USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 767 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 63 CYS SG : rot -110:sc= -1.36 USER MOD Set 1.2: A 107 THR OG1 : rot 175:sc= 0.456 USER MOD Set 2.1: A 12 ASN : amide:sc= -0.56 X(o=-0.73,f=-0.38) USER MOD Set 2.2: A 32 GLN : amide:sc= -0.173 X(o=-0.73,f=-0.77) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.848 K(o=0.85,f=0) USER MOD Single : A 24 HIS : no HE2:sc= -0.774 X(o=-0.77,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= 0.253 (180deg=0.187) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-4.27e-05 X(o=-4.3e-05,f=-0.23) USER MOD Single : A 38 HIS : no HD1:sc=-0.00188 X(o=-0.0019,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.2) USER MOD Single : A 44 ASN : amide:sc= 1.03 K(o=1,f=-1.9!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= 1.16 (180deg=0.52) 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 52 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.32) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 78:sc= 0.0217 USER MOD Single : A 83 ASN : amide:sc= -0.0343 K(o=-0.034,f=-1.5!) USER MOD Single : A 89 ASN : amide:sc= 0.0104 X(o=0.01,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0825 X(o=-0.083,f=-0.46) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc=-0.00269 X(o=-0.0027,f=-0.37) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 23.884 -18.416 -2.857 1.00 0.00 N ATOM 2 CA LYS A 6 22.532 -18.364 -2.239 1.00 0.00 C ATOM 3 C LYS A 6 22.177 -16.925 -1.827 1.00 0.00 C ATOM 4 O LYS A 6 22.943 -16.304 -1.092 1.00 0.00 O ATOM 5 CB LYS A 6 22.360 -19.393 -1.088 1.00 0.00 C ATOM 6 CG LYS A 6 23.118 -19.186 0.247 1.00 0.00 C ATOM 7 CD LYS A 6 24.196 -20.233 0.589 1.00 0.00 C ATOM 8 CE LYS A 6 25.549 -19.955 -0.076 1.00 0.00 C ATOM 9 NZ LYS A 6 26.593 -20.913 0.379 1.00 0.00 N ATOM 0 HA LYS A 6 21.808 -18.668 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 6 21.297 -19.445 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 6 22.648 -20.369 -1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 6 23.590 -18.204 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 6 22.388 -19.170 1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.331 -20.265 1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.845 -21.218 0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.442 -20.020 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.865 -18.937 0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.494 -20.694 -0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.712 -20.833 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.303 -21.882 0.138 1.00 0.00 H new ATOM 19 N LYS A 7 21.067 -16.366 -2.339 1.00 0.00 N ATOM 20 CA LYS A 7 20.504 -15.034 -1.991 1.00 0.00 C ATOM 21 C LYS A 7 19.152 -14.796 -2.680 1.00 0.00 C ATOM 22 O LYS A 7 18.943 -15.236 -3.812 1.00 0.00 O ATOM 23 CB LYS A 7 21.499 -13.910 -2.378 1.00 0.00 C ATOM 24 CG LYS A 7 22.102 -13.235 -1.129 1.00 0.00 C ATOM 25 CD LYS A 7 23.487 -12.604 -1.375 1.00 0.00 C ATOM 26 CE LYS A 7 24.524 -13.255 -0.441 1.00 0.00 C ATOM 27 NZ LYS A 7 25.866 -12.632 -0.580 1.00 0.00 N ATOM 0 H LYS A 7 20.505 -16.847 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 7 20.342 -15.016 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 7 22.299 -14.326 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 7 20.988 -13.163 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 7 21.418 -12.463 -0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 7 22.185 -13.974 -0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 7 23.782 -12.743 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 7 23.445 -11.530 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 7 24.188 -13.166 0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 7 24.594 -14.320 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 26.534 -13.099 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 26.199 -12.739 -1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 25.806 -11.621 -0.344 1.00 0.00 H new ATOM 37 N ASP A 8 18.260 -14.064 -2.012 1.00 0.00 N ATOM 38 CA ASP A 8 16.943 -13.638 -2.509 1.00 0.00 C ATOM 39 C ASP A 8 16.378 -12.454 -1.698 1.00 0.00 C ATOM 40 O ASP A 8 16.449 -12.439 -0.466 1.00 0.00 O ATOM 41 CB ASP A 8 15.949 -14.817 -2.521 1.00 0.00 C ATOM 42 CG ASP A 8 15.799 -15.550 -1.180 1.00 0.00 C ATOM 43 OD1 ASP A 8 16.631 -16.439 -0.872 1.00 0.00 O ATOM 44 OD2 ASP A 8 14.815 -15.284 -0.446 1.00 0.00 O ATOM 0 H ASP A 8 18.441 -13.734 -1.064 1.00 0.00 H new ATOM 0 HA ASP A 8 17.081 -13.295 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.971 -14.446 -2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 8 16.268 -15.535 -3.277 1.00 0.00 H new ATOM 48 N ASP A 9 15.833 -11.448 -2.393 1.00 0.00 N ATOM 49 CA ASP A 9 15.227 -10.227 -1.836 1.00 0.00 C ATOM 50 C ASP A 9 14.358 -9.491 -2.884 1.00 0.00 C ATOM 51 O ASP A 9 14.684 -9.490 -4.069 1.00 0.00 O ATOM 52 CB ASP A 9 16.351 -9.290 -1.352 1.00 0.00 C ATOM 53 CG ASP A 9 15.817 -8.017 -0.675 1.00 0.00 C ATOM 54 OD1 ASP A 9 14.999 -8.129 0.262 1.00 0.00 O ATOM 55 OD2 ASP A 9 16.228 -6.903 -1.080 1.00 0.00 O ATOM 0 H ASP A 9 15.800 -11.462 -3.412 1.00 0.00 H new ATOM 0 HA ASP A 9 14.579 -10.511 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 9 16.989 -9.828 -0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 9 16.975 -9.010 -2.201 1.00 0.00 H new ATOM 59 N PHE A 10 13.281 -8.828 -2.445 1.00 0.00 N ATOM 60 CA PHE A 10 12.472 -7.922 -3.279 1.00 0.00 C ATOM 61 C PHE A 10 13.016 -6.481 -3.185 1.00 0.00 C ATOM 62 O PHE A 10 12.923 -5.836 -2.139 1.00 0.00 O ATOM 63 CB PHE A 10 11.002 -8.007 -2.829 1.00 0.00 C ATOM 64 CG PHE A 10 10.115 -6.912 -3.389 1.00 0.00 C ATOM 65 CD1 PHE A 10 9.731 -6.936 -4.748 1.00 0.00 C ATOM 66 CD2 PHE A 10 9.745 -5.827 -2.575 1.00 0.00 C ATOM 67 CE1 PHE A 10 9.018 -5.855 -5.291 1.00 0.00 C ATOM 68 CE2 PHE A 10 9.032 -4.746 -3.117 1.00 0.00 C ATOM 69 CZ PHE A 10 8.686 -4.753 -4.483 1.00 0.00 C ATOM 0 H PHE A 10 12.940 -8.905 -1.487 1.00 0.00 H new ATOM 0 HA PHE A 10 12.532 -8.222 -4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.598 -8.974 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.964 -7.968 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.985 -7.783 -5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.010 -5.825 -1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.724 -5.870 -6.330 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.750 -3.913 -2.490 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.164 -3.910 -4.911 1.00 0.00 H new ATOM 78 N ARG A 11 13.594 -5.968 -4.288 1.00 0.00 N ATOM 79 CA ARG A 11 14.066 -4.571 -4.374 1.00 0.00 C ATOM 80 C ARG A 11 12.903 -3.567 -4.317 1.00 0.00 C ATOM 81 O ARG A 11 11.866 -3.768 -4.955 1.00 0.00 O ATOM 82 CB ARG A 11 14.919 -4.341 -5.652 1.00 0.00 C ATOM 83 CG ARG A 11 16.362 -3.895 -5.324 1.00 0.00 C ATOM 84 CD ARG A 11 16.879 -2.732 -6.185 1.00 0.00 C ATOM 85 NE ARG A 11 17.788 -3.161 -7.272 1.00 0.00 N ATOM 86 CZ ARG A 11 18.410 -2.353 -8.115 1.00 0.00 C ATOM 87 NH1 ARG A 11 18.186 -1.067 -8.138 1.00 0.00 N ATOM 88 NH2 ARG A 11 19.286 -2.818 -8.960 1.00 0.00 N ATOM 0 H ARG A 11 13.747 -6.506 -5.141 1.00 0.00 H new ATOM 0 HA ARG A 11 14.697 -4.398 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.950 -5.261 -6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.440 -3.585 -6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 11 16.409 -3.603 -4.275 1.00 0.00 H new ATOM 0 HG3 ARG A 11 17.030 -4.748 -5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.029 -2.206 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.401 -2.021 -5.545 1.00 0.00 H new ATOM 0 HE ARG A 11 17.948 -4.163 -7.380 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.513 -0.655 -7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.684 -0.474 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.499 -3.815 -8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.759 -2.185 -9.605 1.00 0.00 H new ATOM 99 N ASN A 12 13.116 -2.455 -3.620 1.00 0.00 N ATOM 100 CA ASN A 12 12.199 -1.314 -3.495 1.00 0.00 C ATOM 101 C ASN A 12 13.001 0.011 -3.401 1.00 0.00 C ATOM 102 O ASN A 12 14.234 -0.022 -3.411 1.00 0.00 O ATOM 103 CB ASN A 12 11.288 -1.564 -2.270 1.00 0.00 C ATOM 104 CG ASN A 12 9.990 -0.776 -2.332 1.00 0.00 C ATOM 105 OD1 ASN A 12 9.152 -0.968 -3.200 1.00 0.00 O ATOM 106 ND2 ASN A 12 9.782 0.161 -1.434 1.00 0.00 N ATOM 0 H ASN A 12 13.980 -2.313 -3.096 1.00 0.00 H new ATOM 0 HA ASN A 12 11.565 -1.217 -4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.059 -2.628 -2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.827 -1.297 -1.361 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.928 0.718 -1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.474 0.331 -0.704 1.00 0.00 H new ATOM 112 N GLU A 13 12.320 1.161 -3.289 1.00 0.00 N ATOM 113 CA GLU A 13 12.879 2.534 -3.269 1.00 0.00 C ATOM 114 C GLU A 13 13.618 2.963 -4.568 1.00 0.00 C ATOM 115 O GLU A 13 14.697 2.473 -4.906 1.00 0.00 O ATOM 116 CB GLU A 13 13.706 2.796 -1.995 1.00 0.00 C ATOM 117 CG GLU A 13 12.798 3.191 -0.824 1.00 0.00 C ATOM 118 CD GLU A 13 13.545 3.194 0.524 1.00 0.00 C ATOM 119 OE1 GLU A 13 14.590 3.878 0.650 1.00 0.00 O ATOM 120 OE2 GLU A 13 13.076 2.528 1.473 1.00 0.00 O ATOM 0 H GLU A 13 11.304 1.165 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 13 12.010 3.191 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.273 1.902 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.429 3.589 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.383 4.182 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.958 2.498 -0.769 1.00 0.00 H new ATOM 125 N PHE A 14 13.013 3.914 -5.291 1.00 0.00 N ATOM 126 CA PHE A 14 13.467 4.458 -6.577 1.00 0.00 C ATOM 127 C PHE A 14 12.940 5.893 -6.811 1.00 0.00 C ATOM 128 O PHE A 14 12.053 6.357 -6.083 1.00 0.00 O ATOM 129 CB PHE A 14 13.021 3.511 -7.715 1.00 0.00 C ATOM 130 CG PHE A 14 11.522 3.473 -7.978 1.00 0.00 C ATOM 131 CD1 PHE A 14 10.664 2.736 -7.139 1.00 0.00 C ATOM 132 CD2 PHE A 14 10.983 4.172 -9.079 1.00 0.00 C ATOM 133 CE1 PHE A 14 9.278 2.710 -7.388 1.00 0.00 C ATOM 134 CE2 PHE A 14 9.599 4.141 -9.325 1.00 0.00 C ATOM 135 CZ PHE A 14 8.746 3.413 -8.484 1.00 0.00 C ATOM 0 H PHE A 14 12.145 4.349 -4.977 1.00 0.00 H new ATOM 0 HA PHE A 14 14.555 4.522 -6.564 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.527 3.809 -8.633 1.00 0.00 H new ATOM 0 HB3 PHE A 14 13.358 2.502 -7.479 1.00 0.00 H new ATOM 0 HD1 PHE A 14 11.070 2.189 -6.301 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.635 4.732 -9.734 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.623 2.150 -6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.191 4.681 -10.167 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.684 3.392 -8.677 1.00 0.00 H new ATOM 144 N ASP A 15 13.454 6.573 -7.847 1.00 0.00 N ATOM 145 CA ASP A 15 13.230 8.000 -8.179 1.00 0.00 C ATOM 146 C ASP A 15 13.828 8.982 -7.131 1.00 0.00 C ATOM 147 O ASP A 15 14.353 8.571 -6.092 1.00 0.00 O ATOM 148 CB ASP A 15 11.730 8.251 -8.488 1.00 0.00 C ATOM 149 CG ASP A 15 11.451 9.299 -9.581 1.00 0.00 C ATOM 150 OD1 ASP A 15 12.216 10.283 -9.715 1.00 0.00 O ATOM 151 OD2 ASP A 15 10.450 9.141 -10.323 1.00 0.00 O ATOM 0 H ASP A 15 14.074 6.121 -8.519 1.00 0.00 H new ATOM 0 HA ASP A 15 13.790 8.221 -9.087 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.275 7.307 -8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.234 8.567 -7.570 1.00 0.00 H new ATOM 155 N HIS A 16 13.768 10.289 -7.406 1.00 0.00 N ATOM 156 CA HIS A 16 14.237 11.392 -6.552 1.00 0.00 C ATOM 157 C HIS A 16 13.258 12.591 -6.591 1.00 0.00 C ATOM 158 O HIS A 16 13.641 13.755 -6.734 1.00 0.00 O ATOM 159 CB HIS A 16 15.690 11.759 -6.907 1.00 0.00 C ATOM 160 CG HIS A 16 16.369 12.583 -5.833 1.00 0.00 C ATOM 161 ND1 HIS A 16 16.927 12.100 -4.669 1.00 0.00 N ATOM 162 CD2 HIS A 16 16.521 13.946 -5.814 1.00 0.00 C ATOM 163 CE1 HIS A 16 17.398 13.141 -3.968 1.00 0.00 C ATOM 164 NE2 HIS A 16 17.174 14.295 -4.622 1.00 0.00 N ATOM 0 H HIS A 16 13.368 10.628 -8.281 1.00 0.00 H new ATOM 0 HA HIS A 16 14.246 11.065 -5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 16 16.260 10.845 -7.072 1.00 0.00 H new ATOM 0 HB3 HIS A 16 15.700 12.314 -7.845 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.195 14.631 -6.583 1.00 0.00 H new ATOM 0 HE1 HIS A 16 17.890 13.064 -3.010 1.00 0.00 H new ATOM 0 HE2 HIS A 16 17.428 15.234 -4.314 1.00 0.00 H new ATOM 171 N LEU A 17 11.960 12.284 -6.507 1.00 0.00 N ATOM 172 CA LEU A 17 10.837 13.229 -6.442 1.00 0.00 C ATOM 173 C LEU A 17 9.681 12.577 -5.662 1.00 0.00 C ATOM 174 O LEU A 17 9.320 11.430 -5.934 1.00 0.00 O ATOM 175 CB LEU A 17 10.453 13.630 -7.886 1.00 0.00 C ATOM 176 CG LEU A 17 9.147 14.445 -8.017 1.00 0.00 C ATOM 177 CD1 LEU A 17 9.298 15.555 -9.063 1.00 0.00 C ATOM 178 CD2 LEU A 17 7.983 13.558 -8.472 1.00 0.00 C ATOM 0 H LEU A 17 11.645 11.314 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 17 11.102 14.142 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.270 14.211 -8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.359 12.724 -8.485 1.00 0.00 H new ATOM 0 HG LEU A 17 8.944 14.866 -7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.366 16.115 -9.137 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.102 16.228 -8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.534 15.113 -10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.078 14.160 -8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.217 13.119 -9.442 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.825 12.763 -7.743 1.00 0.00 H new ATOM 189 N LEU A 18 9.110 13.308 -4.693 1.00 0.00 N ATOM 190 CA LEU A 18 7.979 12.862 -3.868 1.00 0.00 C ATOM 191 C LEU A 18 6.797 13.839 -3.988 1.00 0.00 C ATOM 192 O LEU A 18 5.765 13.451 -4.531 1.00 0.00 O ATOM 193 CB LEU A 18 8.418 12.690 -2.385 1.00 0.00 C ATOM 194 CG LEU A 18 9.182 11.407 -1.996 1.00 0.00 C ATOM 195 CD1 LEU A 18 8.485 10.138 -2.478 1.00 0.00 C ATOM 196 CD2 LEU A 18 10.637 11.366 -2.453 1.00 0.00 C ATOM 0 H LEU A 18 9.430 14.247 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 18 7.647 11.891 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.043 13.543 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.524 12.747 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 18 9.180 11.441 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.066 9.267 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.490 10.080 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.401 10.160 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.092 10.428 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.679 11.439 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.181 12.201 -2.012 1.00 0.00 H new ATOM 207 N ILE A 19 6.998 15.095 -3.545 1.00 0.00 N ATOM 208 CA ILE A 19 6.046 16.228 -3.499 1.00 0.00 C ATOM 209 C ILE A 19 4.745 15.924 -2.728 1.00 0.00 C ATOM 210 O ILE A 19 4.012 15.009 -3.086 1.00 0.00 O ATOM 211 CB ILE A 19 5.847 16.833 -4.917 1.00 0.00 C ATOM 212 CG1 ILE A 19 6.190 18.338 -4.949 1.00 0.00 C ATOM 213 CG2 ILE A 19 4.485 16.572 -5.589 1.00 0.00 C ATOM 214 CD1 ILE A 19 5.212 19.264 -4.213 1.00 0.00 C ATOM 0 H ILE A 19 7.909 15.369 -3.178 1.00 0.00 H new ATOM 0 HA ILE A 19 6.496 17.013 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 19 6.560 16.277 -5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.182 18.474 -4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.247 18.656 -5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.468 17.043 -6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.333 15.498 -5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.689 16.990 -4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.552 20.296 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.220 19.170 -4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.169 18.985 -3.160 1.00 0.00 H new ATOM 225 N GLU A 20 4.450 16.715 -1.674 1.00 0.00 N ATOM 226 CA GLU A 20 3.316 16.558 -0.729 1.00 0.00 C ATOM 227 C GLU A 20 3.231 15.150 -0.116 1.00 0.00 C ATOM 228 O GLU A 20 2.825 14.218 -0.794 1.00 0.00 O ATOM 229 CB GLU A 20 1.987 16.945 -1.433 1.00 0.00 C ATOM 230 CG GLU A 20 1.519 18.380 -1.171 1.00 0.00 C ATOM 231 CD GLU A 20 0.652 18.462 0.093 1.00 0.00 C ATOM 232 OE1 GLU A 20 1.152 18.112 1.189 1.00 0.00 O ATOM 233 OE2 GLU A 20 -0.532 18.868 -0.002 1.00 0.00 O ATOM 0 H GLU A 20 5.026 17.525 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 20 3.494 17.235 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.107 16.807 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.206 16.257 -1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.385 19.033 -1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.951 18.742 -2.028 1.00 0.00 H new ATOM 238 N GLN A 21 3.558 14.942 1.172 1.00 0.00 N ATOM 239 CA GLN A 21 3.523 13.586 1.772 1.00 0.00 C ATOM 240 C GLN A 21 2.208 12.819 1.523 1.00 0.00 C ATOM 241 O GLN A 21 2.260 11.606 1.342 1.00 0.00 O ATOM 242 CB GLN A 21 3.858 13.582 3.275 1.00 0.00 C ATOM 243 CG GLN A 21 5.359 13.390 3.560 1.00 0.00 C ATOM 244 CD GLN A 21 5.589 12.805 4.950 1.00 0.00 C ATOM 245 OE1 GLN A 21 5.796 11.609 5.121 1.00 0.00 O ATOM 246 NE2 GLN A 21 5.544 13.597 6.004 1.00 0.00 N ATOM 0 H GLN A 21 3.846 15.681 1.814 1.00 0.00 H new ATOM 0 HA GLN A 21 4.312 13.051 1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.528 14.522 3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.297 12.786 3.764 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.792 12.730 2.809 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.873 14.348 3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.373 14.595 5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.680 13.211 6.938 1.00 0.00 H new ATOM 253 N ALA A 22 1.066 13.504 1.432 1.00 0.00 N ATOM 254 CA ALA A 22 -0.217 12.938 0.997 1.00 0.00 C ATOM 255 C ALA A 22 -0.285 12.505 -0.457 1.00 0.00 C ATOM 256 O ALA A 22 -0.790 11.424 -0.768 1.00 0.00 O ATOM 257 CB ALA A 22 -1.265 14.021 1.196 1.00 0.00 C ATOM 0 H ALA A 22 1.004 14.495 1.665 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.372 12.034 1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.240 13.645 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.303 14.301 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.005 14.894 0.597 1.00 0.00 H new ATOM 263 N ASN A 23 0.202 13.352 -1.372 1.00 0.00 N ATOM 264 CA ASN A 23 0.329 12.999 -2.775 1.00 0.00 C ATOM 265 C ASN A 23 1.315 11.837 -2.920 1.00 0.00 C ATOM 266 O ASN A 23 0.925 10.829 -3.473 1.00 0.00 O ATOM 267 CB ASN A 23 0.731 14.220 -3.608 1.00 0.00 C ATOM 268 CG ASN A 23 1.031 13.806 -5.039 1.00 0.00 C ATOM 269 OD1 ASN A 23 0.136 13.549 -5.830 1.00 0.00 O ATOM 270 ND2 ASN A 23 2.288 13.675 -5.389 1.00 0.00 N ATOM 0 H ASN A 23 0.516 14.297 -1.153 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.635 12.668 -3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.072 14.957 -3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.608 14.696 -3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.525 13.356 -6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.028 13.892 -4.722 1.00 0.00 H new ATOM 276 N HIS A 24 2.518 11.904 -2.331 1.00 0.00 N ATOM 277 CA HIS A 24 3.450 10.772 -2.212 1.00 0.00 C ATOM 278 C HIS A 24 2.745 9.494 -1.737 1.00 0.00 C ATOM 279 O HIS A 24 2.955 8.428 -2.319 1.00 0.00 O ATOM 280 CB HIS A 24 4.614 11.155 -1.275 1.00 0.00 C ATOM 281 CG HIS A 24 5.053 10.092 -0.282 1.00 0.00 C ATOM 282 ND1 HIS A 24 4.742 10.071 1.049 1.00 0.00 N ATOM 283 CD2 HIS A 24 5.766 8.948 -0.538 1.00 0.00 C ATOM 284 CE1 HIS A 24 5.283 8.967 1.598 1.00 0.00 C ATOM 285 NE2 HIS A 24 5.923 8.249 0.657 1.00 0.00 N ATOM 0 H HIS A 24 2.878 12.763 -1.916 1.00 0.00 H new ATOM 0 HA HIS A 24 3.850 10.553 -3.202 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.473 11.426 -1.889 1.00 0.00 H new ATOM 0 HB3 HIS A 24 4.326 12.047 -0.718 1.00 0.00 H new ATOM 0 HD1 HIS A 24 4.192 10.774 1.543 1.00 0.00 H new ATOM 0 HD2 HIS A 24 6.142 8.641 -1.503 1.00 0.00 H new ATOM 0 HE1 HIS A 24 5.213 8.697 2.641 1.00 0.00 H new ATOM 292 N ALA A 25 1.881 9.604 -0.729 1.00 0.00 N ATOM 293 CA ALA A 25 1.169 8.470 -0.183 1.00 0.00 C ATOM 294 C ALA A 25 0.247 7.805 -1.212 1.00 0.00 C ATOM 295 O ALA A 25 0.370 6.608 -1.430 1.00 0.00 O ATOM 296 CB ALA A 25 0.411 8.927 1.051 1.00 0.00 C ATOM 0 H ALA A 25 1.661 10.489 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 25 1.888 7.700 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.133 8.084 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.115 9.314 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.294 9.711 0.775 1.00 0.00 H new ATOM 302 N ILE A 26 -0.641 8.544 -1.879 1.00 0.00 N ATOM 303 CA ILE A 26 -1.520 7.951 -2.897 1.00 0.00 C ATOM 304 C ILE A 26 -0.790 7.650 -4.224 1.00 0.00 C ATOM 305 O ILE A 26 -1.081 6.653 -4.869 1.00 0.00 O ATOM 306 CB ILE A 26 -2.822 8.768 -3.069 1.00 0.00 C ATOM 307 CG1 ILE A 26 -2.629 10.230 -3.532 1.00 0.00 C ATOM 308 CG2 ILE A 26 -3.582 8.771 -1.731 1.00 0.00 C ATOM 309 CD1 ILE A 26 -2.557 10.428 -5.047 1.00 0.00 C ATOM 0 H ILE A 26 -0.773 9.545 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.824 6.972 -2.527 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.377 8.276 -3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.451 10.830 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.713 10.618 -3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.503 9.344 -1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.823 7.747 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.959 9.225 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.421 11.486 -5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.717 9.862 -5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.482 10.077 -5.504 1.00 0.00 H new ATOM 320 N GLU A 27 0.216 8.444 -4.591 1.00 0.00 N ATOM 321 CA GLU A 27 1.001 8.322 -5.828 1.00 0.00 C ATOM 322 C GLU A 27 1.923 7.101 -5.786 1.00 0.00 C ATOM 323 O GLU A 27 1.822 6.234 -6.660 1.00 0.00 O ATOM 324 CB GLU A 27 1.818 9.614 -6.020 1.00 0.00 C ATOM 325 CG GLU A 27 2.711 9.655 -7.267 1.00 0.00 C ATOM 326 CD GLU A 27 2.425 10.911 -8.114 1.00 0.00 C ATOM 327 OE1 GLU A 27 2.811 12.031 -7.697 1.00 0.00 O ATOM 328 OE2 GLU A 27 1.816 10.777 -9.201 1.00 0.00 O ATOM 0 H GLU A 27 0.523 9.225 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 27 0.323 8.182 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.127 10.456 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.446 9.760 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.759 9.645 -6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.543 8.761 -7.868 1.00 0.00 H new ATOM 333 N LYS A 28 2.787 6.997 -4.767 1.00 0.00 N ATOM 334 CA LYS A 28 3.620 5.805 -4.563 1.00 0.00 C ATOM 335 C LYS A 28 2.791 4.648 -4.025 1.00 0.00 C ATOM 336 O LYS A 28 3.036 3.532 -4.453 1.00 0.00 O ATOM 337 CB LYS A 28 4.835 6.069 -3.660 1.00 0.00 C ATOM 338 CG LYS A 28 5.753 7.172 -4.217 1.00 0.00 C ATOM 339 CD LYS A 28 7.248 6.814 -4.157 1.00 0.00 C ATOM 340 CE LYS A 28 7.612 5.818 -5.269 1.00 0.00 C ATOM 341 NZ LYS A 28 9.074 5.542 -5.314 1.00 0.00 N ATOM 0 H LYS A 28 2.927 7.727 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 28 4.012 5.532 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.490 6.355 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.406 5.148 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.477 7.375 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.585 8.091 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.848 7.718 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.485 6.384 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.072 4.885 -5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.288 6.215 -6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.251 4.704 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.570 6.362 -5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.424 5.367 -4.350 1.00 0.00 H new ATOM 351 N GLY A 29 1.788 4.889 -3.182 1.00 0.00 N ATOM 352 CA GLY A 29 0.868 3.863 -2.677 1.00 0.00 C ATOM 353 C GLY A 29 0.121 3.114 -3.778 1.00 0.00 C ATOM 354 O GLY A 29 0.221 1.895 -3.819 1.00 0.00 O ATOM 0 H GLY A 29 1.585 5.821 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.430 3.146 -2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.143 4.333 -2.013 1.00 0.00 H new ATOM 358 N GLU A 30 -0.557 3.791 -4.714 1.00 0.00 N ATOM 359 CA GLU A 30 -1.252 3.108 -5.821 1.00 0.00 C ATOM 360 C GLU A 30 -0.287 2.349 -6.755 1.00 0.00 C ATOM 361 O GLU A 30 -0.638 1.288 -7.273 1.00 0.00 O ATOM 362 CB GLU A 30 -2.097 4.071 -6.677 1.00 0.00 C ATOM 363 CG GLU A 30 -3.398 4.560 -6.018 1.00 0.00 C ATOM 364 CD GLU A 30 -4.593 4.479 -6.995 1.00 0.00 C ATOM 365 OE1 GLU A 30 -4.527 5.044 -8.113 1.00 0.00 O ATOM 366 OE2 GLU A 30 -5.595 3.800 -6.666 1.00 0.00 O ATOM 0 H GLU A 30 -0.641 4.807 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.910 2.392 -5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.487 4.939 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.347 3.574 -7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.608 3.958 -5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.272 5.589 -5.680 1.00 0.00 H new ATOM 371 N HIS A 31 0.938 2.853 -6.951 1.00 0.00 N ATOM 372 CA HIS A 31 1.976 2.173 -7.734 1.00 0.00 C ATOM 373 C HIS A 31 2.522 0.939 -7.004 1.00 0.00 C ATOM 374 O HIS A 31 2.580 -0.162 -7.554 1.00 0.00 O ATOM 375 CB HIS A 31 3.119 3.159 -8.041 1.00 0.00 C ATOM 376 CG HIS A 31 3.329 3.366 -9.518 1.00 0.00 C ATOM 377 ND1 HIS A 31 2.643 4.250 -10.324 1.00 0.00 N ATOM 378 CD2 HIS A 31 4.244 2.724 -10.312 1.00 0.00 C ATOM 379 CE1 HIS A 31 3.136 4.152 -11.566 1.00 0.00 C ATOM 380 NE2 HIS A 31 4.115 3.228 -11.616 1.00 0.00 N ATOM 0 H HIS A 31 1.238 3.750 -6.568 1.00 0.00 H new ATOM 0 HA HIS A 31 1.527 1.829 -8.666 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.901 4.118 -7.571 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.042 2.788 -7.596 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.941 1.964 -9.991 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.796 4.733 -12.410 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.654 2.950 -12.436 1.00 0.00 H new ATOM 387 N GLN A 32 2.884 1.113 -5.725 1.00 0.00 N ATOM 388 CA GLN A 32 3.309 0.047 -4.829 1.00 0.00 C ATOM 389 C GLN A 32 2.193 -0.938 -4.530 1.00 0.00 C ATOM 390 O GLN A 32 2.522 -2.054 -4.185 1.00 0.00 O ATOM 391 CB GLN A 32 3.927 0.579 -3.528 1.00 0.00 C ATOM 392 CG GLN A 32 5.421 0.880 -3.720 1.00 0.00 C ATOM 393 CD GLN A 32 6.056 1.694 -2.585 1.00 0.00 C ATOM 394 OE1 GLN A 32 5.445 2.066 -1.594 1.00 0.00 O ATOM 395 NE2 GLN A 32 7.327 2.019 -2.708 1.00 0.00 N ATOM 0 H GLN A 32 2.887 2.030 -5.279 1.00 0.00 H new ATOM 0 HA GLN A 32 4.090 -0.491 -5.366 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.406 1.484 -3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.798 -0.154 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.959 -0.063 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.552 1.422 -4.657 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.853 1.718 -3.528 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.784 2.572 -1.983 1.00 0.00 H new ATOM 402 N LEU A 33 0.914 -0.613 -4.711 1.00 0.00 N ATOM 403 CA LEU A 33 -0.193 -1.559 -4.547 1.00 0.00 C ATOM 404 C LEU A 33 -0.024 -2.805 -5.438 1.00 0.00 C ATOM 405 O LEU A 33 -0.188 -3.932 -4.972 1.00 0.00 O ATOM 406 CB LEU A 33 -1.531 -0.821 -4.800 1.00 0.00 C ATOM 407 CG LEU A 33 -2.540 -0.851 -3.638 1.00 0.00 C ATOM 408 CD1 LEU A 33 -2.942 -2.280 -3.322 1.00 0.00 C ATOM 409 CD2 LEU A 33 -2.042 -0.204 -2.350 1.00 0.00 C ATOM 0 H LEU A 33 0.612 0.324 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.194 -1.935 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.311 0.219 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.005 -1.257 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.387 -0.263 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.656 -2.283 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.401 -2.732 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.059 -2.852 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.817 -0.271 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.147 -0.722 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.806 0.844 -2.537 1.00 0.00 H new ATOM 420 N LEU A 34 0.414 -2.620 -6.696 1.00 0.00 N ATOM 421 CA LEU A 34 0.794 -3.722 -7.590 1.00 0.00 C ATOM 422 C LEU A 34 2.094 -4.425 -7.139 1.00 0.00 C ATOM 423 O LEU A 34 2.181 -5.651 -7.197 1.00 0.00 O ATOM 424 CB LEU A 34 0.920 -3.218 -9.047 1.00 0.00 C ATOM 425 CG LEU A 34 -0.417 -3.116 -9.805 1.00 0.00 C ATOM 426 CD1 LEU A 34 -1.275 -1.922 -9.391 1.00 0.00 C ATOM 427 CD2 LEU A 34 -0.150 -2.980 -11.306 1.00 0.00 C ATOM 0 H LEU A 34 0.514 -1.698 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.001 -4.466 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.394 -2.237 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.583 -3.888 -9.594 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.962 -4.027 -9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.199 -1.920 -9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.512 -1.995 -8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.728 -0.998 -9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.098 -2.908 -11.839 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.439 -2.082 -11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.399 -3.853 -11.658 1.00 0.00 H new ATOM 438 N TYR A 35 3.093 -3.689 -6.629 1.00 0.00 N ATOM 439 CA TYR A 35 4.299 -4.287 -6.032 1.00 0.00 C ATOM 440 C TYR A 35 4.037 -5.022 -4.704 1.00 0.00 C ATOM 441 O TYR A 35 4.765 -5.942 -4.350 1.00 0.00 O ATOM 442 CB TYR A 35 5.378 -3.224 -5.778 1.00 0.00 C ATOM 443 CG TYR A 35 6.172 -2.756 -6.992 1.00 0.00 C ATOM 444 CD1 TYR A 35 6.891 -3.693 -7.760 1.00 0.00 C ATOM 445 CD2 TYR A 35 6.274 -1.382 -7.291 1.00 0.00 C ATOM 446 CE1 TYR A 35 7.702 -3.264 -8.825 1.00 0.00 C ATOM 447 CE2 TYR A 35 7.086 -0.948 -8.359 1.00 0.00 C ATOM 448 CZ TYR A 35 7.804 -1.888 -9.125 1.00 0.00 C ATOM 449 OH TYR A 35 8.595 -1.459 -10.151 1.00 0.00 O ATOM 0 H TYR A 35 3.089 -2.669 -6.618 1.00 0.00 H new ATOM 0 HA TYR A 35 4.637 -5.019 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.900 -2.354 -5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.080 -3.619 -5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.819 -4.746 -7.529 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.729 -0.660 -6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.247 -3.987 -9.414 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.158 0.105 -8.590 1.00 0.00 H new ATOM 0 HH TYR A 35 8.545 -0.482 -10.216 1.00 0.00 H new ATOM 458 N LEU A 36 3.000 -4.662 -3.956 1.00 0.00 N ATOM 459 CA LEU A 36 2.636 -5.256 -2.672 1.00 0.00 C ATOM 460 C LEU A 36 2.072 -6.662 -2.892 1.00 0.00 C ATOM 461 O LEU A 36 2.413 -7.594 -2.167 1.00 0.00 O ATOM 462 CB LEU A 36 1.626 -4.310 -1.992 1.00 0.00 C ATOM 463 CG LEU A 36 1.664 -4.259 -0.457 1.00 0.00 C ATOM 464 CD1 LEU A 36 3.025 -3.882 0.110 1.00 0.00 C ATOM 465 CD2 LEU A 36 0.658 -3.206 -0.007 1.00 0.00 C ATOM 0 H LEU A 36 2.363 -3.917 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 36 3.503 -5.370 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.793 -3.302 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.622 -4.604 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 36 1.432 -5.259 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.974 -3.867 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.767 -4.614 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.310 -2.895 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.659 -3.143 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.932 -2.238 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.338 -3.483 -0.354 1.00 0.00 H new ATOM 476 N GLN A 37 1.316 -6.826 -3.979 1.00 0.00 N ATOM 477 CA GLN A 37 0.918 -8.111 -4.553 1.00 0.00 C ATOM 478 C GLN A 37 2.130 -8.938 -5.047 1.00 0.00 C ATOM 479 O GLN A 37 2.063 -10.164 -5.068 1.00 0.00 O ATOM 480 CB GLN A 37 -0.075 -7.852 -5.701 1.00 0.00 C ATOM 481 CG GLN A 37 -1.347 -7.105 -5.256 1.00 0.00 C ATOM 482 CD GLN A 37 -2.107 -6.422 -6.398 1.00 0.00 C ATOM 483 OE1 GLN A 37 -1.891 -6.650 -7.588 1.00 0.00 O ATOM 484 NE2 GLN A 37 -2.998 -5.503 -6.081 1.00 0.00 N ATOM 0 H GLN A 37 0.949 -6.033 -4.505 1.00 0.00 H new ATOM 0 HA GLN A 37 0.442 -8.706 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.424 -7.273 -6.478 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.360 -8.805 -6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.015 -7.810 -4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.073 -6.353 -4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.193 -5.298 -5.101 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.493 -4.997 -6.816 1.00 0.00 H new ATOM 491 N HIS A 38 3.256 -8.292 -5.386 1.00 0.00 N ATOM 492 CA HIS A 38 4.540 -8.953 -5.676 1.00 0.00 C ATOM 493 C HIS A 38 5.338 -9.284 -4.392 1.00 0.00 C ATOM 494 O HIS A 38 6.065 -10.275 -4.376 1.00 0.00 O ATOM 495 CB HIS A 38 5.360 -8.086 -6.656 1.00 0.00 C ATOM 496 CG HIS A 38 6.472 -8.777 -7.415 1.00 0.00 C ATOM 497 ND1 HIS A 38 7.351 -8.155 -8.274 1.00 0.00 N ATOM 498 CD2 HIS A 38 6.791 -10.111 -7.427 1.00 0.00 C ATOM 499 CE1 HIS A 38 8.179 -9.083 -8.788 1.00 0.00 C ATOM 500 NE2 HIS A 38 7.875 -10.297 -8.295 1.00 0.00 N ATOM 0 H HIS A 38 3.302 -7.276 -5.468 1.00 0.00 H new ATOM 0 HA HIS A 38 4.329 -9.913 -6.148 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.672 -7.652 -7.382 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.795 -7.259 -6.095 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.292 -10.886 -6.864 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.972 -8.882 -9.493 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.341 -11.178 -8.510 1.00 0.00 H new ATOM 507 N GLN A 39 5.172 -8.547 -3.278 1.00 0.00 N ATOM 508 CA GLN A 39 5.782 -8.909 -1.982 1.00 0.00 C ATOM 509 C GLN A 39 5.252 -10.236 -1.420 1.00 0.00 C ATOM 510 O GLN A 39 5.979 -10.936 -0.711 1.00 0.00 O ATOM 511 CB GLN A 39 5.609 -7.831 -0.906 1.00 0.00 C ATOM 512 CG GLN A 39 6.357 -6.529 -1.220 1.00 0.00 C ATOM 513 CD GLN A 39 6.419 -5.574 -0.022 1.00 0.00 C ATOM 514 OE1 GLN A 39 6.270 -5.945 1.126 1.00 0.00 O ATOM 515 NE2 GLN A 39 6.624 -4.294 -0.245 1.00 0.00 N ATOM 0 H GLN A 39 4.617 -7.692 -3.249 1.00 0.00 H new ATOM 0 HA GLN A 39 6.842 -9.011 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.548 -7.612 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.961 -8.222 0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.371 -6.767 -1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.867 -6.026 -2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.752 -3.957 -1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.655 -3.639 0.536 1.00 0.00 H new ATOM 522 N LEU A 40 4.024 -10.629 -1.771 1.00 0.00 N ATOM 523 CA LEU A 40 3.533 -11.988 -1.528 1.00 0.00 C ATOM 524 C LEU A 40 4.481 -13.053 -2.098 1.00 0.00 C ATOM 525 O LEU A 40 4.605 -14.116 -1.502 1.00 0.00 O ATOM 526 CB LEU A 40 2.140 -12.189 -2.148 1.00 0.00 C ATOM 527 CG LEU A 40 0.919 -11.712 -1.355 1.00 0.00 C ATOM 528 CD1 LEU A 40 0.756 -12.506 -0.058 1.00 0.00 C ATOM 529 CD2 LEU A 40 0.908 -10.223 -1.076 1.00 0.00 C ATOM 0 H LEU A 40 3.347 -10.019 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 40 3.479 -12.107 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.129 -11.682 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.014 -13.254 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 40 0.062 -11.903 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.119 -12.144 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.627 -13.563 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.644 -12.378 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.012 -9.965 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.792 -9.955 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.912 -9.676 -2.019 1.00 0.00 H new ATOM 540 N ASP A 41 5.150 -12.787 -3.221 1.00 0.00 N ATOM 541 CA ASP A 41 6.065 -13.726 -3.884 1.00 0.00 C ATOM 542 C ASP A 41 7.410 -13.871 -3.142 1.00 0.00 C ATOM 543 O ASP A 41 7.869 -14.999 -2.964 1.00 0.00 O ATOM 544 CB ASP A 41 6.281 -13.310 -5.344 1.00 0.00 C ATOM 545 CG ASP A 41 6.753 -14.493 -6.197 1.00 0.00 C ATOM 546 OD1 ASP A 41 5.892 -15.252 -6.708 1.00 0.00 O ATOM 547 OD2 ASP A 41 7.980 -14.661 -6.390 1.00 0.00 O ATOM 0 H ASP A 41 5.071 -11.894 -3.708 1.00 0.00 H new ATOM 0 HA ASP A 41 5.595 -14.709 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.352 -12.913 -5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.018 -12.508 -5.391 1.00 0.00 H new ATOM 551 N GLU A 42 8.011 -12.777 -2.633 1.00 0.00 N ATOM 552 CA GLU A 42 9.217 -12.882 -1.788 1.00 0.00 C ATOM 553 C GLU A 42 8.941 -13.671 -0.493 1.00 0.00 C ATOM 554 O GLU A 42 9.772 -14.451 -0.027 1.00 0.00 O ATOM 555 CB GLU A 42 9.864 -11.513 -1.466 1.00 0.00 C ATOM 556 CG GLU A 42 9.133 -10.587 -0.461 1.00 0.00 C ATOM 557 CD GLU A 42 10.042 -9.579 0.269 1.00 0.00 C ATOM 558 OE1 GLU A 42 11.159 -9.950 0.711 1.00 0.00 O ATOM 559 OE2 GLU A 42 9.612 -8.420 0.482 1.00 0.00 O ATOM 0 H GLU A 42 7.686 -11.823 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 42 9.941 -13.438 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.867 -11.699 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.977 -10.967 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.358 -10.036 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.630 -11.206 0.282 1.00 0.00 H new ATOM 564 N LEU A 43 7.733 -13.501 0.035 1.00 0.00 N ATOM 565 CA LEU A 43 7.218 -14.197 1.204 1.00 0.00 C ATOM 566 C LEU A 43 6.917 -15.665 0.879 1.00 0.00 C ATOM 567 O LEU A 43 7.292 -16.539 1.655 1.00 0.00 O ATOM 568 CB LEU A 43 6.023 -13.359 1.677 1.00 0.00 C ATOM 569 CG LEU A 43 5.072 -13.941 2.730 1.00 0.00 C ATOM 570 CD1 LEU A 43 4.009 -14.827 2.096 1.00 0.00 C ATOM 571 CD2 LEU A 43 5.758 -14.628 3.914 1.00 0.00 C ATOM 0 H LEU A 43 7.059 -12.845 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 43 7.935 -14.275 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.415 -12.421 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.428 -13.111 0.798 1.00 0.00 H new ATOM 0 HG LEU A 43 4.579 -13.074 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.354 -15.221 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.422 -14.241 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.489 -15.653 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.003 -15.006 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.366 -15.457 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.395 -13.911 4.432 1.00 0.00 H new ATOM 582 N ASN A 44 6.325 -15.967 -0.280 1.00 0.00 N ATOM 583 CA ASN A 44 6.069 -17.333 -0.749 1.00 0.00 C ATOM 584 C ASN A 44 7.338 -18.205 -0.785 1.00 0.00 C ATOM 585 O ASN A 44 7.238 -19.416 -0.625 1.00 0.00 O ATOM 586 CB ASN A 44 5.300 -17.289 -2.100 1.00 0.00 C ATOM 587 CG ASN A 44 5.927 -18.079 -3.239 1.00 0.00 C ATOM 588 OD1 ASN A 44 5.484 -19.158 -3.605 1.00 0.00 O ATOM 589 ND2 ASN A 44 6.967 -17.557 -3.843 1.00 0.00 N ATOM 0 H ASN A 44 6.003 -15.253 -0.933 1.00 0.00 H new ATOM 0 HA ASN A 44 5.429 -17.833 -0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.290 -17.663 -1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.207 -16.248 -2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.407 -18.051 -4.619 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.336 -16.657 -3.537 1.00 0.00 H new ATOM 595 N GLU A 45 8.523 -17.606 -0.934 1.00 0.00 N ATOM 596 CA GLU A 45 9.810 -18.303 -0.848 1.00 0.00 C ATOM 597 C GLU A 45 10.204 -18.690 0.596 1.00 0.00 C ATOM 598 O GLU A 45 10.915 -19.676 0.795 1.00 0.00 O ATOM 599 CB GLU A 45 10.890 -17.420 -1.497 1.00 0.00 C ATOM 600 CG GLU A 45 11.645 -18.135 -2.626 1.00 0.00 C ATOM 601 CD GLU A 45 10.745 -18.474 -3.833 1.00 0.00 C ATOM 602 OE1 GLU A 45 10.638 -17.645 -4.770 1.00 0.00 O ATOM 603 OE2 GLU A 45 10.175 -19.592 -3.881 1.00 0.00 O ATOM 0 H GLU A 45 8.617 -16.608 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 45 9.717 -19.247 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.425 -16.517 -1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.601 -17.104 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.469 -17.505 -2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.083 -19.054 -2.237 1.00 0.00 H new ATOM 608 N ASN A 46 9.714 -17.957 1.601 1.00 0.00 N ATOM 609 CA ASN A 46 9.914 -18.246 3.030 1.00 0.00 C ATOM 610 C ASN A 46 8.837 -19.197 3.597 1.00 0.00 C ATOM 611 O ASN A 46 9.183 -20.172 4.271 1.00 0.00 O ATOM 612 CB ASN A 46 9.949 -16.914 3.806 1.00 0.00 C ATOM 613 CG ASN A 46 10.308 -17.139 5.265 1.00 0.00 C ATOM 614 OD1 ASN A 46 11.467 -17.289 5.631 1.00 0.00 O ATOM 615 ND2 ASN A 46 9.341 -17.195 6.154 1.00 0.00 N ATOM 0 H ASN A 46 9.151 -17.122 1.441 1.00 0.00 H new ATOM 0 HA ASN A 46 10.864 -18.767 3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.676 -16.243 3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.977 -16.425 3.739 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.560 -17.362 7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.372 -17.072 5.862 1.00 0.00 H new ATOM 621 N LYS A 47 7.547 -18.958 3.305 1.00 0.00 N ATOM 622 CA LYS A 47 6.403 -19.796 3.759 1.00 0.00 C ATOM 623 C LYS A 47 6.028 -20.911 2.772 1.00 0.00 C ATOM 624 O LYS A 47 4.892 -21.381 2.782 1.00 0.00 O ATOM 625 CB LYS A 47 5.208 -18.913 4.200 1.00 0.00 C ATOM 626 CG LYS A 47 4.541 -18.039 3.118 1.00 0.00 C ATOM 627 CD LYS A 47 3.453 -18.635 2.212 1.00 0.00 C ATOM 628 CE LYS A 47 2.256 -19.181 2.997 1.00 0.00 C ATOM 629 NZ LYS A 47 2.232 -20.663 3.039 1.00 0.00 N ATOM 0 H LYS A 47 7.255 -18.163 2.736 1.00 0.00 H new ATOM 0 HA LYS A 47 6.733 -20.339 4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.445 -19.565 4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.550 -18.257 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.106 -17.175 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.333 -17.665 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.107 -17.870 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.885 -19.437 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.286 -18.792 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.333 -18.819 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.582 -20.979 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.908 -21.031 2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.188 -21.020 3.237 1.00 0.00 H new ATOM 639 N SER A 48 6.954 -21.293 1.891 1.00 0.00 N ATOM 640 CA SER A 48 6.783 -22.252 0.787 1.00 0.00 C ATOM 641 C SER A 48 6.269 -23.624 1.263 1.00 0.00 C ATOM 642 O SER A 48 7.046 -24.456 1.739 1.00 0.00 O ATOM 643 CB SER A 48 8.109 -22.372 0.015 1.00 0.00 C ATOM 644 OG SER A 48 7.881 -22.836 -1.297 1.00 0.00 O ATOM 0 H SER A 48 7.903 -20.921 1.927 1.00 0.00 H new ATOM 0 HA SER A 48 6.011 -21.872 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.606 -21.402 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.779 -23.056 0.537 1.00 0.00 H new ATOM 0 HG SER A 48 8.735 -22.904 -1.773 1.00 0.00 H new ATOM 649 N LYS A 49 4.943 -23.833 1.204 1.00 0.00 N ATOM 650 CA LYS A 49 4.227 -25.011 1.736 1.00 0.00 C ATOM 651 C LYS A 49 2.991 -25.387 0.892 1.00 0.00 C ATOM 652 O LYS A 49 3.068 -26.319 0.089 1.00 0.00 O ATOM 653 CB LYS A 49 3.888 -24.773 3.232 1.00 0.00 C ATOM 654 CG LYS A 49 4.832 -25.474 4.217 1.00 0.00 C ATOM 655 CD LYS A 49 4.682 -27.002 4.163 1.00 0.00 C ATOM 656 CE LYS A 49 5.451 -27.670 5.307 1.00 0.00 C ATOM 657 NZ LYS A 49 5.340 -29.148 5.235 1.00 0.00 N ATOM 0 H LYS A 49 4.313 -23.160 0.767 1.00 0.00 H new ATOM 0 HA LYS A 49 4.883 -25.879 1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.907 -23.701 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.870 -25.113 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.863 -25.202 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.626 -25.124 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.627 -27.270 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.050 -27.374 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.500 -27.379 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.063 -27.319 6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.870 -29.575 6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.340 -29.425 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.732 -29.482 4.332 1.00 0.00 H new ATOM 667 N GLU A 50 1.879 -24.649 1.024 1.00 0.00 N ATOM 668 CA GLU A 50 0.615 -24.857 0.269 1.00 0.00 C ATOM 669 C GLU A 50 -0.081 -23.528 -0.039 1.00 0.00 C ATOM 670 O GLU A 50 -0.321 -23.211 -1.202 1.00 0.00 O ATOM 671 CB GLU A 50 -0.376 -25.716 1.082 1.00 0.00 C ATOM 672 CG GLU A 50 -0.123 -27.227 1.047 1.00 0.00 C ATOM 673 CD GLU A 50 -0.439 -27.819 -0.340 1.00 0.00 C ATOM 674 OE1 GLU A 50 -1.625 -27.794 -0.755 1.00 0.00 O ATOM 675 OE2 GLU A 50 0.486 -28.311 -1.026 1.00 0.00 O ATOM 0 H GLU A 50 1.823 -23.866 1.675 1.00 0.00 H new ATOM 0 HA GLU A 50 0.890 -25.359 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.350 -25.385 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.383 -25.525 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.917 -27.429 1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.737 -27.718 1.802 1.00 0.00 H new ATOM 680 N LEU A 51 -0.345 -22.704 0.982 1.00 0.00 N ATOM 681 CA LEU A 51 -0.956 -21.373 0.831 1.00 0.00 C ATOM 682 C LEU A 51 -0.112 -20.377 0.014 1.00 0.00 C ATOM 683 O LEU A 51 -0.604 -19.302 -0.293 1.00 0.00 O ATOM 684 CB LEU A 51 -1.350 -20.802 2.213 1.00 0.00 C ATOM 685 CG LEU A 51 -2.865 -20.766 2.486 1.00 0.00 C ATOM 686 CD1 LEU A 51 -3.506 -22.150 2.418 1.00 0.00 C ATOM 687 CD2 LEU A 51 -3.126 -20.210 3.888 1.00 0.00 C ATOM 0 H LEU A 51 -0.138 -22.944 1.951 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.859 -21.516 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.869 -21.399 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.955 -19.790 2.299 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.303 -20.135 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.574 -22.066 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.355 -22.573 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.047 -22.800 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.199 -20.187 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.642 -20.847 4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.723 -19.200 3.960 1.00 0.00 H new ATOM 698 N GLN A 52 1.123 -20.730 -0.355 1.00 0.00 N ATOM 699 CA GLN A 52 2.053 -19.921 -1.164 1.00 0.00 C ATOM 700 C GLN A 52 1.444 -19.378 -2.475 1.00 0.00 C ATOM 701 O GLN A 52 1.850 -18.318 -2.942 1.00 0.00 O ATOM 702 CB GLN A 52 3.319 -20.766 -1.428 1.00 0.00 C ATOM 703 CG GLN A 52 3.147 -21.764 -2.585 1.00 0.00 C ATOM 704 CD GLN A 52 4.276 -22.785 -2.686 1.00 0.00 C ATOM 705 OE1 GLN A 52 4.565 -23.517 -1.749 1.00 0.00 O ATOM 706 NE2 GLN A 52 4.926 -22.907 -3.828 1.00 0.00 N ATOM 0 H GLN A 52 1.525 -21.629 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 52 2.301 -19.024 -0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.153 -20.100 -1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.580 -21.312 -0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.202 -22.292 -2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.083 -21.212 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.692 -22.302 -4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.662 -23.607 -3.924 1.00 0.00 H new ATOM 713 N GLU A 53 0.449 -20.079 -3.033 1.00 0.00 N ATOM 714 CA GLU A 53 -0.264 -19.695 -4.265 1.00 0.00 C ATOM 715 C GLU A 53 -1.759 -19.364 -4.025 1.00 0.00 C ATOM 716 O GLU A 53 -2.512 -19.142 -4.973 1.00 0.00 O ATOM 717 CB GLU A 53 -0.009 -20.732 -5.382 1.00 0.00 C ATOM 718 CG GLU A 53 -1.026 -21.876 -5.490 1.00 0.00 C ATOM 719 CD GLU A 53 -0.585 -22.901 -6.556 1.00 0.00 C ATOM 720 OE1 GLU A 53 -0.711 -22.619 -7.771 1.00 0.00 O ATOM 721 OE2 GLU A 53 -0.120 -24.006 -6.183 1.00 0.00 O ATOM 0 H GLU A 53 0.106 -20.952 -2.632 1.00 0.00 H new ATOM 0 HA GLU A 53 0.152 -18.751 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.019 -20.207 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.979 -21.166 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.128 -22.370 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.006 -21.475 -5.748 1.00 0.00 H new ATOM 726 N LYS A 54 -2.185 -19.291 -2.754 1.00 0.00 N ATOM 727 CA LYS A 54 -3.598 -19.187 -2.323 1.00 0.00 C ATOM 728 C LYS A 54 -3.837 -17.976 -1.424 1.00 0.00 C ATOM 729 O LYS A 54 -4.706 -17.158 -1.711 1.00 0.00 O ATOM 730 CB LYS A 54 -4.024 -20.471 -1.584 1.00 0.00 C ATOM 731 CG LYS A 54 -3.732 -21.771 -2.348 1.00 0.00 C ATOM 732 CD LYS A 54 -4.078 -23.019 -1.516 1.00 0.00 C ATOM 733 CE LYS A 54 -4.826 -24.049 -2.366 1.00 0.00 C ATOM 734 NZ LYS A 54 -4.660 -25.430 -1.846 1.00 0.00 N ATOM 0 H LYS A 54 -1.536 -19.303 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.201 -19.060 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.514 -20.508 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.093 -20.418 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.305 -21.783 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.678 -21.800 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.164 -23.462 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.690 -22.733 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.886 -23.797 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.463 -24.003 -3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.183 -26.094 -2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.651 -25.682 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.030 -25.482 -0.875 1.00 0.00 H new ATOM 744 N ILE A 55 -3.019 -17.796 -0.383 1.00 0.00 N ATOM 745 CA ILE A 55 -3.061 -16.598 0.462 1.00 0.00 C ATOM 746 C ILE A 55 -2.535 -15.362 -0.269 1.00 0.00 C ATOM 747 O ILE A 55 -2.967 -14.253 0.013 1.00 0.00 O ATOM 748 CB ILE A 55 -2.334 -16.854 1.799 1.00 0.00 C ATOM 749 CG1 ILE A 55 -2.842 -15.986 2.965 1.00 0.00 C ATOM 750 CG2 ILE A 55 -0.819 -16.665 1.658 1.00 0.00 C ATOM 751 CD1 ILE A 55 -4.268 -16.305 3.432 1.00 0.00 C ATOM 0 H ILE A 55 -2.311 -18.474 -0.102 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.104 -16.382 0.694 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.562 -17.892 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.163 -16.104 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.799 -14.939 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.338 -16.853 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.433 -17.363 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.608 -15.644 1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.538 -15.644 4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.963 -16.158 2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.318 -17.341 3.768 1.00 0.00 H new ATOM 762 N ILE A 56 -1.678 -15.547 -1.289 1.00 0.00 N ATOM 763 CA ILE A 56 -1.371 -14.496 -2.275 1.00 0.00 C ATOM 764 C ILE A 56 -2.650 -13.962 -2.924 1.00 0.00 C ATOM 765 O ILE A 56 -2.799 -12.749 -3.024 1.00 0.00 O ATOM 766 CB ILE A 56 -0.295 -14.914 -3.313 1.00 0.00 C ATOM 767 CG1 ILE A 56 -0.104 -13.839 -4.419 1.00 0.00 C ATOM 768 CG2 ILE A 56 -0.599 -16.263 -3.966 1.00 0.00 C ATOM 769 CD1 ILE A 56 1.120 -14.044 -5.317 1.00 0.00 C ATOM 0 H ILE A 56 -1.182 -16.423 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.915 -13.673 -1.725 1.00 0.00 H new ATOM 0 HB ILE A 56 0.632 -15.009 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.996 -13.821 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.028 -12.861 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.186 -16.505 -4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.642 -17.037 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.558 -16.210 -4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.167 -13.244 -6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.024 -14.029 -4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.041 -15.004 -5.826 1.00 0.00 H new ATOM 780 N ARG A 57 -3.598 -14.835 -3.282 1.00 0.00 N ATOM 781 CA ARG A 57 -4.876 -14.463 -3.920 1.00 0.00 C ATOM 782 C ARG A 57 -5.869 -13.880 -2.911 1.00 0.00 C ATOM 783 O ARG A 57 -6.505 -12.874 -3.211 1.00 0.00 O ATOM 784 CB ARG A 57 -5.498 -15.665 -4.652 1.00 0.00 C ATOM 785 CG ARG A 57 -4.506 -16.377 -5.581 1.00 0.00 C ATOM 786 CD ARG A 57 -5.140 -17.570 -6.301 1.00 0.00 C ATOM 787 NE ARG A 57 -5.800 -17.189 -7.566 1.00 0.00 N ATOM 788 CZ ARG A 57 -6.533 -17.988 -8.323 1.00 0.00 C ATOM 789 NH1 ARG A 57 -6.905 -19.172 -7.923 1.00 0.00 N ATOM 790 NH2 ARG A 57 -6.900 -17.617 -9.515 1.00 0.00 N ATOM 0 H ARG A 57 -3.501 -15.840 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.654 -13.687 -4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.874 -16.376 -3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.354 -15.326 -5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.129 -15.668 -6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.649 -16.719 -5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.371 -18.315 -6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.870 -18.040 -5.642 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.680 -16.227 -7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.631 -19.508 -7.000 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.470 -19.762 -8.533 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.622 -16.703 -9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.465 -18.240 -10.092 1.00 0.00 H new ATOM 801 N GLU A 58 -5.977 -14.453 -1.706 1.00 0.00 N ATOM 802 CA GLU A 58 -6.827 -13.897 -0.639 1.00 0.00 C ATOM 803 C GLU A 58 -6.372 -12.500 -0.202 1.00 0.00 C ATOM 804 O GLU A 58 -7.186 -11.580 -0.096 1.00 0.00 O ATOM 805 CB GLU A 58 -6.828 -14.794 0.603 1.00 0.00 C ATOM 806 CG GLU A 58 -7.481 -16.166 0.394 1.00 0.00 C ATOM 807 CD GLU A 58 -8.456 -16.496 1.541 1.00 0.00 C ATOM 808 OE1 GLU A 58 -9.611 -16.003 1.523 1.00 0.00 O ATOM 809 OE2 GLU A 58 -8.080 -17.248 2.473 1.00 0.00 O ATOM 0 H GLU A 58 -5.484 -15.306 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.829 -13.838 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.799 -14.941 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.348 -14.277 1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.015 -16.177 -0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.710 -16.934 0.335 1.00 0.00 H new ATOM 814 N LEU A 59 -5.068 -12.325 0.022 1.00 0.00 N ATOM 815 CA LEU A 59 -4.519 -11.045 0.436 1.00 0.00 C ATOM 816 C LEU A 59 -4.513 -10.052 -0.727 1.00 0.00 C ATOM 817 O LEU A 59 -4.870 -8.905 -0.501 1.00 0.00 O ATOM 818 CB LEU A 59 -3.133 -11.248 1.063 1.00 0.00 C ATOM 819 CG LEU A 59 -2.618 -10.010 1.809 1.00 0.00 C ATOM 820 CD1 LEU A 59 -3.470 -9.625 3.028 1.00 0.00 C ATOM 821 CD2 LEU A 59 -1.203 -10.294 2.320 1.00 0.00 C ATOM 0 H LEU A 59 -4.373 -13.064 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.157 -10.606 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.174 -12.089 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.423 -11.514 0.280 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.656 -9.186 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.045 -8.742 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.489 -9.409 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.481 -10.451 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.826 -9.421 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.225 -11.149 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.549 -10.515 1.476 1.00 0.00 H new ATOM 832 N ASP A 60 -4.231 -10.476 -1.966 1.00 0.00 N ATOM 833 CA ASP A 60 -4.469 -9.679 -3.188 1.00 0.00 C ATOM 834 C ASP A 60 -5.919 -9.185 -3.290 1.00 0.00 C ATOM 835 O ASP A 60 -6.134 -8.033 -3.659 1.00 0.00 O ATOM 836 CB ASP A 60 -4.095 -10.480 -4.444 1.00 0.00 C ATOM 837 CG ASP A 60 -4.605 -9.850 -5.752 1.00 0.00 C ATOM 838 OD1 ASP A 60 -4.001 -8.860 -6.219 1.00 0.00 O ATOM 839 OD2 ASP A 60 -5.593 -10.364 -6.321 1.00 0.00 O ATOM 0 H ASP A 60 -3.826 -11.393 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.827 -8.801 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.010 -10.574 -4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.499 -11.489 -4.355 1.00 0.00 H new ATOM 843 N VAL A 61 -6.913 -10.003 -2.922 1.00 0.00 N ATOM 844 CA VAL A 61 -8.324 -9.582 -2.876 1.00 0.00 C ATOM 845 C VAL A 61 -8.529 -8.415 -1.902 1.00 0.00 C ATOM 846 O VAL A 61 -9.152 -7.424 -2.280 1.00 0.00 O ATOM 847 CB VAL A 61 -9.270 -10.785 -2.612 1.00 0.00 C ATOM 848 CG1 VAL A 61 -10.211 -10.674 -1.404 1.00 0.00 C ATOM 849 CG2 VAL A 61 -10.131 -11.026 -3.849 1.00 0.00 C ATOM 0 H VAL A 61 -6.765 -10.974 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.597 -9.201 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.592 -11.607 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.817 -11.577 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -9.623 -10.557 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.862 -9.809 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.797 -11.870 -3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.722 -10.135 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.489 -11.246 -4.702 1.00 0.00 H new ATOM 859 N VAL A 62 -7.951 -8.471 -0.695 1.00 0.00 N ATOM 860 CA VAL A 62 -8.016 -7.366 0.278 1.00 0.00 C ATOM 861 C VAL A 62 -7.142 -6.171 -0.125 1.00 0.00 C ATOM 862 O VAL A 62 -7.501 -5.022 0.113 1.00 0.00 O ATOM 863 CB VAL A 62 -7.724 -7.876 1.714 1.00 0.00 C ATOM 864 CG1 VAL A 62 -6.493 -7.278 2.411 1.00 0.00 C ATOM 865 CG2 VAL A 62 -8.947 -7.620 2.607 1.00 0.00 C ATOM 0 H VAL A 62 -7.426 -9.280 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.037 -6.984 0.275 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.505 -8.936 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.393 -7.711 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.600 -7.501 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.611 -6.198 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.742 -7.978 3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.158 -6.551 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.810 -8.149 2.202 1.00 0.00 H new ATOM 875 N CYS A 63 -6.033 -6.428 -0.822 1.00 0.00 N ATOM 876 CA CYS A 63 -5.106 -5.444 -1.372 1.00 0.00 C ATOM 877 C CYS A 63 -5.786 -4.604 -2.466 1.00 0.00 C ATOM 878 O CYS A 63 -5.869 -3.384 -2.361 1.00 0.00 O ATOM 879 CB CYS A 63 -3.880 -6.220 -1.878 1.00 0.00 C ATOM 880 SG CYS A 63 -2.411 -5.186 -1.924 1.00 0.00 S ATOM 0 H CYS A 63 -5.744 -7.384 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.788 -4.724 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.700 -7.079 -1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.082 -6.609 -2.876 1.00 0.00 H new ATOM 0 HG CYS A 63 -2.082 -4.954 -3.160 1.00 0.00 H new ATOM 885 N ALA A 64 -6.382 -5.247 -3.470 1.00 0.00 N ATOM 886 CA ALA A 64 -7.189 -4.597 -4.502 1.00 0.00 C ATOM 887 C ALA A 64 -8.475 -3.939 -3.946 1.00 0.00 C ATOM 888 O ALA A 64 -8.940 -2.932 -4.486 1.00 0.00 O ATOM 889 CB ALA A 64 -7.506 -5.643 -5.573 1.00 0.00 C ATOM 0 H ALA A 64 -6.315 -6.258 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.619 -3.773 -4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.109 -5.188 -6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.577 -6.019 -6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.059 -6.468 -5.124 1.00 0.00 H new ATOM 895 N MET A 65 -9.038 -4.457 -2.852 1.00 0.00 N ATOM 896 CA MET A 65 -10.166 -3.828 -2.145 1.00 0.00 C ATOM 897 C MET A 65 -9.759 -2.514 -1.454 1.00 0.00 C ATOM 898 O MET A 65 -10.457 -1.506 -1.598 1.00 0.00 O ATOM 899 CB MET A 65 -10.770 -4.846 -1.171 1.00 0.00 C ATOM 900 CG MET A 65 -12.101 -4.420 -0.543 1.00 0.00 C ATOM 901 SD MET A 65 -13.237 -5.823 -0.338 1.00 0.00 S ATOM 902 CE MET A 65 -14.618 -5.024 0.506 1.00 0.00 C ATOM 0 H MET A 65 -8.725 -5.329 -2.426 1.00 0.00 H new ATOM 0 HA MET A 65 -10.929 -3.543 -2.869 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.918 -5.789 -1.698 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.052 -5.036 -0.373 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.913 -3.961 0.428 1.00 0.00 H new ATOM 0 HG3 MET A 65 -12.571 -3.662 -1.169 1.00 0.00 H new ATOM 0 HE1 MET A 65 -15.399 -5.759 0.702 1.00 0.00 H new ATOM 0 HE2 MET A 65 -14.273 -4.602 1.450 1.00 0.00 H new ATOM 0 HE3 MET A 65 -15.018 -4.228 -0.123 1.00 0.00 H new ATOM 910 N ILE A 66 -8.610 -2.483 -0.767 1.00 0.00 N ATOM 911 CA ILE A 66 -8.082 -1.262 -0.129 1.00 0.00 C ATOM 912 C ILE A 66 -7.446 -0.291 -1.160 1.00 0.00 C ATOM 913 O ILE A 66 -7.507 0.920 -0.962 1.00 0.00 O ATOM 914 CB ILE A 66 -7.177 -1.615 1.072 1.00 0.00 C ATOM 915 CG1 ILE A 66 -7.163 -0.480 2.122 1.00 0.00 C ATOM 916 CG2 ILE A 66 -5.750 -2.034 0.686 1.00 0.00 C ATOM 917 CD1 ILE A 66 -8.108 -0.780 3.292 1.00 0.00 C ATOM 0 H ILE A 66 -8.017 -3.302 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.916 -0.698 0.288 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.628 -2.500 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.149 -0.345 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.455 0.457 1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.182 -2.264 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.790 -2.916 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.264 -1.219 0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -8.071 0.040 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.126 -0.890 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.800 -1.704 3.781 1.00 0.00 H new ATOM 928 N GLU A 67 -6.966 -0.780 -2.312 1.00 0.00 N ATOM 929 CA GLU A 67 -6.638 0.039 -3.495 1.00 0.00 C ATOM 930 C GLU A 67 -7.853 0.857 -3.953 1.00 0.00 C ATOM 931 O GLU A 67 -7.755 2.070 -4.148 1.00 0.00 O ATOM 932 CB GLU A 67 -6.176 -0.861 -4.654 1.00 0.00 C ATOM 933 CG GLU A 67 -5.680 -0.100 -5.889 1.00 0.00 C ATOM 934 CD GLU A 67 -5.506 -1.060 -7.088 1.00 0.00 C ATOM 935 OE1 GLU A 67 -4.495 -1.800 -7.133 1.00 0.00 O ATOM 936 OE2 GLU A 67 -6.389 -1.087 -7.977 1.00 0.00 O ATOM 0 H GLU A 67 -6.790 -1.775 -2.454 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.836 0.721 -3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.376 -1.510 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.003 -1.507 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.389 0.687 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.731 0.387 -5.666 1.00 0.00 H new ATOM 941 N GLY A 68 -9.017 0.207 -4.088 1.00 0.00 N ATOM 942 CA GLY A 68 -10.279 0.865 -4.423 1.00 0.00 C ATOM 943 C GLY A 68 -10.636 1.989 -3.444 1.00 0.00 C ATOM 944 O GLY A 68 -11.034 3.076 -3.862 1.00 0.00 O ATOM 0 H GLY A 68 -9.106 -0.802 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.215 1.273 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.080 0.125 -4.429 1.00 0.00 H new ATOM 948 N ALA A 69 -10.426 1.766 -2.137 1.00 0.00 N ATOM 949 CA ALA A 69 -10.634 2.773 -1.100 1.00 0.00 C ATOM 950 C ALA A 69 -9.597 3.920 -1.122 1.00 0.00 C ATOM 951 O ALA A 69 -9.964 5.076 -0.913 1.00 0.00 O ATOM 952 CB ALA A 69 -10.673 2.062 0.254 1.00 0.00 C ATOM 0 H ALA A 69 -10.103 0.869 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.584 3.271 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.828 2.795 1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.490 1.341 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.729 1.543 0.420 1.00 0.00 H new ATOM 958 N GLN A 70 -8.324 3.640 -1.431 1.00 0.00 N ATOM 959 CA GLN A 70 -7.285 4.660 -1.638 1.00 0.00 C ATOM 960 C GLN A 70 -7.608 5.563 -2.839 1.00 0.00 C ATOM 961 O GLN A 70 -7.585 6.791 -2.715 1.00 0.00 O ATOM 962 CB GLN A 70 -5.918 3.970 -1.802 1.00 0.00 C ATOM 963 CG GLN A 70 -4.778 4.956 -2.110 1.00 0.00 C ATOM 964 CD GLN A 70 -3.409 4.283 -2.023 1.00 0.00 C ATOM 965 OE1 GLN A 70 -3.128 3.288 -2.680 1.00 0.00 O ATOM 966 NE2 GLN A 70 -2.504 4.793 -1.216 1.00 0.00 N ATOM 0 H GLN A 70 -7.981 2.686 -1.546 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.251 5.309 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.681 3.424 -0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.982 3.236 -2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.916 5.372 -3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.819 5.790 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.723 5.621 -0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.583 4.360 -1.144 1.00 0.00 H new ATOM 973 N GLY A 71 -7.977 4.961 -3.976 1.00 0.00 N ATOM 974 CA GLY A 71 -8.449 5.676 -5.160 1.00 0.00 C ATOM 975 C GLY A 71 -9.721 6.483 -4.886 1.00 0.00 C ATOM 976 O GLY A 71 -9.829 7.630 -5.319 1.00 0.00 O ATOM 0 H GLY A 71 -7.954 3.949 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.665 6.347 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.641 4.961 -5.960 1.00 0.00 H new ATOM 980 N ALA A 72 -10.666 5.943 -4.113 1.00 0.00 N ATOM 981 CA ALA A 72 -11.857 6.679 -3.693 1.00 0.00 C ATOM 982 C ALA A 72 -11.523 7.904 -2.822 1.00 0.00 C ATOM 983 O ALA A 72 -12.071 8.982 -3.065 1.00 0.00 O ATOM 984 CB ALA A 72 -12.816 5.718 -2.986 1.00 0.00 C ATOM 0 H ALA A 72 -10.626 4.986 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.343 7.082 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.707 6.260 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.101 4.919 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.324 5.289 -2.113 1.00 0.00 H new ATOM 990 N LEU A 73 -10.600 7.782 -1.855 1.00 0.00 N ATOM 991 CA LEU A 73 -10.163 8.924 -1.037 1.00 0.00 C ATOM 992 C LEU A 73 -9.489 10.017 -1.881 1.00 0.00 C ATOM 993 O LEU A 73 -9.834 11.184 -1.717 1.00 0.00 O ATOM 994 CB LEU A 73 -9.255 8.495 0.129 1.00 0.00 C ATOM 995 CG LEU A 73 -9.932 8.684 1.511 1.00 0.00 C ATOM 996 CD1 LEU A 73 -10.513 7.366 2.021 1.00 0.00 C ATOM 997 CD2 LEU A 73 -8.953 9.220 2.556 1.00 0.00 C ATOM 0 H LEU A 73 -10.141 6.902 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.069 9.350 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.979 7.448 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.332 9.074 0.098 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.731 9.411 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.982 7.527 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.258 6.999 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.714 6.631 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.467 9.338 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.127 8.519 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.566 10.186 2.231 1.00 0.00 H new ATOM 1008 N GLU A 74 -8.575 9.677 -2.801 1.00 0.00 N ATOM 1009 CA GLU A 74 -7.923 10.690 -3.653 1.00 0.00 C ATOM 1010 C GLU A 74 -8.902 11.355 -4.646 1.00 0.00 C ATOM 1011 O GLU A 74 -8.796 12.554 -4.916 1.00 0.00 O ATOM 1012 CB GLU A 74 -6.660 10.127 -4.345 1.00 0.00 C ATOM 1013 CG GLU A 74 -6.899 9.524 -5.743 1.00 0.00 C ATOM 1014 CD GLU A 74 -5.664 8.804 -6.310 1.00 0.00 C ATOM 1015 OE1 GLU A 74 -5.235 7.780 -5.725 1.00 0.00 O ATOM 1016 OE2 GLU A 74 -5.147 9.240 -7.372 1.00 0.00 O ATOM 0 H GLU A 74 -8.271 8.719 -2.976 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.589 11.490 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.924 10.926 -4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.224 9.360 -3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.730 8.821 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.196 10.318 -6.428 1.00 0.00 H new ATOM 1021 N ARG A 75 -9.893 10.604 -5.160 1.00 0.00 N ATOM 1022 CA ARG A 75 -10.957 11.112 -6.048 1.00 0.00 C ATOM 1023 C ARG A 75 -11.931 12.047 -5.328 1.00 0.00 C ATOM 1024 O ARG A 75 -12.288 13.088 -5.879 1.00 0.00 O ATOM 1025 CB ARG A 75 -11.712 9.939 -6.685 1.00 0.00 C ATOM 1026 CG ARG A 75 -10.925 9.297 -7.843 1.00 0.00 C ATOM 1027 CD ARG A 75 -11.661 8.042 -8.318 1.00 0.00 C ATOM 1028 NE ARG A 75 -11.125 7.526 -9.595 1.00 0.00 N ATOM 1029 CZ ARG A 75 -11.666 6.565 -10.328 1.00 0.00 C ATOM 1030 NH1 ARG A 75 -12.718 5.903 -9.926 1.00 0.00 N ATOM 1031 NH2 ARG A 75 -11.167 6.243 -11.481 1.00 0.00 N ATOM 0 H ARG A 75 -9.979 9.606 -4.966 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.473 11.702 -6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.915 9.185 -5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.677 10.288 -7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.822 10.005 -8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.918 9.040 -7.515 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.584 7.268 -7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.721 8.268 -8.436 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.263 7.947 -9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.145 6.121 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.113 5.168 -10.512 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.345 6.732 -11.836 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.596 5.500 -12.033 1.00 0.00 H new ATOM 1042 N GLU A 76 -12.322 11.743 -4.086 1.00 0.00 N ATOM 1043 CA GLU A 76 -13.038 12.713 -3.246 1.00 0.00 C ATOM 1044 C GLU A 76 -12.155 13.919 -2.889 1.00 0.00 C ATOM 1045 O GLU A 76 -12.645 15.049 -2.924 1.00 0.00 O ATOM 1046 CB GLU A 76 -13.622 12.056 -1.983 1.00 0.00 C ATOM 1047 CG GLU A 76 -15.080 11.640 -2.220 1.00 0.00 C ATOM 1048 CD GLU A 76 -15.721 11.061 -0.938 1.00 0.00 C ATOM 1049 OE1 GLU A 76 -15.644 9.828 -0.714 1.00 0.00 O ATOM 1050 OE2 GLU A 76 -16.331 11.833 -0.159 1.00 0.00 O ATOM 0 H GLU A 76 -12.157 10.840 -3.641 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.875 13.084 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.028 11.183 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.567 12.751 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.655 12.502 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.122 10.897 -3.016 1.00 0.00 H new ATOM 1055 N LEU A 77 -10.851 13.728 -2.650 1.00 0.00 N ATOM 1056 CA LEU A 77 -9.935 14.847 -2.420 1.00 0.00 C ATOM 1057 C LEU A 77 -9.859 15.799 -3.618 1.00 0.00 C ATOM 1058 O LEU A 77 -9.879 17.006 -3.411 1.00 0.00 O ATOM 1059 CB LEU A 77 -8.525 14.367 -2.022 1.00 0.00 C ATOM 1060 CG LEU A 77 -7.882 15.337 -1.016 1.00 0.00 C ATOM 1061 CD1 LEU A 77 -8.404 15.057 0.389 1.00 0.00 C ATOM 1062 CD2 LEU A 77 -6.363 15.203 -1.031 1.00 0.00 C ATOM 0 H LEU A 77 -10.409 12.809 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.352 15.406 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.585 13.370 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.898 14.289 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.148 16.353 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.942 15.749 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.486 15.188 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.157 14.034 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.929 15.898 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.085 14.184 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.987 15.431 -2.028 1.00 0.00 H new ATOM 1073 N LYS A 78 -9.843 15.285 -4.864 1.00 0.00 N ATOM 1074 CA LYS A 78 -9.885 16.085 -6.101 1.00 0.00 C ATOM 1075 C LYS A 78 -11.113 17.011 -6.175 1.00 0.00 C ATOM 1076 O LYS A 78 -10.989 18.156 -6.609 1.00 0.00 O ATOM 1077 CB LYS A 78 -9.799 15.138 -7.328 1.00 0.00 C ATOM 1078 CG LYS A 78 -9.927 15.824 -8.698 1.00 0.00 C ATOM 1079 CD LYS A 78 -8.712 16.682 -9.089 1.00 0.00 C ATOM 1080 CE LYS A 78 -9.154 17.818 -10.027 1.00 0.00 C ATOM 1081 NZ LYS A 78 -8.001 18.469 -10.693 1.00 0.00 N ATOM 0 H LYS A 78 -9.800 14.281 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.023 16.752 -6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.846 14.610 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.584 14.386 -7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.079 15.061 -9.461 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.817 16.454 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.246 17.097 -8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.962 16.063 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.832 17.421 -10.782 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.711 18.562 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.343 19.228 -11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.366 18.871 -9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.483 17.765 -11.257 1.00 0.00 H new ATOM 1091 N ARG A 79 -12.286 16.543 -5.726 1.00 0.00 N ATOM 1092 CA ARG A 79 -13.521 17.353 -5.615 1.00 0.00 C ATOM 1093 C ARG A 79 -13.496 18.333 -4.429 1.00 0.00 C ATOM 1094 O ARG A 79 -14.040 19.433 -4.542 1.00 0.00 O ATOM 1095 CB ARG A 79 -14.748 16.428 -5.531 1.00 0.00 C ATOM 1096 CG ARG A 79 -15.133 15.908 -6.922 1.00 0.00 C ATOM 1097 CD ARG A 79 -16.298 14.915 -6.837 1.00 0.00 C ATOM 1098 NE ARG A 79 -16.922 14.705 -8.161 1.00 0.00 N ATOM 1099 CZ ARG A 79 -17.902 15.415 -8.703 1.00 0.00 C ATOM 1100 NH1 ARG A 79 -18.465 16.413 -8.079 1.00 0.00 N ATOM 1101 NH2 ARG A 79 -18.341 15.138 -9.894 1.00 0.00 N ATOM 0 H ARG A 79 -12.412 15.577 -5.424 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.584 17.966 -6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.532 15.588 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.588 16.969 -5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.411 16.745 -7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.272 15.425 -7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -15.939 13.963 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.045 15.286 -6.135 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.560 13.931 -8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.154 16.670 -7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.217 16.936 -8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -17.931 14.368 -10.422 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -19.095 15.691 -10.301 1.00 0.00 H new ATOM 1112 N THR A 80 -12.811 17.982 -3.348 1.00 0.00 N ATOM 1113 CA THR A 80 -12.636 18.801 -2.128 1.00 0.00 C ATOM 1114 C THR A 80 -11.259 19.503 -2.108 1.00 0.00 C ATOM 1115 O THR A 80 -10.667 19.728 -1.049 1.00 0.00 O ATOM 1116 CB THR A 80 -12.910 17.952 -0.859 1.00 0.00 C ATOM 1117 OG1 THR A 80 -14.108 17.215 -1.021 1.00 0.00 O ATOM 1118 CG2 THR A 80 -13.140 18.766 0.413 1.00 0.00 C ATOM 0 H THR A 80 -12.337 17.081 -3.282 1.00 0.00 H new ATOM 0 HA THR A 80 -13.375 19.602 -2.136 1.00 0.00 H new ATOM 0 HB THR A 80 -12.014 17.341 -0.750 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.937 16.434 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.324 18.091 1.249 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.258 19.371 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 80 -14.003 19.418 0.277 1.00 0.00 H new ATOM 1126 N ASP A 81 -10.711 19.858 -3.275 1.00 0.00 N ATOM 1127 CA ASP A 81 -9.377 20.456 -3.409 1.00 0.00 C ATOM 1128 C ASP A 81 -9.473 21.997 -3.431 1.00 0.00 C ATOM 1129 O ASP A 81 -9.471 22.625 -4.489 1.00 0.00 O ATOM 1130 CB ASP A 81 -8.640 19.855 -4.632 1.00 0.00 C ATOM 1131 CG ASP A 81 -7.140 19.708 -4.348 1.00 0.00 C ATOM 1132 OD1 ASP A 81 -6.415 20.732 -4.359 1.00 0.00 O ATOM 1133 OD2 ASP A 81 -6.675 18.569 -4.108 1.00 0.00 O ATOM 0 H ASP A 81 -11.189 19.736 -4.168 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.771 20.208 -2.537 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.065 18.881 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.789 20.495 -5.502 1.00 0.00 H new ATOM 1137 N LEU A 82 -9.635 22.612 -2.252 1.00 0.00 N ATOM 1138 CA LEU A 82 -9.861 24.063 -2.090 1.00 0.00 C ATOM 1139 C LEU A 82 -8.886 24.704 -1.081 1.00 0.00 C ATOM 1140 O LEU A 82 -8.103 24.018 -0.427 1.00 0.00 O ATOM 1141 CB LEU A 82 -11.322 24.402 -1.708 1.00 0.00 C ATOM 1142 CG LEU A 82 -12.445 23.491 -2.236 1.00 0.00 C ATOM 1143 CD1 LEU A 82 -12.835 22.459 -1.176 1.00 0.00 C ATOM 1144 CD2 LEU A 82 -13.696 24.323 -2.506 1.00 0.00 C ATOM 0 H LEU A 82 -9.613 22.110 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.664 24.494 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.387 24.413 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -11.528 25.416 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.082 23.004 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.630 21.822 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.968 21.847 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -13.185 22.972 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -14.490 23.676 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -14.022 24.800 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -13.471 25.088 -3.250 1.00 0.00 H new ATOM 1155 N ASN A 83 -8.968 26.029 -0.923 1.00 0.00 N ATOM 1156 CA ASN A 83 -8.115 26.815 -0.013 1.00 0.00 C ATOM 1157 C ASN A 83 -8.161 26.340 1.451 1.00 0.00 C ATOM 1158 O ASN A 83 -7.138 26.356 2.136 1.00 0.00 O ATOM 1159 CB ASN A 83 -8.475 28.311 -0.131 1.00 0.00 C ATOM 1160 CG ASN A 83 -8.241 28.945 -1.497 1.00 0.00 C ATOM 1161 OD1 ASN A 83 -8.198 28.299 -2.537 1.00 0.00 O ATOM 1162 ND2 ASN A 83 -8.108 30.253 -1.560 1.00 0.00 N ATOM 0 H ASN A 83 -9.642 26.601 -1.433 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.083 26.658 -0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -9.526 28.434 0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.896 28.864 0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.972 30.709 -2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.141 30.811 -0.707 1.00 0.00 H new ATOM 1168 N ILE A 84 -9.311 25.859 1.942 1.00 0.00 N ATOM 1169 CA ILE A 84 -9.416 25.248 3.286 1.00 0.00 C ATOM 1170 C ILE A 84 -8.533 24.003 3.467 1.00 0.00 C ATOM 1171 O ILE A 84 -8.077 23.731 4.578 1.00 0.00 O ATOM 1172 CB ILE A 84 -10.883 24.970 3.707 1.00 0.00 C ATOM 1173 CG1 ILE A 84 -11.817 24.254 2.704 1.00 0.00 C ATOM 1174 CG2 ILE A 84 -11.542 26.299 4.111 1.00 0.00 C ATOM 1175 CD1 ILE A 84 -11.395 22.842 2.277 1.00 0.00 C ATOM 0 H ILE A 84 -10.192 25.879 1.428 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.023 26.003 3.966 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.775 24.252 4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -12.813 24.196 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.899 24.872 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -12.575 26.117 4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.995 26.737 4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.524 26.986 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -12.125 22.441 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.416 22.884 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.344 22.197 3.154 1.00 0.00 H new ATOM 1186 N LEU A 85 -8.224 23.278 2.388 1.00 0.00 N ATOM 1187 CA LEU A 85 -7.356 22.098 2.400 1.00 0.00 C ATOM 1188 C LEU A 85 -5.886 22.459 2.641 1.00 0.00 C ATOM 1189 O LEU A 85 -5.142 21.625 3.151 1.00 0.00 O ATOM 1190 CB LEU A 85 -7.543 21.270 1.112 1.00 0.00 C ATOM 1191 CG LEU A 85 -7.506 19.756 1.395 1.00 0.00 C ATOM 1192 CD1 LEU A 85 -8.811 19.284 2.048 1.00 0.00 C ATOM 1193 CD2 LEU A 85 -7.313 18.970 0.104 1.00 0.00 C ATOM 0 H LEU A 85 -8.580 23.502 1.459 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.658 21.478 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.494 21.530 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.760 21.526 0.398 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.670 19.578 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.757 18.212 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.957 19.811 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.648 19.493 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.290 17.903 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.138 19.180 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.373 19.263 -0.363 1.00 0.00 H new ATOM 1204 N GLU A 86 -5.473 23.704 2.384 1.00 0.00 N ATOM 1205 CA GLU A 86 -4.136 24.207 2.744 1.00 0.00 C ATOM 1206 C GLU A 86 -3.904 24.239 4.268 1.00 0.00 C ATOM 1207 O GLU A 86 -2.764 24.107 4.716 1.00 0.00 O ATOM 1208 CB GLU A 86 -3.881 25.607 2.149 1.00 0.00 C ATOM 1209 CG GLU A 86 -3.971 25.654 0.617 1.00 0.00 C ATOM 1210 CD GLU A 86 -3.631 27.058 0.088 1.00 0.00 C ATOM 1211 OE1 GLU A 86 -2.426 27.399 -0.009 1.00 0.00 O ATOM 1212 OE2 GLU A 86 -4.561 27.829 -0.252 1.00 0.00 O ATOM 0 H GLU A 86 -6.057 24.398 1.918 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.425 23.502 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.604 26.307 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.892 25.948 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.286 24.923 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.976 25.375 0.299 1.00 0.00 H new ATOM 1217 N ARG A 87 -4.974 24.341 5.080 1.00 0.00 N ATOM 1218 CA ARG A 87 -4.918 24.196 6.548 1.00 0.00 C ATOM 1219 C ARG A 87 -5.296 22.783 6.989 1.00 0.00 C ATOM 1220 O ARG A 87 -4.560 22.182 7.773 1.00 0.00 O ATOM 1221 CB ARG A 87 -5.822 25.244 7.224 1.00 0.00 C ATOM 1222 CG ARG A 87 -5.529 25.312 8.731 1.00 0.00 C ATOM 1223 CD ARG A 87 -6.474 26.275 9.450 1.00 0.00 C ATOM 1224 NE ARG A 87 -6.050 26.468 10.849 1.00 0.00 N ATOM 1225 CZ ARG A 87 -6.679 27.166 11.784 1.00 0.00 C ATOM 1226 NH1 ARG A 87 -7.838 27.723 11.567 1.00 0.00 N ATOM 1227 NH2 ARG A 87 -6.146 27.324 12.959 1.00 0.00 N ATOM 0 H ARG A 87 -5.914 24.529 4.731 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.889 24.369 6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.658 26.222 6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.869 24.989 7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.625 24.317 9.165 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.498 25.630 8.887 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.488 27.234 8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.491 25.884 9.423 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.179 26.016 11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.287 27.628 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.296 28.254 12.308 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.237 26.910 13.167 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.636 27.863 13.673 1.00 0.00 H new ATOM 1238 N PHE A 88 -6.382 22.223 6.451 1.00 0.00 N ATOM 1239 CA PHE A 88 -6.821 20.851 6.737 1.00 0.00 C ATOM 1240 C PHE A 88 -5.756 19.787 6.442 1.00 0.00 C ATOM 1241 O PHE A 88 -5.828 18.712 7.029 1.00 0.00 O ATOM 1242 CB PHE A 88 -8.141 20.519 6.017 1.00 0.00 C ATOM 1243 CG PHE A 88 -9.376 20.619 6.890 1.00 0.00 C ATOM 1244 CD1 PHE A 88 -9.575 19.692 7.935 1.00 0.00 C ATOM 1245 CD2 PHE A 88 -10.348 21.604 6.640 1.00 0.00 C ATOM 1246 CE1 PHE A 88 -10.740 19.753 8.718 1.00 0.00 C ATOM 1247 CE2 PHE A 88 -11.516 21.661 7.418 1.00 0.00 C ATOM 1248 CZ PHE A 88 -11.712 20.735 8.458 1.00 0.00 C ATOM 0 H PHE A 88 -6.990 22.714 5.796 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.992 20.820 7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.256 21.193 5.168 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.077 19.508 5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.831 18.935 8.133 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.196 22.320 5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.889 19.045 9.520 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.263 22.415 7.218 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.609 20.778 9.057 1.00 0.00 H new ATOM 1257 N ASN A 89 -4.742 20.079 5.620 1.00 0.00 N ATOM 1258 CA ASN A 89 -3.567 19.225 5.395 1.00 0.00 C ATOM 1259 C ASN A 89 -2.973 18.636 6.700 1.00 0.00 C ATOM 1260 O ASN A 89 -2.554 17.480 6.703 1.00 0.00 O ATOM 1261 CB ASN A 89 -2.512 19.976 4.542 1.00 0.00 C ATOM 1262 CG ASN A 89 -1.372 20.582 5.347 1.00 0.00 C ATOM 1263 OD1 ASN A 89 -0.273 20.051 5.415 1.00 0.00 O ATOM 1264 ND2 ASN A 89 -1.596 21.686 6.013 1.00 0.00 N ATOM 0 H ASN A 89 -4.714 20.941 5.076 1.00 0.00 H new ATOM 0 HA ASN A 89 -3.902 18.355 4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -2.096 19.285 3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -3.010 20.770 3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.857 22.097 6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.510 22.136 5.962 1.00 0.00 H new ATOM 1270 N TYR A 90 -3.011 19.369 7.819 1.00 0.00 N ATOM 1271 CA TYR A 90 -2.529 18.891 9.122 1.00 0.00 C ATOM 1272 C TYR A 90 -3.151 17.540 9.548 1.00 0.00 C ATOM 1273 O TYR A 90 -2.487 16.722 10.182 1.00 0.00 O ATOM 1274 CB TYR A 90 -2.770 19.980 10.185 1.00 0.00 C ATOM 1275 CG TYR A 90 -1.765 19.989 11.329 1.00 0.00 C ATOM 1276 CD1 TYR A 90 -1.732 18.940 12.280 1.00 0.00 C ATOM 1277 CD2 TYR A 90 -0.863 21.065 11.464 1.00 0.00 C ATOM 1278 CE1 TYR A 90 -0.782 18.947 13.313 1.00 0.00 C ATOM 1279 CE2 TYR A 90 0.077 21.087 12.516 1.00 0.00 C ATOM 1280 CZ TYR A 90 0.127 20.020 13.433 1.00 0.00 C ATOM 1281 OH TYR A 90 1.037 20.017 14.450 1.00 0.00 O ATOM 0 H TYR A 90 -3.380 20.319 7.847 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.460 18.699 9.027 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.753 20.954 9.697 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.770 19.849 10.599 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.442 18.130 12.210 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.892 21.880 10.756 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.746 18.129 14.018 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.756 21.920 12.618 1.00 0.00 H new ATOM 0 HH TYR A 90 1.592 20.823 14.395 1.00 0.00 H new ATOM 1290 N GLU A 91 -4.390 17.262 9.128 1.00 0.00 N ATOM 1291 CA GLU A 91 -5.093 15.995 9.379 1.00 0.00 C ATOM 1292 C GLU A 91 -5.504 15.250 8.094 1.00 0.00 C ATOM 1293 O GLU A 91 -5.356 14.035 8.059 1.00 0.00 O ATOM 1294 CB GLU A 91 -6.310 16.236 10.296 1.00 0.00 C ATOM 1295 CG GLU A 91 -6.066 15.671 11.699 1.00 0.00 C ATOM 1296 CD GLU A 91 -7.289 15.871 12.609 1.00 0.00 C ATOM 1297 OE1 GLU A 91 -8.313 15.166 12.430 1.00 0.00 O ATOM 1298 OE2 GLU A 91 -7.231 16.720 13.534 1.00 0.00 O ATOM 0 H GLU A 91 -4.947 17.927 8.591 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.384 15.338 9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.513 17.305 10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.194 15.769 9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.834 14.608 11.629 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.198 16.159 12.143 1.00 0.00 H new ATOM 1303 N GLU A 92 -5.948 15.924 7.026 1.00 0.00 N ATOM 1304 CA GLU A 92 -6.264 15.291 5.732 1.00 0.00 C ATOM 1305 C GLU A 92 -5.021 14.737 5.025 1.00 0.00 C ATOM 1306 O GLU A 92 -5.014 13.584 4.597 1.00 0.00 O ATOM 1307 CB GLU A 92 -6.939 16.290 4.772 1.00 0.00 C ATOM 1308 CG GLU A 92 -8.442 16.463 5.001 1.00 0.00 C ATOM 1309 CD GLU A 92 -9.294 15.362 4.333 1.00 0.00 C ATOM 1310 OE1 GLU A 92 -8.894 14.175 4.336 1.00 0.00 O ATOM 1311 OE2 GLU A 92 -10.400 15.682 3.833 1.00 0.00 O ATOM 0 H GLU A 92 -6.101 16.933 7.032 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.938 14.468 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.453 17.260 4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.775 15.959 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.641 16.466 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.751 17.435 4.617 1.00 0.00 H new ATOM 1316 N ALA A 93 -3.950 15.526 4.923 1.00 0.00 N ATOM 1317 CA ALA A 93 -2.744 15.092 4.220 1.00 0.00 C ATOM 1318 C ALA A 93 -2.024 13.981 5.004 1.00 0.00 C ATOM 1319 O ALA A 93 -1.561 12.992 4.426 1.00 0.00 O ATOM 1320 CB ALA A 93 -1.837 16.299 3.910 1.00 0.00 C ATOM 0 H ALA A 93 -3.894 16.465 5.317 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.025 14.657 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.944 15.958 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.377 17.008 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.548 16.786 4.842 1.00 0.00 H new ATOM 1326 N GLN A 94 -2.023 14.079 6.329 1.00 0.00 N ATOM 1327 CA GLN A 94 -1.586 12.989 7.201 1.00 0.00 C ATOM 1328 C GLN A 94 -2.542 11.780 7.173 1.00 0.00 C ATOM 1329 O GLN A 94 -2.078 10.656 7.345 1.00 0.00 O ATOM 1330 CB GLN A 94 -1.352 13.511 8.631 1.00 0.00 C ATOM 1331 CG GLN A 94 -0.290 14.629 8.700 1.00 0.00 C ATOM 1332 CD GLN A 94 1.084 14.247 8.136 1.00 0.00 C ATOM 1333 OE1 GLN A 94 1.496 13.094 8.105 1.00 0.00 O ATOM 1334 NE2 GLN A 94 1.855 15.199 7.645 1.00 0.00 N ATOM 0 H GLN A 94 -2.324 14.914 6.831 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.637 12.618 6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -2.293 13.886 9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.041 12.683 9.268 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.661 15.498 8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.169 14.932 9.740 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.539 16.169 7.657 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.767 14.965 7.253 1.00 0.00 H new ATOM 1341 N THR A 95 -3.837 11.962 6.874 1.00 0.00 N ATOM 1342 CA THR A 95 -4.776 10.865 6.571 1.00 0.00 C ATOM 1343 C THR A 95 -4.367 10.119 5.303 1.00 0.00 C ATOM 1344 O THR A 95 -4.277 8.898 5.356 1.00 0.00 O ATOM 1345 CB THR A 95 -6.257 11.325 6.532 1.00 0.00 C ATOM 1346 OG1 THR A 95 -6.901 10.862 7.704 1.00 0.00 O ATOM 1347 CG2 THR A 95 -7.111 10.829 5.353 1.00 0.00 C ATOM 0 H THR A 95 -4.269 12.885 6.835 1.00 0.00 H new ATOM 0 HA THR A 95 -4.712 10.161 7.401 1.00 0.00 H new ATOM 0 HB THR A 95 -6.193 12.409 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.839 11.146 7.696 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.123 11.222 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.673 11.173 4.416 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.143 9.739 5.360 1.00 0.00 H new ATOM 1355 N LEU A 96 -4.034 10.793 4.191 1.00 0.00 N ATOM 1356 CA LEU A 96 -3.504 10.100 3.008 1.00 0.00 C ATOM 1357 C LEU A 96 -2.150 9.437 3.286 1.00 0.00 C ATOM 1358 O LEU A 96 -1.953 8.298 2.872 1.00 0.00 O ATOM 1359 CB LEU A 96 -3.373 11.025 1.781 1.00 0.00 C ATOM 1360 CG LEU A 96 -4.647 11.393 0.999 1.00 0.00 C ATOM 1361 CD1 LEU A 96 -5.674 10.266 0.895 1.00 0.00 C ATOM 1362 CD2 LEU A 96 -5.353 12.611 1.582 1.00 0.00 C ATOM 0 H LEU A 96 -4.121 11.804 4.087 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.238 9.328 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.909 11.953 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.680 10.554 1.083 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.273 11.609 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.538 10.613 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.226 9.412 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.991 9.969 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.245 12.830 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.638 12.407 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.681 13.469 1.554 1.00 0.00 H new ATOM 1373 N SER A 97 -1.256 10.097 4.029 1.00 0.00 N ATOM 1374 CA SER A 97 -0.007 9.494 4.527 1.00 0.00 C ATOM 1375 C SER A 97 -0.274 8.185 5.278 1.00 0.00 C ATOM 1376 O SER A 97 0.333 7.148 4.996 1.00 0.00 O ATOM 1377 CB SER A 97 0.762 10.500 5.391 1.00 0.00 C ATOM 1378 OG SER A 97 2.122 10.122 5.453 1.00 0.00 O ATOM 0 H SER A 97 -1.376 11.071 4.306 1.00 0.00 H new ATOM 0 HA SER A 97 0.616 9.241 3.669 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.670 11.502 4.971 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.337 10.535 6.394 1.00 0.00 H new ATOM 0 HG SER A 97 2.616 10.765 6.004 1.00 0.00 H new ATOM 1383 N LYS A 98 -1.289 8.192 6.150 1.00 0.00 N ATOM 1384 CA LYS A 98 -1.873 6.996 6.764 1.00 0.00 C ATOM 1385 C LYS A 98 -2.454 6.014 5.747 1.00 0.00 C ATOM 1386 O LYS A 98 -2.209 4.837 5.942 1.00 0.00 O ATOM 1387 CB LYS A 98 -2.899 7.396 7.835 1.00 0.00 C ATOM 1388 CG LYS A 98 -2.274 7.406 9.239 1.00 0.00 C ATOM 1389 CD LYS A 98 -3.111 8.259 10.203 1.00 0.00 C ATOM 1390 CE LYS A 98 -2.825 7.866 11.656 1.00 0.00 C ATOM 1391 NZ LYS A 98 -3.550 8.742 12.605 1.00 0.00 N ATOM 0 H LYS A 98 -1.739 9.055 6.456 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.061 6.454 7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.298 8.384 7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.738 6.700 7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.202 6.386 9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.259 7.799 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.884 9.315 10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.171 8.128 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.119 6.829 11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.754 7.928 11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.336 8.450 13.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.251 9.728 12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.573 8.664 12.437 1.00 0.00 H new ATOM 1401 N ILE A 99 -3.148 6.402 4.670 1.00 0.00 N ATOM 1402 CA ILE A 99 -3.666 5.441 3.670 1.00 0.00 C ATOM 1403 C ILE A 99 -2.544 4.565 3.092 1.00 0.00 C ATOM 1404 O ILE A 99 -2.661 3.347 3.204 1.00 0.00 O ATOM 1405 CB ILE A 99 -4.508 6.090 2.542 1.00 0.00 C ATOM 1406 CG1 ILE A 99 -5.759 6.856 3.027 1.00 0.00 C ATOM 1407 CG2 ILE A 99 -4.983 5.024 1.542 1.00 0.00 C ATOM 1408 CD1 ILE A 99 -6.846 6.032 3.736 1.00 0.00 C ATOM 0 H ILE A 99 -3.368 7.376 4.462 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.356 4.802 4.221 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.833 6.813 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -5.433 7.643 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.212 7.346 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.573 5.498 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.118 4.530 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -5.596 4.286 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.668 6.687 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.217 5.261 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.425 5.563 4.625 1.00 0.00 H new ATOM 1419 N LEU A 100 -1.441 5.121 2.556 1.00 0.00 N ATOM 1420 CA LEU A 100 -0.345 4.265 2.044 1.00 0.00 C ATOM 1421 C LEU A 100 0.240 3.395 3.148 1.00 0.00 C ATOM 1422 O LEU A 100 0.436 2.195 2.960 1.00 0.00 O ATOM 1423 CB LEU A 100 0.702 5.040 1.205 1.00 0.00 C ATOM 1424 CG LEU A 100 2.210 5.170 1.545 1.00 0.00 C ATOM 1425 CD1 LEU A 100 2.533 6.084 2.731 1.00 0.00 C ATOM 1426 CD2 LEU A 100 2.978 3.858 1.715 1.00 0.00 C ATOM 0 H LEU A 100 -1.283 6.125 2.466 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.782 3.575 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.659 4.609 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.326 6.060 1.129 1.00 0.00 H new ATOM 0 HG LEU A 100 2.566 5.644 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.611 6.109 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.174 7.092 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.044 5.703 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.020 4.074 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.535 3.280 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.927 3.284 0.790 1.00 0.00 H new ATOM 1437 N LEU A 101 0.449 3.976 4.328 1.00 0.00 N ATOM 1438 CA LEU A 101 0.991 3.251 5.467 1.00 0.00 C ATOM 1439 C LEU A 101 0.035 2.133 5.918 1.00 0.00 C ATOM 1440 O LEU A 101 0.509 1.086 6.348 1.00 0.00 O ATOM 1441 CB LEU A 101 1.290 4.258 6.581 1.00 0.00 C ATOM 1442 CG LEU A 101 2.207 3.678 7.684 1.00 0.00 C ATOM 1443 CD1 LEU A 101 3.555 4.400 7.693 1.00 0.00 C ATOM 1444 CD2 LEU A 101 1.551 3.808 9.049 1.00 0.00 C ATOM 0 H LEU A 101 0.247 4.958 4.517 1.00 0.00 H new ATOM 0 HA LEU A 101 1.920 2.752 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.762 5.141 6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.352 4.585 7.030 1.00 0.00 H new ATOM 0 HG LEU A 101 2.369 2.622 7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.188 3.980 8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.042 4.274 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.398 5.461 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.212 3.394 9.811 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.363 4.860 9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.607 3.263 9.052 1.00 0.00 H new ATOM 1455 N LYS A 102 -1.284 2.327 5.774 1.00 0.00 N ATOM 1456 CA LYS A 102 -2.348 1.339 6.006 1.00 0.00 C ATOM 1457 C LYS A 102 -2.387 0.275 4.918 1.00 0.00 C ATOM 1458 O LYS A 102 -2.555 -0.883 5.261 1.00 0.00 O ATOM 1459 CB LYS A 102 -3.741 1.972 6.227 1.00 0.00 C ATOM 1460 CG LYS A 102 -4.053 2.187 7.724 1.00 0.00 C ATOM 1461 CD LYS A 102 -3.282 3.346 8.371 1.00 0.00 C ATOM 1462 CE LYS A 102 -3.423 3.335 9.898 1.00 0.00 C ATOM 1463 NZ LYS A 102 -2.105 3.232 10.583 1.00 0.00 N ATOM 0 H LYS A 102 -1.658 3.228 5.476 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.087 0.848 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.790 2.928 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.504 1.330 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.122 2.369 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.827 1.269 8.266 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.228 3.278 8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.651 4.293 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.929 4.245 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.053 2.497 10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.248 3.228 11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.632 2.351 10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.512 4.045 10.319 1.00 0.00 H new ATOM 1473 N ASP A 103 -2.161 0.595 3.645 1.00 0.00 N ATOM 1474 CA ASP A 103 -2.049 -0.433 2.608 1.00 0.00 C ATOM 1475 C ASP A 103 -0.839 -1.339 2.863 1.00 0.00 C ATOM 1476 O ASP A 103 -0.963 -2.563 2.853 1.00 0.00 O ATOM 1477 CB ASP A 103 -1.909 0.176 1.205 1.00 0.00 C ATOM 1478 CG ASP A 103 -2.981 1.216 0.857 1.00 0.00 C ATOM 1479 OD1 ASP A 103 -4.183 0.974 1.132 1.00 0.00 O ATOM 1480 OD2 ASP A 103 -2.609 2.255 0.278 1.00 0.00 O ATOM 0 H ASP A 103 -2.052 1.551 3.307 1.00 0.00 H new ATOM 0 HA ASP A 103 -2.970 -1.014 2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.927 0.642 1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.946 -0.627 0.468 1.00 0.00 H new ATOM 1484 N LEU A 104 0.315 -0.728 3.153 1.00 0.00 N ATOM 1485 CA LEU A 104 1.553 -1.393 3.554 1.00 0.00 C ATOM 1486 C LEU A 104 1.339 -2.230 4.830 1.00 0.00 C ATOM 1487 O LEU A 104 1.480 -3.443 4.770 1.00 0.00 O ATOM 1488 CB LEU A 104 2.681 -0.340 3.685 1.00 0.00 C ATOM 1489 CG LEU A 104 3.490 -0.002 2.411 1.00 0.00 C ATOM 1490 CD1 LEU A 104 4.606 -1.017 2.168 1.00 0.00 C ATOM 1491 CD2 LEU A 104 2.676 0.092 1.120 1.00 0.00 C ATOM 0 H LEU A 104 0.413 0.286 3.112 1.00 0.00 H new ATOM 0 HA LEU A 104 1.862 -2.104 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.238 0.584 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.380 -0.688 4.446 1.00 0.00 H new ATOM 0 HG LEU A 104 3.883 0.991 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.153 -0.747 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.288 -1.018 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.174 -2.011 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.339 0.333 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.186 -0.863 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.922 0.873 1.221 1.00 0.00 H new ATOM 1502 N LYS A 105 0.916 -1.678 5.974 1.00 0.00 N ATOM 1503 CA LYS A 105 0.664 -2.496 7.185 1.00 0.00 C ATOM 1504 C LYS A 105 -0.560 -3.424 7.093 1.00 0.00 C ATOM 1505 O LYS A 105 -0.709 -4.283 7.953 1.00 0.00 O ATOM 1506 CB LYS A 105 0.638 -1.643 8.470 1.00 0.00 C ATOM 1507 CG LYS A 105 -0.620 -0.771 8.546 1.00 0.00 C ATOM 1508 CD LYS A 105 -1.835 -1.332 9.301 1.00 0.00 C ATOM 1509 CE LYS A 105 -1.789 -0.998 10.793 1.00 0.00 C ATOM 1510 NZ LYS A 105 -3.114 -1.226 11.436 1.00 0.00 N ATOM 0 H LYS A 105 0.740 -0.681 6.095 1.00 0.00 H new ATOM 0 HA LYS A 105 1.522 -3.166 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.681 -2.296 9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 105 1.523 -1.008 8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.344 0.175 9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -0.934 -0.546 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.749 -0.927 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.873 -2.414 9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.033 -1.612 11.283 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.491 0.042 10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.054 -0.992 12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.829 -0.622 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.385 -2.224 11.327 1.00 0.00 H new ATOM 1520 N GLU A 106 -1.432 -3.302 6.093 1.00 0.00 N ATOM 1521 CA GLU A 106 -2.351 -4.387 5.732 1.00 0.00 C ATOM 1522 C GLU A 106 -1.552 -5.486 5.026 1.00 0.00 C ATOM 1523 O GLU A 106 -1.324 -6.522 5.638 1.00 0.00 O ATOM 1524 CB GLU A 106 -3.525 -3.910 4.856 1.00 0.00 C ATOM 1525 CG GLU A 106 -4.590 -3.134 5.641 1.00 0.00 C ATOM 1526 CD GLU A 106 -5.631 -4.063 6.300 1.00 0.00 C ATOM 1527 OE1 GLU A 106 -5.335 -4.663 7.358 1.00 0.00 O ATOM 1528 OE2 GLU A 106 -6.761 -4.183 5.767 1.00 0.00 O ATOM 0 H GLU A 106 -1.523 -2.465 5.518 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.801 -4.774 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.139 -3.277 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.990 -4.774 4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.104 -2.534 6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.099 -2.441 4.970 1.00 0.00 H new ATOM 1533 N THR A 107 -1.065 -5.280 3.803 1.00 0.00 N ATOM 1534 CA THR A 107 -0.557 -6.387 2.970 1.00 0.00 C ATOM 1535 C THR A 107 0.926 -6.716 3.178 1.00 0.00 C ATOM 1536 O THR A 107 1.273 -7.891 3.150 1.00 0.00 O ATOM 1537 CB THR A 107 -0.882 -6.125 1.494 1.00 0.00 C ATOM 1538 OG1 THR A 107 -2.285 -6.117 1.348 1.00 0.00 O ATOM 1539 CG2 THR A 107 -0.336 -7.158 0.508 1.00 0.00 C ATOM 0 H THR A 107 -1.008 -4.362 3.361 1.00 0.00 H new ATOM 0 HA THR A 107 -1.079 -7.284 3.303 1.00 0.00 H new ATOM 0 HB THR A 107 -0.402 -5.177 1.253 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.517 -5.875 0.427 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.622 -6.879 -0.506 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.751 -7.193 0.582 1.00 0.00 H new ATOM 0 HG23 THR A 107 -0.747 -8.139 0.744 1.00 0.00 H new ATOM 1547 N GLU A 108 1.810 -5.754 3.462 1.00 0.00 N ATOM 1548 CA GLU A 108 3.179 -6.021 3.951 1.00 0.00 C ATOM 1549 C GLU A 108 3.168 -6.686 5.337 1.00 0.00 C ATOM 1550 O GLU A 108 3.891 -7.659 5.556 1.00 0.00 O ATOM 1551 CB GLU A 108 4.094 -4.763 3.908 1.00 0.00 C ATOM 1552 CG GLU A 108 4.587 -4.218 5.267 1.00 0.00 C ATOM 1553 CD GLU A 108 5.544 -3.017 5.154 1.00 0.00 C ATOM 1554 OE1 GLU A 108 6.623 -3.144 4.526 1.00 0.00 O ATOM 1555 OE2 GLU A 108 5.266 -1.964 5.775 1.00 0.00 O ATOM 0 H GLU A 108 1.601 -4.761 3.361 1.00 0.00 H new ATOM 0 HA GLU A 108 3.621 -6.734 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.967 -4.997 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.553 -3.966 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.723 -3.925 5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.090 -5.020 5.807 1.00 0.00 H new ATOM 1560 N GLN A 109 2.359 -6.213 6.304 1.00 0.00 N ATOM 1561 CA GLN A 109 2.367 -6.834 7.633 1.00 0.00 C ATOM 1562 C GLN A 109 1.626 -8.173 7.628 1.00 0.00 C ATOM 1563 O GLN A 109 2.126 -9.128 8.214 1.00 0.00 O ATOM 1564 CB GLN A 109 1.809 -5.929 8.738 1.00 0.00 C ATOM 1565 CG GLN A 109 2.311 -6.367 10.130 1.00 0.00 C ATOM 1566 CD GLN A 109 1.378 -5.977 11.284 1.00 0.00 C ATOM 1567 OE1 GLN A 109 0.159 -6.064 11.212 1.00 0.00 O ATOM 1568 NE2 GLN A 109 1.908 -5.573 12.415 1.00 0.00 N ATOM 0 H GLN A 109 1.714 -5.430 6.193 1.00 0.00 H new ATOM 0 HA GLN A 109 3.418 -7.005 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 109 2.106 -4.897 8.550 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.720 -5.956 8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 109 2.442 -7.449 10.133 1.00 0.00 H new ATOM 0 HG3 GLN A 109 3.292 -5.926 10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.921 -5.491 12.503 1.00 0.00 H new ATOM 0 HE22 GLN A 109 1.307 -5.341 13.206 1.00 0.00 H new ATOM 1575 N LYS A 110 0.505 -8.299 6.890 1.00 0.00 N ATOM 1576 CA LYS A 110 -0.079 -9.616 6.595 1.00 0.00 C ATOM 1577 C LYS A 110 0.940 -10.511 5.904 1.00 0.00 C ATOM 1578 O LYS A 110 1.014 -11.668 6.277 1.00 0.00 O ATOM 1579 CB LYS A 110 -1.381 -9.557 5.788 1.00 0.00 C ATOM 1580 CG LYS A 110 -2.640 -9.225 6.610 1.00 0.00 C ATOM 1581 CD LYS A 110 -3.257 -10.481 7.249 1.00 0.00 C ATOM 1582 CE LYS A 110 -4.581 -10.141 7.951 1.00 0.00 C ATOM 1583 NZ LYS A 110 -5.254 -11.358 8.479 1.00 0.00 N ATOM 0 H LYS A 110 -0.007 -7.512 6.492 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.348 -10.044 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.271 -8.810 5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.530 -10.518 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.385 -8.509 7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.378 -8.746 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.430 -11.237 6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.559 -10.910 7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.391 -9.447 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.244 -9.634 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.143 -11.088 8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.458 -12.010 7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.631 -11.828 9.167 1.00 0.00 H new ATOM 1593 N VAL A 111 1.801 -10.004 5.012 1.00 0.00 N ATOM 1594 CA VAL A 111 2.934 -10.773 4.468 1.00 0.00 C ATOM 1595 C VAL A 111 3.772 -11.436 5.567 1.00 0.00 C ATOM 1596 O VAL A 111 3.958 -12.649 5.526 1.00 0.00 O ATOM 1597 CB VAL A 111 3.761 -9.976 3.417 1.00 0.00 C ATOM 1598 CG1 VAL A 111 5.286 -10.070 3.541 1.00 0.00 C ATOM 1599 CG2 VAL A 111 3.346 -10.391 2.005 1.00 0.00 C ATOM 0 H VAL A 111 1.735 -9.054 4.647 1.00 0.00 H new ATOM 0 HA VAL A 111 2.508 -11.601 3.902 1.00 0.00 H new ATOM 0 HB VAL A 111 3.524 -8.932 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.752 -9.475 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.596 -9.692 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.596 -11.110 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.929 -9.829 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.527 -11.457 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.286 -10.182 1.861 1.00 0.00 H new ATOM 1609 N LYS A 112 4.193 -10.709 6.606 1.00 0.00 N ATOM 1610 CA LYS A 112 4.931 -11.307 7.742 1.00 0.00 C ATOM 1611 C LYS A 112 4.046 -12.043 8.776 1.00 0.00 C ATOM 1612 O LYS A 112 4.576 -12.769 9.615 1.00 0.00 O ATOM 1613 CB LYS A 112 5.851 -10.255 8.388 1.00 0.00 C ATOM 1614 CG LYS A 112 7.009 -9.855 7.444 1.00 0.00 C ATOM 1615 CD LYS A 112 7.001 -8.375 7.039 1.00 0.00 C ATOM 1616 CE LYS A 112 7.353 -7.453 8.216 1.00 0.00 C ATOM 1617 NZ LYS A 112 7.195 -6.021 7.843 1.00 0.00 N ATOM 0 H LYS A 112 4.039 -9.704 6.692 1.00 0.00 H new ATOM 0 HA LYS A 112 5.547 -12.103 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.269 -9.370 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.259 -10.650 9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.957 -10.083 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.959 -10.468 6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.714 -8.217 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.017 -8.110 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.711 -7.683 9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.380 -7.638 8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.439 -5.421 8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.826 -5.798 7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.209 -5.842 7.564 1.00 0.00 H new ATOM 1627 N ASP A 113 2.719 -11.918 8.696 1.00 0.00 N ATOM 1628 CA ASP A 113 1.728 -12.623 9.531 1.00 0.00 C ATOM 1629 C ASP A 113 1.154 -13.902 8.879 1.00 0.00 C ATOM 1630 O ASP A 113 0.514 -14.706 9.557 1.00 0.00 O ATOM 1631 CB ASP A 113 0.577 -11.659 9.872 1.00 0.00 C ATOM 1632 CG ASP A 113 -0.338 -12.172 10.996 1.00 0.00 C ATOM 1633 OD1 ASP A 113 0.155 -12.401 12.122 1.00 0.00 O ATOM 1634 OD2 ASP A 113 -1.566 -12.297 10.763 1.00 0.00 O ATOM 0 H ASP A 113 2.280 -11.295 8.018 1.00 0.00 H new ATOM 0 HA ASP A 113 2.252 -12.948 10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.995 -10.696 10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.021 -11.488 8.977 1.00 0.00 H new ATOM 1638 N ILE A 114 1.371 -14.109 7.571 1.00 0.00 N ATOM 1639 CA ILE A 114 0.875 -15.260 6.799 1.00 0.00 C ATOM 1640 C ILE A 114 1.282 -16.591 7.454 1.00 0.00 C ATOM 1641 O ILE A 114 2.428 -16.781 7.875 1.00 0.00 O ATOM 1642 CB ILE A 114 1.332 -15.157 5.320 1.00 0.00 C ATOM 1643 CG1 ILE A 114 0.343 -14.303 4.495 1.00 0.00 C ATOM 1644 CG2 ILE A 114 1.451 -16.534 4.652 1.00 0.00 C ATOM 1645 CD1 ILE A 114 0.880 -13.828 3.137 1.00 0.00 C ATOM 0 H ILE A 114 1.914 -13.459 7.003 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.215 -15.239 6.803 1.00 0.00 H new ATOM 0 HB ILE A 114 2.315 -14.686 5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.565 -14.883 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.060 -13.430 5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.774 -16.410 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.182 -17.138 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.482 -17.033 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.117 -13.237 2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.770 -13.217 3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 114 1.135 -14.692 2.524 1.00 0.00 H new ATOM 1656 N GLN A 115 0.334 -17.531 7.496 1.00 0.00 N ATOM 1657 CA GLN A 115 0.517 -18.878 8.035 1.00 0.00 C ATOM 1658 C GLN A 115 0.970 -19.900 6.976 1.00 0.00 C ATOM 1659 O GLN A 115 0.672 -19.787 5.777 1.00 0.00 O ATOM 1660 CB GLN A 115 -0.773 -19.337 8.748 1.00 0.00 C ATOM 1661 CG GLN A 115 -2.058 -19.252 7.898 1.00 0.00 C ATOM 1662 CD GLN A 115 -3.243 -19.937 8.583 1.00 0.00 C ATOM 1663 OE1 GLN A 115 -3.208 -21.110 8.936 1.00 0.00 O ATOM 1664 NE2 GLN A 115 -4.345 -19.249 8.808 1.00 0.00 N ATOM 0 H GLN A 115 -0.610 -17.369 7.145 1.00 0.00 H new ATOM 0 HA GLN A 115 1.330 -18.829 8.760 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.641 -20.368 9.076 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.909 -18.732 9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.302 -18.206 7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.882 -19.716 6.927 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.402 -18.271 8.525 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -5.140 -19.695 9.265 1.00 0.00 H new ATOM 1671 N THR A 116 1.672 -20.936 7.429 1.00 0.00 N ATOM 1672 CA THR A 116 1.953 -22.179 6.696 1.00 0.00 C ATOM 1673 C THR A 116 0.837 -23.215 6.919 1.00 0.00 C ATOM 1674 O THR A 116 0.112 -23.155 7.920 1.00 0.00 O ATOM 1675 CB THR A 116 3.318 -22.760 7.108 1.00 0.00 C ATOM 1676 OG1 THR A 116 3.454 -22.812 8.510 1.00 0.00 O ATOM 1677 CG2 THR A 116 4.463 -21.907 6.557 1.00 0.00 C ATOM 0 H THR A 116 2.083 -20.937 8.363 1.00 0.00 H new ATOM 0 HA THR A 116 1.988 -21.940 5.633 1.00 0.00 H new ATOM 0 HB THR A 116 3.365 -23.768 6.696 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.330 -23.187 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 116 5.417 -22.338 6.862 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.407 -21.882 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 116 4.382 -20.893 6.948 1.00 0.00 H new ATOM 1685 N GLN A 117 0.668 -24.156 5.978 1.00 0.00 N ATOM 1686 CA GLN A 117 -0.424 -25.150 5.963 1.00 0.00 C ATOM 1687 C GLN A 117 -0.011 -26.454 5.253 1.00 0.00 C ATOM 1688 O GLN A 117 -0.495 -27.533 5.657 1.00 0.00 O ATOM 1689 CB GLN A 117 -1.675 -24.503 5.326 1.00 0.00 C ATOM 1690 CG GLN A 117 -2.933 -25.368 5.516 1.00 0.00 C ATOM 1691 CD GLN A 117 -4.229 -24.583 5.282 1.00 0.00 C ATOM 1692 OE1 GLN A 117 -4.698 -23.828 6.126 1.00 0.00 O ATOM 1693 NE2 GLN A 117 -4.874 -24.725 4.141 1.00 0.00 N ATOM 0 H GLN A 117 1.302 -24.252 5.184 1.00 0.00 H new ATOM 0 HA GLN A 117 -0.659 -25.441 6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.840 -23.521 5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.500 -24.347 4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -2.895 -26.213 4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -2.938 -25.778 6.526 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -4.506 -25.347 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -5.741 -24.213 3.978 1.00 0.00 H new TER 1700 GLN A 117