USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 779 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 54 TYR OH : rot 180:sc= 0.326 USER MOD Set 1.2: A 95 GLN : amide:sc= -0.341 X(o=-0.016,f=0.47) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-5.8!) USER MOD Set 2.2: A 42 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0427 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.538 USER MOD Single : A 3 SER OG : rot -14:sc= 0.855 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 21 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.029) USER MOD Single : A 22 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.1!) USER MOD Single : A 26 ASN : amide:sc= -0.613 K(o=-0.61,f=-3.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0598 K(o=-0.06,f=-1.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0.024 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= -0.979 (180deg=-1.01) USER MOD Single : A 44 HIS : no HE2:sc= -0.102 X(o=-0.1,f=-0.085) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -137:sc= -0.299 (180deg=-4.06!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 40:sc= -1.44 USER MOD Single : A 58 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.49) USER MOD Single : A 61 SER OG : rot 160:sc= 0 USER MOD Single : A 62 MET CE :methyl -119:sc= -1.23 (180deg=-2.31!) USER MOD Single : A 64 GLN : amide:sc= -0.0101 K(o=-0.01,f=-0.89) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.37) USER MOD Single : A 85 MET CE :methyl 164:sc= -4.13! (180deg=-4.35!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.0139 K(o=-0.014,f=-1.1) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -54:sc= 0.337 USER MOD Single : A 102 SER OG : rot 180:sc= -0.101 USER MOD Single : A 103 SER OG : rot 63:sc= 0.0366 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.548 -12.468 -19.676 1.00 0.00 N ATOM 2 CA GLY A 1 31.294 -12.001 -19.115 1.00 0.00 C ATOM 3 C GLY A 1 30.263 -13.107 -19.000 1.00 0.00 C ATOM 4 O GLY A 1 30.321 -14.097 -19.729 1.00 0.00 O ATOM 0 H1 GLY A 1 33.288 -12.435 -18.946 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.435 -13.446 -20.011 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.820 -11.858 -20.473 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.477 -11.575 -18.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.896 -11.201 -19.739 1.00 0.00 H new ATOM 8 N SER A 2 29.318 -12.940 -18.080 1.00 0.00 N ATOM 9 CA SER A 2 28.273 -13.934 -17.868 1.00 0.00 C ATOM 10 C SER A 2 26.890 -13.312 -18.030 1.00 0.00 C ATOM 11 O SER A 2 26.320 -12.782 -17.076 1.00 0.00 O ATOM 12 CB SER A 2 28.406 -14.555 -16.476 1.00 0.00 C ATOM 13 OG SER A 2 28.408 -13.557 -15.470 1.00 0.00 O ATOM 0 H SER A 2 29.255 -12.125 -17.470 1.00 0.00 H new ATOM 0 HA SER A 2 28.391 -14.715 -18.619 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.583 -15.248 -16.303 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.327 -15.135 -16.419 1.00 0.00 H new ATOM 0 HG SER A 2 27.690 -12.914 -15.646 1.00 0.00 H new ATOM 19 N SER A 3 26.356 -13.380 -19.245 1.00 0.00 N ATOM 20 CA SER A 3 25.041 -12.820 -19.535 1.00 0.00 C ATOM 21 C SER A 3 24.898 -11.427 -18.930 1.00 0.00 C ATOM 22 O SER A 3 23.864 -11.090 -18.357 1.00 0.00 O ATOM 23 CB SER A 3 23.942 -13.738 -18.995 1.00 0.00 C ATOM 24 OG SER A 3 23.854 -13.652 -17.584 1.00 0.00 O ATOM 0 H SER A 3 26.814 -13.817 -20.045 1.00 0.00 H new ATOM 0 HA SER A 3 24.939 -12.739 -20.617 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.985 -13.465 -19.440 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.147 -14.768 -19.288 1.00 0.00 H new ATOM 0 HG SER A 3 24.652 -13.204 -17.233 1.00 0.00 H new ATOM 30 N GLY A 4 25.948 -10.621 -19.062 1.00 0.00 N ATOM 31 CA GLY A 4 25.920 -9.273 -18.524 1.00 0.00 C ATOM 32 C GLY A 4 24.602 -8.572 -18.783 1.00 0.00 C ATOM 33 O GLY A 4 23.864 -8.940 -19.697 1.00 0.00 O ATOM 0 H GLY A 4 26.817 -10.877 -19.531 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.103 -9.310 -17.450 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.730 -8.692 -18.966 1.00 0.00 H new ATOM 37 N SER A 5 24.303 -7.560 -17.975 1.00 0.00 N ATOM 38 CA SER A 5 23.061 -6.808 -18.118 1.00 0.00 C ATOM 39 C SER A 5 23.302 -5.316 -17.910 1.00 0.00 C ATOM 40 O SER A 5 24.413 -4.894 -17.591 1.00 0.00 O ATOM 41 CB SER A 5 22.018 -7.313 -17.120 1.00 0.00 C ATOM 42 OG SER A 5 21.358 -8.467 -17.611 1.00 0.00 O ATOM 0 H SER A 5 24.904 -7.242 -17.214 1.00 0.00 H new ATOM 0 HA SER A 5 22.687 -6.959 -19.131 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.501 -7.543 -16.170 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.287 -6.528 -16.925 1.00 0.00 H new ATOM 0 HG SER A 5 20.698 -8.771 -16.954 1.00 0.00 H new ATOM 48 N SER A 6 22.251 -4.523 -18.092 1.00 0.00 N ATOM 49 CA SER A 6 22.348 -3.077 -17.928 1.00 0.00 C ATOM 50 C SER A 6 22.279 -2.692 -16.454 1.00 0.00 C ATOM 51 O SER A 6 22.001 -3.527 -15.594 1.00 0.00 O ATOM 52 CB SER A 6 21.228 -2.379 -18.702 1.00 0.00 C ATOM 53 OG SER A 6 20.003 -2.440 -17.993 1.00 0.00 O ATOM 0 H SER A 6 21.323 -4.857 -18.353 1.00 0.00 H new ATOM 0 HA SER A 6 23.310 -2.754 -18.325 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.498 -1.338 -18.879 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.110 -2.848 -19.679 1.00 0.00 H new ATOM 0 HG SER A 6 19.304 -1.985 -18.508 1.00 0.00 H new ATOM 59 N GLY A 7 22.536 -1.418 -16.168 1.00 0.00 N ATOM 60 CA GLY A 7 22.498 -0.943 -14.798 1.00 0.00 C ATOM 61 C GLY A 7 21.374 0.044 -14.557 1.00 0.00 C ATOM 62 O GLY A 7 20.308 -0.059 -15.163 1.00 0.00 O ATOM 0 H GLY A 7 22.770 -0.707 -16.861 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.381 -1.793 -14.125 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.450 -0.471 -14.554 1.00 0.00 H new ATOM 66 N MET A 8 21.611 1.003 -13.667 1.00 0.00 N ATOM 67 CA MET A 8 20.608 2.013 -13.347 1.00 0.00 C ATOM 68 C MET A 8 21.195 3.095 -12.447 1.00 0.00 C ATOM 69 O MET A 8 22.330 2.982 -11.984 1.00 0.00 O ATOM 70 CB MET A 8 19.401 1.366 -12.666 1.00 0.00 C ATOM 71 CG MET A 8 19.705 0.822 -11.279 1.00 0.00 C ATOM 72 SD MET A 8 18.243 0.160 -10.458 1.00 0.00 S ATOM 73 CE MET A 8 18.240 1.120 -8.946 1.00 0.00 C ATOM 0 H MET A 8 22.488 1.102 -13.155 1.00 0.00 H new ATOM 0 HA MET A 8 20.285 2.476 -14.279 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.599 2.101 -12.592 1.00 0.00 H new ATOM 0 HB3 MET A 8 19.032 0.554 -13.293 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.459 0.039 -11.357 1.00 0.00 H new ATOM 0 HG3 MET A 8 20.133 1.616 -10.667 1.00 0.00 H new ATOM 0 HE1 MET A 8 17.391 0.825 -8.329 1.00 0.00 H new ATOM 0 HE2 MET A 8 19.166 0.940 -8.399 1.00 0.00 H new ATOM 0 HE3 MET A 8 18.161 2.180 -9.188 1.00 0.00 H new ATOM 83 N ALA A 9 20.415 4.143 -12.203 1.00 0.00 N ATOM 84 CA ALA A 9 20.858 5.245 -11.357 1.00 0.00 C ATOM 85 C ALA A 9 19.812 5.579 -10.299 1.00 0.00 C ATOM 86 O ALA A 9 18.726 4.998 -10.281 1.00 0.00 O ATOM 87 CB ALA A 9 21.165 6.471 -12.204 1.00 0.00 C ATOM 0 H ALA A 9 19.473 4.252 -12.579 1.00 0.00 H new ATOM 0 HA ALA A 9 21.769 4.934 -10.845 1.00 0.00 H new ATOM 0 HB1 ALA A 9 21.494 7.286 -11.559 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.953 6.232 -12.918 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.268 6.775 -12.743 1.00 0.00 H new ATOM 93 N ASP A 10 20.145 6.516 -9.420 1.00 0.00 N ATOM 94 CA ASP A 10 19.234 6.928 -8.358 1.00 0.00 C ATOM 95 C ASP A 10 18.362 8.095 -8.812 1.00 0.00 C ATOM 96 O ASP A 10 18.186 9.070 -8.084 1.00 0.00 O ATOM 97 CB ASP A 10 20.019 7.319 -7.106 1.00 0.00 C ATOM 98 CG ASP A 10 20.846 8.574 -7.309 1.00 0.00 C ATOM 99 OD1 ASP A 10 21.812 8.525 -8.099 1.00 0.00 O ATOM 100 OD2 ASP A 10 20.528 9.604 -6.679 1.00 0.00 O ATOM 0 H ASP A 10 21.040 7.006 -9.421 1.00 0.00 H new ATOM 0 HA ASP A 10 18.586 6.084 -8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 10 19.325 7.474 -6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.676 6.497 -6.821 1.00 0.00 H new ATOM 105 N GLU A 11 17.820 7.986 -10.021 1.00 0.00 N ATOM 106 CA GLU A 11 16.968 9.034 -10.573 1.00 0.00 C ATOM 107 C GLU A 11 15.555 8.940 -10.005 1.00 0.00 C ATOM 108 O GLU A 11 14.944 9.952 -9.661 1.00 0.00 O ATOM 109 CB GLU A 11 16.925 8.935 -12.099 1.00 0.00 C ATOM 110 CG GLU A 11 18.231 9.323 -12.772 1.00 0.00 C ATOM 111 CD GLU A 11 18.041 9.742 -14.216 1.00 0.00 C ATOM 112 OE1 GLU A 11 17.788 8.860 -15.063 1.00 0.00 O ATOM 113 OE2 GLU A 11 18.146 10.954 -14.500 1.00 0.00 O ATOM 0 H GLU A 11 17.955 7.184 -10.636 1.00 0.00 H new ATOM 0 HA GLU A 11 17.391 9.998 -10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.670 7.913 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.128 9.577 -12.474 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.692 10.141 -12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.921 8.481 -12.730 1.00 0.00 H new ATOM 120 N LYS A 12 15.041 7.719 -9.911 1.00 0.00 N ATOM 121 CA LYS A 12 13.700 7.491 -9.385 1.00 0.00 C ATOM 122 C LYS A 12 13.557 8.082 -7.986 1.00 0.00 C ATOM 123 O LYS A 12 12.724 8.953 -7.737 1.00 0.00 O ATOM 124 CB LYS A 12 13.391 5.992 -9.352 1.00 0.00 C ATOM 125 CG LYS A 12 12.664 5.493 -10.588 1.00 0.00 C ATOM 126 CD LYS A 12 11.234 6.005 -10.639 1.00 0.00 C ATOM 127 CE LYS A 12 10.308 5.159 -9.779 1.00 0.00 C ATOM 128 NZ LYS A 12 8.879 5.349 -10.149 1.00 0.00 N ATOM 0 H LYS A 12 15.533 6.871 -10.192 1.00 0.00 H new ATOM 0 HA LYS A 12 12.988 7.988 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.324 5.440 -9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.786 5.774 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.199 5.816 -11.481 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.662 4.403 -10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.205 7.040 -10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.881 5.999 -11.670 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.574 4.107 -9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.449 5.419 -8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.281 4.755 -9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.618 6.348 -10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.739 5.077 -11.143 1.00 0.00 H new ATOM 142 N PRO A 13 14.388 7.599 -7.051 1.00 0.00 N ATOM 143 CA PRO A 13 14.373 8.067 -5.662 1.00 0.00 C ATOM 144 C PRO A 13 14.892 9.494 -5.526 1.00 0.00 C ATOM 145 O PRO A 13 15.873 9.873 -6.166 1.00 0.00 O ATOM 146 CB PRO A 13 15.309 7.087 -4.948 1.00 0.00 C ATOM 147 CG PRO A 13 16.222 6.590 -6.015 1.00 0.00 C ATOM 148 CD PRO A 13 15.405 6.559 -7.277 1.00 0.00 C ATOM 0 HA PRO A 13 13.364 8.091 -5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.864 7.580 -4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.752 6.269 -4.491 1.00 0.00 H new ATOM 0 HG2 PRO A 13 17.086 7.245 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.603 5.598 -5.772 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.013 6.776 -8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.951 5.581 -7.438 1.00 0.00 H new ATOM 156 N LYS A 14 14.228 10.283 -4.688 1.00 0.00 N ATOM 157 CA LYS A 14 14.622 11.669 -4.465 1.00 0.00 C ATOM 158 C LYS A 14 14.274 12.113 -3.048 1.00 0.00 C ATOM 159 O LYS A 14 13.399 11.535 -2.405 1.00 0.00 O ATOM 160 CB LYS A 14 13.937 12.585 -5.482 1.00 0.00 C ATOM 161 CG LYS A 14 14.730 12.771 -6.764 1.00 0.00 C ATOM 162 CD LYS A 14 13.887 13.417 -7.851 1.00 0.00 C ATOM 163 CE LYS A 14 14.510 13.226 -9.226 1.00 0.00 C ATOM 164 NZ LYS A 14 13.489 13.277 -10.309 1.00 0.00 N ATOM 0 H LYS A 14 13.413 9.986 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 14 15.702 11.739 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.958 12.174 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.768 13.560 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.605 13.389 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.095 11.804 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.886 12.986 -7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.778 14.482 -7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.259 14.000 -9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.028 12.268 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.953 13.143 -11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.788 12.523 -10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.012 14.201 -10.293 1.00 0.00 H new ATOM 178 N GLU A 15 14.963 13.144 -2.569 1.00 0.00 N ATOM 179 CA GLU A 15 14.725 13.665 -1.229 1.00 0.00 C ATOM 180 C GLU A 15 13.357 14.335 -1.141 1.00 0.00 C ATOM 181 O GLU A 15 12.632 14.424 -2.131 1.00 0.00 O ATOM 182 CB GLU A 15 15.819 14.662 -0.843 1.00 0.00 C ATOM 183 CG GLU A 15 15.902 15.863 -1.769 1.00 0.00 C ATOM 184 CD GLU A 15 14.715 16.795 -1.625 1.00 0.00 C ATOM 185 OE1 GLU A 15 14.380 17.157 -0.477 1.00 0.00 O ATOM 186 OE2 GLU A 15 14.120 17.162 -2.660 1.00 0.00 O ATOM 0 H GLU A 15 15.690 13.635 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 15 14.746 12.827 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.639 15.010 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.781 14.150 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.819 16.414 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.965 15.518 -2.801 1.00 0.00 H new ATOM 193 N GLY A 16 13.010 14.805 0.054 1.00 0.00 N ATOM 194 CA GLY A 16 11.730 15.461 0.250 1.00 0.00 C ATOM 195 C GLY A 16 11.313 15.494 1.707 1.00 0.00 C ATOM 196 O GLY A 16 10.976 16.552 2.239 1.00 0.00 O ATOM 0 H GLY A 16 13.592 14.743 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.785 16.480 -0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.967 14.943 -0.332 1.00 0.00 H new ATOM 200 N VAL A 17 11.334 14.333 2.354 1.00 0.00 N ATOM 201 CA VAL A 17 10.955 14.234 3.758 1.00 0.00 C ATOM 202 C VAL A 17 12.035 14.818 4.662 1.00 0.00 C ATOM 203 O VAL A 17 12.868 14.091 5.203 1.00 0.00 O ATOM 204 CB VAL A 17 10.695 12.772 4.167 1.00 0.00 C ATOM 205 CG1 VAL A 17 10.338 12.686 5.643 1.00 0.00 C ATOM 206 CG2 VAL A 17 9.595 12.167 3.308 1.00 0.00 C ATOM 0 H VAL A 17 11.609 13.448 1.928 1.00 0.00 H new ATOM 0 HA VAL A 17 10.036 14.807 3.878 1.00 0.00 H new ATOM 0 HB VAL A 17 11.608 12.199 4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.158 11.646 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.161 13.079 6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.439 13.272 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.424 11.134 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.676 12.739 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.895 12.194 2.260 1.00 0.00 H new ATOM 216 N LYS A 18 12.016 16.137 4.821 1.00 0.00 N ATOM 217 CA LYS A 18 12.992 16.821 5.661 1.00 0.00 C ATOM 218 C LYS A 18 12.300 17.749 6.654 1.00 0.00 C ATOM 219 O LYS A 18 11.086 17.948 6.592 1.00 0.00 O ATOM 220 CB LYS A 18 13.969 17.620 4.795 1.00 0.00 C ATOM 221 CG LYS A 18 15.155 16.806 4.308 1.00 0.00 C ATOM 222 CD LYS A 18 16.217 16.668 5.385 1.00 0.00 C ATOM 223 CE LYS A 18 17.131 17.884 5.427 1.00 0.00 C ATOM 224 NZ LYS A 18 18.186 17.821 4.379 1.00 0.00 N ATOM 0 H LYS A 18 11.335 16.754 4.379 1.00 0.00 H new ATOM 0 HA LYS A 18 13.545 16.067 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.435 18.019 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.335 18.473 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.817 15.816 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.588 17.282 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.738 16.538 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.810 15.772 5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.538 18.789 5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.598 17.953 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.788 18.667 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.768 16.971 4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.741 17.781 3.440 1.00 0.00 H new ATOM 238 N THR A 19 13.080 18.317 7.569 1.00 0.00 N ATOM 239 CA THR A 19 12.542 19.224 8.575 1.00 0.00 C ATOM 240 C THR A 19 11.186 18.744 9.080 1.00 0.00 C ATOM 241 O THR A 19 10.219 19.505 9.107 1.00 0.00 O ATOM 242 CB THR A 19 12.394 20.653 8.020 1.00 0.00 C ATOM 243 OG1 THR A 19 11.628 20.632 6.810 1.00 0.00 O ATOM 244 CG2 THR A 19 13.756 21.274 7.753 1.00 0.00 C ATOM 0 H THR A 19 14.086 18.165 7.634 1.00 0.00 H new ATOM 0 HA THR A 19 13.251 19.235 9.403 1.00 0.00 H new ATOM 0 HB THR A 19 11.877 21.257 8.766 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.537 21.545 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 19 13.625 22.283 7.362 1.00 0.00 H new ATOM 0 HG22 THR A 19 14.325 21.316 8.682 1.00 0.00 H new ATOM 0 HG23 THR A 19 14.295 20.669 7.024 1.00 0.00 H new ATOM 252 N GLU A 20 11.123 17.478 9.480 1.00 0.00 N ATOM 253 CA GLU A 20 9.884 16.897 9.984 1.00 0.00 C ATOM 254 C GLU A 20 10.173 15.733 10.927 1.00 0.00 C ATOM 255 O GLU A 20 11.032 14.897 10.652 1.00 0.00 O ATOM 256 CB GLU A 20 9.008 16.423 8.823 1.00 0.00 C ATOM 257 CG GLU A 20 8.273 17.549 8.115 1.00 0.00 C ATOM 258 CD GLU A 20 7.098 17.054 7.294 1.00 0.00 C ATOM 259 OE1 GLU A 20 6.418 16.108 7.744 1.00 0.00 O ATOM 260 OE2 GLU A 20 6.859 17.611 6.203 1.00 0.00 O ATOM 0 H GLU A 20 11.915 16.835 9.465 1.00 0.00 H new ATOM 0 HA GLU A 20 9.351 17.668 10.540 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.631 15.897 8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.279 15.705 9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.918 18.267 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.968 18.079 7.464 1.00 0.00 H new ATOM 267 N ASN A 21 9.448 15.686 12.040 1.00 0.00 N ATOM 268 CA ASN A 21 9.626 14.625 13.024 1.00 0.00 C ATOM 269 C ASN A 21 9.764 13.267 12.342 1.00 0.00 C ATOM 270 O ASN A 21 9.398 13.106 11.179 1.00 0.00 O ATOM 271 CB ASN A 21 8.447 14.602 13.999 1.00 0.00 C ATOM 272 CG ASN A 21 8.673 15.499 15.201 1.00 0.00 C ATOM 273 OD1 ASN A 21 7.873 16.391 15.482 1.00 0.00 O ATOM 274 ND2 ASN A 21 9.768 15.266 15.916 1.00 0.00 N ATOM 0 H ASN A 21 8.732 16.370 12.283 1.00 0.00 H new ATOM 0 HA ASN A 21 10.543 14.828 13.578 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.543 14.917 13.479 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.280 13.580 14.338 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.973 15.838 16.735 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.403 14.515 15.646 1.00 0.00 H new ATOM 281 N ASN A 22 10.293 12.294 13.075 1.00 0.00 N ATOM 282 CA ASN A 22 10.479 10.949 12.541 1.00 0.00 C ATOM 283 C ASN A 22 9.644 9.935 13.318 1.00 0.00 C ATOM 284 O ASN A 22 10.109 8.837 13.623 1.00 0.00 O ATOM 285 CB ASN A 22 11.957 10.557 12.594 1.00 0.00 C ATOM 286 CG ASN A 22 12.831 11.484 11.772 1.00 0.00 C ATOM 287 OD1 ASN A 22 12.819 12.700 11.966 1.00 0.00 O ATOM 288 ND2 ASN A 22 13.595 10.913 10.848 1.00 0.00 N ATOM 0 H ASN A 22 10.601 12.411 14.040 1.00 0.00 H new ATOM 0 HA ASN A 22 10.147 10.948 11.503 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.296 10.567 13.630 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.072 9.536 12.230 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.204 11.486 10.264 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.573 9.901 10.722 1.00 0.00 H new ATOM 295 N ASP A 23 8.410 10.312 13.635 1.00 0.00 N ATOM 296 CA ASP A 23 7.509 9.435 14.374 1.00 0.00 C ATOM 297 C ASP A 23 6.768 8.496 13.428 1.00 0.00 C ATOM 298 O ASP A 23 5.652 8.061 13.716 1.00 0.00 O ATOM 299 CB ASP A 23 6.507 10.262 15.181 1.00 0.00 C ATOM 300 CG ASP A 23 7.011 10.586 16.573 1.00 0.00 C ATOM 301 OD1 ASP A 23 7.979 11.367 16.688 1.00 0.00 O ATOM 302 OD2 ASP A 23 6.438 10.057 17.550 1.00 0.00 O ATOM 0 H ASP A 23 8.011 11.219 13.392 1.00 0.00 H new ATOM 0 HA ASP A 23 8.107 8.834 15.059 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.295 11.190 14.650 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.567 9.716 15.256 1.00 0.00 H new ATOM 307 N HIS A 24 7.395 8.186 12.298 1.00 0.00 N ATOM 308 CA HIS A 24 6.795 7.298 11.309 1.00 0.00 C ATOM 309 C HIS A 24 7.746 6.159 10.953 1.00 0.00 C ATOM 310 O HIS A 24 8.961 6.284 11.103 1.00 0.00 O ATOM 311 CB HIS A 24 6.422 8.080 10.049 1.00 0.00 C ATOM 312 CG HIS A 24 5.318 9.068 10.263 1.00 0.00 C ATOM 313 ND1 HIS A 24 5.349 10.030 11.250 1.00 0.00 N ATOM 314 CD2 HIS A 24 4.146 9.242 9.607 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.243 10.751 11.194 1.00 0.00 C ATOM 316 NE2 HIS A 24 3.497 10.294 10.205 1.00 0.00 N ATOM 0 H HIS A 24 8.319 8.537 12.044 1.00 0.00 H new ATOM 0 HA HIS A 24 5.891 6.870 11.742 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.304 8.606 9.684 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.124 7.378 9.270 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.788 8.661 8.769 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.992 11.574 11.846 1.00 0.00 H new ATOM 0 HE2 HIS A 24 2.587 10.663 9.930 1.00 0.00 H new ATOM 325 N ILE A 25 7.184 5.051 10.483 1.00 0.00 N ATOM 326 CA ILE A 25 7.982 3.891 10.105 1.00 0.00 C ATOM 327 C ILE A 25 7.950 3.668 8.597 1.00 0.00 C ATOM 328 O ILE A 25 6.892 3.733 7.973 1.00 0.00 O ATOM 329 CB ILE A 25 7.490 2.614 10.812 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.074 2.264 10.351 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.531 2.795 12.322 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.491 1.056 11.051 1.00 0.00 C ATOM 0 H ILE A 25 6.179 4.932 10.355 1.00 0.00 H new ATOM 0 HA ILE A 25 9.006 4.098 10.417 1.00 0.00 H new ATOM 0 HB ILE A 25 8.153 1.791 10.546 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.423 3.122 10.521 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.085 2.081 9.277 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.180 1.884 12.807 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.554 3.003 12.636 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.888 3.628 12.606 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.486 0.867 10.674 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.120 0.186 10.860 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.447 1.243 12.124 1.00 0.00 H new ATOM 344 N ASN A 26 9.116 3.403 8.018 1.00 0.00 N ATOM 345 CA ASN A 26 9.222 3.169 6.583 1.00 0.00 C ATOM 346 C ASN A 26 9.203 1.676 6.272 1.00 0.00 C ATOM 347 O ASN A 26 10.023 0.913 6.787 1.00 0.00 O ATOM 348 CB ASN A 26 10.504 3.800 6.035 1.00 0.00 C ATOM 349 CG ASN A 26 10.775 5.168 6.630 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.912 5.756 7.281 1.00 0.00 O ATOM 351 ND2 ASN A 26 11.979 5.681 6.407 1.00 0.00 N ATOM 0 H ASN A 26 10.001 3.345 8.521 1.00 0.00 H new ATOM 0 HA ASN A 26 8.362 3.633 6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.348 3.142 6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.428 3.887 4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.220 6.599 6.781 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.663 5.157 5.861 1.00 0.00 H new ATOM 358 N LEU A 27 8.264 1.264 5.427 1.00 0.00 N ATOM 359 CA LEU A 27 8.139 -0.138 5.047 1.00 0.00 C ATOM 360 C LEU A 27 8.450 -0.331 3.566 1.00 0.00 C ATOM 361 O LEU A 27 7.891 0.354 2.709 1.00 0.00 O ATOM 362 CB LEU A 27 6.729 -0.647 5.354 1.00 0.00 C ATOM 363 CG LEU A 27 6.035 -0.011 6.559 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.573 -0.428 6.613 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.748 -0.393 7.848 1.00 0.00 C ATOM 0 H LEU A 27 7.578 1.881 4.992 1.00 0.00 H new ATOM 0 HA LEU A 27 8.860 -0.712 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.106 -0.486 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.780 -1.724 5.515 1.00 0.00 H new ATOM 0 HG LEU A 27 6.080 1.073 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.095 0.034 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.068 -0.104 5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.507 -1.513 6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.240 0.068 8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.735 -1.477 7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.780 -0.045 7.810 1.00 0.00 H new ATOM 377 N LYS A 28 9.343 -1.269 3.271 1.00 0.00 N ATOM 378 CA LYS A 28 9.726 -1.556 1.894 1.00 0.00 C ATOM 379 C LYS A 28 8.871 -2.677 1.313 1.00 0.00 C ATOM 380 O LYS A 28 9.010 -3.839 1.694 1.00 0.00 O ATOM 381 CB LYS A 28 11.206 -1.940 1.824 1.00 0.00 C ATOM 382 CG LYS A 28 12.143 -0.839 2.289 1.00 0.00 C ATOM 383 CD LYS A 28 13.563 -1.352 2.464 1.00 0.00 C ATOM 384 CE LYS A 28 14.304 -0.584 3.547 1.00 0.00 C ATOM 385 NZ LYS A 28 15.779 -0.747 3.432 1.00 0.00 N ATOM 0 H LYS A 28 9.816 -1.844 3.968 1.00 0.00 H new ATOM 0 HA LYS A 28 9.562 -0.655 1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.371 -2.828 2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.455 -2.208 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.136 -0.024 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.784 -0.429 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.539 -2.411 2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.102 -1.264 1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.049 0.474 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.976 -0.930 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.248 -0.208 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.025 -1.754 3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.096 -0.393 2.507 1.00 0.00 H new ATOM 399 N VAL A 29 7.986 -2.321 0.387 1.00 0.00 N ATOM 400 CA VAL A 29 7.109 -3.298 -0.248 1.00 0.00 C ATOM 401 C VAL A 29 7.742 -3.862 -1.515 1.00 0.00 C ATOM 402 O VAL A 29 8.141 -3.114 -2.408 1.00 0.00 O ATOM 403 CB VAL A 29 5.743 -2.680 -0.601 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.758 -3.764 -1.013 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.204 -1.876 0.572 1.00 0.00 C ATOM 0 H VAL A 29 7.857 -1.363 0.060 1.00 0.00 H new ATOM 0 HA VAL A 29 6.960 -4.104 0.470 1.00 0.00 H new ATOM 0 HB VAL A 29 5.876 -2.003 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.798 -3.309 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.143 -4.293 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.626 -4.467 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.238 -1.446 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.084 -2.529 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.902 -1.075 0.816 1.00 0.00 H new ATOM 415 N ALA A 30 7.831 -5.186 -1.588 1.00 0.00 N ATOM 416 CA ALA A 30 8.413 -5.850 -2.747 1.00 0.00 C ATOM 417 C ALA A 30 7.337 -6.526 -3.590 1.00 0.00 C ATOM 418 O ALA A 30 6.392 -7.108 -3.058 1.00 0.00 O ATOM 419 CB ALA A 30 9.455 -6.866 -2.304 1.00 0.00 C ATOM 0 H ALA A 30 7.507 -5.820 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 30 8.898 -5.093 -3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.882 -7.355 -3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.245 -6.359 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.986 -7.613 -1.664 1.00 0.00 H new ATOM 425 N GLY A 31 7.487 -6.445 -4.909 1.00 0.00 N ATOM 426 CA GLY A 31 6.520 -7.053 -5.804 1.00 0.00 C ATOM 427 C GLY A 31 7.172 -7.932 -6.851 1.00 0.00 C ATOM 428 O GLY A 31 6.615 -8.143 -7.928 1.00 0.00 O ATOM 0 H GLY A 31 8.261 -5.969 -5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.815 -7.648 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.945 -6.270 -6.298 1.00 0.00 H new ATOM 432 N GLN A 32 8.357 -8.445 -6.536 1.00 0.00 N ATOM 433 CA GLN A 32 9.087 -9.305 -7.461 1.00 0.00 C ATOM 434 C GLN A 32 8.937 -8.812 -8.896 1.00 0.00 C ATOM 435 O GLN A 32 8.888 -9.608 -9.834 1.00 0.00 O ATOM 436 CB GLN A 32 8.590 -10.747 -7.350 1.00 0.00 C ATOM 437 CG GLN A 32 9.580 -11.775 -7.874 1.00 0.00 C ATOM 438 CD GLN A 32 10.768 -11.964 -6.951 1.00 0.00 C ATOM 439 OE1 GLN A 32 10.752 -11.525 -5.801 1.00 0.00 O ATOM 440 NE2 GLN A 32 11.808 -12.621 -7.451 1.00 0.00 N ATOM 0 H GLN A 32 8.832 -8.280 -5.648 1.00 0.00 H new ATOM 0 HA GLN A 32 10.143 -9.271 -7.193 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.370 -10.967 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.654 -10.843 -7.900 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.071 -12.730 -8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.934 -11.465 -8.857 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.779 -12.968 -8.410 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.636 -12.779 -6.876 1.00 0.00 H new ATOM 449 N ASP A 33 8.865 -7.496 -9.060 1.00 0.00 N ATOM 450 CA ASP A 33 8.721 -6.897 -10.382 1.00 0.00 C ATOM 451 C ASP A 33 10.055 -6.344 -10.875 1.00 0.00 C ATOM 452 O ASP A 33 10.381 -6.445 -12.057 1.00 0.00 O ATOM 453 CB ASP A 33 7.674 -5.782 -10.349 1.00 0.00 C ATOM 454 CG ASP A 33 7.260 -5.336 -11.737 1.00 0.00 C ATOM 455 OD1 ASP A 33 6.767 -6.184 -12.511 1.00 0.00 O ATOM 456 OD2 ASP A 33 7.428 -4.139 -12.050 1.00 0.00 O ATOM 0 H ASP A 33 8.904 -6.823 -8.294 1.00 0.00 H new ATOM 0 HA ASP A 33 8.392 -7.674 -11.072 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.795 -6.128 -9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.073 -4.929 -9.800 1.00 0.00 H new ATOM 461 N GLY A 34 10.822 -5.759 -9.961 1.00 0.00 N ATOM 462 CA GLY A 34 12.111 -5.198 -10.323 1.00 0.00 C ATOM 463 C GLY A 34 12.468 -3.982 -9.491 1.00 0.00 C ATOM 464 O GLY A 34 13.636 -3.603 -9.404 1.00 0.00 O ATOM 0 H GLY A 34 10.574 -5.663 -8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.882 -5.958 -10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.101 -4.923 -11.378 1.00 0.00 H new ATOM 468 N SER A 35 11.460 -3.368 -8.880 1.00 0.00 N ATOM 469 CA SER A 35 11.673 -2.184 -8.056 1.00 0.00 C ATOM 470 C SER A 35 11.074 -2.375 -6.666 1.00 0.00 C ATOM 471 O SER A 35 10.484 -3.414 -6.369 1.00 0.00 O ATOM 472 CB SER A 35 11.058 -0.953 -8.724 1.00 0.00 C ATOM 473 OG SER A 35 11.640 0.240 -8.230 1.00 0.00 O ATOM 0 H SER A 35 10.488 -3.671 -8.940 1.00 0.00 H new ATOM 0 HA SER A 35 12.747 -2.033 -7.952 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.201 -1.011 -9.803 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.983 -0.938 -8.546 1.00 0.00 H new ATOM 0 HG SER A 35 11.231 1.012 -8.674 1.00 0.00 H new ATOM 479 N VAL A 36 11.231 -1.365 -5.816 1.00 0.00 N ATOM 480 CA VAL A 36 10.706 -1.420 -4.457 1.00 0.00 C ATOM 481 C VAL A 36 9.894 -0.171 -4.131 1.00 0.00 C ATOM 482 O VAL A 36 10.313 0.949 -4.423 1.00 0.00 O ATOM 483 CB VAL A 36 11.838 -1.567 -3.423 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.281 -1.500 -2.009 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.596 -2.867 -3.646 1.00 0.00 C ATOM 0 H VAL A 36 11.718 -0.498 -6.045 1.00 0.00 H new ATOM 0 HA VAL A 36 10.059 -2.296 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 36 12.536 -0.740 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.095 -1.606 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.786 -0.540 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.562 -2.306 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.392 -2.955 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.912 -3.709 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.028 -2.869 -4.647 1.00 0.00 H new ATOM 495 N VAL A 37 8.729 -0.371 -3.524 1.00 0.00 N ATOM 496 CA VAL A 37 7.858 0.738 -3.156 1.00 0.00 C ATOM 497 C VAL A 37 7.865 0.966 -1.648 1.00 0.00 C ATOM 498 O VAL A 37 7.540 0.067 -0.874 1.00 0.00 O ATOM 499 CB VAL A 37 6.410 0.493 -3.620 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.627 1.797 -3.640 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.395 -0.169 -4.990 1.00 0.00 C ATOM 0 H VAL A 37 8.366 -1.292 -3.277 1.00 0.00 H new ATOM 0 HA VAL A 37 8.247 1.625 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 37 5.929 -0.180 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.606 1.604 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.609 2.226 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.104 2.497 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.364 -0.335 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.894 0.478 -5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.917 -1.125 -4.938 1.00 0.00 H new ATOM 511 N GLN A 38 8.237 2.175 -1.240 1.00 0.00 N ATOM 512 CA GLN A 38 8.287 2.521 0.175 1.00 0.00 C ATOM 513 C GLN A 38 7.056 3.325 0.583 1.00 0.00 C ATOM 514 O GLN A 38 6.354 3.877 -0.265 1.00 0.00 O ATOM 515 CB GLN A 38 9.556 3.318 0.483 1.00 0.00 C ATOM 516 CG GLN A 38 10.818 2.470 0.496 1.00 0.00 C ATOM 517 CD GLN A 38 12.070 3.283 0.231 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.195 3.931 -0.808 1.00 0.00 O ATOM 519 NE2 GLN A 38 13.005 3.254 1.173 1.00 0.00 N ATOM 0 H GLN A 38 8.508 2.931 -1.869 1.00 0.00 H new ATOM 0 HA GLN A 38 8.300 1.594 0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.667 4.109 -0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.444 3.803 1.453 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.909 1.975 1.463 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.732 1.686 -0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.860 2.703 2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.869 3.783 1.051 1.00 0.00 H new ATOM 528 N PHE A 39 6.801 3.387 1.885 1.00 0.00 N ATOM 529 CA PHE A 39 5.654 4.123 2.405 1.00 0.00 C ATOM 530 C PHE A 39 5.904 4.577 3.840 1.00 0.00 C ATOM 531 O PHE A 39 6.280 3.779 4.700 1.00 0.00 O ATOM 532 CB PHE A 39 4.395 3.256 2.345 1.00 0.00 C ATOM 533 CG PHE A 39 4.013 2.849 0.950 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.662 1.801 0.318 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.005 3.515 0.271 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.313 1.426 -0.966 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.652 3.144 -1.012 1.00 0.00 C ATOM 538 CZ PHE A 39 3.306 2.097 -1.631 1.00 0.00 C ATOM 0 H PHE A 39 7.373 2.937 2.600 1.00 0.00 H new ATOM 0 HA PHE A 39 5.509 5.006 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.551 2.360 2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.566 3.802 2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.449 1.271 0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.489 4.334 0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.828 0.609 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.865 3.672 -1.530 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.030 1.804 -2.633 1.00 0.00 H new ATOM 548 N LYS A 40 5.693 5.864 4.092 1.00 0.00 N ATOM 549 CA LYS A 40 5.894 6.427 5.422 1.00 0.00 C ATOM 550 C LYS A 40 4.558 6.740 6.089 1.00 0.00 C ATOM 551 O LYS A 40 3.876 7.694 5.715 1.00 0.00 O ATOM 552 CB LYS A 40 6.744 7.697 5.338 1.00 0.00 C ATOM 553 CG LYS A 40 6.854 8.443 6.656 1.00 0.00 C ATOM 554 CD LYS A 40 7.331 9.871 6.450 1.00 0.00 C ATOM 555 CE LYS A 40 7.893 10.462 7.734 1.00 0.00 C ATOM 556 NZ LYS A 40 9.090 9.714 8.210 1.00 0.00 N ATOM 0 H LYS A 40 5.382 6.538 3.392 1.00 0.00 H new ATOM 0 HA LYS A 40 6.417 5.686 6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.744 7.433 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.315 8.362 4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.884 8.451 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.546 7.919 7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.096 9.892 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.502 10.485 6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.159 11.506 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.125 10.448 8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.454 10.157 9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.827 8.728 8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.826 9.734 7.476 1.00 0.00 H new ATOM 570 N ILE A 41 4.191 5.931 7.077 1.00 0.00 N ATOM 571 CA ILE A 41 2.938 6.124 7.796 1.00 0.00 C ATOM 572 C ILE A 41 3.164 6.120 9.304 1.00 0.00 C ATOM 573 O ILE A 41 4.277 5.887 9.777 1.00 0.00 O ATOM 574 CB ILE A 41 1.910 5.034 7.439 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.205 3.750 8.218 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.921 4.766 5.942 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.264 2.613 7.886 1.00 0.00 C ATOM 0 H ILE A 41 4.743 5.136 7.398 1.00 0.00 H new ATOM 0 HA ILE A 41 2.546 7.095 7.492 1.00 0.00 H new ATOM 0 HB ILE A 41 0.917 5.386 7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.228 3.436 8.012 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.145 3.960 9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.189 3.993 5.705 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.668 5.681 5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.913 4.431 5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.532 1.735 8.475 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.241 2.908 8.119 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.341 2.375 6.825 1.00 0.00 H new ATOM 589 N LYS A 42 2.099 6.378 10.057 1.00 0.00 N ATOM 590 CA LYS A 42 2.178 6.402 11.512 1.00 0.00 C ATOM 591 C LYS A 42 1.972 5.006 12.091 1.00 0.00 C ATOM 592 O LYS A 42 1.343 4.151 11.466 1.00 0.00 O ATOM 593 CB LYS A 42 1.134 7.363 12.085 1.00 0.00 C ATOM 594 CG LYS A 42 1.170 8.745 11.457 1.00 0.00 C ATOM 595 CD LYS A 42 -0.033 9.577 11.870 1.00 0.00 C ATOM 596 CE LYS A 42 -0.053 10.920 11.156 1.00 0.00 C ATOM 597 NZ LYS A 42 0.808 11.925 11.840 1.00 0.00 N ATOM 0 H LYS A 42 1.171 6.573 9.682 1.00 0.00 H new ATOM 0 HA LYS A 42 3.173 6.749 11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.142 6.935 11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.290 7.457 13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.086 9.256 11.753 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.194 8.652 10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.949 9.031 11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.013 9.737 12.948 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.287 10.790 10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.077 11.291 11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.468 12.882 11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.769 11.773 12.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.790 11.822 11.512 1.00 0.00 H new ATOM 611 N ARG A 43 2.503 4.782 13.289 1.00 0.00 N ATOM 612 CA ARG A 43 2.376 3.490 13.951 1.00 0.00 C ATOM 613 C ARG A 43 0.925 3.215 14.334 1.00 0.00 C ATOM 614 O ARG A 43 0.515 2.062 14.469 1.00 0.00 O ATOM 615 CB ARG A 43 3.261 3.443 15.198 1.00 0.00 C ATOM 616 CG ARG A 43 2.937 4.524 16.216 1.00 0.00 C ATOM 617 CD ARG A 43 4.151 4.876 17.061 1.00 0.00 C ATOM 618 NE ARG A 43 4.952 5.936 16.454 1.00 0.00 N ATOM 619 CZ ARG A 43 5.886 6.617 17.108 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.136 6.350 18.383 1.00 0.00 N ATOM 621 NH2 ARG A 43 6.573 7.567 16.487 1.00 0.00 N ATOM 0 H ARG A 43 3.025 5.479 13.820 1.00 0.00 H new ATOM 0 HA ARG A 43 2.702 2.719 13.253 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.156 2.467 15.671 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.304 3.540 14.897 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.581 5.416 15.700 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.128 4.185 16.863 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.824 5.191 18.052 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.768 3.988 17.197 1.00 0.00 H new ATOM 0 HE ARG A 43 4.785 6.166 15.474 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.610 5.620 18.864 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.854 6.875 18.883 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.384 7.775 15.506 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.290 8.090 16.990 1.00 0.00 H new ATOM 635 N HIS A 44 0.152 4.282 14.508 1.00 0.00 N ATOM 636 CA HIS A 44 -1.254 4.157 14.875 1.00 0.00 C ATOM 637 C HIS A 44 -2.147 4.239 13.641 1.00 0.00 C ATOM 638 O HIS A 44 -3.348 3.975 13.711 1.00 0.00 O ATOM 639 CB HIS A 44 -1.642 5.247 15.874 1.00 0.00 C ATOM 640 CG HIS A 44 -2.064 6.530 15.226 1.00 0.00 C ATOM 641 ND1 HIS A 44 -3.380 6.936 15.148 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.336 7.500 14.625 1.00 0.00 C ATOM 643 CE1 HIS A 44 -3.443 8.100 14.526 1.00 0.00 C ATOM 644 NE2 HIS A 44 -2.216 8.464 14.199 1.00 0.00 N ATOM 0 H HIS A 44 0.476 5.243 14.401 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.397 3.182 15.341 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.455 4.881 16.501 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.796 5.443 16.532 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.179 6.419 15.513 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.263 7.513 14.503 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.344 8.659 14.320 1.00 0.00 H new ATOM 653 N THR A 45 -1.554 4.610 12.510 1.00 0.00 N ATOM 654 CA THR A 45 -2.295 4.729 11.261 1.00 0.00 C ATOM 655 C THR A 45 -2.497 3.367 10.609 1.00 0.00 C ATOM 656 O THR A 45 -1.568 2.570 10.480 1.00 0.00 O ATOM 657 CB THR A 45 -1.576 5.660 10.268 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.824 7.029 10.610 1.00 0.00 O ATOM 659 CG2 THR A 45 -2.042 5.397 8.844 1.00 0.00 C ATOM 0 H THR A 45 -0.562 4.833 12.434 1.00 0.00 H new ATOM 0 HA THR A 45 -3.266 5.156 11.510 1.00 0.00 H new ATOM 0 HB THR A 45 -0.506 5.459 10.327 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.361 7.614 9.974 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.520 6.067 8.161 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.825 4.363 8.575 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.116 5.572 8.774 1.00 0.00 H new ATOM 667 N PRO A 46 -3.740 3.090 10.185 1.00 0.00 N ATOM 668 CA PRO A 46 -4.092 1.824 9.537 1.00 0.00 C ATOM 669 C PRO A 46 -3.484 1.696 8.145 1.00 0.00 C ATOM 670 O PRO A 46 -3.525 2.636 7.350 1.00 0.00 O ATOM 671 CB PRO A 46 -5.619 1.882 9.450 1.00 0.00 C ATOM 672 CG PRO A 46 -5.943 3.336 9.450 1.00 0.00 C ATOM 673 CD PRO A 46 -4.896 3.994 10.306 1.00 0.00 C ATOM 0 HA PRO A 46 -3.715 0.965 10.091 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.983 1.395 8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.083 1.373 10.295 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.929 3.739 8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.942 3.513 9.850 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.660 4.998 9.952 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.225 4.090 11.341 1.00 0.00 H new ATOM 681 N LEU A 47 -2.920 0.529 7.855 1.00 0.00 N ATOM 682 CA LEU A 47 -2.303 0.278 6.557 1.00 0.00 C ATOM 683 C LEU A 47 -3.232 0.698 5.422 1.00 0.00 C ATOM 684 O LEU A 47 -2.789 0.936 4.299 1.00 0.00 O ATOM 685 CB LEU A 47 -1.947 -1.203 6.417 1.00 0.00 C ATOM 686 CG LEU A 47 -1.035 -1.779 7.501 1.00 0.00 C ATOM 687 CD1 LEU A 47 -1.007 -3.297 7.424 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.371 -1.211 7.372 1.00 0.00 C ATOM 0 H LEU A 47 -2.877 -0.259 8.501 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.391 0.872 6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.872 -1.779 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.467 -1.351 5.450 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.434 -1.492 8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.353 -3.689 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.015 -3.687 7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.633 -3.605 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.006 -1.632 8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.779 -1.467 6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.337 -0.127 7.478 1.00 0.00 H new ATOM 700 N SER A 48 -4.523 0.790 5.725 1.00 0.00 N ATOM 701 CA SER A 48 -5.516 1.180 4.730 1.00 0.00 C ATOM 702 C SER A 48 -4.939 2.210 3.763 1.00 0.00 C ATOM 703 O SER A 48 -4.943 2.009 2.548 1.00 0.00 O ATOM 704 CB SER A 48 -6.760 1.748 5.415 1.00 0.00 C ATOM 705 OG SER A 48 -7.764 2.067 4.467 1.00 0.00 O ATOM 0 H SER A 48 -4.906 0.600 6.651 1.00 0.00 H new ATOM 0 HA SER A 48 -5.796 0.292 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.148 1.023 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.492 2.641 5.980 1.00 0.00 H new ATOM 0 HG SER A 48 -8.549 2.426 4.930 1.00 0.00 H new ATOM 711 N LYS A 49 -4.444 3.314 4.311 1.00 0.00 N ATOM 712 CA LYS A 49 -3.862 4.377 3.499 1.00 0.00 C ATOM 713 C LYS A 49 -2.645 3.871 2.732 1.00 0.00 C ATOM 714 O LYS A 49 -2.460 4.195 1.558 1.00 0.00 O ATOM 715 CB LYS A 49 -3.465 5.562 4.383 1.00 0.00 C ATOM 716 CG LYS A 49 -4.608 6.523 4.660 1.00 0.00 C ATOM 717 CD LYS A 49 -5.401 6.108 5.888 1.00 0.00 C ATOM 718 CE LYS A 49 -6.589 7.027 6.122 1.00 0.00 C ATOM 719 NZ LYS A 49 -7.803 6.560 5.398 1.00 0.00 N ATOM 0 H LYS A 49 -4.434 3.497 5.314 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.613 4.704 2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.081 5.185 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.652 6.106 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.212 7.528 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.270 6.562 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.751 5.083 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.752 6.121 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.801 7.081 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.337 8.036 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.591 7.213 5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.609 6.533 4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.059 5.607 5.728 1.00 0.00 H new ATOM 733 N LEU A 50 -1.818 3.075 3.401 1.00 0.00 N ATOM 734 CA LEU A 50 -0.619 2.523 2.781 1.00 0.00 C ATOM 735 C LEU A 50 -0.973 1.701 1.546 1.00 0.00 C ATOM 736 O LEU A 50 -0.449 1.940 0.458 1.00 0.00 O ATOM 737 CB LEU A 50 0.144 1.655 3.784 1.00 0.00 C ATOM 738 CG LEU A 50 1.005 0.540 3.188 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.935 1.097 2.122 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.801 -0.160 4.280 1.00 0.00 C ATOM 0 H LEU A 50 -1.956 2.798 4.373 1.00 0.00 H new ATOM 0 HA LEU A 50 0.015 3.354 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.786 2.303 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.577 1.205 4.467 1.00 0.00 H new ATOM 0 HG LEU A 50 0.346 -0.192 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.540 0.290 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.345 1.552 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.588 1.849 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.408 -0.950 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.450 0.561 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.116 -0.593 5.009 1.00 0.00 H new ATOM 752 N MET A 51 -1.867 0.734 1.722 1.00 0.00 N ATOM 753 CA MET A 51 -2.294 -0.121 0.620 1.00 0.00 C ATOM 754 C MET A 51 -2.885 0.709 -0.515 1.00 0.00 C ATOM 755 O MET A 51 -2.448 0.611 -1.662 1.00 0.00 O ATOM 756 CB MET A 51 -3.323 -1.143 1.108 1.00 0.00 C ATOM 757 CG MET A 51 -2.840 -1.979 2.282 1.00 0.00 C ATOM 758 SD MET A 51 -4.187 -2.518 3.353 1.00 0.00 S ATOM 759 CE MET A 51 -3.554 -4.092 3.927 1.00 0.00 C ATOM 0 H MET A 51 -2.310 0.523 2.616 1.00 0.00 H new ATOM 0 HA MET A 51 -1.418 -0.649 0.243 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.235 -0.619 1.396 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.584 -1.806 0.283 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.308 -2.853 1.906 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.126 -1.399 2.867 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.352 -4.834 3.908 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.741 -4.416 3.277 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.183 -3.985 4.946 1.00 0.00 H new ATOM 769 N LYS A 52 -3.880 1.527 -0.189 1.00 0.00 N ATOM 770 CA LYS A 52 -4.530 2.375 -1.180 1.00 0.00 C ATOM 771 C LYS A 52 -3.497 3.092 -2.044 1.00 0.00 C ATOM 772 O LYS A 52 -3.512 2.978 -3.269 1.00 0.00 O ATOM 773 CB LYS A 52 -5.433 3.400 -0.491 1.00 0.00 C ATOM 774 CG LYS A 52 -6.729 2.811 0.038 1.00 0.00 C ATOM 775 CD LYS A 52 -7.804 3.874 0.190 1.00 0.00 C ATOM 776 CE LYS A 52 -8.605 4.044 -1.092 1.00 0.00 C ATOM 777 NZ LYS A 52 -9.648 5.099 -0.959 1.00 0.00 N ATOM 0 H LYS A 52 -4.254 1.620 0.755 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.138 1.739 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.887 3.855 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.667 4.197 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.079 2.033 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.547 2.336 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.474 3.601 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.342 4.824 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.931 4.300 -1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.078 3.097 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.172 5.184 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.306 4.842 -0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.196 6.008 -0.735 1.00 0.00 H new ATOM 791 N ALA A 53 -2.600 3.830 -1.397 1.00 0.00 N ATOM 792 CA ALA A 53 -1.558 4.561 -2.107 1.00 0.00 C ATOM 793 C ALA A 53 -0.745 3.631 -3.000 1.00 0.00 C ATOM 794 O ALA A 53 -0.368 3.996 -4.114 1.00 0.00 O ATOM 795 CB ALA A 53 -0.649 5.275 -1.118 1.00 0.00 C ATOM 0 H ALA A 53 -2.574 3.937 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.039 5.303 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.125 5.817 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.236 5.977 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.184 4.543 -0.458 1.00 0.00 H new ATOM 801 N TYR A 54 -0.477 2.428 -2.504 1.00 0.00 N ATOM 802 CA TYR A 54 0.295 1.446 -3.257 1.00 0.00 C ATOM 803 C TYR A 54 -0.431 1.048 -4.538 1.00 0.00 C ATOM 804 O TYR A 54 0.197 0.698 -5.538 1.00 0.00 O ATOM 805 CB TYR A 54 0.556 0.206 -2.400 1.00 0.00 C ATOM 806 CG TYR A 54 1.363 -0.859 -3.107 1.00 0.00 C ATOM 807 CD1 TYR A 54 0.797 -1.637 -4.109 1.00 0.00 C ATOM 808 CD2 TYR A 54 2.692 -1.089 -2.772 1.00 0.00 C ATOM 809 CE1 TYR A 54 1.530 -2.612 -4.757 1.00 0.00 C ATOM 810 CE2 TYR A 54 3.433 -2.061 -3.415 1.00 0.00 C ATOM 811 CZ TYR A 54 2.848 -2.820 -4.407 1.00 0.00 C ATOM 812 OH TYR A 54 3.582 -3.790 -5.050 1.00 0.00 O ATOM 0 H TYR A 54 -0.783 2.109 -1.584 1.00 0.00 H new ATOM 0 HA TYR A 54 1.248 1.901 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.081 0.505 -1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.399 -0.219 -2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.234 -1.477 -4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.153 -0.497 -1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.074 -3.208 -5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.465 -2.226 -3.143 1.00 0.00 H new ATOM 0 HH TYR A 54 4.492 -3.807 -4.686 1.00 0.00 H new ATOM 822 N CYS A 55 -1.758 1.106 -4.501 1.00 0.00 N ATOM 823 CA CYS A 55 -2.572 0.752 -5.658 1.00 0.00 C ATOM 824 C CYS A 55 -2.635 1.907 -6.652 1.00 0.00 C ATOM 825 O CYS A 55 -2.307 1.746 -7.827 1.00 0.00 O ATOM 826 CB CYS A 55 -3.984 0.365 -5.216 1.00 0.00 C ATOM 827 SG CYS A 55 -4.033 -0.731 -3.779 1.00 0.00 S ATOM 0 H CYS A 55 -2.293 1.395 -3.682 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.107 -0.102 -6.150 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.543 1.272 -4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.493 -0.121 -6.048 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.128 -0.363 -2.922 1.00 0.00 H new ATOM 833 N GLU A 56 -3.061 3.071 -6.172 1.00 0.00 N ATOM 834 CA GLU A 56 -3.170 4.253 -7.020 1.00 0.00 C ATOM 835 C GLU A 56 -1.858 4.519 -7.753 1.00 0.00 C ATOM 836 O GLU A 56 -1.851 4.799 -8.951 1.00 0.00 O ATOM 837 CB GLU A 56 -3.557 5.474 -6.183 1.00 0.00 C ATOM 838 CG GLU A 56 -2.369 6.182 -5.553 1.00 0.00 C ATOM 839 CD GLU A 56 -2.782 7.346 -4.674 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.950 7.372 -4.234 1.00 0.00 O ATOM 841 OE2 GLU A 56 -1.936 8.230 -4.425 1.00 0.00 O ATOM 0 H GLU A 56 -3.336 3.221 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.948 4.068 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.097 6.180 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.242 5.161 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.798 5.468 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.707 6.543 -6.340 1.00 0.00 H new ATOM 848 N ARG A 57 -0.751 4.431 -7.023 1.00 0.00 N ATOM 849 CA ARG A 57 0.566 4.664 -7.602 1.00 0.00 C ATOM 850 C ARG A 57 0.713 3.930 -8.932 1.00 0.00 C ATOM 851 O ARG A 57 1.205 4.492 -9.910 1.00 0.00 O ATOM 852 CB ARG A 57 1.660 4.211 -6.633 1.00 0.00 C ATOM 853 CG ARG A 57 3.046 4.166 -7.257 1.00 0.00 C ATOM 854 CD ARG A 57 4.105 3.783 -6.235 1.00 0.00 C ATOM 855 NE ARG A 57 5.414 4.338 -6.569 1.00 0.00 N ATOM 856 CZ ARG A 57 5.677 5.640 -6.587 1.00 0.00 C ATOM 857 NH1 ARG A 57 4.726 6.516 -6.292 1.00 0.00 N ATOM 858 NH2 ARG A 57 6.893 6.068 -6.901 1.00 0.00 N ATOM 0 H ARG A 57 -0.740 4.200 -6.030 1.00 0.00 H new ATOM 0 HA ARG A 57 0.671 5.734 -7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.678 4.886 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.410 3.221 -6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.054 3.448 -8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.286 5.140 -7.684 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.802 4.136 -5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.176 2.697 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 57 6.167 3.691 -6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.790 6.191 -6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.931 7.515 -6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.627 5.397 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.094 7.068 -6.915 1.00 0.00 H new ATOM 872 N GLN A 58 0.284 2.673 -8.958 1.00 0.00 N ATOM 873 CA GLN A 58 0.369 1.862 -10.167 1.00 0.00 C ATOM 874 C GLN A 58 -0.962 1.854 -10.912 1.00 0.00 C ATOM 875 O GLN A 58 -1.099 1.210 -11.951 1.00 0.00 O ATOM 876 CB GLN A 58 0.781 0.431 -9.819 1.00 0.00 C ATOM 877 CG GLN A 58 2.045 0.349 -8.979 1.00 0.00 C ATOM 878 CD GLN A 58 3.294 0.684 -9.770 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.444 0.270 -10.921 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.200 1.437 -9.157 1.00 0.00 N ATOM 0 H GLN A 58 -0.126 2.194 -8.156 1.00 0.00 H new ATOM 0 HA GLN A 58 1.125 2.302 -10.817 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.035 -0.052 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.931 -0.130 -10.742 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.960 1.033 -8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.139 -0.656 -8.568 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.035 1.758 -8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.061 1.694 -9.640 1.00 0.00 H new ATOM 889 N GLY A 59 -1.941 2.574 -10.373 1.00 0.00 N ATOM 890 CA GLY A 59 -3.248 2.636 -11.000 1.00 0.00 C ATOM 891 C GLY A 59 -3.981 1.310 -10.944 1.00 0.00 C ATOM 892 O GLY A 59 -4.716 0.959 -11.868 1.00 0.00 O ATOM 0 H GLY A 59 -1.852 3.115 -9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.848 3.401 -10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.135 2.941 -12.040 1.00 0.00 H new ATOM 896 N LEU A 60 -3.780 0.570 -9.859 1.00 0.00 N ATOM 897 CA LEU A 60 -4.426 -0.726 -9.687 1.00 0.00 C ATOM 898 C LEU A 60 -5.429 -0.687 -8.538 1.00 0.00 C ATOM 899 O LEU A 60 -5.672 0.367 -7.949 1.00 0.00 O ATOM 900 CB LEU A 60 -3.378 -1.810 -9.427 1.00 0.00 C ATOM 901 CG LEU A 60 -2.048 -1.647 -10.162 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.931 -2.351 -9.407 1.00 0.00 C ATOM 903 CD2 LEU A 60 -2.154 -2.183 -11.582 1.00 0.00 C ATOM 0 H LEU A 60 -3.175 0.846 -9.085 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.963 -0.961 -10.606 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.177 -1.843 -8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.806 -2.774 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.811 -0.584 -10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.008 -2.224 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.839 -1.921 -8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.161 -3.413 -9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.198 -2.059 -12.090 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.415 -3.241 -11.553 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.926 -1.634 -12.122 1.00 0.00 H new ATOM 915 N SER A 61 -6.007 -1.841 -8.224 1.00 0.00 N ATOM 916 CA SER A 61 -6.985 -1.939 -7.147 1.00 0.00 C ATOM 917 C SER A 61 -6.432 -2.755 -5.983 1.00 0.00 C ATOM 918 O SER A 61 -5.613 -3.654 -6.175 1.00 0.00 O ATOM 919 CB SER A 61 -8.279 -2.573 -7.660 1.00 0.00 C ATOM 920 OG SER A 61 -9.152 -1.591 -8.192 1.00 0.00 O ATOM 0 H SER A 61 -5.815 -2.722 -8.700 1.00 0.00 H new ATOM 0 HA SER A 61 -7.199 -0.931 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.047 -3.312 -8.427 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.775 -3.103 -6.847 1.00 0.00 H new ATOM 0 HG SER A 61 -9.802 -2.019 -8.787 1.00 0.00 H new ATOM 926 N MET A 62 -6.886 -2.435 -4.776 1.00 0.00 N ATOM 927 CA MET A 62 -6.438 -3.140 -3.580 1.00 0.00 C ATOM 928 C MET A 62 -6.657 -4.643 -3.720 1.00 0.00 C ATOM 929 O MET A 62 -5.756 -5.438 -3.453 1.00 0.00 O ATOM 930 CB MET A 62 -7.178 -2.617 -2.347 1.00 0.00 C ATOM 931 CG MET A 62 -7.194 -1.101 -2.245 1.00 0.00 C ATOM 932 SD MET A 62 -7.901 -0.516 -0.693 1.00 0.00 S ATOM 933 CE MET A 62 -6.609 -0.971 0.461 1.00 0.00 C ATOM 0 H MET A 62 -7.563 -1.693 -4.600 1.00 0.00 H new ATOM 0 HA MET A 62 -5.370 -2.957 -3.459 1.00 0.00 H new ATOM 0 HB2 MET A 62 -8.205 -2.982 -2.368 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.711 -3.028 -1.452 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.176 -0.724 -2.341 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.766 -0.691 -3.077 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.006 -1.674 1.193 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.786 -1.437 -0.080 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.248 -0.079 0.973 1.00 0.00 H new ATOM 943 N ARG A 63 -7.859 -5.024 -4.140 1.00 0.00 N ATOM 944 CA ARG A 63 -8.196 -6.432 -4.314 1.00 0.00 C ATOM 945 C ARG A 63 -7.276 -7.089 -5.339 1.00 0.00 C ATOM 946 O ARG A 63 -6.744 -8.173 -5.104 1.00 0.00 O ATOM 947 CB ARG A 63 -9.654 -6.579 -4.754 1.00 0.00 C ATOM 948 CG ARG A 63 -9.949 -5.949 -6.105 1.00 0.00 C ATOM 949 CD ARG A 63 -11.443 -5.913 -6.389 1.00 0.00 C ATOM 950 NE ARG A 63 -11.726 -5.629 -7.793 1.00 0.00 N ATOM 951 CZ ARG A 63 -11.781 -4.402 -8.298 1.00 0.00 C ATOM 952 NH1 ARG A 63 -11.571 -3.350 -7.519 1.00 0.00 N ATOM 953 NH2 ARG A 63 -12.044 -4.225 -9.587 1.00 0.00 N ATOM 0 H ARG A 63 -8.615 -4.378 -4.366 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.060 -6.933 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.908 -7.638 -4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.299 -6.125 -4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.548 -4.936 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.442 -6.512 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.887 -6.870 -6.116 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.913 -5.154 -5.764 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.890 -6.416 -8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.366 -3.482 -6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.614 -2.409 -7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.204 -5.032 -10.190 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.086 -3.282 -9.974 1.00 0.00 H new ATOM 967 N GLN A 64 -7.094 -6.424 -6.476 1.00 0.00 N ATOM 968 CA GLN A 64 -6.240 -6.944 -7.536 1.00 0.00 C ATOM 969 C GLN A 64 -4.899 -7.408 -6.977 1.00 0.00 C ATOM 970 O GLN A 64 -4.262 -8.305 -7.531 1.00 0.00 O ATOM 971 CB GLN A 64 -6.016 -5.877 -8.610 1.00 0.00 C ATOM 972 CG GLN A 64 -5.226 -6.377 -9.808 1.00 0.00 C ATOM 973 CD GLN A 64 -5.216 -5.385 -10.955 1.00 0.00 C ATOM 974 OE1 GLN A 64 -6.190 -4.664 -11.176 1.00 0.00 O ATOM 975 NE2 GLN A 64 -4.113 -5.343 -11.692 1.00 0.00 N ATOM 0 H GLN A 64 -7.527 -5.524 -6.686 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.742 -7.801 -7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.983 -5.508 -8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.491 -5.031 -8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.200 -6.583 -9.502 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.652 -7.320 -10.152 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.330 -5.959 -11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.049 -4.695 -12.477 1.00 0.00 H new ATOM 984 N ILE A 65 -4.477 -6.793 -5.878 1.00 0.00 N ATOM 985 CA ILE A 65 -3.213 -7.144 -5.244 1.00 0.00 C ATOM 986 C ILE A 65 -3.433 -7.660 -3.826 1.00 0.00 C ATOM 987 O ILE A 65 -4.547 -7.616 -3.305 1.00 0.00 O ATOM 988 CB ILE A 65 -2.253 -5.940 -5.196 1.00 0.00 C ATOM 989 CG1 ILE A 65 -2.729 -4.921 -4.158 1.00 0.00 C ATOM 990 CG2 ILE A 65 -2.145 -5.294 -6.569 1.00 0.00 C ATOM 991 CD1 ILE A 65 -1.777 -3.762 -3.968 1.00 0.00 C ATOM 0 H ILE A 65 -4.992 -6.049 -5.408 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.765 -7.932 -5.850 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.264 -6.294 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.703 -4.535 -4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.869 -5.426 -3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.463 -4.445 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.765 -6.023 -7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.129 -4.951 -6.888 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.179 -3.080 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.809 -4.137 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.656 -3.232 -4.913 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.363 -8.148 -3.207 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.439 -8.672 -1.849 1.00 0.00 C ATOM 1005 C ARG A 66 -1.266 -8.177 -1.008 1.00 0.00 C ATOM 1006 O ARG A 66 -0.153 -8.018 -1.510 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.456 -10.202 -1.870 1.00 0.00 C ATOM 1008 CG ARG A 66 -1.872 -10.835 -0.618 1.00 0.00 C ATOM 1009 CD ARG A 66 -2.794 -10.660 0.578 1.00 0.00 C ATOM 1010 NE ARG A 66 -3.747 -11.760 0.699 1.00 0.00 N ATOM 1011 CZ ARG A 66 -4.888 -11.672 1.374 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -5.217 -10.542 1.985 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -5.704 -12.717 1.439 1.00 0.00 N ATOM 0 H ARG A 66 -1.433 -8.191 -3.624 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.364 -8.311 -1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.484 -10.544 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.897 -10.551 -2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.699 -11.897 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.903 -10.386 -0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.198 -10.594 1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.336 -9.719 0.483 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.525 -12.644 0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.593 -9.736 1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.094 -10.478 2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.455 -13.588 0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.580 -12.649 1.957 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.522 -7.935 0.273 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.488 -7.457 1.183 1.00 0.00 C ATOM 1029 C PHE A 67 -0.127 -8.529 2.207 1.00 0.00 C ATOM 1030 O PHE A 67 -0.995 -9.249 2.700 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.956 -6.189 1.899 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.112 -5.007 0.985 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.260 -4.848 0.227 1.00 0.00 C ATOM 1034 CD2 PHE A 67 -0.110 -4.055 0.885 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.406 -3.762 -0.616 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.250 -2.967 0.044 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.400 -2.820 -0.706 1.00 0.00 C ATOM 0 H PHE A 67 -2.437 -8.062 0.705 1.00 0.00 H new ATOM 0 HA PHE A 67 0.401 -7.227 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.910 -6.388 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.242 -5.940 2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.050 -5.581 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.791 -4.164 1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.305 -3.650 -1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.539 -2.233 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.513 -1.970 -1.362 1.00 0.00 H new ATOM 1047 N ARG A 68 1.161 -8.629 2.521 1.00 0.00 N ATOM 1048 CA ARG A 68 1.638 -9.614 3.484 1.00 0.00 C ATOM 1049 C ARG A 68 2.757 -9.034 4.345 1.00 0.00 C ATOM 1050 O ARG A 68 3.438 -8.090 3.944 1.00 0.00 O ATOM 1051 CB ARG A 68 2.134 -10.867 2.761 1.00 0.00 C ATOM 1052 CG ARG A 68 1.014 -11.762 2.257 1.00 0.00 C ATOM 1053 CD ARG A 68 0.629 -12.809 3.290 1.00 0.00 C ATOM 1054 NE ARG A 68 -0.650 -13.441 2.978 1.00 0.00 N ATOM 1055 CZ ARG A 68 -1.007 -14.640 3.427 1.00 0.00 C ATOM 1056 NH1 ARG A 68 -0.184 -15.332 4.204 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -2.188 -15.148 3.100 1.00 0.00 N ATOM 0 H ARG A 68 1.892 -8.040 2.123 1.00 0.00 H new ATOM 0 HA ARG A 68 0.805 -9.884 4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.756 -10.567 1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.769 -11.439 3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.143 -11.154 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.327 -12.255 1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.407 -13.571 3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.573 -12.344 4.274 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.305 -12.934 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.725 -14.944 4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.460 -16.252 4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.823 -14.618 2.503 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.461 -16.068 3.445 1.00 0.00 H new ATOM 1071 N PHE A 69 2.940 -9.605 5.531 1.00 0.00 N ATOM 1072 CA PHE A 69 3.975 -9.144 6.450 1.00 0.00 C ATOM 1073 C PHE A 69 4.517 -10.302 7.283 1.00 0.00 C ATOM 1074 O PHE A 69 3.791 -10.909 8.070 1.00 0.00 O ATOM 1075 CB PHE A 69 3.421 -8.055 7.370 1.00 0.00 C ATOM 1076 CG PHE A 69 4.461 -7.436 8.260 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.495 -6.687 7.722 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.405 -7.604 9.634 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.453 -6.116 8.538 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.360 -7.035 10.455 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.386 -6.291 9.906 1.00 0.00 C ATOM 0 H PHE A 69 2.385 -10.387 5.878 1.00 0.00 H new ATOM 0 HA PHE A 69 4.792 -8.730 5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.964 -7.275 6.762 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.631 -8.481 7.989 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.553 -6.548 6.653 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.606 -8.186 10.068 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.253 -5.533 8.106 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.304 -7.172 11.525 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.134 -5.847 10.546 1.00 0.00 H new ATOM 1091 N ASP A 70 5.799 -10.603 7.102 1.00 0.00 N ATOM 1092 CA ASP A 70 6.440 -11.687 7.836 1.00 0.00 C ATOM 1093 C ASP A 70 5.758 -13.020 7.543 1.00 0.00 C ATOM 1094 O ASP A 70 5.725 -13.912 8.390 1.00 0.00 O ATOM 1095 CB ASP A 70 6.408 -11.404 9.339 1.00 0.00 C ATOM 1096 CG ASP A 70 7.287 -12.354 10.127 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.516 -12.135 10.161 1.00 0.00 O ATOM 1098 OD2 ASP A 70 6.747 -13.317 10.709 1.00 0.00 O ATOM 0 H ASP A 70 6.414 -10.111 6.453 1.00 0.00 H new ATOM 0 HA ASP A 70 7.478 -11.750 7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.733 -10.379 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.382 -11.481 9.698 1.00 0.00 H new ATOM 1103 N GLY A 71 5.214 -13.148 6.337 1.00 0.00 N ATOM 1104 CA GLY A 71 4.539 -14.374 5.954 1.00 0.00 C ATOM 1105 C GLY A 71 3.158 -14.492 6.567 1.00 0.00 C ATOM 1106 O GLY A 71 2.701 -15.592 6.874 1.00 0.00 O ATOM 0 H GLY A 71 5.229 -12.424 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.456 -14.415 4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.143 -15.228 6.260 1.00 0.00 H new ATOM 1110 N GLN A 72 2.493 -13.355 6.747 1.00 0.00 N ATOM 1111 CA GLN A 72 1.157 -13.336 7.331 1.00 0.00 C ATOM 1112 C GLN A 72 0.251 -12.362 6.586 1.00 0.00 C ATOM 1113 O GLN A 72 0.667 -11.277 6.178 1.00 0.00 O ATOM 1114 CB GLN A 72 1.229 -12.955 8.811 1.00 0.00 C ATOM 1115 CG GLN A 72 1.883 -14.015 9.681 1.00 0.00 C ATOM 1116 CD GLN A 72 0.888 -15.030 10.210 1.00 0.00 C ATOM 1117 OE1 GLN A 72 0.310 -15.805 9.447 1.00 0.00 O ATOM 1118 NE2 GLN A 72 0.685 -15.032 11.522 1.00 0.00 N ATOM 0 H GLN A 72 2.857 -12.436 6.497 1.00 0.00 H new ATOM 0 HA GLN A 72 0.735 -14.337 7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.784 -12.022 8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.220 -12.767 9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.651 -14.531 9.104 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.385 -13.533 10.520 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.186 -14.372 12.117 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.028 -15.694 11.935 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.018 -12.755 6.402 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.010 -11.931 5.705 1.00 0.00 C ATOM 1129 C PRO A 73 -2.405 -10.697 6.509 1.00 0.00 C ATOM 1130 O PRO A 73 -3.039 -10.806 7.559 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.206 -12.872 5.547 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.062 -13.857 6.655 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.583 -14.035 6.861 1.00 0.00 C ATOM 0 HA PRO A 73 -1.628 -11.545 4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.149 -12.330 5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.196 -13.365 4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.542 -13.495 7.564 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.537 -14.804 6.399 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.343 -14.228 7.907 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.195 -14.875 6.285 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.028 -9.525 6.009 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.346 -8.271 6.680 1.00 0.00 C ATOM 1143 C ILE A 74 -3.548 -7.591 6.035 1.00 0.00 C ATOM 1144 O ILE A 74 -3.762 -7.700 4.828 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.149 -7.301 6.658 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.541 -7.239 5.255 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.103 -7.728 7.676 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.274 -5.990 5.005 1.00 0.00 C ATOM 0 H ILE A 74 -1.502 -9.418 5.142 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.584 -8.519 7.714 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.502 -6.305 6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.092 -8.113 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.342 -7.294 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.736 -7.033 7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.543 -7.726 8.673 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.249 -8.732 7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.674 -6.014 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.360 -5.112 5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.096 -5.943 5.719 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.330 -6.887 6.847 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.511 -6.187 6.355 1.00 0.00 C ATOM 1162 C ASN A 75 -5.389 -4.684 6.587 1.00 0.00 C ATOM 1163 O ASN A 75 -4.611 -4.238 7.429 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.769 -6.720 7.044 1.00 0.00 C ATOM 1165 CG ASN A 75 -6.690 -8.209 7.321 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -6.706 -8.639 8.474 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -6.603 -9.004 6.260 1.00 0.00 N ATOM 0 H ASN A 75 -4.167 -6.786 7.849 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.588 -6.366 5.283 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.920 -6.186 7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.637 -6.515 6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.546 -10.015 6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.593 -8.603 5.322 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.164 -3.910 5.834 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.142 -2.457 5.958 1.00 0.00 C ATOM 1176 C GLU A 76 -6.526 -2.026 7.371 1.00 0.00 C ATOM 1177 O GLU A 76 -5.906 -1.133 7.950 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.094 -1.822 4.943 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.487 -2.429 4.952 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.425 -1.750 3.973 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.963 -0.676 4.314 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -9.623 -2.293 2.866 1.00 0.00 O ATOM 0 H GLU A 76 -6.814 -4.264 5.132 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.127 -2.116 5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.171 -0.754 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.669 -1.925 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.419 -3.489 4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.903 -2.359 5.957 1.00 0.00 H new ATOM 1189 N THR A 77 -7.553 -2.666 7.920 1.00 0.00 N ATOM 1190 CA THR A 77 -8.022 -2.348 9.263 1.00 0.00 C ATOM 1191 C THR A 77 -6.883 -2.419 10.274 1.00 0.00 C ATOM 1192 O THR A 77 -6.691 -1.501 11.072 1.00 0.00 O ATOM 1193 CB THR A 77 -9.146 -3.303 9.706 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.660 -4.650 9.741 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.336 -3.213 8.763 1.00 0.00 C ATOM 0 H THR A 77 -8.076 -3.408 7.455 1.00 0.00 H new ATOM 0 HA THR A 77 -8.412 -1.331 9.229 1.00 0.00 H new ATOM 0 HB THR A 77 -9.470 -3.008 10.704 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.380 -5.250 10.025 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.117 -3.896 9.096 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.722 -2.194 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.023 -3.484 7.755 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.130 -3.512 10.234 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.008 -3.701 11.146 1.00 0.00 C ATOM 1205 C ASP A 78 -4.030 -2.534 11.054 1.00 0.00 C ATOM 1206 O ASP A 78 -3.954 -1.852 10.031 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.286 -5.013 10.835 1.00 0.00 C ATOM 1208 CG ASP A 78 -5.033 -6.224 11.360 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.971 -6.684 10.677 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.678 -6.711 12.453 1.00 0.00 O ATOM 0 H ASP A 78 -6.276 -4.281 9.580 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.401 -3.743 12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.159 -5.108 9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.288 -4.988 11.272 1.00 0.00 H new ATOM 1215 N THR A 79 -3.283 -2.308 12.130 1.00 0.00 N ATOM 1216 CA THR A 79 -2.312 -1.222 12.172 1.00 0.00 C ATOM 1217 C THR A 79 -0.886 -1.760 12.191 1.00 0.00 C ATOM 1218 O THR A 79 -0.636 -2.911 12.550 1.00 0.00 O ATOM 1219 CB THR A 79 -2.526 -0.324 13.405 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.006 -1.107 14.504 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.516 0.789 13.098 1.00 0.00 C ATOM 0 H THR A 79 -3.332 -2.863 12.984 1.00 0.00 H new ATOM 0 HA THR A 79 -2.462 -0.629 11.270 1.00 0.00 H new ATOM 0 HB THR A 79 -1.569 0.125 13.670 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.138 -0.529 15.284 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.651 1.410 13.983 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.134 1.401 12.281 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.473 0.355 12.810 1.00 0.00 H new ATOM 1229 N PRO A 80 0.074 -0.910 11.796 1.00 0.00 N ATOM 1230 CA PRO A 80 1.492 -1.279 11.760 1.00 0.00 C ATOM 1231 C PRO A 80 2.082 -1.450 13.156 1.00 0.00 C ATOM 1232 O PRO A 80 3.210 -1.917 13.310 1.00 0.00 O ATOM 1233 CB PRO A 80 2.148 -0.096 11.044 1.00 0.00 C ATOM 1234 CG PRO A 80 1.235 1.054 11.298 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.152 0.476 11.355 1.00 0.00 C ATOM 0 HA PRO A 80 1.652 -2.237 11.265 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.147 0.098 11.434 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.254 -0.289 9.976 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.488 1.554 12.233 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.315 1.799 10.506 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.786 1.022 12.054 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.643 0.513 10.383 1.00 0.00 H new ATOM 1243 N ALA A 81 1.311 -1.070 14.170 1.00 0.00 N ATOM 1244 CA ALA A 81 1.757 -1.185 15.553 1.00 0.00 C ATOM 1245 C ALA A 81 1.352 -2.528 16.151 1.00 0.00 C ATOM 1246 O ALA A 81 2.091 -3.112 16.943 1.00 0.00 O ATOM 1247 CB ALA A 81 1.193 -0.043 16.385 1.00 0.00 C ATOM 0 H ALA A 81 0.375 -0.680 14.059 1.00 0.00 H new ATOM 0 HA ALA A 81 2.845 -1.126 15.564 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.534 -0.141 17.416 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.537 0.908 15.978 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.104 -0.077 16.358 1.00 0.00 H new ATOM 1253 N GLN A 82 0.175 -3.011 15.766 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.327 -4.285 16.266 1.00 0.00 C ATOM 1255 C GLN A 82 0.628 -5.422 15.917 1.00 0.00 C ATOM 1256 O GLN A 82 0.752 -6.394 16.663 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.714 -4.573 15.689 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.473 -5.656 16.438 1.00 0.00 C ATOM 1259 CD GLN A 82 -2.580 -5.373 17.923 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -3.503 -4.692 18.372 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -1.635 -5.896 18.696 1.00 0.00 N ATOM 0 H GLN A 82 -0.448 -2.540 15.110 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.400 -4.217 17.351 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.301 -3.655 15.702 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.609 -4.870 14.645 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.474 -5.750 16.017 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.973 -6.613 16.290 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.888 -6.454 18.282 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.656 -5.740 19.704 1.00 0.00 H new ATOM 1270 N LEU A 83 1.300 -5.294 14.778 1.00 0.00 N ATOM 1271 CA LEU A 83 2.244 -6.311 14.329 1.00 0.00 C ATOM 1272 C LEU A 83 3.672 -5.935 14.711 1.00 0.00 C ATOM 1273 O LEU A 83 4.622 -6.636 14.363 1.00 0.00 O ATOM 1274 CB LEU A 83 2.141 -6.497 12.814 1.00 0.00 C ATOM 1275 CG LEU A 83 0.725 -6.561 12.240 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.728 -6.176 10.769 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.136 -7.951 12.428 1.00 0.00 C ATOM 0 H LEU A 83 1.209 -4.496 14.149 1.00 0.00 H new ATOM 0 HA LEU A 83 1.991 -7.250 14.822 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.671 -5.676 12.331 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.663 -7.415 12.545 1.00 0.00 H new ATOM 0 HG LEU A 83 0.102 -5.848 12.780 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.288 -6.227 10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.108 -5.160 10.659 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.366 -6.864 10.214 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.872 -7.978 12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.759 -8.683 11.914 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.098 -8.189 13.491 1.00 0.00 H new ATOM 1289 N GLU A 84 3.815 -4.826 15.429 1.00 0.00 N ATOM 1290 CA GLU A 84 5.127 -4.358 15.859 1.00 0.00 C ATOM 1291 C GLU A 84 6.039 -4.118 14.660 1.00 0.00 C ATOM 1292 O GLU A 84 7.171 -4.600 14.621 1.00 0.00 O ATOM 1293 CB GLU A 84 5.769 -5.374 16.807 1.00 0.00 C ATOM 1294 CG GLU A 84 5.429 -5.142 18.269 1.00 0.00 C ATOM 1295 CD GLU A 84 6.387 -5.845 19.211 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.991 -6.856 18.795 1.00 0.00 O ATOM 1297 OE2 GLU A 84 6.534 -5.385 20.362 1.00 0.00 O ATOM 0 H GLU A 84 3.038 -4.235 15.725 1.00 0.00 H new ATOM 0 HA GLU A 84 4.993 -3.413 16.386 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.448 -6.376 16.523 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.852 -5.339 16.685 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.442 -4.072 18.476 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.415 -5.491 18.462 1.00 0.00 H new ATOM 1304 N MET A 85 5.537 -3.371 13.682 1.00 0.00 N ATOM 1305 CA MET A 85 6.306 -3.066 12.481 1.00 0.00 C ATOM 1306 C MET A 85 7.445 -2.101 12.796 1.00 0.00 C ATOM 1307 O MET A 85 7.220 -0.911 13.010 1.00 0.00 O ATOM 1308 CB MET A 85 5.397 -2.467 11.406 1.00 0.00 C ATOM 1309 CG MET A 85 4.324 -3.425 10.916 1.00 0.00 C ATOM 1310 SD MET A 85 3.471 -2.820 9.447 1.00 0.00 S ATOM 1311 CE MET A 85 3.889 -4.096 8.262 1.00 0.00 C ATOM 0 H MET A 85 4.601 -2.966 13.698 1.00 0.00 H new ATOM 0 HA MET A 85 6.734 -3.996 12.107 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.919 -1.571 11.803 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.007 -2.154 10.559 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.778 -4.391 10.696 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.597 -3.588 11.712 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.222 -4.027 7.403 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.920 -3.964 7.933 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.780 -5.075 8.728 1.00 0.00 H new ATOM 1321 N GLU A 86 8.667 -2.624 12.822 1.00 0.00 N ATOM 1322 CA GLU A 86 9.840 -1.807 13.111 1.00 0.00 C ATOM 1323 C GLU A 86 10.190 -0.917 11.922 1.00 0.00 C ATOM 1324 O GLU A 86 9.613 -1.048 10.843 1.00 0.00 O ATOM 1325 CB GLU A 86 11.034 -2.697 13.465 1.00 0.00 C ATOM 1326 CG GLU A 86 10.843 -3.491 14.746 1.00 0.00 C ATOM 1327 CD GLU A 86 12.158 -3.859 15.406 1.00 0.00 C ATOM 1328 OE1 GLU A 86 12.741 -4.897 15.030 1.00 0.00 O ATOM 1329 OE2 GLU A 86 12.603 -3.107 16.299 1.00 0.00 O ATOM 0 H GLU A 86 8.870 -3.608 12.647 1.00 0.00 H new ATOM 0 HA GLU A 86 9.606 -1.169 13.963 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.217 -3.389 12.643 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.924 -2.075 13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.241 -2.909 15.444 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.284 -4.401 14.525 1.00 0.00 H new ATOM 1336 N ASP A 87 11.139 -0.011 12.129 1.00 0.00 N ATOM 1337 CA ASP A 87 11.568 0.902 11.075 1.00 0.00 C ATOM 1338 C ASP A 87 12.314 0.152 9.977 1.00 0.00 C ATOM 1339 O ASP A 87 12.859 -0.927 10.210 1.00 0.00 O ATOM 1340 CB ASP A 87 12.458 2.002 11.655 1.00 0.00 C ATOM 1341 CG ASP A 87 13.648 1.445 12.411 1.00 0.00 C ATOM 1342 OD1 ASP A 87 14.527 0.834 11.768 1.00 0.00 O ATOM 1343 OD2 ASP A 87 13.701 1.621 13.646 1.00 0.00 O ATOM 0 H ASP A 87 11.626 0.111 13.017 1.00 0.00 H new ATOM 0 HA ASP A 87 10.679 1.358 10.639 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.812 2.643 10.847 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.867 2.629 12.323 1.00 0.00 H new ATOM 1348 N GLU A 88 12.334 0.730 8.780 1.00 0.00 N ATOM 1349 CA GLU A 88 13.012 0.114 7.646 1.00 0.00 C ATOM 1350 C GLU A 88 12.509 -1.308 7.417 1.00 0.00 C ATOM 1351 O GLU A 88 13.239 -2.164 6.917 1.00 0.00 O ATOM 1352 CB GLU A 88 14.525 0.100 7.874 1.00 0.00 C ATOM 1353 CG GLU A 88 15.115 1.478 8.128 1.00 0.00 C ATOM 1354 CD GLU A 88 16.614 1.522 7.899 1.00 0.00 C ATOM 1355 OE1 GLU A 88 17.299 0.547 8.274 1.00 0.00 O ATOM 1356 OE2 GLU A 88 17.101 2.530 7.347 1.00 0.00 O ATOM 0 H GLU A 88 11.889 1.623 8.571 1.00 0.00 H new ATOM 0 HA GLU A 88 12.790 0.707 6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.750 -0.545 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.011 -0.339 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.630 2.203 7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.899 1.778 9.153 1.00 0.00 H new ATOM 1363 N ASP A 89 11.257 -1.553 7.788 1.00 0.00 N ATOM 1364 CA ASP A 89 10.654 -2.870 7.624 1.00 0.00 C ATOM 1365 C ASP A 89 10.485 -3.210 6.146 1.00 0.00 C ATOM 1366 O ASP A 89 10.885 -2.441 5.271 1.00 0.00 O ATOM 1367 CB ASP A 89 9.299 -2.927 8.331 1.00 0.00 C ATOM 1368 CG ASP A 89 9.417 -3.381 9.773 1.00 0.00 C ATOM 1369 OD1 ASP A 89 10.547 -3.384 10.304 1.00 0.00 O ATOM 1370 OD2 ASP A 89 8.378 -3.733 10.370 1.00 0.00 O ATOM 0 H ASP A 89 10.640 -0.856 8.205 1.00 0.00 H new ATOM 0 HA ASP A 89 11.321 -3.606 8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.835 -1.941 8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.639 -3.607 7.792 1.00 0.00 H new ATOM 1375 N THR A 90 9.891 -4.368 5.875 1.00 0.00 N ATOM 1376 CA THR A 90 9.671 -4.811 4.504 1.00 0.00 C ATOM 1377 C THR A 90 8.336 -5.534 4.367 1.00 0.00 C ATOM 1378 O THR A 90 8.087 -6.531 5.047 1.00 0.00 O ATOM 1379 CB THR A 90 10.799 -5.746 4.028 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.061 -5.074 4.113 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.557 -6.201 2.597 1.00 0.00 C ATOM 0 H THR A 90 9.554 -5.016 6.587 1.00 0.00 H new ATOM 0 HA THR A 90 9.662 -3.917 3.881 1.00 0.00 H new ATOM 0 HB THR A 90 10.811 -6.623 4.675 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.773 -5.676 3.810 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.366 -6.860 2.283 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.610 -6.737 2.541 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.521 -5.332 1.940 1.00 0.00 H new ATOM 1389 N ILE A 91 7.482 -5.027 3.485 1.00 0.00 N ATOM 1390 CA ILE A 91 6.173 -5.627 3.259 1.00 0.00 C ATOM 1391 C ILE A 91 6.180 -6.510 2.016 1.00 0.00 C ATOM 1392 O ILE A 91 6.874 -6.221 1.041 1.00 0.00 O ATOM 1393 CB ILE A 91 5.080 -4.552 3.105 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.225 -3.487 4.194 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.699 -5.189 3.159 1.00 0.00 C ATOM 1396 CD1 ILE A 91 3.970 -2.672 4.413 1.00 0.00 C ATOM 0 H ILE A 91 7.673 -4.203 2.915 1.00 0.00 H new ATOM 0 HA ILE A 91 5.950 -6.237 4.134 1.00 0.00 H new ATOM 0 HB ILE A 91 5.198 -4.070 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.502 -3.972 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.042 -2.816 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.938 -4.417 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.601 -5.914 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.568 -5.694 4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.146 -1.937 5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.704 -2.159 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.155 -3.332 4.709 1.00 0.00 H new ATOM 1408 N ASP A 92 5.402 -7.586 2.057 1.00 0.00 N ATOM 1409 CA ASP A 92 5.316 -8.511 0.932 1.00 0.00 C ATOM 1410 C ASP A 92 3.995 -8.342 0.189 1.00 0.00 C ATOM 1411 O ASP A 92 2.920 -8.503 0.768 1.00 0.00 O ATOM 1412 CB ASP A 92 5.461 -9.954 1.419 1.00 0.00 C ATOM 1413 CG ASP A 92 6.847 -10.246 1.960 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.770 -10.453 1.145 1.00 0.00 O ATOM 1415 OD2 ASP A 92 7.008 -10.268 3.199 1.00 0.00 O ATOM 0 H ASP A 92 4.822 -7.840 2.857 1.00 0.00 H new ATOM 0 HA ASP A 92 6.130 -8.284 0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.722 -10.148 2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.244 -10.636 0.596 1.00 0.00 H new ATOM 1420 N VAL A 93 4.082 -8.014 -1.096 1.00 0.00 N ATOM 1421 CA VAL A 93 2.894 -7.822 -1.918 1.00 0.00 C ATOM 1422 C VAL A 93 3.065 -8.466 -3.290 1.00 0.00 C ATOM 1423 O VAL A 93 4.185 -8.724 -3.731 1.00 0.00 O ATOM 1424 CB VAL A 93 2.572 -6.327 -2.101 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.599 -6.127 -3.253 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.014 -5.741 -0.813 1.00 0.00 C ATOM 0 H VAL A 93 4.963 -7.876 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 93 2.067 -8.302 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 93 3.496 -5.801 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.383 -5.065 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.041 -6.508 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.674 -6.665 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.792 -4.684 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.101 -6.269 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.749 -5.850 -0.015 1.00 0.00 H new ATOM 1436 N PHE A 94 1.947 -8.722 -3.961 1.00 0.00 N ATOM 1437 CA PHE A 94 1.973 -9.336 -5.284 1.00 0.00 C ATOM 1438 C PHE A 94 0.964 -8.668 -6.213 1.00 0.00 C ATOM 1439 O PHE A 94 -0.246 -8.825 -6.048 1.00 0.00 O ATOM 1440 CB PHE A 94 1.675 -10.833 -5.180 1.00 0.00 C ATOM 1441 CG PHE A 94 2.265 -11.479 -3.959 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.674 -11.313 -2.717 1.00 0.00 C ATOM 1443 CD2 PHE A 94 3.411 -12.251 -4.054 1.00 0.00 C ATOM 1444 CE1 PHE A 94 2.216 -11.906 -1.592 1.00 0.00 C ATOM 1445 CE2 PHE A 94 3.958 -12.847 -2.933 1.00 0.00 C ATOM 1446 CZ PHE A 94 3.359 -12.674 -1.700 1.00 0.00 C ATOM 0 H PHE A 94 1.012 -8.514 -3.611 1.00 0.00 H new ATOM 0 HA PHE A 94 2.970 -9.199 -5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.595 -10.981 -5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.060 -11.334 -6.068 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.780 -10.714 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.883 -12.389 -5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.746 -11.769 -0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.852 -13.447 -3.021 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.784 -13.138 -0.822 1.00 0.00 H new ATOM 1456 N GLN A 95 1.471 -7.922 -7.190 1.00 0.00 N ATOM 1457 CA GLN A 95 0.614 -7.229 -8.145 1.00 0.00 C ATOM 1458 C GLN A 95 0.838 -7.755 -9.559 1.00 0.00 C ATOM 1459 O GLN A 95 1.962 -8.086 -9.936 1.00 0.00 O ATOM 1460 CB GLN A 95 0.878 -5.723 -8.100 1.00 0.00 C ATOM 1461 CG GLN A 95 2.354 -5.363 -8.160 1.00 0.00 C ATOM 1462 CD GLN A 95 2.598 -4.012 -8.805 1.00 0.00 C ATOM 1463 OE1 GLN A 95 2.348 -3.826 -9.996 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.090 -3.061 -8.019 1.00 0.00 N ATOM 0 H GLN A 95 2.470 -7.782 -7.341 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.423 -7.417 -7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.362 -5.247 -8.934 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.450 -5.314 -7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.765 -5.359 -7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.889 -6.131 -8.719 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.282 -3.260 -7.037 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.276 -2.132 -8.397 1.00 0.00 H new ATOM 1473 N GLN A 96 -0.238 -7.829 -10.335 1.00 0.00 N ATOM 1474 CA GLN A 96 -0.157 -8.315 -11.707 1.00 0.00 C ATOM 1475 C GLN A 96 -0.350 -7.175 -12.701 1.00 0.00 C ATOM 1476 O GLN A 96 -1.295 -6.395 -12.589 1.00 0.00 O ATOM 1477 CB GLN A 96 -1.208 -9.401 -11.948 1.00 0.00 C ATOM 1478 CG GLN A 96 -0.921 -10.700 -11.212 1.00 0.00 C ATOM 1479 CD GLN A 96 0.108 -11.558 -11.922 1.00 0.00 C ATOM 1480 OE1 GLN A 96 1.294 -11.523 -11.596 1.00 0.00 O ATOM 1481 NE2 GLN A 96 -0.343 -12.335 -12.901 1.00 0.00 N ATOM 0 H GLN A 96 -1.175 -7.559 -10.037 1.00 0.00 H new ATOM 0 HA GLN A 96 0.836 -8.739 -11.858 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.184 -9.026 -11.639 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.269 -9.605 -13.017 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.567 -10.473 -10.206 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.847 -11.264 -11.104 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.335 -12.333 -13.138 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.303 -12.934 -13.415 1.00 0.00 H new ATOM 1490 N GLN A 97 0.553 -7.085 -13.673 1.00 0.00 N ATOM 1491 CA GLN A 97 0.482 -6.039 -14.686 1.00 0.00 C ATOM 1492 C GLN A 97 0.264 -6.637 -16.072 1.00 0.00 C ATOM 1493 O GLN A 97 0.417 -7.843 -16.271 1.00 0.00 O ATOM 1494 CB GLN A 97 1.761 -5.201 -14.675 1.00 0.00 C ATOM 1495 CG GLN A 97 1.562 -3.779 -15.174 1.00 0.00 C ATOM 1496 CD GLN A 97 2.783 -2.908 -14.957 1.00 0.00 C ATOM 1497 OE1 GLN A 97 3.587 -3.158 -14.058 1.00 0.00 O ATOM 1498 NE2 GLN A 97 2.930 -1.877 -15.781 1.00 0.00 N ATOM 0 H GLN A 97 1.341 -7.723 -13.780 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.367 -5.397 -14.450 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.155 -5.169 -13.659 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.512 -5.692 -15.293 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.321 -3.801 -16.237 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.708 -3.335 -14.663 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.240 -1.706 -16.512 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.733 -1.256 -15.682 1.00 0.00 H new ATOM 1507 N THR A 98 -0.095 -5.787 -17.029 1.00 0.00 N ATOM 1508 CA THR A 98 -0.335 -6.231 -18.396 1.00 0.00 C ATOM 1509 C THR A 98 0.864 -5.935 -19.289 1.00 0.00 C ATOM 1510 O THR A 98 1.783 -5.219 -18.893 1.00 0.00 O ATOM 1511 CB THR A 98 -1.585 -5.558 -18.994 1.00 0.00 C ATOM 1512 OG1 THR A 98 -1.438 -4.134 -18.960 1.00 0.00 O ATOM 1513 CG2 THR A 98 -2.836 -5.962 -18.228 1.00 0.00 C ATOM 0 H THR A 98 -0.226 -4.786 -16.882 1.00 0.00 H new ATOM 0 HA THR A 98 -0.496 -7.308 -18.355 1.00 0.00 H new ATOM 0 HB THR A 98 -1.689 -5.888 -20.028 1.00 0.00 H new ATOM 0 HG1 THR A 98 -2.236 -3.714 -19.343 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.706 -5.474 -18.668 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.961 -7.044 -18.280 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.739 -5.658 -17.186 1.00 0.00 H new ATOM 1521 N SER A 99 0.848 -6.491 -20.497 1.00 0.00 N ATOM 1522 CA SER A 99 1.937 -6.289 -21.446 1.00 0.00 C ATOM 1523 C SER A 99 1.524 -5.315 -22.546 1.00 0.00 C ATOM 1524 O SER A 99 1.729 -5.577 -23.730 1.00 0.00 O ATOM 1525 CB SER A 99 2.359 -7.624 -22.062 1.00 0.00 C ATOM 1526 OG SER A 99 3.529 -7.475 -22.847 1.00 0.00 O ATOM 0 H SER A 99 0.093 -7.084 -20.841 1.00 0.00 H new ATOM 0 HA SER A 99 2.783 -5.863 -20.906 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.538 -8.353 -21.271 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.550 -8.015 -22.679 1.00 0.00 H new ATOM 0 HG SER A 99 3.388 -6.770 -23.513 1.00 0.00 H new ATOM 1532 N GLY A 100 0.941 -4.190 -22.144 1.00 0.00 N ATOM 1533 CA GLY A 100 0.508 -3.194 -23.107 1.00 0.00 C ATOM 1534 C GLY A 100 1.211 -1.864 -22.921 1.00 0.00 C ATOM 1535 O GLY A 100 2.368 -1.691 -23.304 1.00 0.00 O ATOM 0 H GLY A 100 0.761 -3.950 -21.169 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.695 -3.563 -24.116 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.568 -3.048 -23.016 1.00 0.00 H new ATOM 1539 N PRO A 101 0.504 -0.895 -22.322 1.00 0.00 N ATOM 1540 CA PRO A 101 1.047 0.444 -22.074 1.00 0.00 C ATOM 1541 C PRO A 101 2.133 0.439 -21.003 1.00 0.00 C ATOM 1542 O PRO A 101 2.305 -0.545 -20.284 1.00 0.00 O ATOM 1543 CB PRO A 101 -0.171 1.238 -21.596 1.00 0.00 C ATOM 1544 CG PRO A 101 -1.090 0.215 -21.025 1.00 0.00 C ATOM 1545 CD PRO A 101 -0.881 -1.032 -21.840 1.00 0.00 C ATOM 0 HA PRO A 101 1.524 0.861 -22.961 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.109 1.980 -20.848 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.641 1.776 -22.419 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.868 0.035 -19.973 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.127 0.548 -21.080 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.010 -1.932 -21.238 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.590 -1.096 -22.666 1.00 0.00 H new ATOM 1553 N SER A 102 2.863 1.545 -20.903 1.00 0.00 N ATOM 1554 CA SER A 102 3.935 1.667 -19.921 1.00 0.00 C ATOM 1555 C SER A 102 4.682 0.346 -19.766 1.00 0.00 C ATOM 1556 O SER A 102 4.940 -0.107 -18.651 1.00 0.00 O ATOM 1557 CB SER A 102 3.370 2.108 -18.570 1.00 0.00 C ATOM 1558 OG SER A 102 2.371 1.211 -18.117 1.00 0.00 O ATOM 0 H SER A 102 2.732 2.369 -21.489 1.00 0.00 H new ATOM 0 HA SER A 102 4.636 2.422 -20.277 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.174 2.162 -17.836 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.950 3.110 -18.658 1.00 0.00 H new ATOM 0 HG SER A 102 2.027 1.515 -17.251 1.00 0.00 H new ATOM 1564 N SER A 103 5.028 -0.267 -20.894 1.00 0.00 N ATOM 1565 CA SER A 103 5.742 -1.538 -20.885 1.00 0.00 C ATOM 1566 C SER A 103 7.141 -1.379 -21.474 1.00 0.00 C ATOM 1567 O SER A 103 7.379 -0.508 -22.310 1.00 0.00 O ATOM 1568 CB SER A 103 4.961 -2.592 -21.673 1.00 0.00 C ATOM 1569 OG SER A 103 4.002 -3.235 -20.851 1.00 0.00 O ATOM 0 H SER A 103 4.825 0.096 -21.825 1.00 0.00 H new ATOM 0 HA SER A 103 5.837 -1.866 -19.850 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.462 -2.122 -22.520 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.651 -3.332 -22.080 1.00 0.00 H new ATOM 0 HG SER A 103 3.345 -2.578 -20.540 1.00 0.00 H new ATOM 1575 N GLY A 104 8.062 -2.229 -21.032 1.00 0.00 N ATOM 1576 CA GLY A 104 9.426 -2.167 -21.525 1.00 0.00 C ATOM 1577 C GLY A 104 9.515 -2.427 -23.016 1.00 0.00 C ATOM 1578 O GLY A 104 10.510 -2.082 -23.654 1.00 0.00 O ATOM 0 H GLY A 104 7.889 -2.959 -20.342 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.845 -1.185 -21.305 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.035 -2.899 -20.994 1.00 0.00 H new TER 1582 GLY A 104