00 71.24 H new ATOM 0 HA GLU A 46 14.986 -7.887 21.129 1.00 52.10 H new ATOM 0 HB2 GLU A 46 15.508 -9.672 19.471 1.00 65.10 H new ATOM 0 HB3 GLU A 46 14.645 -8.793 18.225 1.00 65.10 H new ATOM 0 HG2 GLU A 46 16.921 -8.357 17.796 1.00 13.55 H new ATOM 0 HG3 GLU A 46 16.328 -6.895 18.559 1.00 13.55 H new ATOM 736 N ALA A 47 13.189 -6.435 18.769 1.00 2.42 N ATOM 737 CA ALA A 47 12.833 -5.162 18.144 1.00 14.53 C ATOM 738 C ALA A 47 12.197 -4.163 19.127 1.00 60.34 C ATOM 739 O ALA A 47 12.372 -2.954 18.979 1.00 3.52 O ATOM 740 CB ALA A 47 11.898 -5.411 16.972 1.00 64.00 C ATOM 0 H ALA A 47 12.668 -7.234 18.407 1.00 2.42 H new ATOM 0 HA ALA A 47 13.760 -4.707 17.796 1.00 14.53 H new ATOM 0 HB1 ALA A 47 11.635 -4.460 16.508 1.00 64.00 H new ATOM 0 HB2 ALA A 47 12.395 -6.047 16.239 1.00 64.00 H new ATOM 0 HB3 ALA A 47 10.993 -5.905 17.327 1.00 64.00 H new ATOM 746 N LEU A 48 11.468 -4.665 20.124 1.00 13.33 N ATOM 747 CA LEU A 48 10.616 -3.811 20.970 1.00 54.25 C ATOM 748 C LEU A 48 11.399 -2.672 21.662 1.00 22.02 C ATOM 749 O LEU A 48 10.962 -1.518 21.646 1.00 0.35 O ATOM 750 CB LEU A 48 9.922 -4.672 22.036 1.00 23.11 C ATOM 751 CG LEU A 48 8.921 -3.928 22.936 1.00 11.11 C ATOM 752 CD1 LEU A 48 7.720 -3.445 22.129 1.00 71.40 C ATOM 753 CD2 LEU A 48 8.470 -4.814 24.094 1.00 72.14 C ATOM 0 H LEU A 48 11.446 -5.655 20.370 1.00 13.33 H new ATOM 0 HA LEU A 48 9.883 -3.344 20.313 1.00 54.25 H new ATOM 0 HB2 LEU A 48 9.399 -5.487 21.536 1.00 23.11 H new ATOM 0 HB3 LEU A 48 10.687 -5.124 22.668 1.00 23.11 H new ATOM 0 HG LEU A 48 9.425 -3.055 23.351 1.00 11.11 H new ATOM 0 HD11 LEU A 48 7.026 -2.922 22.787 1.00 71.40 H new ATOM 0 HD12 LEU A 48 8.057 -2.767 21.345 1.00 71.40 H new ATOM 0 HD13 LEU A 48 7.217 -4.300 21.678 1.00 71.40 H new ATOM 0 HD21 LEU A 48 7.763 -4.267 24.717 1.00 72.14 H new ATOM 0 HD22 LEU A 48 7.990 -5.710 23.701 1.00 72.14 H new ATOM 0 HD23 LEU A 48 9.335 -5.099 24.692 1.00 72.14 H new ATOM 765 N GLU A 49 12.552 -2.986 22.253 1.00 64.25 N ATOM 766 CA GLU A 49 13.394 -1.958 22.892 1.00 13.34 C ATOM 767 C GLU A 49 14.069 -1.043 21.859 1.00 30.33 C ATOM 768 O GLU A 49 14.043 0.182 21.988 1.00 34.22 O ATOM 769 CB GLU A 49 14.458 -2.611 23.790 1.00 14.02 C ATOM 770 CG GLU A 49 13.960 -2.958 25.191 1.00 75.24 C ATOM 771 CD GLU A 49 13.705 -1.722 26.044 1.00 31.35 C ATOM 772 OE1 GLU A 49 12.540 -1.281 26.148 1.00 74.15 O ATOM 773 OE2 GLU A 49 14.680 -1.181 26.611 1.00 35.23 O1- ATOM 0 H GLU A 49 12.927 -3.933 22.306 1.00 64.25 H new ATOM 0 HA GLU A 49 12.737 -1.341 23.504 1.00 13.34 H new ATOM 0 HB2 GLU A 49 14.817 -3.520 23.308 1.00 14.02 H new ATOM 0 HB3 GLU A 49 15.310 -1.937 23.875 1.00 14.02 H new ATOM 0 HG2 GLU A 49 13.040 -3.537 25.113 1.00 75.24 H new ATOM 0 HG3 GLU A 49 14.695 -3.592 25.687 1.00 75.24 H new ATOM 780 N GLU A 50 14.653 -1.645 20.825 1.00 73.22 N ATOM 781 CA GLU A 50 15.375 -0.893 19.789 1.00 13.52 C ATOM 782 C GLU A 50 14.460 0.127 19.089 1.00 32.13 C ATOM 783 O GLU A 50 14.871 1.248 18.787 1.00 43.44 O ATOM 784 CB GLU A 50 15.968 -1.864 18.757 1.00 13.13 C ATOM 785 CG GLU A 50 16.831 -1.189 17.694 1.00 35.43 C ATOM 786 CD GLU A 50 17.511 -2.185 16.768 1.00 44.21 C ATOM 787 OE1 GLU A 50 17.137 -2.263 15.579 1.00 3.20 O ATOM 788 OE2 GLU A 50 18.427 -2.900 17.234 1.00 0.31 O1- ATOM 0 H GLU A 50 14.643 -2.654 20.678 1.00 73.22 H new ATOM 0 HA GLU A 50 16.180 -0.340 20.274 1.00 13.52 H new ATOM 0 HB2 GLU A 50 16.568 -2.610 19.278 1.00 13.13 H new ATOM 0 HB3 GLU A 50 15.154 -2.397 18.265 1.00 13.13 H new ATOM 0 HG2 GLU A 50 16.211 -0.515 17.103 1.00 35.43 H new ATOM 0 HG3 GLU A 50 17.590 -0.578 18.183 1.00 35.43 H new ATOM 795 N THR A 51 13.215 -0.270 18.847 1.00 12.54 N ATOM 796 CA THR A 51 12.239 0.590 18.162 1.00 13.33 C ATOM 797 C THR A 51 11.423 1.436 19.151 1.00 35.44 C ATOM 798 O THR A 51 10.661 2.312 18.737 1.00 62.01 O ATOM 799 CB THR A 51 11.259 -0.249 17.313 1.00 43.13 C ATOM 800 OG1 THR A 51 10.516 -1.137 18.161 1.00 50.30 O ATOM 801 CG2 THR A 51 12.003 -1.059 16.255 1.00 55.42 C ATOM 0 H THR A 51 12.851 -1.185 19.114 1.00 12.54 H new ATOM 0 HA THR A 51 12.816 1.254 17.518 1.00 13.33 H new ATOM 0 HB THR A 51 10.577 0.435 16.808 1.00 43.13 H new ATOM 0 HG1 THR A 51 11.123 -1.797 18.556 1.00 50.30 H new ATOM 0 HG21 THR A 51 11.288 -1.640 15.672 1.00 55.42 H new ATOM 0 HG22 THR A 51 12.546 -0.383 15.594 1.00 55.42 H new ATOM 0 HG23 THR A 51 12.707 -1.733 16.742 1.00 55.42 H new ATOM 809 N ARG A 52 11.587 1.166 20.452 1.00 41.45 N ATOM 810 CA ARG A 52 10.854 1.882 21.516 1.00 71.43 C ATOM 811 C ARG A 52 9.327 1.754 21.350 1.00 32.22 C ATOM 812 O ARG A 52 8.560 2.591 21.835 1.00 4.14 O ATOM 813 CB ARG A 52 11.264 3.364 21.540 1.00 21.22 C ATOM 814 CG ARG A 52 12.747 3.593 21.823 1.00 73.13 C ATOM 815 CD ARG A 52 13.154 3.106 23.213 1.00 21.13 C ATOM 816 NE ARG A 52 14.572 3.349 23.480 1.00 62.43 N ATOM 817 CZ ARG A 52 15.028 3.952 24.545 1.00 32.24 C ATOM 818 NH1 ARG A 52 14.217 4.361 25.470 1.00 73.21 N1+ ATOM 819 NH2 ARG A 52 16.301 4.141 24.686 1.00 4.01 N ATOM 0 H ARG A 52 12.226 0.451 20.800 1.00 41.45 H new ATOM 0 HA ARG A 52 11.121 1.419 22.466 1.00 71.43 H new ATOM 0 HB2 ARG A 52 11.014 3.815 20.580 1.00 21.22 H new ATOM 0 HB3 ARG A 52 10.676 3.881 22.298 1.00 21.22 H new ATOM 0 HG2 ARG A 52 13.342 3.076 21.071 1.00 73.13 H new ATOM 0 HG3 ARG A 52 12.972 4.656 21.732 1.00 73.13 H new ATOM 0 HD2 ARG A 52 12.550 3.612 23.967 1.00 21.13 H new ATOM 0 HD3 ARG A 52 12.945 2.040 23.300 1.00 21.13 H new ATOM 0 HE ARG A 52 15.249 3.026 22.789 1.00 62.43 H new ATOM 0 HH11 ARG A 52 13.213 4.213 25.370 1.00 73.21 H new ATOM 0 HH12 ARG A 52 14.583 4.831 26.298 1.00 73.21 H new ATOM 0 HH21 ARG A 52 16.947 3.819 23.966 1.00 4.01 H new ATOM 0 HH22 ARG A 52 16.658 4.612 25.518 1.00 4.01 H new ATOM 833 N LEU A 53 8.894 0.674 20.705 1.00 21.34 N ATOM 834 CA LEU A 53 7.470 0.436 20.440 1.00 1.25 C ATOM 835 C LEU A 53 6.693 0.013 21.697 1.00 20.10 C ATOM 836 O LEU A 53 5.485 -0.201 21.640 1.00 54.35 O ATOM 837 CB LEU A 53 7.289 -0.591 19.315 1.00 31.54 C ATOM 838 CG LEU A 53 7.658 -0.078 17.910 1.00 23.11 C ATOM 839 CD1 LEU A 53 7.463 -1.167 16.862 1.00 44.44 C ATOM 840 CD2 LEU A 53 6.845 1.166 17.554 1.00 33.51 C ATOM 0 H LEU A 53 9.511 -0.058 20.352 1.00 21.34 H new ATOM 0 HA LEU A 53 7.048 1.388 20.118 1.00 1.25 H new ATOM 0 HB2 LEU A 53 7.899 -1.466 19.539 1.00 31.54 H new ATOM 0 HB3 LEU A 53 6.250 -0.920 19.306 1.00 31.54 H new ATOM 0 HG LEU A 53 8.713 0.196 17.920 1.00 23.11 H new ATOM 0 HD11 LEU A 53 7.731 -0.778 15.879 1.00 44.44 H new ATOM 0 HD12 LEU A 53 8.099 -2.020 17.101 1.00 44.44 H new ATOM 0 HD13 LEU A 53 6.420 -1.483 16.855 1.00 44.44 H new ATOM 0 HD21 LEU A 53 7.123 1.510 16.558 1.00 33.51 H new ATOM 0 HD22 LEU A 53 5.782 0.923 17.571 1.00 33.51 H new ATOM 0 HD23 LEU A 53 7.049 1.954 18.279 1.00 33.51 H new ATOM 852 N GLY A 54 7.380 -0.116 22.827 1.00 15.23 N ATOM 853 CA GLY A 54 6.702 -0.464 24.073 1.00 3.21 C ATOM 854 C GLY A 54 5.593 0.524 24.435 1.00 73.12 C ATOM 855 O GLY A 54 4.580 0.143 25.023 1.00 11.34 O ATOM 0 H GLY A 54 8.389 0.012 22.908 1.00 15.23 H new ATOM 0 HA2 GLY A 54 6.278 -1.464 23.984 1.00 3.21 H new ATOM 0 HA3 GLY A 54 7.432 -0.498 24.882 1.00 3.21 H new ATOM 859 N LYS A 55 5.780 1.797 24.079 1.00 54.31 N ATOM 860 CA LYS A 55 4.734 2.814 24.256 1.00 12.41 C ATOM 861 C LYS A 55 3.501 2.498 23.384 1.00 1.14 C ATOM 862 O LYS A 55 2.363 2.768 23.775 1.00 22.32 O ATOM 863 CB LYS A 55 5.277 4.213 23.920 1.00 14.11 C ATOM 864 CG LYS A 55 4.283 5.345 24.186 1.00 11.41 C ATOM 865 CD LYS A 55 3.952 5.478 25.675 1.00 45.11 C ATOM 866 CE LYS A 55 2.908 6.562 25.933 1.00 52.22 C ATOM 867 NZ LYS A 55 2.650 6.760 27.386 1.00 34.25 N1+ ATOM 0 H LYS A 55 6.644 2.150 23.667 1.00 54.31 H new ATOM 0 HA LYS A 55 4.427 2.799 25.302 1.00 12.41 H new ATOM 0 HB2 LYS A 55 6.180 4.391 24.504 1.00 14.11 H new ATOM 0 HB3 LYS A 55 5.567 4.237 22.869 1.00 14.11 H new ATOM 0 HG2 LYS A 55 4.697 6.285 23.821 1.00 11.41 H new ATOM 0 HG3 LYS A 55 3.366 5.162 23.626 1.00 11.41 H new ATOM 0 HD2 LYS A 55 3.584 4.523 26.052 1.00 45.11 H new ATOM 0 HD3 LYS A 55 4.861 5.711 26.229 1.00 45.11 H new ATOM 0 HE2 LYS A 55 3.246 7.501 25.494 1.00 52.22 H new ATOM 0 HE3 LYS A 55 1.977 6.294 25.434 1.00 52.22 H new ATOM 0 HZ1 LYS A 55 1.935 7.505 27.513 1.00 34.25 H new ATOM 0 HZ2 LYS A 55 2.303 5.872 27.801 1.00 34.25 H new ATOM 0 HZ3 LYS A 55 3.532 7.042 27.860 1.00 34.25 H new ATOM 881 N LEU A 56 3.742 1.916 22.203 1.00 25.12 N ATOM 882 CA LEU A 56 2.661 1.495 21.293 1.00 31.00 C ATOM 883 C LEU A 56 1.703 0.538 22.017 1.00 23.44 C ATOM 884 O LEU A 56 0.486 0.630 21.863 1.00 61.11 O ATOM 885 CB LEU A 56 3.270 0.823 20.035 1.00 20.15 C ATOM 886 CG LEU A 56 2.294 0.369 18.919 1.00 3.40 C ATOM 887 CD1 LEU A 56 3.053 0.148 17.610 1.00 51.34 C ATOM 888 CD2 LEU A 56 1.551 -0.918 19.300 1.00 51.12 C ATOM 0 H LEU A 56 4.680 1.724 21.851 1.00 25.12 H new ATOM 0 HA LEU A 56 2.092 2.370 20.978 1.00 31.00 H new ATOM 0 HB2 LEU A 56 3.983 1.520 19.594 1.00 20.15 H new ATOM 0 HB3 LEU A 56 3.836 -0.049 20.361 1.00 20.15 H new ATOM 0 HG LEU A 56 1.557 1.162 18.790 1.00 3.40 H new ATOM 0 HD11 LEU A 56 2.356 -0.171 16.835 1.00 51.34 H new ATOM 0 HD12 LEU A 56 3.533 1.078 17.306 1.00 51.34 H new ATOM 0 HD13 LEU A 56 3.811 -0.621 17.755 1.00 51.34 H new ATOM 0 HD21 LEU A 56 0.877 -1.202 18.492 1.00 51.12 H new ATOM 0 HD22 LEU A 56 2.272 -1.718 19.470 1.00 51.12 H new ATOM 0 HD23 LEU A 56 0.975 -0.750 20.210 1.00 51.12 H new ATOM 900 N ILE A 57 2.267 -0.350 22.839 1.00 11.45 N ATOM 901 CA ILE A 57 1.478 -1.325 23.603 1.00 72.04 C ATOM 902 C ILE A 57 0.448 -0.621 24.499 1.00 33.21 C ATOM 903 O ILE A 57 -0.690 -1.077 24.643 1.00 55.33 O ATOM 904 CB ILE A 57 2.407 -2.204 24.488 1.00 4.33 C ATOM 905 CG1 ILE A 57 3.386 -3.005 23.611 1.00 61.22 C ATOM 906 CG2 ILE A 57 1.594 -3.137 25.387 1.00 35.41 C ATOM 907 CD1 ILE A 57 4.358 -3.864 24.399 1.00 24.31 C ATOM 0 H ILE A 57 3.273 -0.415 22.994 1.00 11.45 H new ATOM 0 HA ILE A 57 0.952 -1.956 22.887 1.00 72.04 H new ATOM 0 HB ILE A 57 2.984 -1.542 25.133 1.00 4.33 H new ATOM 0 HG12 ILE A 57 2.815 -3.644 22.938 1.00 61.22 H new ATOM 0 HG13 ILE A 57 3.952 -2.311 22.989 1.00 61.22 H new ATOM 0 HG21 ILE A 57 2.271 -3.739 25.994 1.00 35.41 H new ATOM 0 HG22 ILE A 57 0.951 -2.545 26.039 1.00 35.41 H new ATOM 0 HG23 ILE A 57 0.980 -3.793 24.770 1.00 35.41 H new ATOM 0 HD11 ILE A 57 5.014 -4.397 23.710 1.00 24.31 H new ATOM 0 HD12 ILE A 57 4.957 -3.230 25.053 1.00 24.31 H new ATOM 0 HD13 ILE A 57 3.803 -4.583 25.001 1.00 24.31 H new ATOM 919 N ASN A 58 0.854 0.504 25.078 1.00 74.41 N ATOM 920 CA ASN A 58 -0.014 1.280 25.967 1.00 1.34 C ATOM 921 C ASN A 58 -1.145 1.966 25.202 1.00 44.30 C ATOM 922 O ASN A 58 -2.319 1.860 25.569 1.00 34.35 O ATOM 923 CB ASN A 58 0.811 2.352 26.683 1.00 70.35 C ATOM 924 CG ASN A 58 2.015 1.777 27.389 1.00 71.50 C ATOM 925 OD1 ASN A 58 3.074 2.392 27.441 1.00 40.22 O ATOM 926 ND2 ASN A 58 1.866 0.597 27.946 1.00 65.11 N ATOM 0 H ASN A 58 1.784 0.903 24.949 1.00 74.41 H new ATOM 0 HA ASN A 58 -0.453 0.586 26.684 1.00 1.34 H new ATOM 0 HB2 ASN A 58 1.140 3.097 25.959 1.00 70.35 H new ATOM 0 HB3 ASN A 58 0.181 2.868 27.407 1.00 70.35 H new ATOM 0 HD21 ASN A 58 2.646 0.165 28.441 1.00 65.11 H new ATOM 0 HD22 ASN A 58 0.970 0.113 27.883 1.00 65.11 H new ATOM 933 N ASP A 59 -0.780 2.677 24.139 1.00 35.25 N ATOM 934 CA ASP A 59 -1.728 3.524 23.427 1.00 21.02 C ATOM 935 C ASP A 59 -2.742 2.704 22.600 1.00 1.41 C ATOM 936 O ASP A 59 -3.945 2.979 22.632 1.00 70.12 O ATOM 937 CB ASP A 59 -0.976 4.521 22.536 1.00 45.50 C ATOM 938 CG ASP A 59 -1.836 5.714 22.147 1.00 55.21 C ATOM 939 OD1 ASP A 59 -2.096 6.566 23.027 1.00 42.43 O ATOM 940 OD2 ASP A 59 -2.234 5.817 20.971 1.00 70.42 O1- ATOM 0 H ASP A 59 0.164 2.683 23.753 1.00 35.25 H new ATOM 0 HA ASP A 59 -2.303 4.073 24.173 1.00 21.02 H new ATOM 0 HB2 ASP A 59 -0.087 4.873 23.059 1.00 45.50 H new ATOM 0 HB3 ASP A 59 -0.635 4.013 21.634 1.00 45.50 H new ATOM 945 N VAL A 60 -2.262 1.676 21.888 1.00 74.51 N ATOM 946 CA VAL A 60 -3.141 0.846 21.042 1.00 32.32 C ATOM 947 C VAL A 60 -4.204 0.129 21.887 1.00 41.11 C ATOM 948 O VAL A 60 -5.337 -0.073 21.451 1.00 2.24 O ATOM 949 CB VAL A 60 -2.341 -0.205 20.218 1.00 43.41 C ATOM 950 CG1 VAL A 60 -1.742 -1.284 21.120 1.00 42.24 C ATOM 951 CG2 VAL A 60 -3.220 -0.826 19.132 1.00 44.24 C ATOM 0 H VAL A 60 -1.281 1.398 21.878 1.00 74.51 H new ATOM 0 HA VAL A 60 -3.631 1.526 20.345 1.00 32.32 H new ATOM 0 HB VAL A 60 -1.514 0.313 19.733 1.00 43.41 H new ATOM 0 HG11 VAL A 60 -1.190 -2.001 20.512 1.00 42.24 H new ATOM 0 HG12 VAL A 60 -1.066 -0.822 21.840 1.00 42.24 H new ATOM 0 HG13 VAL A 60 -2.542 -1.799 21.652 1.00 42.24 H new ATOM 0 HG21 VAL A 60 -2.640 -1.557 18.569 1.00 44.24 H new ATOM 0 HG22 VAL A 60 -4.075 -1.319 19.594 1.00 44.24 H new ATOM 0 HG23 VAL A 60 -3.572 -0.045 18.458 1.00 44.24 H new ATOM 961 N ARG A 61 -3.828 -0.237 23.110 1.00 61.21 N ATOM 962 CA ARG A 61 -4.752 -0.862 24.059 1.00 35.25 C ATOM 963 C ARG A 61 -5.928 0.081 24.390 1.00 52.31 C ATOM 964 O ARG A 61 -7.021 -0.367 24.734 1.00 4.53 O ATOM 965 CB ARG A 61 -3.983 -1.244 25.333 1.00 21.51 C ATOM 966 CG ARG A 61 -4.825 -1.920 26.414 1.00 44.21 C ATOM 967 CD ARG A 61 -3.990 -2.229 27.655 1.00 22.33 C ATOM 968 NE ARG A 61 -4.806 -2.681 28.781 1.00 22.14 N ATOM 969 CZ ARG A 61 -4.449 -2.569 30.034 1.00 23.11 C ATOM 970 NH1 ARG A 61 -3.305 -2.051 30.352 1.00 41.22 N1+ ATOM 971 NH2 ARG A 61 -5.244 -2.976 30.968 1.00 34.42 N ATOM 0 H ARG A 61 -2.882 -0.111 23.471 1.00 61.21 H new ATOM 0 HA ARG A 61 -5.173 -1.761 23.608 1.00 35.25 H new ATOM 0 HB2 ARG A 61 -3.165 -1.911 25.060 1.00 21.51 H new ATOM 0 HB3 ARG A 61 -3.534 -0.344 25.753 1.00 21.51 H new ATOM 0 HG2 ARG A 61 -5.659 -1.273 26.686 1.00 44.21 H new ATOM 0 HG3 ARG A 61 -5.252 -2.843 26.021 1.00 44.21 H new ATOM 0 HD2 ARG A 61 -3.255 -2.996 27.412 1.00 22.33 H new ATOM 0 HD3 ARG A 61 -3.436 -1.337 27.947 1.00 22.33 H new ATOM 0 HE ARG A 61 -5.709 -3.110 28.577 1.00 22.14 H new ATOM 0 HH11 ARG A 61 -2.672 -1.725 29.622 1.00 41.22 H new ATOM 0 HH12 ARG A 61 -3.037 -1.969 31.333 1.00 41.22 H new ATOM 0 HH21 ARG A 61 -6.148 -3.383 30.727 1.00 34.42 H new ATOM 0 HH22 ARG A 61 -4.968 -2.890 31.946 1.00 34.42 H new ATOM 985 N LYS A 62 -5.684 1.389 24.298 1.00 24.21 N ATOM 986 CA LYS A 62 -6.725 2.402 24.528 1.00 64.02 C ATOM 987 C LYS A 62 -7.492 2.745 23.236 1.00 73.30 C ATOM 988 O LYS A 62 -8.699 2.997 23.259 1.00 63.04 O ATOM 989 CB LYS A 62 -6.080 3.678 25.088 1.00 4.13 C ATOM 990 CG LYS A 62 -5.396 3.482 26.437 1.00 42.11 C ATOM 991 CD LYS A 62 -4.615 4.721 26.869 1.00 12.31 C ATOM 992 CE LYS A 62 -5.498 5.961 26.938 1.00 21.45 C ATOM 993 NZ LYS A 62 -4.753 7.146 27.439 1.00 21.35 N1+ ATOM 0 H LYS A 62 -4.770 1.777 24.065 1.00 24.21 H new ATOM 0 HA LYS A 62 -7.438 1.989 25.241 1.00 64.02 H new ATOM 0 HB2 LYS A 62 -5.348 4.049 24.371 1.00 4.13 H new ATOM 0 HB3 LYS A 62 -6.846 4.447 25.188 1.00 4.13 H new ATOM 0 HG2 LYS A 62 -6.145 3.245 27.192 1.00 42.11 H new ATOM 0 HG3 LYS A 62 -4.720 2.629 26.380 1.00 42.11 H new ATOM 0 HD2 LYS A 62 -4.165 4.543 27.845 1.00 12.31 H new ATOM 0 HD3 LYS A 62 -3.799 4.897 26.169 1.00 12.31 H new ATOM 0 HE2 LYS A 62 -5.899 6.177 25.948 1.00 21.45 H new ATOM 0 HE3 LYS A 62 -6.349 5.765 27.590 1.00 21.45 H new ATOM 0 HZ1 LYS A 62 -5.389 7.968 27.471 1.00 21.35 H new ATOM 0 HZ2 LYS A 62 -4.392 6.951 28.394 1.00 21.35 H new ATOM 0 HZ3 LYS A 62 -3.956 7.350 26.803 1.00 21.35 H new ATOM 1007 N LYS A 63 -6.780 2.749 22.111 1.00 75.21 N ATOM 1008 CA LYS A 63 -7.336 3.199 20.825 1.00 41.31 C ATOM 1009 C LYS A 63 -7.646 2.046 19.858 1.00 45.01 C ATOM 1010 O LYS A 63 -7.830 2.267 18.660 1.00 74.14 O ATOM 1011 CB LYS A 63 -6.389 4.223 20.182 1.00 11.04 C ATOM 1012 CG LYS A 63 -6.464 5.597 20.844 1.00 43.23 C ATOM 1013 CD LYS A 63 -7.824 6.258 20.596 1.00 31.45 C ATOM 1014 CE LYS A 63 -8.059 7.460 21.502 1.00 54.32 C ATOM 1015 NZ LYS A 63 -8.261 7.056 22.918 1.00 5.34 N1+ ATOM 0 H LYS A 63 -5.808 2.444 22.059 1.00 75.21 H new ATOM 0 HA LYS A 63 -8.296 3.671 21.036 1.00 41.31 H new ATOM 0 HB2 LYS A 63 -5.366 3.852 20.241 1.00 11.04 H new ATOM 0 HB3 LYS A 63 -6.632 4.321 19.124 1.00 11.04 H new ATOM 0 HG2 LYS A 63 -6.296 5.497 21.916 1.00 43.23 H new ATOM 0 HG3 LYS A 63 -5.670 6.235 20.455 1.00 43.23 H new ATOM 0 HD2 LYS A 63 -7.887 6.574 19.555 1.00 31.45 H new ATOM 0 HD3 LYS A 63 -8.615 5.526 20.756 1.00 31.45 H new ATOM 0 HE2 LYS A 63 -7.207 8.137 21.436 1.00 54.32 H new ATOM 0 HE3 LYS A 63 -8.932 8.012 21.154 1.00 54.32 H new ATOM 0 HZ1 LYS A 63 -8.616 7.867 23.463 1.00 5.34 H new ATOM 0 HZ2 LYS A 63 -8.952 6.280 22.962 1.00 5.34 H new ATOM 0 HZ3 LYS A 63 -7.357 6.737 23.321 1.00 5.34 H new ATOM 1029 N THR A 64 -7.712 0.823 20.376 1.00 74.41 N ATOM 1030 CA THR A 64 -8.110 -0.333 19.560 1.00 52.50 C ATOM 1031 C THR A 64 -9.551 -0.187 19.051 1.00 73.43 C ATOM 1032 O THR A 64 -10.424 0.336 19.750 1.00 72.34 O ATOM 1033 CB THR A 64 -8.005 -1.664 20.342 1.00 51.52 C ATOM 1034 OG1 THR A 64 -8.512 -2.747 19.541 1.00 25.11 O ATOM 1035 CG2 THR A 64 -8.778 -1.592 21.656 1.00 63.23 C ATOM 0 H THR A 64 -7.498 0.602 21.348 1.00 74.41 H new ATOM 0 HA THR A 64 -7.417 -0.358 18.719 1.00 52.50 H new ATOM 0 HB THR A 64 -6.954 -1.840 20.570 1.00 51.52 H new ATOM 0 HG1 THR A 64 -9.304 -3.130 19.972 1.00 25.11 H new ATOM 0 HG21 THR A 64 -8.687 -2.541 22.184 1.00 63.23 H new ATOM 0 HG22 THR A 64 -8.371 -0.792 22.274 1.00 63.23 H new ATOM 0 HG23 THR A 64 -9.829 -1.392 21.449 1.00 63.23 H new ATOM 1043 N LYS A 65 -9.793 -0.662 17.831 1.00 24.24 N ATOM 1044 CA LYS A 65 -11.108 -0.540 17.192 1.00 51.23 C ATOM 1045 C LYS A 65 -12.192 -1.300 17.980 1.00 74.44 C ATOM 1046 O LYS A 65 -13.304 -0.803 18.159 1.00 25.11 O ATOM 1047 CB LYS A 65 -11.022 -1.044 15.737 1.00 55.41 C ATOM 1048 CG LYS A 65 -12.242 -0.719 14.862 1.00 74.32 C ATOM 1049 CD LYS A 65 -13.377 -1.736 15.010 1.00 30.01 C ATOM 1050 CE LYS A 65 -12.940 -3.140 14.599 1.00 25.40 C ATOM 1051 NZ LYS A 65 -14.083 -4.090 14.554 1.00 75.23 N1+ ATOM 0 H LYS A 65 -9.094 -1.138 17.260 1.00 24.24 H new ATOM 0 HA LYS A 65 -11.397 0.511 17.188 1.00 51.23 H new ATOM 0 HB2 LYS A 65 -10.135 -0.614 15.272 1.00 55.41 H new ATOM 0 HB3 LYS A 65 -10.882 -2.125 15.751 1.00 55.41 H new ATOM 0 HG2 LYS A 65 -12.614 0.272 15.122 1.00 74.32 H new ATOM 0 HG3 LYS A 65 -11.932 -0.679 13.818 1.00 74.32 H new ATOM 0 HD2 LYS A 65 -13.719 -1.751 16.045 1.00 30.01 H new ATOM 0 HD3 LYS A 65 -14.224 -1.426 14.399 1.00 30.01 H new ATOM 0 HE2 LYS A 65 -12.464 -3.099 13.619 1.00 25.40 H new ATOM 0 HE3 LYS A 65 -12.192 -3.507 15.302 1.00 25.40 H new ATOM 0 HZ1 LYS A 65 -13.742 -5.031 14.271 1.00 75.23 H new ATOM 0 HZ2 LYS A 65 -14.522 -4.150 15.495 1.00 75.23 H new ATOM 0 HZ3 LYS A 65 -14.786 -3.755 13.865 1.00 75.23 H new ATOM 1065 N ASN A 66 -11.867 -2.505 18.448 1.00 62.02 N ATOM 1066 CA ASN A 66 -12.817 -3.311 19.227 1.00 51.10 C ATOM 1067 C ASN A 66 -12.228 -3.722 20.587 1.00 52.41 C ATOM 1068 O ASN A 66 -11.096 -4.207 20.668 1.00 51.24 O ATOM 1069 CB ASN A 66 -13.244 -4.552 18.433 1.00 40.21 C ATOM 1070 CG ASN A 66 -14.240 -5.411 19.191 1.00 33.44 C ATOM 1071 OD1 ASN A 66 -14.970 -4.925 20.049 1.00 13.22 O ATOM 1072 ND2 ASN A 66 -14.285 -6.688 18.880 1.00 62.41 N ATOM 0 H ASN A 66 -10.959 -2.946 18.304 1.00 62.02 H new ATOM 0 HA ASN A 66 -13.695 -2.694 19.418 1.00 51.10 H new ATOM 0 HB2 ASN A 66 -13.684 -4.240 17.486 1.00 40.21 H new ATOM 0 HB3 ASN A 66 -12.363 -5.148 18.194 1.00 40.21 H new ATOM 0 HD21 ASN A 66 -14.941 -7.306 19.357 1.00 62.41 H new ATOM 0 HD22 ASN A 66 -13.664 -7.060 18.162 1.00 62.41 H new ATOM 1079 N GLU A 67 -13.013 -3.538 21.650 1.00 51.21 N ATOM 1080 CA GLU A 67 -12.581 -3.884 23.011 1.00 33.25 C ATOM 1081 C GLU A 67 -12.341 -5.397 23.163 1.00 12.22 C ATOM 1082 O GLU A 67 -11.476 -5.827 23.930 1.00 45.50 O ATOM 1083 CB GLU A 67 -13.616 -3.403 24.036 1.00 44.23 C ATOM 1084 CG GLU A 67 -13.924 -1.911 23.936 1.00 51.41 C ATOM 1085 CD GLU A 67 -14.843 -1.421 25.045 1.00 14.13 C ATOM 1086 OE1 GLU A 67 -16.010 -1.860 25.094 1.00 52.22 O ATOM 1087 OE2 GLU A 67 -14.405 -0.591 25.868 1.00 42.34 O1- ATOM 0 H GLU A 67 -13.955 -3.150 21.597 1.00 51.21 H new ATOM 0 HA GLU A 67 -11.633 -3.378 23.197 1.00 33.25 H new ATOM 0 HB2 GLU A 67 -14.539 -3.966 23.900 1.00 44.23 H new ATOM 0 HB3 GLU A 67 -13.252 -3.624 25.039 1.00 44.23 H new ATOM 0 HG2 GLU A 67 -12.990 -1.349 23.970 1.00 51.41 H new ATOM 0 HG3 GLU A 67 -14.386 -1.704 22.970 1.00 51.41 H new ATOM 1094 N GLU A 68 -13.118 -6.206 22.439 1.00 72.53 N ATOM 1095 CA GLU A 68 -12.902 -7.659 22.420 1.00 72.44 C ATOM 1096 C GLU A 68 -11.596 -8.003 21.693 1.00 33.24 C ATOM 1097 O GLU A 68 -10.853 -8.888 22.115 1.00 1.23 O ATOM 1098 CB GLU A 68 -14.085 -8.383 21.758 1.00 53.11 C ATOM 1099 CG GLU A 68 -15.414 -8.191 22.484 1.00 52.52 C ATOM 1100 CD GLU A 68 -15.330 -8.549 23.961 1.00 12.15 C ATOM 1101 OE1 GLU A 68 -15.409 -9.748 24.299 1.00 21.52 O ATOM 1102 OE2 GLU A 68 -15.172 -7.627 24.791 1.00 42.44 O1- ATOM 0 H GLU A 68 -13.896 -5.886 21.862 1.00 72.53 H new ATOM 0 HA GLU A 68 -12.826 -7.999 23.453 1.00 72.44 H new ATOM 0 HB2 GLU A 68 -14.188 -8.027 20.733 1.00 53.11 H new ATOM 0 HB3 GLU A 68 -13.862 -9.449 21.705 1.00 53.11 H new ATOM 0 HG2 GLU A 68 -15.733 -7.154 22.383 1.00 52.52 H new ATOM 0 HG3 GLU A 68 -16.177 -8.807 22.007 1.00 52.52 H new ATOM 1109 N LEU A 69 -11.305 -7.267 20.620 1.00 55.00 N ATOM 1110 CA LEU A 69 -10.059 -7.450 19.866 1.00 34.15 C ATOM 1111 C LEU A 69 -8.851 -7.204 20.784 1.00 72.51 C ATOM 1112 O LEU A 69 -7.861 -7.928 20.726 1.00 14.23 O ATOM 1113 CB LEU A 69 -10.039 -6.496 18.649 1.00 33.33 C ATOM 1114 CG LEU A 69 -8.953 -6.756 17.577 1.00 60.22 C ATOM 1115 CD1 LEU A 69 -9.322 -6.063 16.267 1.00 51.21 C ATOM 1116 CD2 LEU A 69 -7.575 -6.282 18.045 1.00 53.52 C ATOM 0 H LEU A 69 -11.914 -6.537 20.251 1.00 55.00 H new ATOM 0 HA LEU A 69 -10.002 -8.474 19.498 1.00 34.15 H new ATOM 0 HB2 LEU A 69 -11.014 -6.544 18.164 1.00 33.33 H new ATOM 0 HB3 LEU A 69 -9.916 -5.478 19.017 1.00 33.33 H new ATOM 0 HG LEU A 69 -8.903 -7.833 17.415 1.00 60.22 H new ATOM 0 HD11 LEU A 69 -8.549 -6.255 15.523 1.00 51.21 H new ATOM 0 HD12 LEU A 69 -10.276 -6.449 15.907 1.00 51.21 H new ATOM 0 HD13 LEU A 69 -9.405 -4.989 16.434 1.00 51.21 H new ATOM 0 HD21 LEU A 69 -6.838 -6.481 17.267 1.00 53.52 H new ATOM 0 HD22 LEU A 69 -7.608 -5.212 18.248 1.00 53.52 H new ATOM 0 HD23 LEU A 69 -7.296 -6.816 18.954 1.00 53.52 H new ATOM 1128 N ALA A 70 -8.956 -6.192 21.650 1.00 43.34 N ATOM 1129 CA ALA A 70 -7.900 -5.892 22.630 1.00 61.41 C ATOM 1130 C ALA A 70 -7.597 -7.104 23.526 1.00 43.22 C ATOM 1131 O ALA A 70 -6.445 -7.358 23.883 1.00 32.21 O ATOM 1132 CB ALA A 70 -8.300 -4.697 23.486 1.00 10.33 C ATOM 0 H ALA A 70 -9.759 -5.565 21.695 1.00 43.34 H new ATOM 0 HA ALA A 70 -6.993 -5.651 22.075 1.00 61.41 H new ATOM 0 HB1 ALA A 70 -7.510 -4.485 24.207 1.00 10.33 H new ATOM 0 HB2 ALA A 70 -8.451 -3.827 22.848 1.00 10.33 H new ATOM 0 HB3 ALA A 70 -9.225 -4.923 24.017 1.00 10.33 H new ATOM 1138 N LYS A 71 -8.640 -7.853 23.879 1.00 32.53 N ATOM 1139 CA LYS A 71 -8.486 -9.051 24.713 1.00 25.33 C ATOM 1140 C LYS A 71 -7.663 -10.129 23.991 1.00 74.35 C ATOM 1141 O LYS A 71 -6.821 -10.788 24.601 1.00 53.51 O ATOM 1142 CB LYS A 71 -9.861 -9.602 25.110 1.00 2.44 C ATOM 1143 CG LYS A 71 -10.692 -8.619 25.928 1.00 44.30 C ATOM 1144 CD LYS A 71 -12.038 -9.207 26.328 1.00 44.13 C ATOM 1145 CE LYS A 71 -12.848 -8.238 27.181 1.00 63.24 C ATOM 1146 NZ LYS A 71 -13.140 -6.970 26.462 1.00 15.31 N1+ ATOM 0 H LYS A 71 -9.602 -7.655 23.602 1.00 32.53 H new ATOM 0 HA LYS A 71 -7.946 -8.767 25.616 1.00 25.33 H new ATOM 0 HB2 LYS A 71 -10.412 -9.870 24.208 1.00 2.44 H new ATOM 0 HB3 LYS A 71 -9.725 -10.518 25.685 1.00 2.44 H new ATOM 0 HG2 LYS A 71 -10.140 -8.335 26.824 1.00 44.30 H new ATOM 0 HG3 LYS A 71 -10.851 -7.709 25.349 1.00 44.30 H new ATOM 0 HD2 LYS A 71 -12.604 -9.463 25.432 1.00 44.13 H new ATOM 0 HD3 LYS A 71 -11.880 -10.133 26.881 1.00 44.13 H new ATOM 0 HE2 LYS A 71 -13.785 -8.711 27.476 1.00 63.24 H new ATOM 0 HE3 LYS A 71 -12.300 -8.017 28.097 1.00 63.24 H new ATOM 0 HZ1 LYS A 71 -13.735 -6.361 27.059 1.00 15.31 H new ATOM 0 HZ2 LYS A 71 -12.248 -6.479 26.247 1.00 15.31 H new ATOM 0 HZ3 LYS A 71 -13.641 -7.181 25.575 1.00 15.31 H new ATOM 1160 N ARG A 72 -7.907 -10.294 22.688 1.00 75.30 N ATOM 1161 CA ARG A 72 -7.122 -11.226 21.864 1.00 51.04 C ATOM 1162 C ARG A 72 -5.703 -10.685 21.642 1.00 33.22 C ATOM 1163 O ARG A 72 -4.732 -11.436 21.620 1.00 65.13 O ATOM 1164 CB ARG A 72 -7.796 -11.466 20.499 1.00 42.01 C ATOM 1165 CG ARG A 72 -9.060 -12.328 20.544 1.00 30.22 C ATOM 1166 CD ARG A 72 -10.189 -11.669 21.328 1.00 23.52 C ATOM 1167 NE ARG A 72 -11.459 -12.373 21.165 1.00 0.11 N ATOM 1168 CZ ARG A 72 -12.372 -12.478 22.091 1.00 25.05 C ATOM 1169 NH1 ARG A 72 -12.172 -12.007 23.279 1.00 72.34 N1+ ATOM 1170 NH2 ARG A 72 -13.484 -13.074 21.829 1.00 34.10 N ATOM 0 H ARG A 72 -8.639 -9.798 22.180 1.00 75.30 H new ATOM 0 HA ARG A 72 -7.069 -12.173 22.400 1.00 51.04 H new ATOM 0 HB2 ARG A 72 -8.048 -10.500 20.061 1.00 42.01 H new ATOM 0 HB3 ARG A 72 -7.075 -11.940 19.833 1.00 42.01 H new ATOM 0 HG2 ARG A 72 -9.397 -12.527 19.527 1.00 30.22 H new ATOM 0 HG3 ARG A 72 -8.823 -13.291 20.995 1.00 30.22 H new ATOM 0 HD2 ARG A 72 -9.925 -11.639 22.385 1.00 23.52 H new ATOM 0 HD3 ARG A 72 -10.303 -10.636 20.998 1.00 23.52 H new ATOM 0 HE ARG A 72 -11.645 -12.813 20.264 1.00 0.11 H new ATOM 0 HH11 ARG A 72 -11.290 -11.545 23.503 1.00 72.34 H new ATOM 0 HH12 ARG A 72 -12.896 -12.097 23.992 1.00 72.34 H new ATOM 0 HH21 ARG A 72 -13.648 -13.462 20.900 1.00 34.10 H new ATOM 0 HH22 ARG A 72 -14.200 -13.158 22.551 1.00 34.10 H new ATOM 1184 N ALA A 73 -5.600 -9.371 21.480 1.00 33.34 N ATOM 1185 CA ALA A 73 -4.313 -8.695 21.301 1.00 72.44 C ATOM 1186 C ALA A 73 -3.401 -8.888 22.521 1.00 5.14 C ATOM 1187 O ALA A 73 -2.181 -8.950 22.389 1.00 62.01 O ATOM 1188 CB ALA A 73 -4.531 -7.209 21.030 1.00 54.23 C ATOM 0 H ALA A 73 -6.403 -8.742 21.468 1.00 33.34 H new ATOM 0 HA ALA A 73 -3.816 -9.144 20.441 1.00 72.44 H new ATOM 0 HB1 ALA A 73 -3.567 -6.718 20.899 1.00 54.23 H new ATOM 0 HB2 ALA A 73 -5.126 -7.088 20.125 1.00 54.23 H new ATOM 0 HB3 ALA A 73 -5.056 -6.759 21.872 1.00 54.23 H new ATOM 1194 N LYS A 74 -4.008 -9.008 23.701 1.00 22.21 N ATOM 1195 CA LYS A 74 -3.266 -9.067 24.969 1.00 21.11 C ATOM 1196 C LYS A 74 -2.168 -10.152 24.967 1.00 34.43 C ATOM 1197 O LYS A 74 -1.036 -9.886 25.369 1.00 2.11 O ATOM 1198 CB LYS A 74 -4.250 -9.313 26.122 1.00 21.13 C ATOM 1199 CG LYS A 74 -3.592 -9.429 27.494 1.00 12.43 C ATOM 1200 CD LYS A 74 -4.615 -9.623 28.617 1.00 72.15 C ATOM 1201 CE LYS A 74 -5.305 -10.990 28.569 1.00 40.31 C ATOM 1202 NZ LYS A 74 -6.254 -11.119 27.431 1.00 23.14 N1+ ATOM 0 H LYS A 74 -5.020 -9.067 23.810 1.00 22.21 H new ATOM 0 HA LYS A 74 -2.761 -8.110 25.100 1.00 21.11 H new ATOM 0 HB2 LYS A 74 -4.974 -8.498 26.147 1.00 21.13 H new ATOM 0 HB3 LYS A 74 -4.807 -10.228 25.920 1.00 21.13 H new ATOM 0 HG2 LYS A 74 -2.897 -10.268 27.491 1.00 12.43 H new ATOM 0 HG3 LYS A 74 -3.007 -8.531 27.690 1.00 12.43 H new ATOM 0 HD2 LYS A 74 -4.116 -9.508 29.579 1.00 72.15 H new ATOM 0 HD3 LYS A 74 -5.369 -8.839 28.553 1.00 72.15 H new ATOM 0 HE2 LYS A 74 -4.548 -11.771 28.495 1.00 40.31 H new ATOM 0 HE3 LYS A 74 -5.842 -11.154 29.504 1.00 40.31 H new ATOM 0 HZ1 LYS A 74 -7.139 -11.551 27.765 1.00 23.14 H new ATOM 0 HZ2 LYS A 74 -6.455 -10.177 27.038 1.00 23.14 H new ATOM 0 HZ3 LYS A 74 -5.832 -11.719 26.694 1.00 23.14 H new ATOM 1216 N LYS A 75 -2.489 -11.368 24.515 1.00 51.42 N ATOM 1217 CA LYS A 75 -1.480 -12.438 24.424 1.00 2.20 C ATOM 1218 C LYS A 75 -0.341 -12.077 23.450 1.00 1.51 C ATOM 1219 O LYS A 75 0.817 -12.435 23.677 1.00 35.52 O ATOM 1220 CB LYS A 75 -2.123 -13.802 24.076 1.00 40.24 C ATOM 1221 CG LYS A 75 -3.159 -13.786 22.947 1.00 24.53 C ATOM 1222 CD LYS A 75 -2.535 -13.823 21.550 1.00 24.51 C ATOM 1223 CE LYS A 75 -3.606 -13.972 20.470 1.00 33.14 C ATOM 1224 NZ LYS A 75 -3.034 -13.977 19.097 1.00 4.21 N1+ ATOM 0 H LYS A 75 -3.424 -11.638 24.210 1.00 51.42 H new ATOM 0 HA LYS A 75 -1.031 -12.536 25.412 1.00 2.20 H new ATOM 0 HB2 LYS A 75 -1.329 -14.497 23.804 1.00 40.24 H new ATOM 0 HB3 LYS A 75 -2.599 -14.197 24.974 1.00 40.24 H new ATOM 0 HG2 LYS A 75 -3.825 -14.641 23.062 1.00 24.53 H new ATOM 0 HG3 LYS A 75 -3.773 -12.890 23.039 1.00 24.53 H new ATOM 0 HD2 LYS A 75 -1.967 -12.909 21.378 1.00 24.51 H new ATOM 0 HD3 LYS A 75 -1.831 -14.653 21.485 1.00 24.51 H new ATOM 0 HE2 LYS A 75 -4.156 -14.898 20.634 1.00 33.14 H new ATOM 0 HE3 LYS A 75 -4.323 -13.156 20.559 1.00 33.14 H new ATOM 0 HZ1 LYS A 75 -3.801 -14.080 18.402 1.00 4.21 H new ATOM 0 HZ2 LYS A 75 -2.531 -13.083 18.927 1.00 4.21 H new ATOM 0 HZ3 LYS A 75 -2.370 -14.772 19.000 1.00 4.21 H new ATOM 1238 N LEU A 76 -0.667 -11.363 22.373 1.00 51.10 N ATOM 1239 CA LEU A 76 0.353 -10.881 21.434 1.00 71.42 C ATOM 1240 C LEU A 76 1.248 -9.835 22.124 1.00 13.00 C ATOM 1241 O LEU A 76 2.474 -9.893 22.036 1.00 73.25 O ATOM 1242 CB LEU A 76 -0.327 -10.297 20.176 1.00 22.34 C ATOM 1243 CG LEU A 76 0.596 -9.981 18.974 1.00 70.20 C ATOM 1244 CD1 LEU A 76 -0.218 -9.879 17.686 1.00 53.00 C ATOM 1245 CD2 LEU A 76 1.377 -8.684 19.188 1.00 31.22 C ATOM 0 H LEU A 76 -1.623 -11.105 22.127 1.00 51.10 H new ATOM 0 HA LEU A 76 0.985 -11.713 21.122 1.00 71.42 H new ATOM 0 HB2 LEU A 76 -1.091 -11.000 19.844 1.00 22.34 H new ATOM 0 HB3 LEU A 76 -0.841 -9.379 20.461 1.00 22.34 H new ATOM 0 HG LEU A 76 1.309 -10.801 18.890 1.00 70.20 H new ATOM 0 HD11 LEU A 76 0.447 -9.656 16.852 1.00 53.00 H new ATOM 0 HD12 LEU A 76 -0.727 -10.825 17.502 1.00 53.00 H new ATOM 0 HD13 LEU A 76 -0.956 -9.083 17.784 1.00 53.00 H new ATOM 0 HD21 LEU A 76 2.014 -8.496 18.323 1.00 31.22 H new ATOM 0 HD22 LEU A 76 0.680 -7.856 19.312 1.00 31.22 H new ATOM 0 HD23 LEU A 76 1.995 -8.775 20.081 1.00 31.22 H new ATOM 1257 N LEU A 77 0.619 -8.894 22.828 1.00 50.34 N ATOM 1258 CA LEU A 77 1.344 -7.875 23.600 1.00 1.10 C ATOM 1259 C LEU A 77 2.193 -8.519 24.712 1.00 53.24 C ATOM 1260 O LEU A 77 3.280 -8.037 25.037 1.00 31.11 O ATOM 1261 CB LEU A 77 0.357 -6.851 24.194 1.00 44.04 C ATOM 1262 CG LEU A 77 -0.129 -5.744 23.229 1.00 35.44 C ATOM 1263 CD1 LEU A 77 -0.645 -6.330 21.918 1.00 64.14 C ATOM 1264 CD2 LEU A 77 -1.214 -4.894 23.890 1.00 55.24 C ATOM 0 H LEU A 77 -0.396 -8.813 22.882 1.00 50.34 H new ATOM 0 HA LEU A 77 2.022 -7.355 22.923 1.00 1.10 H new ATOM 0 HB2 LEU A 77 -0.514 -7.389 24.567 1.00 44.04 H new ATOM 0 HB3 LEU A 77 0.830 -6.375 25.053 1.00 44.04 H new ATOM 0 HG LEU A 77 0.727 -5.110 22.999 1.00 35.44 H new ATOM 0 HD11 LEU A 77 -0.978 -5.523 21.265 1.00 64.14 H new ATOM 0 HD12 LEU A 77 0.154 -6.887 21.429 1.00 64.14 H new ATOM 0 HD13 LEU A 77 -1.481 -6.999 22.123 1.00 64.14 H new ATOM 0 HD21 LEU A 77 -1.543 -4.121 23.196 1.00 55.24 H new ATOM 0 HD22 LEU A 77 -2.060 -5.527 24.156 1.00 55.24 H new ATOM 0 HD23 LEU A 77 -0.813 -4.427 24.790 1.00 55.24 H new ATOM 1276 N ARG A 78 1.697 -9.616 25.288 1.00 51.13 N ATOM 1277 CA ARG A 78 2.456 -10.381 26.285 1.00 35.54 C ATOM 1278 C ARG A 78 3.698 -11.029 25.661 1.00 54.14 C ATOM 1279 O ARG A 78 4.733 -11.165 26.315 1.00 60.42 O ATOM 1280 CB ARG A 78 1.565 -11.446 26.947 1.00 65.10 C ATOM 1281 CG ARG A 78 0.549 -10.866 27.928 1.00 63.23 C ATOM 1282 CD ARG A 78 1.238 -10.162 29.093 1.00 43.33 C ATOM 1283 NE ARG A 78 0.289 -9.504 29.985 1.00 2.05 N ATOM 1284 CZ ARG A 78 0.629 -8.634 30.899 1.00 25.24 C ATOM 1285 NH1 ARG A 78 1.876 -8.338 31.095 1.00 51.53 N1+ ATOM 1286 NH2 ARG A 78 -0.278 -8.073 31.630 1.00 11.32 N ATOM 0 H ARG A 78 0.773 -9.996 25.082 1.00 51.13 H new ATOM 0 HA ARG A 78 2.792 -9.685 27.054 1.00 35.54 H new ATOM 0 HB2 ARG A 78 1.035 -11.998 26.171 1.00 65.10 H new ATOM 0 HB3 ARG A 78 2.197 -12.162 27.472 1.00 65.10 H new ATOM 0 HG2 ARG A 78 -0.100 -10.161 27.408 1.00 63.23 H new ATOM 0 HG3 ARG A 78 -0.088 -11.664 28.309 1.00 63.23 H new ATOM 0 HD2 ARG A 78 1.821 -10.888 29.659 1.00 43.33 H new ATOM 0 HD3 ARG A 78 1.939 -9.424 28.704 1.00 43.33 H new ATOM 0 HE ARG A 78 -0.699 -9.737 29.889 1.00 2.05 H new ATOM 0 HH11 ARG A 78 2.601 -8.785 30.534 1.00 51.53 H new ATOM 0 HH12 ARG A 78 2.132 -7.658 31.811 1.00 51.53 H new ATOM 0 HH21 ARG A 78 -1.261 -8.309 31.494 1.00 11.32 H new ATOM 0 HH22 ARG A 78 -0.011 -7.394 32.343 1.00 11.32 H new ATOM 1300 N SER A 79 3.595 -11.420 24.390 1.00 52.14 N ATOM 1301 CA SER A 79 4.757 -11.929 23.649 1.00 43.10 C ATOM 1302 C SER A 79 5.861 -10.861 23.581 1.00 15.43 C ATOM 1303 O SER A 79 7.052 -11.172 23.610 1.00 51.10 O ATOM 1304 CB SER A 79 4.359 -12.359 22.228 1.00 12.44 C ATOM 1305 OG SER A 79 5.463 -12.912 21.526 1.00 33.42 O ATOM 0 H SER A 79 2.728 -11.396 23.853 1.00 52.14 H new ATOM 0 HA SER A 79 5.137 -12.801 24.181 1.00 43.10 H new ATOM 0 HB2 SER A 79 3.554 -13.093 22.280 1.00 12.44 H new ATOM 0 HB3 SER A 79 3.972 -11.499 21.681 1.00 12.44 H new ATOM 0 HG SER A 79 5.179 -13.177 20.626 1.00 33.42 H new ATOM 1311 N TRP A 80 5.450 -9.597 23.499 1.00 72.13 N ATOM 1312 CA TRP A 80 6.388 -8.467 23.518 1.00 0.22 C ATOM 1313 C TRP A 80 6.904 -8.215 24.945 1.00 14.22 C ATOM 1314 O TRP A 80 8.099 -8.010 25.162 1.00 21.22 O ATOM 1315 CB TRP A 80 5.708 -7.202 22.972 1.00 12.45 C ATOM 1316 CG TRP A 80 5.227 -7.328 21.551 1.00 41.25 C ATOM 1317 CD1 TRP A 80 5.100 -8.476 20.821 1.00 51.12 C ATOM 1318 CD2 TRP A 80 4.799 -6.261 20.693 1.00 31.41 C ATOM 1319 NE1 TRP A 80 4.625 -8.188 19.568 1.00 24.30 N ATOM 1320 CE2 TRP A 80 4.434 -6.836 19.463 1.00 4.13 C ATOM 1321 CE3 TRP A 80 4.696 -4.876 20.846 1.00 12.53 C ATOM 1322 CZ2 TRP A 80 3.967 -6.075 18.395 1.00 33.43 C ATOM 1323 CZ3 TRP A 80 4.233 -4.120 19.786 1.00 44.42 C ATOM 1324 CH2 TRP A 80 3.876 -4.722 18.571 1.00 75.42 C ATOM 0 H TRP A 80 4.470 -9.325 23.418 1.00 72.13 H new ATOM 0 HA TRP A 80 7.237 -8.715 22.881 1.00 0.22 H new ATOM 0 HB2 TRP A 80 4.860 -6.954 23.611 1.00 12.45 H new ATOM 0 HB3 TRP A 80 6.409 -6.370 23.035 1.00 12.45 H new ATOM 0 HD1 TRP A 80 5.339 -9.466 21.179 1.00 51.12 H new ATOM 0 HE1 TRP A 80 4.443 -8.871 18.832 1.00 24.30 H new ATOM 0 HE3 TRP A 80 4.974 -4.404 21.777 1.00 12.53 H new ATOM 0 HZ2 TRP A 80 3.686 -6.537 17.460 1.00 33.43 H new ATOM 0 HZ3 TRP A 80 4.145 -3.049 19.895 1.00 44.42 H new ATOM 0 HH2 TRP A 80 3.522 -4.105 17.758 1.00 75.42 H new ATOM 1335 N GLN A 81 5.989 -8.244 25.919 1.00 32.13 N ATOM 1336 CA GLN A 81 6.348 -8.105 27.340 1.00 35.44 C ATOM 1337 C GLN A 81 7.315 -9.216 27.782 1.00 53.53 C ATOM 1338 O GLN A 81 8.036 -9.072 28.769 1.00 33.12 O ATOM 1339 CB GLN A 81 5.082 -8.139 28.214 1.00 22.33 C ATOM 1340 CG GLN A 81 4.112 -6.985 27.957 1.00 12.05 C ATOM 1341 CD GLN A 81 4.640 -5.640 28.437 1.00 72.11 C ATOM 1342 OE1 GLN A 81 4.395 -5.231 29.567 1.00 30.23 O ATOM 1343 NE2 GLN A 81 5.370 -4.944 27.586 1.00 41.41 N ATOM 0 H GLN A 81 4.990 -8.363 25.752 1.00 32.13 H new ATOM 0 HA GLN A 81 6.849 -7.145 27.466 1.00 35.44 H new ATOM 0 HB2 GLN A 81 4.561 -9.081 28.043 1.00 22.33 H new ATOM 0 HB3 GLN A 81 5.378 -8.124 29.263 1.00 22.33 H new ATOM 0 HG2 GLN A 81 3.903 -6.926 26.889 1.00 12.05 H new ATOM 0 HG3 GLN A 81 3.166 -7.196 28.456 1.00 12.05 H new ATOM 0 HE21 GLN A 81 5.556 -5.312 26.653 1.00 41.41 H new ATOM 0 HE22 GLN A 81 5.749 -4.038 27.861 1.00 41.41 H new ATOM 1352 N LYS A 82 7.334 -10.315 27.030 1.00 33.05 N ATOM 1353 CA LYS A 82 8.217 -11.450 27.314 1.00 42.12 C ATOM 1354 C LYS A 82 9.702 -11.036 27.259 1.00 41.53 C ATOM 1355 O LYS A 82 10.567 -11.699 27.837 1.00 3.24 O ATOM 1356 CB LYS A 82 7.914 -12.585 26.315 1.00 64.12 C ATOM 1357 CG LYS A 82 8.641 -13.905 26.587 1.00 31.25 C ATOM 1358 CD LYS A 82 10.002 -13.982 25.895 1.00 31.15 C ATOM 1359 CE LYS A 82 10.679 -15.326 26.135 1.00 22.10 C ATOM 1360 NZ LYS A 82 12.004 -15.414 25.466 1.00 41.34 N1+ ATOM 0 H LYS A 82 6.742 -10.446 26.210 1.00 33.05 H new ATOM 0 HA LYS A 82 8.028 -11.804 28.327 1.00 42.12 H new ATOM 0 HB2 LYS A 82 6.840 -12.773 26.318 1.00 64.12 H new ATOM 0 HB3 LYS A 82 8.175 -12.245 25.313 1.00 64.12 H new ATOM 0 HG2 LYS A 82 8.777 -14.025 27.662 1.00 31.25 H new ATOM 0 HG3 LYS A 82 8.019 -14.734 26.250 1.00 31.25 H new ATOM 0 HD2 LYS A 82 9.876 -13.824 24.824 1.00 31.15 H new ATOM 0 HD3 LYS A 82 10.643 -13.180 26.262 1.00 31.15 H new ATOM 0 HE2 LYS A 82 10.804 -15.482 27.207 1.00 22.10 H new ATOM 0 HE3 LYS A 82 10.035 -16.126 25.769 1.00 22.10 H new ATOM 0 HZ1 LYS A 82 12.428 -16.344 25.656 1.00 41.34 H new ATOM 0 HZ2 LYS A 82 11.884 -15.291 24.440 1.00 41.34 H new ATOM 0 HZ3 LYS A 82 12.628 -14.668 25.833 1.00 41.34 H new ATOM 1374 N LEU A 83 9.989 -9.931 26.575 1.00 53.34 N ATOM 1375 CA LEU A 83 11.353 -9.393 26.510 1.00 31.02 C ATOM 1376 C LEU A 83 11.859 -8.964 27.897 1.00 1.35 C ATOM 1377 O LEU A 83 13.013 -9.218 28.257 1.00 21.32 O ATOM 1378 CB LEU A 83 11.391 -8.186 25.562 1.00 5.51 C ATOM 1379 CG LEU A 83 12.748 -7.466 25.460 1.00 60.12 C ATOM 1380 CD1 LEU A 83 13.797 -8.369 24.813 1.00 72.35 C ATOM 1381 CD2 LEU A 83 12.606 -6.154 24.691 1.00 21.14 C ATOM 0 H LEU A 83 9.298 -9.388 26.057 1.00 53.34 H new ATOM 0 HA LEU A 83 12.004 -10.184 26.138 1.00 31.02 H new ATOM 0 HB2 LEU A 83 11.100 -8.519 24.566 1.00 5.51 H new ATOM 0 HB3 LEU A 83 10.641 -7.466 25.889 1.00 5.51 H new ATOM 0 HG LEU A 83 13.086 -7.232 26.470 1.00 60.12 H new ATOM 0 HD11 LEU A 83 14.747 -7.838 24.752 1.00 72.35 H new ATOM 0 HD12 LEU A 83 13.923 -9.269 25.414 1.00 72.35 H new ATOM 0 HD13 LEU A 83 13.471 -8.645 23.810 1.00 72.35 H new ATOM 0 HD21 LEU A 83 13.576 -5.661 24.630 1.00 21.14 H new ATOM 0 HD22 LEU A 83 12.240 -6.360 23.685 1.00 21.14 H new ATOM 0 HD23 LEU A 83 11.900 -5.504 25.208 1.00 21.14 H new ATOM 1393 N ILE A 84 10.984 -8.332 28.678 1.00 51.12 N ATOM 1394 CA ILE A 84 11.360 -7.801 29.995 1.00 14.45 C ATOM 1395 C ILE A 84 10.837 -8.664 31.161 1.00 63.44 C ATOM 1396 O ILE A 84 11.335 -8.563 32.286 1.00 12.51 O ATOM 1397 CB ILE A 84 10.912 -6.313 30.154 1.00 63.43 C ATOM 1398 CG1 ILE A 84 9.486 -6.069 29.607 1.00 50.45 C ATOM 1399 CG2 ILE A 84 11.907 -5.384 29.456 1.00 62.31 C ATOM 1400 CD1 ILE A 84 8.368 -6.561 30.502 1.00 12.51 C ATOM 0 H ILE A 84 10.009 -8.173 28.425 1.00 51.12 H new ATOM 0 HA ILE A 84 12.448 -7.840 30.043 1.00 14.45 H new ATOM 0 HB ILE A 84 10.894 -6.093 31.222 1.00 63.43 H new ATOM 0 HG12 ILE A 84 9.354 -5.000 29.440 1.00 50.45 H new ATOM 0 HG13 ILE A 84 9.396 -6.557 28.636 1.00 50.45 H new ATOM 0 HG21 ILE A 84 11.584 -4.350 29.574 1.00 62.31 H new ATOM 0 HG22 ILE A 84 12.894 -5.508 29.901 1.00 62.31 H new ATOM 0 HG23 ILE A 84 11.953 -5.631 28.395 1.00 62.31 H new ATOM 0 HD11 ILE A 84 7.407 -6.346 30.035 1.00 12.51 H new ATOM 0 HD12 ILE A 84 8.467 -7.636 30.650 1.00 12.51 H new ATOM 0 HD13 ILE A 84 8.424 -6.055 31.466 1.00 12.51 H new ATOM 1412 N GLU A 85 9.846 -9.518 30.891 1.00 24.22 N ATOM 1413 CA GLU A 85 9.304 -10.440 31.907 1.00 23.25 C ATOM 1414 C GLU A 85 9.171 -11.870 31.359 1.00 35.22 C ATOM 1415 O GLU A 85 8.621 -12.080 30.280 1.00 34.42 O ATOM 1416 CB GLU A 85 7.934 -9.956 32.413 1.00 65.42 C ATOM 1417 CG GLU A 85 7.997 -8.678 33.241 1.00 23.50 C ATOM 1418 CD GLU A 85 6.650 -8.276 33.814 1.00 15.53 C ATOM 1419 OE1 GLU A 85 5.949 -7.456 33.187 1.00 45.10 O ATOM 1420 OE2 GLU A 85 6.287 -8.779 34.901 1.00 65.32 O1- ATOM 0 H GLU A 85 9.399 -9.594 29.978 1.00 24.22 H new ATOM 0 HA GLU A 85 10.010 -10.451 32.737 1.00 23.25 H new ATOM 0 HB2 GLU A 85 7.279 -9.791 31.557 1.00 65.42 H new ATOM 0 HB3 GLU A 85 7.480 -10.744 33.014 1.00 65.42 H new ATOM 0 HG2 GLU A 85 8.707 -8.815 34.057 1.00 23.50 H new ATOM 0 HG3 GLU A 85 8.378 -7.867 32.620 1.00 23.50 H new ATOM 1427 N PRO A 86 9.646 -12.884 32.112 1.00 70.24 N ATOM 1428 CA PRO A 86 9.587 -14.300 31.687 1.00 45.52 C ATOM 1429 C PRO A 86 8.170 -14.911 31.778 1.00 23.44 C ATOM 1430 O PRO A 86 8.012 -16.132 31.825 1.00 64.43 O ATOM 1431 CB PRO A 86 10.543 -15.013 32.672 1.00 54.20 C ATOM 1432 CG PRO A 86 11.233 -13.923 33.435 1.00 5.21 C ATOM 1433 CD PRO A 86 10.294 -12.752 33.425 1.00 74.12 C ATOM 0 HA PRO A 86 9.863 -14.408 30.638 1.00 45.52 H new ATOM 0 HB2 PRO A 86 9.992 -15.672 33.343 1.00 54.20 H new ATOM 0 HB3 PRO A 86 11.263 -15.633 32.138 1.00 54.20 H new ATOM 0 HG2 PRO A 86 11.452 -14.239 34.455 1.00 5.21 H new ATOM 0 HG3 PRO A 86 12.185 -13.664 32.971 1.00 5.21 H new ATOM 0 HD2 PRO A 86 9.573 -12.801 34.241 1.00 74.12 H new ATOM 0 HD3 PRO A 86 10.824 -11.805 33.524 1.00 74.12 H new ATOM 1441 N ALA A 87 7.143 -14.064 31.760 1.00 2.42 N ATOM 1442 CA ALA A 87 5.754 -14.512 31.933 1.00 73.33 C ATOM 1443 C ALA A 87 5.152 -15.067 30.627 1.00 54.22 C ATOM 1444 O ALA A 87 4.065 -14.662 30.206 1.00 20.14 O ATOM 1445 CB ALA A 87 4.902 -13.363 32.467 1.00 32.44 C ATOM 0 H ALA A 87 7.243 -13.058 31.627 1.00 2.42 H new ATOM 0 HA ALA A 87 5.758 -15.329 32.654 1.00 73.33 H new ATOM 0 HB1 ALA A 87 3.873 -13.701 32.593 1.00 32.44 H new ATOM 0 HB2 ALA A 87 5.296 -13.034 33.428 1.00 32.44 H new ATOM 0 HB3 ALA A 87 4.927 -12.533 31.761 1.00 32.44 H new ATOM 1451 N HIS A 88 5.848 -16.013 30.001 1.00 21.01 N ATOM 1452 CA HIS A 88 5.370 -16.620 28.753 1.00 1.01 C ATOM 1453 C HIS A 88 4.861 -18.052 28.987 1.00 34.13 C ATOM 1454 O HIS A 88 5.643 -18.980 29.201 1.00 45.20 O ATOM 1455 CB HIS A 88 6.470 -16.604 27.679 1.00 74.40 C ATOM 1456 CG HIS A 88 7.720 -17.351 28.042 1.00 4.45 C ATOM 1457 ND1 HIS A 88 8.034 -18.590 27.523 1.00 62.35 N ATOM 1458 CD2 HIS A 88 8.747 -17.023 28.861 1.00 31.10 C ATOM 1459 CE1 HIS A 88 9.193 -18.989 28.006 1.00 2.03 C ATOM 1460 NE2 HIS A 88 9.647 -18.058 28.819 1.00 21.13 N ATOM 0 H HIS A 88 6.741 -16.377 30.332 1.00 21.01 H new ATOM 0 HA HIS A 88 4.532 -16.022 28.395 1.00 1.01 H new ATOM 0 HB2 HIS A 88 6.066 -17.027 26.760 1.00 74.40 H new ATOM 0 HB3 HIS A 88 6.733 -15.568 27.465 1.00 74.40 H new ATOM 0 HD2 HIS A 88 8.840 -16.116 29.440 1.00 31.10 H new ATOM 0 HE1 HIS A 88 9.687 -19.921 27.774 1.00 2.03 H new ATOM 0 HE2 HIS A 88 10.526 -18.099 29.335 1.00 21.13 H new ATOM 1469 N GLN A 89 3.541 -18.218 28.958 1.00 15.15 N ATOM 1470 CA GLN A 89 2.921 -19.531 29.149 1.00 41.32 C ATOM 1471 C GLN A 89 2.928 -20.343 27.844 1.00 60.12 C ATOM 1472 O GLN A 89 3.460 -21.454 27.799 1.00 62.22 O ATOM 1473 CB GLN A 89 1.488 -19.371 29.674 1.00 1.30 C ATOM 1474 CG GLN A 89 1.412 -18.740 31.060 1.00 23.13 C ATOM 1475 CD GLN A 89 -0.014 -18.459 31.504 1.00 2.12 C ATOM 1476 OE1 GLN A 89 -0.673 -19.305 32.101 1.00 43.33 O ATOM 1477 NE2 GLN A 89 -0.500 -17.268 31.227 1.00 12.40 N ATOM 0 H GLN A 89 2.877 -17.459 28.804 1.00 15.15 H new ATOM 0 HA GLN A 89 3.507 -20.078 29.887 1.00 41.32 H new ATOM 0 HB2 GLN A 89 0.920 -18.759 28.974 1.00 1.30 H new ATOM 0 HB3 GLN A 89 1.009 -20.350 29.703 1.00 1.30 H new ATOM 0 HG2 GLN A 89 1.888 -19.403 31.782 1.00 23.13 H new ATOM 0 HG3 GLN A 89 1.978 -17.808 31.061 1.00 23.13 H new ATOM 0 HE21 GLN A 89 0.073 -16.586 30.729 1.00 12.40 H new ATOM 0 HE22 GLN A 89 -1.450 -17.026 31.510 1.00 12.40 H new ATOM 1486 N HIS A 90 2.325 -19.789 26.788 1.00 72.11 N ATOM 1487 CA HIS A 90 2.333 -20.424 25.460 1.00 4.40 C ATOM 1488 C HIS A 90 2.492 -19.382 24.338 1.00 22.22 C ATOM 1489 O HIS A 90 1.505 -18.854 23.823 1.00 71.31 O ATOM 1490 CB HIS A 90 1.044 -21.230 25.226 1.00 13.24 C ATOM 1491 CG HIS A 90 0.808 -22.316 26.232 1.00 1.14 C ATOM 1492 ND1 HIS A 90 -0.117 -22.209 27.247 1.00 40.50 N ATOM 1493 CD2 HIS A 90 1.372 -23.540 26.373 1.00 10.04 C ATOM 1494 CE1 HIS A 90 -0.111 -23.311 27.968 1.00 25.22 C ATOM 1495 NE2 HIS A 90 0.781 -24.133 27.460 1.00 41.32 N ATOM 0 H HIS A 90 1.824 -18.901 26.824 1.00 72.11 H new ATOM 0 HA HIS A 90 3.188 -21.099 25.436 1.00 4.40 H new ATOM 0 HB2 HIS A 90 0.194 -20.547 25.239 1.00 13.24 H new ATOM 0 HB3 HIS A 90 1.082 -21.674 24.231 1.00 13.24 H new ATOM 0 HD2 HIS A 90 2.142 -23.968 25.748 1.00 10.04 H new ATOM 0 HE1 HIS A 90 -0.733 -23.506 28.829 1.00 25.22 H new ATOM 0 HE2 HIS A 90 0.999 -25.063 27.817 1.00 41.32 H new ATOM 1504 N GLU A 91 3.740 -19.077 23.980 1.00 21.24 N ATOM 1505 CA GLU A 91 4.030 -18.161 22.864 1.00 51.45 C ATOM 1506 C GLU A 91 5.430 -18.419 22.285 1.00 1.23 C ATOM 1507 O GLU A 91 5.676 -18.203 21.094 1.00 40.51 O ATOM 1508 CB GLU A 91 3.864 -16.686 23.300 1.00 62.35 C ATOM 1509 CG GLU A 91 4.825 -16.201 24.394 1.00 22.54 C ATOM 1510 CD GLU A 91 6.209 -15.824 23.873 1.00 41.40 C ATOM 1511 OE1 GLU A 91 6.299 -15.242 22.768 1.00 11.42 O ATOM 1512 OE2 GLU A 91 7.206 -16.089 24.571 1.00 42.23 O1- ATOM 0 H GLU A 91 4.569 -19.448 24.443 1.00 21.24 H new ATOM 0 HA GLU A 91 3.306 -18.356 22.073 1.00 51.45 H new ATOM 0 HB2 GLU A 91 3.991 -16.051 22.423 1.00 62.35 H new ATOM 0 HB3 GLU A 91 2.842 -16.543 23.651 1.00 62.35 H new ATOM 0 HG2 GLU A 91 4.387 -15.337 24.893 1.00 22.54 H new ATOM 0 HG3 GLU A 91 4.930 -16.983 25.146 1.00 22.54 H new ATOM 1519 N ALA A 92 6.346 -18.870 23.141 1.00 30.14 N ATOM 1520 CA ALA A 92 7.687 -19.288 22.713 1.00 74.33 C ATOM 1521 C ALA A 92 7.769 -20.819 22.586 1.00 23.23 C ATOM 1522 O ALA A 92 7.685 -21.509 23.629 1.00 36.53 O ATOM 1523 CB ALA A 92 8.740 -18.779 23.694 1.00 71.01 C ATOM 1524 OXT ALA A 92 7.917 -21.328 21.449 1.00 36.53 O ATOM 0 H ALA A 92 6.185 -18.957 24.144 1.00 30.14 H new ATOM 0 HA ALA A 92 7.883 -18.854 21.733 1.00 74.33 H new ATOM 0 HB1 ALA A 92 9.729 -19.097 23.364 1.00 71.01 H new ATOM 0 HB2 ALA A 92 8.703 -17.690 23.735 1.00 71.01 H new ATOM 0 HB3 ALA A 92 8.541 -19.186 24.685 1.00 71.01 H new TER 1530 ALA A 92