USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 721 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 24 ASN : amide:sc= 1.19 X(o=1.1,f=1.2) USER MOD Set 1.2: A 32 TYR OH : rot 130:sc= -0.128 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0101 (180deg=-0.131) USER MOD Single : A 3 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.37) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 8 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.0099) USER MOD Single : A 11 MET CE :methyl -121:sc= -0.247 (180deg=-2.43!) USER MOD Single : A 13 THR OG1 : rot -129:sc= -2.11! USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0.0683 (180deg=0.0473) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.202 K(o=-0.2,f=-3.4!) USER MOD Single : A 21 MET CE :methyl 169:sc= -1.63 (180deg=-1.79!) USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0.64 (180deg=0.57) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0464 X(o=-0.046,f=-0.35) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0345) USER MOD Single : A 48 MET CE :methyl -163:sc= -0.315 (180deg=-0.713) USER MOD Single : A 55 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.012) USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= 1.35 (180deg=1.17) USER MOD Single : A 58 GLN : amide:sc= 0.664 K(o=0.66,f=-0.71) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.591 K(o=-0.59,f=-7.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= -0.017 (180deg=-0.211) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 70:sc= 1.44 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0524) USER MOD Single : A 83 THR OG1 : rot 33:sc= 0.623 USER MOD Single : A 90 ASN : amide:sc= -0.713 K(o=-0.71,f=-5!) USER MOD Single : A 91 LYS NZ :NH3+ 150:sc= -1.25! (180deg=-4.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.645 23.290 4.288 1.00 23.14 N ATOM 2 CA MET A 1 -4.312 22.695 4.587 1.00 11.00 C ATOM 3 C MET A 1 -4.022 22.699 6.098 1.00 45.10 C ATOM 4 O MET A 1 -3.838 23.757 6.698 1.00 10.14 O ATOM 5 CB MET A 1 -3.205 23.473 3.859 1.00 60.05 C ATOM 6 CG MET A 1 -3.354 23.507 2.342 1.00 11.05 C ATOM 7 SD MET A 1 -2.004 24.396 1.541 1.00 32.52 S ATOM 8 CE MET A 1 -2.481 24.269 -0.182 1.00 10.51 C ATOM 0 H1 MET A 1 -5.877 23.136 3.286 1.00 23.14 H new ATOM 0 H2 MET A 1 -6.368 22.839 4.884 1.00 23.14 H new ATOM 0 H3 MET A 1 -5.622 24.311 4.485 1.00 23.14 H new ATOM 0 HA MET A 1 -4.328 21.663 4.237 1.00 11.00 H new ATOM 0 HB2 MET A 1 -3.190 24.496 4.234 1.00 60.05 H new ATOM 0 HB3 MET A 1 -2.241 23.028 4.108 1.00 60.05 H new ATOM 0 HG2 MET A 1 -3.391 22.487 1.960 1.00 11.05 H new ATOM 0 HG3 MET A 1 -4.301 23.979 2.083 1.00 11.05 H new ATOM 0 HE1 MET A 1 -1.741 24.774 -0.803 1.00 10.51 H new ATOM 0 HE2 MET A 1 -2.538 23.219 -0.467 1.00 10.51 H new ATOM 0 HE3 MET A 1 -3.455 24.738 -0.325 1.00 10.51 H new ATOM 20 N GLY A 2 -4.006 21.515 6.711 1.00 31.32 N ATOM 21 CA GLY A 2 -3.647 21.397 8.123 1.00 70.13 C ATOM 22 C GLY A 2 -4.750 21.847 9.080 1.00 22.34 C ATOM 23 O GLY A 2 -5.327 21.027 9.800 1.00 5.43 O ATOM 0 H GLY A 2 -4.235 20.631 6.256 1.00 31.32 H new ATOM 0 HA2 GLY A 2 -3.393 20.359 8.338 1.00 70.13 H new ATOM 0 HA3 GLY A 2 -2.752 21.989 8.311 1.00 70.13 H new ATOM 27 N HIS A 3 -5.021 23.156 9.112 1.00 61.14 N ATOM 28 CA HIS A 3 -6.062 23.724 9.983 1.00 32.14 C ATOM 29 C HIS A 3 -5.790 23.386 11.469 1.00 72.04 C ATOM 30 O HIS A 3 -6.714 23.309 12.278 1.00 42.33 O ATOM 31 CB HIS A 3 -7.450 23.209 9.540 1.00 15.41 C ATOM 32 CG HIS A 3 -8.612 23.892 10.204 1.00 31.12 C ATOM 33 ND1 HIS A 3 -9.827 23.275 10.417 1.00 63.12 N ATOM 34 CD2 HIS A 3 -8.748 25.152 10.687 1.00 31.10 C ATOM 35 CE1 HIS A 3 -10.652 24.120 10.999 1.00 55.44 C ATOM 36 NE2 HIS A 3 -10.025 25.262 11.175 1.00 20.35 N ATOM 0 H HIS A 3 -4.533 23.847 8.543 1.00 61.14 H new ATOM 0 HA HIS A 3 -6.045 24.810 9.889 1.00 32.14 H new ATOM 0 HB2 HIS A 3 -7.541 23.332 8.461 1.00 15.41 H new ATOM 0 HB3 HIS A 3 -7.509 22.140 9.745 1.00 15.41 H new ATOM 0 HD2 HIS A 3 -7.993 25.924 10.687 1.00 31.10 H new ATOM 0 HE1 HIS A 3 -11.672 23.910 11.284 1.00 55.44 H new ATOM 0 HE2 HIS A 3 -10.424 26.096 11.605 1.00 20.35 H new ATOM 45 N HIS A 4 -4.508 23.200 11.809 1.00 22.31 N ATOM 46 CA HIS A 4 -4.080 22.863 13.180 1.00 53.30 C ATOM 47 C HIS A 4 -4.550 21.460 13.615 1.00 52.31 C ATOM 48 O HIS A 4 -4.710 21.190 14.806 1.00 20.13 O ATOM 49 CB HIS A 4 -4.566 23.929 14.181 1.00 34.15 C ATOM 50 CG HIS A 4 -3.903 25.262 14.004 1.00 3.20 C ATOM 51 ND1 HIS A 4 -4.451 26.290 13.266 1.00 72.23 N ATOM 52 CD2 HIS A 4 -2.726 25.736 14.479 1.00 60.20 C ATOM 53 CE1 HIS A 4 -3.645 27.330 13.293 1.00 32.04 C ATOM 54 NE2 HIS A 4 -2.591 27.024 14.024 1.00 22.31 N ATOM 0 H HIS A 4 -3.737 23.278 11.146 1.00 22.31 H new ATOM 0 HA HIS A 4 -2.990 22.850 13.177 1.00 53.30 H new ATOM 0 HB2 HIS A 4 -5.644 24.051 14.075 1.00 34.15 H new ATOM 0 HB3 HIS A 4 -4.384 23.573 15.195 1.00 34.15 H new ATOM 0 HD2 HIS A 4 -2.024 25.200 15.100 1.00 60.20 H new ATOM 0 HE1 HIS A 4 -3.818 28.275 12.800 1.00 32.04 H new ATOM 0 HE2 HIS A 4 -1.804 27.643 14.219 1.00 22.31 H new ATOM 63 N HIS A 5 -4.737 20.554 12.652 1.00 73.34 N ATOM 64 CA HIS A 5 -5.211 19.193 12.952 1.00 0.11 C ATOM 65 C HIS A 5 -4.112 18.121 12.798 1.00 40.44 C ATOM 66 O HIS A 5 -4.410 16.926 12.726 1.00 54.13 O ATOM 67 CB HIS A 5 -6.413 18.851 12.064 1.00 31.20 C ATOM 68 CG HIS A 5 -7.666 19.593 12.433 1.00 24.11 C ATOM 69 ND1 HIS A 5 -8.911 19.245 11.961 1.00 65.51 N ATOM 70 CD2 HIS A 5 -7.865 20.665 13.241 1.00 54.45 C ATOM 71 CE1 HIS A 5 -9.817 20.064 12.457 1.00 42.21 C ATOM 72 NE2 HIS A 5 -9.211 20.933 13.237 1.00 13.05 N ATOM 0 H HIS A 5 -4.570 20.733 11.662 1.00 73.34 H new ATOM 0 HA HIS A 5 -5.508 19.185 14.001 1.00 0.11 H new ATOM 0 HB2 HIS A 5 -6.162 19.073 11.027 1.00 31.20 H new ATOM 0 HB3 HIS A 5 -6.605 17.780 12.124 1.00 31.20 H new ATOM 0 HD2 HIS A 5 -7.106 21.206 13.786 1.00 54.45 H new ATOM 0 HE1 HIS A 5 -10.878 20.028 12.257 1.00 42.21 H new ATOM 0 HE2 HIS A 5 -9.667 21.684 13.755 1.00 13.05 H new ATOM 81 N HIS A 6 -2.846 18.530 12.762 1.00 64.20 N ATOM 82 CA HIS A 6 -1.738 17.563 12.772 1.00 65.42 C ATOM 83 C HIS A 6 -1.418 17.125 14.216 1.00 14.23 C ATOM 84 O HIS A 6 -0.361 17.452 14.760 1.00 53.55 O ATOM 85 CB HIS A 6 -0.480 18.146 12.105 1.00 0.35 C ATOM 86 CG HIS A 6 -0.602 18.347 10.622 1.00 41.41 C ATOM 87 ND1 HIS A 6 -0.098 17.458 9.699 1.00 61.20 N ATOM 88 CD2 HIS A 6 -1.148 19.354 9.902 1.00 74.11 C ATOM 89 CE1 HIS A 6 -0.325 17.908 8.483 1.00 34.12 C ATOM 90 NE2 HIS A 6 -0.961 19.058 8.573 1.00 41.44 N ATOM 0 H HIS A 6 -2.559 19.508 12.726 1.00 64.20 H new ATOM 0 HA HIS A 6 -2.053 16.692 12.198 1.00 65.42 H new ATOM 0 HB2 HIS A 6 -0.247 19.103 12.571 1.00 0.35 H new ATOM 0 HB3 HIS A 6 0.362 17.482 12.302 1.00 0.35 H new ATOM 0 HD2 HIS A 6 -1.640 20.230 10.299 1.00 74.11 H new ATOM 0 HE1 HIS A 6 -0.038 17.417 7.565 1.00 34.12 H new ATOM 0 HE2 HIS A 6 -1.264 19.633 7.787 1.00 41.44 H new ATOM 99 N HIS A 7 -2.347 16.396 14.839 1.00 43.14 N ATOM 100 CA HIS A 7 -2.186 15.958 16.234 1.00 72.51 C ATOM 101 C HIS A 7 -1.311 14.697 16.336 1.00 13.24 C ATOM 102 O HIS A 7 -0.422 14.622 17.184 1.00 43.34 O ATOM 103 CB HIS A 7 -3.559 15.706 16.875 1.00 62.02 C ATOM 104 CG HIS A 7 -3.512 15.545 18.367 1.00 62.12 C ATOM 105 ND1 HIS A 7 -3.723 14.343 19.009 1.00 42.22 N ATOM 106 CD2 HIS A 7 -3.287 16.453 19.349 1.00 72.30 C ATOM 107 CE1 HIS A 7 -3.631 14.515 20.312 1.00 4.13 C ATOM 108 NE2 HIS A 7 -3.366 15.782 20.543 1.00 2.44 N ATOM 0 H HIS A 7 -3.219 16.095 14.403 1.00 43.14 H new ATOM 0 HA HIS A 7 -1.680 16.757 16.775 1.00 72.51 H new ATOM 0 HB2 HIS A 7 -4.222 16.536 16.629 1.00 62.02 H new ATOM 0 HB3 HIS A 7 -3.995 14.809 16.436 1.00 62.02 H new ATOM 0 HD2 HIS A 7 -3.084 17.505 19.216 1.00 72.30 H new ATOM 0 HE1 HIS A 7 -3.752 13.747 21.062 1.00 4.13 H new ATOM 0 HE2 HIS A 7 -3.239 16.200 21.465 1.00 2.44 H new ATOM 117 N HIS A 8 -1.564 13.701 15.478 1.00 24.22 N ATOM 118 CA HIS A 8 -0.754 12.471 15.478 1.00 64.23 C ATOM 119 C HIS A 8 -0.727 11.771 14.106 1.00 10.25 C ATOM 120 O HIS A 8 -1.652 11.038 13.758 1.00 11.43 O ATOM 121 CB HIS A 8 -1.257 11.484 16.548 1.00 74.05 C ATOM 122 CG HIS A 8 -0.441 10.224 16.630 1.00 22.12 C ATOM 123 ND1 HIS A 8 0.669 10.099 17.434 1.00 33.03 N ATOM 124 CD2 HIS A 8 -0.563 9.038 15.982 1.00 11.34 C ATOM 125 CE1 HIS A 8 1.196 8.902 17.277 1.00 24.13 C ATOM 126 NE2 HIS A 8 0.468 8.239 16.404 1.00 3.42 N ATOM 0 H HIS A 8 -2.311 13.718 14.784 1.00 24.22 H new ATOM 0 HA HIS A 8 0.265 12.780 15.710 1.00 64.23 H new ATOM 0 HB2 HIS A 8 -1.248 11.978 17.520 1.00 74.05 H new ATOM 0 HB3 HIS A 8 -2.293 11.223 16.333 1.00 74.05 H new ATOM 0 HD2 HIS A 8 -1.329 8.773 15.268 1.00 11.34 H new ATOM 0 HE1 HIS A 8 2.076 8.528 17.779 1.00 24.13 H new ATOM 0 HE2 HIS A 8 0.643 7.284 16.091 1.00 3.42 H new ATOM 135 N SER A 9 0.332 12.028 13.331 1.00 62.43 N ATOM 136 CA SER A 9 0.653 11.260 12.104 1.00 61.53 C ATOM 137 C SER A 9 -0.506 11.132 11.093 1.00 35.21 C ATOM 138 O SER A 9 -0.414 10.349 10.149 1.00 23.44 O ATOM 139 CB SER A 9 1.145 9.850 12.480 1.00 1.13 C ATOM 140 OG SER A 9 2.311 9.906 13.289 1.00 51.31 O ATOM 0 H SER A 9 0.998 12.775 13.530 1.00 62.43 H new ATOM 0 HA SER A 9 1.431 11.837 11.604 1.00 61.53 H new ATOM 0 HB2 SER A 9 0.356 9.318 13.012 1.00 1.13 H new ATOM 0 HB3 SER A 9 1.356 9.283 11.573 1.00 1.13 H new ATOM 0 HG SER A 9 2.598 8.996 13.513 1.00 51.31 H new ATOM 146 N HIS A 10 -1.584 11.891 11.264 1.00 20.32 N ATOM 147 CA HIS A 10 -2.720 11.796 10.341 1.00 62.23 C ATOM 148 C HIS A 10 -2.403 12.447 8.990 1.00 33.01 C ATOM 149 O HIS A 10 -2.632 13.639 8.780 1.00 40.34 O ATOM 150 CB HIS A 10 -3.989 12.391 10.964 1.00 62.13 C ATOM 151 CG HIS A 10 -4.632 11.476 11.963 1.00 33.23 C ATOM 152 ND1 HIS A 10 -5.732 11.825 12.716 1.00 13.21 N ATOM 153 CD2 HIS A 10 -4.336 10.202 12.311 1.00 62.51 C ATOM 154 CE1 HIS A 10 -6.082 10.809 13.477 1.00 11.24 C ATOM 155 NE2 HIS A 10 -5.253 9.811 13.251 1.00 34.23 N ATOM 0 H HIS A 10 -1.699 12.569 12.018 1.00 20.32 H new ATOM 0 HA HIS A 10 -2.906 10.738 10.155 1.00 62.23 H new ATOM 0 HB2 HIS A 10 -3.741 13.335 11.450 1.00 62.13 H new ATOM 0 HB3 HIS A 10 -4.704 12.618 10.173 1.00 62.13 H new ATOM 0 HD2 HIS A 10 -3.526 9.604 11.920 1.00 62.51 H new ATOM 0 HE1 HIS A 10 -6.910 10.796 14.170 1.00 11.24 H new ATOM 0 HE2 HIS A 10 -5.288 8.897 13.702 1.00 34.23 H new ATOM 164 N MET A 11 -1.840 11.642 8.093 1.00 45.12 N ATOM 165 CA MET A 11 -1.488 12.076 6.739 1.00 73.13 C ATOM 166 C MET A 11 -2.355 11.368 5.686 1.00 53.51 C ATOM 167 O MET A 11 -2.345 10.141 5.573 1.00 4.03 O ATOM 168 CB MET A 11 -0.003 11.797 6.474 1.00 52.44 C ATOM 169 CG MET A 11 0.454 10.413 6.925 1.00 22.03 C ATOM 170 SD MET A 11 2.098 9.995 6.316 1.00 40.31 S ATOM 171 CE MET A 11 1.747 9.809 4.573 1.00 31.45 C ATOM 0 H MET A 11 -1.613 10.666 8.283 1.00 45.12 H new ATOM 0 HA MET A 11 -1.675 13.147 6.663 1.00 73.13 H new ATOM 0 HB2 MET A 11 0.192 11.904 5.407 1.00 52.44 H new ATOM 0 HB3 MET A 11 0.596 12.551 6.985 1.00 52.44 H new ATOM 0 HG2 MET A 11 0.452 10.371 8.014 1.00 22.03 H new ATOM 0 HG3 MET A 11 -0.260 9.667 6.576 1.00 22.03 H new ATOM 0 HE1 MET A 11 2.013 8.801 4.254 1.00 31.45 H new ATOM 0 HE2 MET A 11 0.685 9.977 4.396 1.00 31.45 H new ATOM 0 HE3 MET A 11 2.329 10.535 4.005 1.00 31.45 H new ATOM 181 N LEU A 12 -3.113 12.149 4.924 1.00 13.43 N ATOM 182 CA LEU A 12 -3.992 11.606 3.885 1.00 22.11 C ATOM 183 C LEU A 12 -3.535 12.054 2.485 1.00 60.24 C ATOM 184 O LEU A 12 -2.596 12.837 2.349 1.00 42.03 O ATOM 185 CB LEU A 12 -5.452 12.041 4.128 1.00 55.43 C ATOM 186 CG LEU A 12 -6.100 11.555 5.444 1.00 64.11 C ATOM 187 CD1 LEU A 12 -5.556 12.318 6.649 1.00 1.14 C ATOM 188 CD2 LEU A 12 -7.619 11.682 5.378 1.00 11.01 C ATOM 0 H LEU A 12 -3.139 13.166 5.004 1.00 13.43 H new ATOM 0 HA LEU A 12 -3.935 10.519 3.934 1.00 22.11 H new ATOM 0 HB2 LEU A 12 -5.493 13.130 4.108 1.00 55.43 H new ATOM 0 HB3 LEU A 12 -6.059 11.684 3.296 1.00 55.43 H new ATOM 0 HG LEU A 12 -5.842 10.503 5.568 1.00 64.11 H new ATOM 0 HD11 LEU A 12 -6.033 11.951 7.558 1.00 1.14 H new ATOM 0 HD12 LEU A 12 -4.479 12.168 6.719 1.00 1.14 H new ATOM 0 HD13 LEU A 12 -5.767 13.381 6.532 1.00 1.14 H new ATOM 0 HD21 LEU A 12 -8.054 11.334 6.315 1.00 11.01 H new ATOM 0 HD22 LEU A 12 -7.890 12.725 5.217 1.00 11.01 H new ATOM 0 HD23 LEU A 12 -7.999 11.077 4.555 1.00 11.01 H new ATOM 200 N THR A 13 -4.201 11.551 1.446 1.00 2.21 N ATOM 201 CA THR A 13 -3.895 11.948 0.063 1.00 4.25 C ATOM 202 C THR A 13 -4.352 13.381 -0.235 1.00 51.44 C ATOM 203 O THR A 13 -4.792 14.108 0.659 1.00 31.24 O ATOM 204 CB THR A 13 -4.562 11.001 -0.963 1.00 23.14 C ATOM 205 OG1 THR A 13 -5.962 10.880 -0.683 1.00 12.22 O ATOM 206 CG2 THR A 13 -3.916 9.626 -0.949 1.00 75.21 C ATOM 0 H THR A 13 -4.955 10.869 1.530 1.00 2.21 H new ATOM 0 HA THR A 13 -2.811 11.887 -0.033 1.00 4.25 H new ATOM 0 HB THR A 13 -4.424 11.432 -1.954 1.00 23.14 H new ATOM 0 HG1 THR A 13 -6.207 9.932 -0.643 1.00 12.22 H new ATOM 0 HG21 THR A 13 -4.408 8.985 -1.681 1.00 75.21 H new ATOM 0 HG22 THR A 13 -2.859 9.718 -1.199 1.00 75.21 H new ATOM 0 HG23 THR A 13 -4.017 9.187 0.043 1.00 75.21 H new ATOM 214 N LYS A 14 -4.245 13.773 -1.500 1.00 45.31 N ATOM 215 CA LYS A 14 -4.640 15.110 -1.947 1.00 42.52 C ATOM 216 C LYS A 14 -6.101 15.425 -1.562 1.00 63.35 C ATOM 217 O LYS A 14 -7.012 14.650 -1.865 1.00 13.41 O ATOM 218 CB LYS A 14 -4.427 15.217 -3.452 1.00 54.51 C ATOM 219 CG LYS A 14 -2.977 14.953 -3.850 1.00 72.32 C ATOM 220 CD LYS A 14 -2.808 14.968 -5.353 1.00 22.20 C ATOM 221 CE LYS A 14 -1.387 14.603 -5.793 1.00 73.15 C ATOM 222 NZ LYS A 14 -1.001 13.223 -5.385 1.00 22.22 N ATOM 0 H LYS A 14 -3.883 13.177 -2.245 1.00 45.31 H new ATOM 0 HA LYS A 14 -4.017 15.851 -1.445 1.00 42.52 H new ATOM 0 HB2 LYS A 14 -5.077 14.505 -3.961 1.00 54.51 H new ATOM 0 HB3 LYS A 14 -4.719 16.212 -3.789 1.00 54.51 H new ATOM 0 HG2 LYS A 14 -2.331 15.708 -3.402 1.00 72.32 H new ATOM 0 HG3 LYS A 14 -2.659 13.988 -3.456 1.00 72.32 H new ATOM 0 HD2 LYS A 14 -3.513 14.268 -5.801 1.00 22.20 H new ATOM 0 HD3 LYS A 14 -3.058 15.959 -5.733 1.00 22.20 H new ATOM 0 HE2 LYS A 14 -1.311 14.693 -6.877 1.00 73.15 H new ATOM 0 HE3 LYS A 14 -0.683 15.316 -5.364 1.00 73.15 H new ATOM 0 HZ1 LYS A 14 -0.045 13.012 -5.735 1.00 22.22 H new ATOM 0 HZ2 LYS A 14 -1.014 13.151 -4.348 1.00 22.22 H new ATOM 0 HZ3 LYS A 14 -1.675 12.541 -5.787 1.00 22.22 H new ATOM 236 N HIS A 15 -6.302 16.555 -0.872 1.00 21.41 N ATOM 237 CA HIS A 15 -7.629 16.972 -0.374 1.00 74.21 C ATOM 238 C HIS A 15 -8.192 16.020 0.707 1.00 52.35 C ATOM 239 O HIS A 15 -9.377 16.085 1.048 1.00 43.53 O ATOM 240 CB HIS A 15 -8.626 17.108 -1.529 1.00 33.50 C ATOM 241 CG HIS A 15 -8.238 18.150 -2.536 1.00 43.24 C ATOM 242 ND1 HIS A 15 -8.531 19.488 -2.388 1.00 2.20 N ATOM 243 CD2 HIS A 15 -7.575 18.047 -3.713 1.00 53.33 C ATOM 244 CE1 HIS A 15 -8.067 20.156 -3.423 1.00 11.21 C ATOM 245 NE2 HIS A 15 -7.483 19.308 -4.242 1.00 55.14 N ATOM 0 H HIS A 15 -5.554 17.208 -0.641 1.00 21.41 H new ATOM 0 HA HIS A 15 -7.489 17.945 0.097 1.00 74.21 H new ATOM 0 HB2 HIS A 15 -8.720 16.146 -2.032 1.00 33.50 H new ATOM 0 HB3 HIS A 15 -9.608 17.354 -1.124 1.00 33.50 H new ATOM 0 HD2 HIS A 15 -7.190 17.139 -4.153 1.00 53.33 H new ATOM 0 HE1 HIS A 15 -8.152 21.222 -3.575 1.00 11.21 H new ATOM 0 HE2 HIS A 15 -7.035 19.550 -5.126 1.00 55.14 H new ATOM 254 N GLY A 16 -7.342 15.152 1.250 1.00 34.24 N ATOM 255 CA GLY A 16 -7.740 14.284 2.358 1.00 62.21 C ATOM 256 C GLY A 16 -8.699 13.153 1.972 1.00 23.34 C ATOM 257 O GLY A 16 -9.814 13.075 2.490 1.00 74.20 O ATOM 0 H GLY A 16 -6.377 15.030 0.943 1.00 34.24 H new ATOM 0 HA2 GLY A 16 -6.844 13.848 2.800 1.00 62.21 H new ATOM 0 HA3 GLY A 16 -8.211 14.894 3.129 1.00 62.21 H new ATOM 261 N LYS A 17 -8.265 12.268 1.077 1.00 31.12 N ATOM 262 CA LYS A 17 -9.063 11.087 0.697 1.00 31.30 C ATOM 263 C LYS A 17 -8.555 9.812 1.397 1.00 2.24 C ATOM 264 O LYS A 17 -9.202 8.768 1.340 1.00 4.45 O ATOM 265 CB LYS A 17 -9.017 10.891 -0.824 1.00 42.24 C ATOM 266 CG LYS A 17 -9.685 12.006 -1.624 1.00 72.12 C ATOM 267 CD LYS A 17 -11.198 12.008 -1.437 1.00 32.04 C ATOM 268 CE LYS A 17 -11.878 13.041 -2.327 1.00 41.11 C ATOM 269 NZ LYS A 17 -13.359 12.943 -2.249 1.00 74.54 N ATOM 0 H LYS A 17 -7.367 12.339 0.598 1.00 31.12 H new ATOM 0 HA LYS A 17 -10.090 11.263 1.016 1.00 31.30 H new ATOM 0 HB2 LYS A 17 -7.976 10.810 -1.136 1.00 42.24 H new ATOM 0 HB3 LYS A 17 -9.498 9.945 -1.071 1.00 42.24 H new ATOM 0 HG2 LYS A 17 -9.279 12.969 -1.314 1.00 72.12 H new ATOM 0 HG3 LYS A 17 -9.450 11.886 -2.681 1.00 72.12 H new ATOM 0 HD2 LYS A 17 -11.593 11.018 -1.663 1.00 32.04 H new ATOM 0 HD3 LYS A 17 -11.435 12.215 -0.393 1.00 32.04 H new ATOM 0 HE2 LYS A 17 -11.563 14.041 -2.030 1.00 41.11 H new ATOM 0 HE3 LYS A 17 -11.558 12.900 -3.359 1.00 41.11 H new ATOM 0 HZ1 LYS A 17 -13.787 13.661 -2.867 1.00 74.54 H new ATOM 0 HZ2 LYS A 17 -13.661 11.996 -2.556 1.00 74.54 H new ATOM 0 HZ3 LYS A 17 -13.666 13.103 -1.268 1.00 74.54 H new ATOM 283 N ASN A 18 -7.387 9.915 2.051 1.00 1.22 N ATOM 284 CA ASN A 18 -6.738 8.770 2.719 1.00 22.12 C ATOM 285 C ASN A 18 -6.237 7.732 1.689 1.00 15.12 C ATOM 286 O ASN A 18 -7.032 7.131 0.974 1.00 2.44 O ATOM 287 CB ASN A 18 -7.695 8.109 3.726 1.00 41.13 C ATOM 288 CG ASN A 18 -7.062 6.936 4.450 1.00 60.11 C ATOM 289 OD1 ASN A 18 -7.133 5.798 3.996 1.00 34.52 O ATOM 290 ND2 ASN A 18 -6.442 7.196 5.582 1.00 22.24 N ATOM 0 H ASN A 18 -6.866 10.788 2.133 1.00 1.22 H new ATOM 0 HA ASN A 18 -5.874 9.151 3.263 1.00 22.12 H new ATOM 0 HB2 ASN A 18 -8.017 8.851 4.457 1.00 41.13 H new ATOM 0 HB3 ASN A 18 -8.589 7.769 3.203 1.00 41.13 H new ATOM 0 HD21 ASN A 18 -6.003 6.440 6.108 1.00 22.24 H new ATOM 0 HD22 ASN A 18 -6.401 8.153 5.933 1.00 22.24 H new ATOM 297 N PRO A 19 -4.904 7.496 1.620 1.00 41.14 N ATOM 298 CA PRO A 19 -4.290 6.620 0.593 1.00 3.15 C ATOM 299 C PRO A 19 -4.955 5.239 0.466 1.00 41.11 C ATOM 300 O PRO A 19 -5.132 4.731 -0.641 1.00 33.44 O ATOM 301 CB PRO A 19 -2.825 6.478 1.053 1.00 50.41 C ATOM 302 CG PRO A 19 -2.776 7.039 2.438 1.00 23.05 C ATOM 303 CD PRO A 19 -3.885 8.048 2.527 1.00 54.01 C ATOM 0 HA PRO A 19 -4.403 7.056 -0.399 1.00 3.15 H new ATOM 0 HB2 PRO A 19 -2.512 5.434 1.043 1.00 50.41 H new ATOM 0 HB3 PRO A 19 -2.152 7.019 0.388 1.00 50.41 H new ATOM 0 HG2 PRO A 19 -2.907 6.252 3.181 1.00 23.05 H new ATOM 0 HG3 PRO A 19 -1.810 7.505 2.634 1.00 23.05 H new ATOM 0 HD2 PRO A 19 -4.261 8.146 3.545 1.00 54.01 H new ATOM 0 HD3 PRO A 19 -3.557 9.038 2.211 1.00 54.01 H new ATOM 311 N VAL A 20 -5.320 4.638 1.594 1.00 70.30 N ATOM 312 CA VAL A 20 -5.943 3.311 1.586 1.00 31.11 C ATOM 313 C VAL A 20 -7.290 3.328 0.837 1.00 53.03 C ATOM 314 O VAL A 20 -7.489 2.585 -0.126 1.00 13.21 O ATOM 315 CB VAL A 20 -6.156 2.778 3.027 1.00 42.04 C ATOM 316 CG1 VAL A 20 -6.768 1.376 3.008 1.00 20.45 C ATOM 317 CG2 VAL A 20 -4.837 2.785 3.802 1.00 3.41 C ATOM 0 H VAL A 20 -5.198 5.043 2.522 1.00 70.30 H new ATOM 0 HA VAL A 20 -5.259 2.643 1.063 1.00 31.11 H new ATOM 0 HB VAL A 20 -6.856 3.442 3.535 1.00 42.04 H new ATOM 0 HG11 VAL A 20 -6.907 1.026 4.031 1.00 20.45 H new ATOM 0 HG12 VAL A 20 -7.732 1.407 2.501 1.00 20.45 H new ATOM 0 HG13 VAL A 20 -6.101 0.695 2.479 1.00 20.45 H new ATOM 0 HG21 VAL A 20 -5.006 2.408 4.811 1.00 3.41 H new ATOM 0 HG22 VAL A 20 -4.113 2.149 3.293 1.00 3.41 H new ATOM 0 HG23 VAL A 20 -4.452 3.803 3.855 1.00 3.41 H new ATOM 327 N MET A 21 -8.204 4.195 1.271 1.00 73.03 N ATOM 328 CA MET A 21 -9.529 4.296 0.644 1.00 23.22 C ATOM 329 C MET A 21 -9.426 4.826 -0.794 1.00 60.53 C ATOM 330 O MET A 21 -10.097 4.322 -1.698 1.00 53.03 O ATOM 331 CB MET A 21 -10.450 5.194 1.479 1.00 50.03 C ATOM 332 CG MET A 21 -10.611 4.720 2.918 1.00 34.10 C ATOM 333 SD MET A 21 -11.862 5.646 3.834 1.00 53.25 S ATOM 334 CE MET A 21 -11.254 7.324 3.666 1.00 41.30 C ATOM 0 H MET A 21 -8.056 4.836 2.050 1.00 73.03 H new ATOM 0 HA MET A 21 -9.957 3.294 0.603 1.00 23.22 H new ATOM 0 HB2 MET A 21 -10.053 6.209 1.480 1.00 50.03 H new ATOM 0 HB3 MET A 21 -11.431 5.236 1.006 1.00 50.03 H new ATOM 0 HG2 MET A 21 -10.877 3.663 2.918 1.00 34.10 H new ATOM 0 HG3 MET A 21 -9.654 4.808 3.432 1.00 34.10 H new ATOM 0 HE1 MET A 21 -12.017 8.023 4.008 1.00 41.30 H new ATOM 0 HE2 MET A 21 -10.353 7.447 4.267 1.00 41.30 H new ATOM 0 HE3 MET A 21 -11.022 7.524 2.620 1.00 41.30 H new ATOM 344 N GLU A 22 -8.579 5.838 -0.991 1.00 74.20 N ATOM 345 CA GLU A 22 -8.284 6.373 -2.330 1.00 13.42 C ATOM 346 C GLU A 22 -7.906 5.250 -3.305 1.00 60.23 C ATOM 347 O GLU A 22 -8.500 5.107 -4.375 1.00 74.14 O ATOM 348 CB GLU A 22 -7.118 7.369 -2.252 1.00 33.15 C ATOM 349 CG GLU A 22 -6.707 7.952 -3.604 1.00 43.23 C ATOM 350 CD GLU A 22 -7.648 9.041 -4.088 1.00 62.14 C ATOM 351 OE1 GLU A 22 -7.521 10.191 -3.617 1.00 3.11 O ATOM 352 OE2 GLU A 22 -8.510 8.757 -4.946 1.00 74.32 O ATOM 0 H GLU A 22 -8.080 6.309 -0.237 1.00 74.20 H new ATOM 0 HA GLU A 22 -9.183 6.872 -2.693 1.00 13.42 H new ATOM 0 HB2 GLU A 22 -7.395 8.185 -1.585 1.00 33.15 H new ATOM 0 HB3 GLU A 22 -6.257 6.871 -1.806 1.00 33.15 H new ATOM 0 HG2 GLU A 22 -5.698 8.358 -3.528 1.00 43.23 H new ATOM 0 HG3 GLU A 22 -6.674 7.152 -4.344 1.00 43.23 H new ATOM 359 N LEU A 23 -6.905 4.461 -2.918 1.00 5.32 N ATOM 360 CA LEU A 23 -6.428 3.342 -3.732 1.00 20.42 C ATOM 361 C LEU A 23 -7.564 2.364 -4.057 1.00 60.55 C ATOM 362 O LEU A 23 -7.670 1.877 -5.180 1.00 1.12 O ATOM 363 CB LEU A 23 -5.294 2.610 -3.001 1.00 13.04 C ATOM 364 CG LEU A 23 -4.594 1.507 -3.807 1.00 73.01 C ATOM 365 CD1 LEU A 23 -3.893 2.093 -5.032 1.00 54.41 C ATOM 366 CD2 LEU A 23 -3.606 0.747 -2.922 1.00 13.22 C ATOM 0 H LEU A 23 -6.404 4.577 -2.037 1.00 5.32 H new ATOM 0 HA LEU A 23 -6.052 3.743 -4.673 1.00 20.42 H new ATOM 0 HB2 LEU A 23 -4.547 3.344 -2.697 1.00 13.04 H new ATOM 0 HB3 LEU A 23 -5.697 2.170 -2.089 1.00 13.04 H new ATOM 0 HG LEU A 23 -5.349 0.804 -4.159 1.00 73.01 H new ATOM 0 HD11 LEU A 23 -3.404 1.294 -5.588 1.00 54.41 H new ATOM 0 HD12 LEU A 23 -4.627 2.583 -5.671 1.00 54.41 H new ATOM 0 HD13 LEU A 23 -3.148 2.821 -4.711 1.00 54.41 H new ATOM 0 HD21 LEU A 23 -3.118 -0.032 -3.508 1.00 13.22 H new ATOM 0 HD22 LEU A 23 -2.855 1.438 -2.539 1.00 13.22 H new ATOM 0 HD23 LEU A 23 -4.140 0.292 -2.088 1.00 13.22 H new ATOM 378 N ASN A 24 -8.420 2.097 -3.073 1.00 74.33 N ATOM 379 CA ASN A 24 -9.573 1.212 -3.267 1.00 32.10 C ATOM 380 C ASN A 24 -10.623 1.821 -4.225 1.00 42.15 C ATOM 381 O ASN A 24 -11.404 1.091 -4.840 1.00 12.01 O ATOM 382 CB ASN A 24 -10.204 0.860 -1.913 1.00 11.41 C ATOM 383 CG ASN A 24 -9.495 -0.298 -1.233 1.00 34.50 C ATOM 384 OD1 ASN A 24 -9.882 -1.452 -1.379 1.00 4.32 O ATOM 385 ND2 ASN A 24 -8.445 -0.005 -0.498 1.00 52.44 N ATOM 0 H ASN A 24 -8.339 2.480 -2.131 1.00 74.33 H new ATOM 0 HA ASN A 24 -9.211 0.298 -3.737 1.00 32.10 H new ATOM 0 HB2 ASN A 24 -10.175 1.734 -1.262 1.00 11.41 H new ATOM 0 HB3 ASN A 24 -11.254 0.606 -2.059 1.00 11.41 H new ATOM 0 HD21 ASN A 24 -7.927 -0.748 -0.029 1.00 52.44 H new ATOM 0 HD22 ASN A 24 -8.148 0.966 -0.396 1.00 52.44 H new ATOM 392 N GLU A 25 -10.649 3.153 -4.343 1.00 22.31 N ATOM 393 CA GLU A 25 -11.511 3.818 -5.339 1.00 1.43 C ATOM 394 C GLU A 25 -10.824 3.866 -6.712 1.00 51.11 C ATOM 395 O GLU A 25 -11.479 3.839 -7.757 1.00 52.21 O ATOM 396 CB GLU A 25 -11.885 5.245 -4.896 1.00 45.13 C ATOM 397 CG GLU A 25 -12.557 5.315 -3.527 1.00 43.32 C ATOM 398 CD GLU A 25 -13.303 6.624 -3.288 1.00 72.10 C ATOM 399 OE1 GLU A 25 -12.687 7.703 -3.403 1.00 72.42 O ATOM 400 OE2 GLU A 25 -14.523 6.573 -3.002 1.00 62.42 O ATOM 0 H GLU A 25 -10.093 3.789 -3.772 1.00 22.31 H new ATOM 0 HA GLU A 25 -12.425 3.230 -5.419 1.00 1.43 H new ATOM 0 HB2 GLU A 25 -10.983 5.857 -4.878 1.00 45.13 H new ATOM 0 HB3 GLU A 25 -12.552 5.682 -5.639 1.00 45.13 H new ATOM 0 HG2 GLU A 25 -13.255 4.484 -3.430 1.00 43.32 H new ATOM 0 HG3 GLU A 25 -11.801 5.189 -2.752 1.00 43.32 H new ATOM 407 N LYS A 26 -9.495 3.943 -6.695 1.00 44.11 N ATOM 408 CA LYS A 26 -8.690 3.956 -7.920 1.00 11.12 C ATOM 409 C LYS A 26 -8.670 2.576 -8.605 1.00 45.33 C ATOM 410 O LYS A 26 -8.826 2.475 -9.824 1.00 23.34 O ATOM 411 CB LYS A 26 -7.255 4.414 -7.597 1.00 53.23 C ATOM 412 CG LYS A 26 -7.112 5.919 -7.373 1.00 42.11 C ATOM 413 CD LYS A 26 -7.443 6.716 -8.638 1.00 55.21 C ATOM 414 CE LYS A 26 -7.087 8.193 -8.495 1.00 13.51 C ATOM 415 NZ LYS A 26 -7.914 8.878 -7.467 1.00 75.21 N ATOM 0 H LYS A 26 -8.946 3.998 -5.837 1.00 44.11 H new ATOM 0 HA LYS A 26 -9.148 4.659 -8.616 1.00 11.12 H new ATOM 0 HB2 LYS A 26 -6.911 3.891 -6.705 1.00 53.23 H new ATOM 0 HB3 LYS A 26 -6.598 4.116 -8.414 1.00 53.23 H new ATOM 0 HG2 LYS A 26 -7.773 6.230 -6.564 1.00 42.11 H new ATOM 0 HG3 LYS A 26 -6.093 6.144 -7.057 1.00 42.11 H new ATOM 0 HD2 LYS A 26 -6.902 6.293 -9.484 1.00 55.21 H new ATOM 0 HD3 LYS A 26 -8.506 6.619 -8.859 1.00 55.21 H new ATOM 0 HE2 LYS A 26 -6.034 8.286 -8.231 1.00 13.51 H new ATOM 0 HE3 LYS A 26 -7.220 8.691 -9.455 1.00 13.51 H new ATOM 0 HZ1 LYS A 26 -7.568 9.850 -7.334 1.00 75.21 H new ATOM 0 HZ2 LYS A 26 -8.906 8.903 -7.779 1.00 75.21 H new ATOM 0 HZ3 LYS A 26 -7.847 8.361 -6.567 1.00 75.21 H new ATOM 429 N ARG A 27 -8.489 1.517 -7.816 1.00 65.11 N ATOM 430 CA ARG A 27 -8.473 0.136 -8.328 1.00 64.31 C ATOM 431 C ARG A 27 -9.159 -0.822 -7.337 1.00 2.02 C ATOM 432 O ARG A 27 -9.234 -0.537 -6.143 1.00 4.52 O ATOM 433 CB ARG A 27 -7.025 -0.341 -8.561 1.00 4.12 C ATOM 434 CG ARG A 27 -6.249 0.430 -9.631 1.00 11.04 C ATOM 435 CD ARG A 27 -6.811 0.208 -11.035 1.00 32.21 C ATOM 436 NE ARG A 27 -5.970 0.833 -12.057 1.00 20.43 N ATOM 437 CZ ARG A 27 -6.295 0.957 -13.315 1.00 51.42 C ATOM 438 NH1 ARG A 27 -7.434 0.527 -13.754 1.00 62.30 N ATOM 439 NH2 ARG A 27 -5.467 1.518 -14.134 1.00 71.50 N ATOM 0 H ARG A 27 -8.349 1.585 -6.808 1.00 65.11 H new ATOM 0 HA ARG A 27 -9.016 0.129 -9.273 1.00 64.31 H new ATOM 0 HB2 ARG A 27 -6.481 -0.271 -7.619 1.00 4.12 H new ATOM 0 HB3 ARG A 27 -7.047 -1.395 -8.839 1.00 4.12 H new ATOM 0 HG2 ARG A 27 -6.274 1.494 -9.397 1.00 11.04 H new ATOM 0 HG3 ARG A 27 -5.203 0.123 -9.609 1.00 11.04 H new ATOM 0 HD2 ARG A 27 -6.889 -0.861 -11.231 1.00 32.21 H new ATOM 0 HD3 ARG A 27 -7.820 0.617 -11.093 1.00 32.21 H new ATOM 0 HE ARG A 27 -5.064 1.198 -11.765 1.00 20.43 H new ATOM 0 HH11 ARG A 27 -8.093 0.084 -13.114 1.00 62.30 H new ATOM 0 HH12 ARG A 27 -7.673 0.632 -14.740 1.00 62.30 H new ATOM 0 HH21 ARG A 27 -4.568 1.860 -13.796 1.00 71.50 H new ATOM 0 HH22 ARG A 27 -5.713 1.619 -15.119 1.00 71.50 H new ATOM 453 N ARG A 28 -9.660 -1.958 -7.827 1.00 3.10 N ATOM 454 CA ARG A 28 -10.188 -3.008 -6.936 1.00 52.33 C ATOM 455 C ARG A 28 -9.544 -4.365 -7.243 1.00 25.15 C ATOM 456 O ARG A 28 -8.963 -4.559 -8.310 1.00 63.52 O ATOM 457 CB ARG A 28 -11.727 -3.106 -7.001 1.00 43.31 C ATOM 458 CG ARG A 28 -12.307 -3.772 -8.249 1.00 50.50 C ATOM 459 CD ARG A 28 -12.104 -2.944 -9.515 1.00 1.14 C ATOM 460 NE ARG A 28 -13.002 -3.360 -10.589 1.00 74.13 N ATOM 461 CZ ARG A 28 -12.677 -3.411 -11.851 1.00 1.22 C ATOM 462 NH1 ARG A 28 -11.460 -3.191 -12.231 1.00 53.35 N ATOM 463 NH2 ARG A 28 -13.578 -3.717 -12.725 1.00 21.41 N ATOM 0 H ARG A 28 -9.714 -2.178 -8.821 1.00 3.10 H new ATOM 0 HA ARG A 28 -9.924 -2.723 -5.917 1.00 52.33 H new ATOM 0 HB2 ARG A 28 -12.073 -3.657 -6.126 1.00 43.31 H new ATOM 0 HB3 ARG A 28 -12.138 -2.099 -6.927 1.00 43.31 H new ATOM 0 HG2 ARG A 28 -11.842 -4.749 -8.382 1.00 50.50 H new ATOM 0 HG3 ARG A 28 -13.373 -3.943 -8.101 1.00 50.50 H new ATOM 0 HD2 ARG A 28 -12.271 -1.891 -9.290 1.00 1.14 H new ATOM 0 HD3 ARG A 28 -11.071 -3.039 -9.849 1.00 1.14 H new ATOM 0 HE ARG A 28 -13.952 -3.630 -10.334 1.00 74.13 H new ATOM 0 HH11 ARG A 28 -10.741 -2.975 -11.540 1.00 53.35 H new ATOM 0 HH12 ARG A 28 -11.219 -3.234 -13.221 1.00 53.35 H new ATOM 0 HH21 ARG A 28 -14.533 -3.916 -12.425 1.00 21.41 H new ATOM 0 HH22 ARG A 28 -13.335 -3.760 -13.715 1.00 21.41 H new ATOM 477 N GLY A 29 -9.656 -5.303 -6.309 1.00 63.14 N ATOM 478 CA GLY A 29 -8.941 -6.571 -6.433 1.00 44.20 C ATOM 479 C GLY A 29 -7.529 -6.477 -5.864 1.00 74.43 C ATOM 480 O GLY A 29 -6.606 -7.155 -6.321 1.00 63.52 O ATOM 0 H GLY A 29 -10.226 -5.214 -5.468 1.00 63.14 H new ATOM 0 HA2 GLY A 29 -9.493 -7.353 -5.911 1.00 44.20 H new ATOM 0 HA3 GLY A 29 -8.892 -6.861 -7.483 1.00 44.20 H new ATOM 484 N LEU A 30 -7.377 -5.620 -4.857 1.00 73.52 N ATOM 485 CA LEU A 30 -6.081 -5.349 -4.232 1.00 52.33 C ATOM 486 C LEU A 30 -5.740 -6.406 -3.173 1.00 1.51 C ATOM 487 O LEU A 30 -6.618 -7.120 -2.679 1.00 21.00 O ATOM 488 CB LEU A 30 -6.103 -3.956 -3.582 1.00 14.32 C ATOM 489 CG LEU A 30 -6.620 -2.815 -4.476 1.00 12.32 C ATOM 490 CD1 LEU A 30 -6.666 -1.502 -3.699 1.00 54.25 C ATOM 491 CD2 LEU A 30 -5.757 -2.679 -5.729 1.00 54.23 C ATOM 0 H LEU A 30 -8.149 -5.092 -4.450 1.00 73.52 H new ATOM 0 HA LEU A 30 -5.316 -5.385 -5.007 1.00 52.33 H new ATOM 0 HB2 LEU A 30 -6.723 -4.002 -2.687 1.00 14.32 H new ATOM 0 HB3 LEU A 30 -5.092 -3.710 -3.257 1.00 14.32 H new ATOM 0 HG LEU A 30 -7.635 -3.057 -4.790 1.00 12.32 H new ATOM 0 HD11 LEU A 30 -7.034 -0.708 -4.348 1.00 54.25 H new ATOM 0 HD12 LEU A 30 -7.332 -1.609 -2.843 1.00 54.25 H new ATOM 0 HD13 LEU A 30 -5.664 -1.250 -3.350 1.00 54.25 H new ATOM 0 HD21 LEU A 30 -6.139 -1.867 -6.348 1.00 54.23 H new ATOM 0 HD22 LEU A 30 -4.728 -2.462 -5.441 1.00 54.23 H new ATOM 0 HD23 LEU A 30 -5.787 -3.611 -6.294 1.00 54.23 H new ATOM 503 N LYS A 31 -4.466 -6.494 -2.815 1.00 53.25 N ATOM 504 CA LYS A 31 -4.023 -7.435 -1.782 1.00 53.43 C ATOM 505 C LYS A 31 -3.061 -6.774 -0.787 1.00 53.24 C ATOM 506 O LYS A 31 -1.900 -6.525 -1.105 1.00 44.23 O ATOM 507 CB LYS A 31 -3.362 -8.661 -2.429 1.00 1.11 C ATOM 508 CG LYS A 31 -2.840 -9.683 -1.420 1.00 62.14 C ATOM 509 CD LYS A 31 -2.371 -10.968 -2.104 1.00 53.54 C ATOM 510 CE LYS A 31 -3.493 -11.636 -2.898 1.00 3.41 C ATOM 511 NZ LYS A 31 -3.048 -12.905 -3.533 1.00 32.10 N ATOM 0 H LYS A 31 -3.719 -5.929 -3.220 1.00 53.25 H new ATOM 0 HA LYS A 31 -4.904 -7.755 -1.226 1.00 53.43 H new ATOM 0 HB2 LYS A 31 -4.084 -9.148 -3.085 1.00 1.11 H new ATOM 0 HB3 LYS A 31 -2.535 -8.328 -3.056 1.00 1.11 H new ATOM 0 HG2 LYS A 31 -2.014 -9.249 -0.857 1.00 62.14 H new ATOM 0 HG3 LYS A 31 -3.626 -9.919 -0.702 1.00 62.14 H new ATOM 0 HD2 LYS A 31 -1.540 -10.741 -2.772 1.00 53.54 H new ATOM 0 HD3 LYS A 31 -1.995 -11.662 -1.353 1.00 53.54 H new ATOM 0 HE2 LYS A 31 -4.335 -11.838 -2.236 1.00 3.41 H new ATOM 0 HE3 LYS A 31 -3.850 -10.951 -3.667 1.00 3.41 H new ATOM 0 HZ1 LYS A 31 -3.839 -13.325 -4.061 1.00 32.10 H new ATOM 0 HZ2 LYS A 31 -2.261 -12.710 -4.185 1.00 32.10 H new ATOM 0 HZ3 LYS A 31 -2.732 -13.569 -2.798 1.00 32.10 H new ATOM 525 N TYR A 32 -3.563 -6.474 0.411 1.00 54.43 N ATOM 526 CA TYR A 32 -2.731 -5.935 1.494 1.00 42.41 C ATOM 527 C TYR A 32 -2.165 -7.072 2.363 1.00 23.11 C ATOM 528 O TYR A 32 -2.918 -7.779 3.038 1.00 50.23 O ATOM 529 CB TYR A 32 -3.549 -4.984 2.381 1.00 12.03 C ATOM 530 CG TYR A 32 -4.079 -3.746 1.675 1.00 62.41 C ATOM 531 CD1 TYR A 32 -3.328 -2.574 1.620 1.00 52.35 C ATOM 532 CD2 TYR A 32 -5.341 -3.744 1.087 1.00 63.13 C ATOM 533 CE1 TYR A 32 -3.819 -1.438 1.001 1.00 13.15 C ATOM 534 CE2 TYR A 32 -5.836 -2.614 0.462 1.00 60.55 C ATOM 535 CZ TYR A 32 -5.074 -1.464 0.423 1.00 43.32 C ATOM 536 OH TYR A 32 -5.572 -0.334 -0.189 1.00 34.43 O ATOM 0 H TYR A 32 -4.545 -6.595 0.659 1.00 54.43 H new ATOM 0 HA TYR A 32 -1.907 -5.386 1.038 1.00 42.41 H new ATOM 0 HB2 TYR A 32 -4.392 -5.535 2.798 1.00 12.03 H new ATOM 0 HB3 TYR A 32 -2.928 -4.668 3.219 1.00 12.03 H new ATOM 0 HD1 TYR A 32 -2.346 -2.552 2.068 1.00 52.35 H new ATOM 0 HD2 TYR A 32 -5.943 -4.640 1.120 1.00 63.13 H new ATOM 0 HE1 TYR A 32 -3.225 -0.537 0.970 1.00 13.15 H new ATOM 0 HE2 TYR A 32 -6.815 -2.631 0.006 1.00 60.55 H new ATOM 0 HH TYR A 32 -5.901 -0.564 -1.083 1.00 34.43 H new ATOM 546 N GLU A 33 -0.846 -7.256 2.342 1.00 51.23 N ATOM 547 CA GLU A 33 -0.195 -8.275 3.181 1.00 42.45 C ATOM 548 C GLU A 33 0.964 -7.687 4.000 1.00 72.23 C ATOM 549 O GLU A 33 1.421 -6.569 3.752 1.00 61.33 O ATOM 550 CB GLU A 33 0.315 -9.434 2.318 1.00 35.42 C ATOM 551 CG GLU A 33 1.376 -9.036 1.299 1.00 64.42 C ATOM 552 CD GLU A 33 1.814 -10.205 0.431 1.00 41.34 C ATOM 553 OE1 GLU A 33 1.065 -10.576 -0.496 1.00 60.41 O ATOM 554 OE2 GLU A 33 2.896 -10.774 0.687 1.00 51.53 O ATOM 0 H GLU A 33 -0.205 -6.719 1.758 1.00 51.23 H new ATOM 0 HA GLU A 33 -0.945 -8.646 3.879 1.00 42.45 H new ATOM 0 HB2 GLU A 33 0.725 -10.205 2.971 1.00 35.42 H new ATOM 0 HB3 GLU A 33 -0.529 -9.879 1.791 1.00 35.42 H new ATOM 0 HG2 GLU A 33 0.985 -8.241 0.663 1.00 64.42 H new ATOM 0 HG3 GLU A 33 2.243 -8.630 1.821 1.00 64.42 H new ATOM 561 N LEU A 34 1.444 -8.462 4.965 1.00 1.43 N ATOM 562 CA LEU A 34 2.515 -8.025 5.868 1.00 71.20 C ATOM 563 C LEU A 34 3.874 -8.608 5.446 1.00 74.31 C ATOM 564 O LEU A 34 4.062 -9.826 5.423 1.00 44.02 O ATOM 565 CB LEU A 34 2.194 -8.455 7.308 1.00 2.24 C ATOM 566 CG LEU A 34 3.262 -8.111 8.364 1.00 13.32 C ATOM 567 CD1 LEU A 34 3.393 -6.599 8.549 1.00 12.33 C ATOM 568 CD2 LEU A 34 2.941 -8.792 9.691 1.00 34.31 C ATOM 0 H LEU A 34 1.107 -9.407 5.148 1.00 1.43 H new ATOM 0 HA LEU A 34 2.577 -6.938 5.814 1.00 71.20 H new ATOM 0 HB2 LEU A 34 1.254 -7.990 7.605 1.00 2.24 H new ATOM 0 HB3 LEU A 34 2.034 -9.533 7.318 1.00 2.24 H new ATOM 0 HG LEU A 34 4.221 -8.485 8.006 1.00 13.32 H new ATOM 0 HD11 LEU A 34 4.154 -6.389 9.300 1.00 12.33 H new ATOM 0 HD12 LEU A 34 3.681 -6.140 7.603 1.00 12.33 H new ATOM 0 HD13 LEU A 34 2.438 -6.188 8.876 1.00 12.33 H new ATOM 0 HD21 LEU A 34 3.706 -8.538 10.425 1.00 34.31 H new ATOM 0 HD22 LEU A 34 1.969 -8.453 10.048 1.00 34.31 H new ATOM 0 HD23 LEU A 34 2.919 -9.873 9.549 1.00 34.31 H new ATOM 580 N ILE A 35 4.820 -7.735 5.115 1.00 71.10 N ATOM 581 CA ILE A 35 6.166 -8.165 4.721 1.00 34.11 C ATOM 582 C ILE A 35 7.083 -8.313 5.946 1.00 52.34 C ATOM 583 O ILE A 35 7.841 -9.281 6.061 1.00 2.05 O ATOM 584 CB ILE A 35 6.799 -7.159 3.722 1.00 15.11 C ATOM 585 CG1 ILE A 35 5.905 -7.001 2.481 1.00 1.35 C ATOM 586 CG2 ILE A 35 8.213 -7.594 3.321 1.00 20.21 C ATOM 587 CD1 ILE A 35 5.679 -8.291 1.718 1.00 22.23 C ATOM 0 H ILE A 35 4.684 -6.724 5.110 1.00 71.10 H new ATOM 0 HA ILE A 35 6.066 -9.136 4.236 1.00 34.11 H new ATOM 0 HB ILE A 35 6.877 -6.192 4.218 1.00 15.11 H new ATOM 0 HG12 ILE A 35 4.940 -6.599 2.789 1.00 1.35 H new ATOM 0 HG13 ILE A 35 6.356 -6.269 1.811 1.00 1.35 H new ATOM 0 HG21 ILE A 35 8.631 -6.871 2.621 1.00 20.21 H new ATOM 0 HG22 ILE A 35 8.843 -7.646 4.209 1.00 20.21 H new ATOM 0 HG23 ILE A 35 8.171 -8.575 2.848 1.00 20.21 H new ATOM 0 HD11 ILE A 35 5.039 -8.097 0.857 1.00 22.23 H new ATOM 0 HD12 ILE A 35 6.637 -8.685 1.377 1.00 22.23 H new ATOM 0 HD13 ILE A 35 5.198 -9.020 2.370 1.00 22.23 H new ATOM 599 N SER A 36 7.007 -7.350 6.862 1.00 22.43 N ATOM 600 CA SER A 36 7.861 -7.356 8.061 1.00 73.35 C ATOM 601 C SER A 36 7.212 -6.611 9.234 1.00 15.42 C ATOM 602 O SER A 36 6.756 -5.478 9.085 1.00 72.10 O ATOM 603 CB SER A 36 9.224 -6.722 7.754 1.00 44.11 C ATOM 604 OG SER A 36 10.049 -6.686 8.908 1.00 45.55 O ATOM 0 H SER A 36 6.368 -6.557 6.803 1.00 22.43 H new ATOM 0 HA SER A 36 7.994 -8.399 8.349 1.00 73.35 H new ATOM 0 HB2 SER A 36 9.721 -7.288 6.967 1.00 44.11 H new ATOM 0 HB3 SER A 36 9.080 -5.710 7.376 1.00 44.11 H new ATOM 0 HG SER A 36 10.911 -6.279 8.681 1.00 45.55 H new ATOM 610 N GLU A 37 7.175 -7.258 10.394 1.00 13.20 N ATOM 611 CA GLU A 37 6.698 -6.634 11.632 1.00 74.34 C ATOM 612 C GLU A 37 7.801 -6.675 12.702 1.00 1.34 C ATOM 613 O GLU A 37 8.001 -7.693 13.367 1.00 64.20 O ATOM 614 CB GLU A 37 5.435 -7.362 12.125 1.00 32.11 C ATOM 615 CG GLU A 37 4.904 -6.878 13.469 1.00 25.10 C ATOM 616 CD GLU A 37 3.635 -7.606 13.892 1.00 73.32 C ATOM 617 OE1 GLU A 37 3.732 -8.723 14.444 1.00 53.55 O ATOM 618 OE2 GLU A 37 2.528 -7.069 13.670 1.00 43.34 O ATOM 0 H GLU A 37 7.473 -8.227 10.507 1.00 13.20 H new ATOM 0 HA GLU A 37 6.448 -5.591 11.438 1.00 74.34 H new ATOM 0 HB2 GLU A 37 4.651 -7.247 11.377 1.00 32.11 H new ATOM 0 HB3 GLU A 37 5.652 -8.428 12.198 1.00 32.11 H new ATOM 0 HG2 GLU A 37 5.671 -7.019 14.231 1.00 25.10 H new ATOM 0 HG3 GLU A 37 4.703 -5.808 13.413 1.00 25.10 H new ATOM 625 N THR A 38 8.529 -5.565 12.859 1.00 12.23 N ATOM 626 CA THR A 38 9.688 -5.524 13.771 1.00 0.53 C ATOM 627 C THR A 38 9.711 -4.249 14.627 1.00 34.52 C ATOM 628 O THR A 38 9.011 -3.277 14.341 1.00 43.11 O ATOM 629 CB THR A 38 11.031 -5.618 12.996 1.00 72.54 C ATOM 630 OG1 THR A 38 11.160 -4.518 12.080 1.00 72.34 O ATOM 631 CG2 THR A 38 11.143 -6.931 12.229 1.00 42.14 C ATOM 0 H THR A 38 8.343 -4.688 12.373 1.00 12.23 H new ATOM 0 HA THR A 38 9.578 -6.390 14.424 1.00 0.53 H new ATOM 0 HB THR A 38 11.835 -5.578 13.731 1.00 72.54 H new ATOM 0 HG1 THR A 38 12.011 -4.590 11.600 1.00 72.34 H new ATOM 0 HG21 THR A 38 12.095 -6.963 11.699 1.00 42.14 H new ATOM 0 HG22 THR A 38 11.089 -7.766 12.927 1.00 42.14 H new ATOM 0 HG23 THR A 38 10.325 -7.004 11.512 1.00 42.14 H new ATOM 639 N GLY A 39 10.520 -4.266 15.687 1.00 13.21 N ATOM 640 CA GLY A 39 10.662 -3.096 16.550 1.00 2.01 C ATOM 641 C GLY A 39 10.842 -3.450 18.026 1.00 1.22 C ATOM 642 O GLY A 39 9.868 -3.708 18.733 1.00 71.50 O ATOM 0 H GLY A 39 11.082 -5.070 15.966 1.00 13.21 H new ATOM 0 HA2 GLY A 39 11.519 -2.510 16.217 1.00 2.01 H new ATOM 0 HA3 GLY A 39 9.781 -2.463 16.440 1.00 2.01 H new ATOM 646 N GLY A 40 12.092 -3.470 18.485 1.00 42.10 N ATOM 647 CA GLY A 40 12.389 -3.699 19.901 1.00 12.35 C ATOM 648 C GLY A 40 13.426 -2.712 20.429 1.00 34.35 C ATOM 649 O GLY A 40 14.566 -2.701 19.965 1.00 3.51 O ATOM 0 H GLY A 40 12.915 -3.331 17.899 1.00 42.10 H new ATOM 0 HA2 GLY A 40 11.472 -3.610 20.484 1.00 12.35 H new ATOM 0 HA3 GLY A 40 12.754 -4.717 20.036 1.00 12.35 H new ATOM 653 N SER A 41 13.027 -1.869 21.389 1.00 0.42 N ATOM 654 CA SER A 41 13.894 -0.787 21.902 1.00 51.10 C ATOM 655 C SER A 41 14.292 0.177 20.771 1.00 10.31 C ATOM 656 O SER A 41 15.265 0.924 20.879 1.00 32.33 O ATOM 657 CB SER A 41 15.148 -1.364 22.578 1.00 72.22 C ATOM 658 OG SER A 41 14.802 -2.206 23.670 1.00 62.35 O ATOM 0 H SER A 41 12.109 -1.911 21.831 1.00 0.42 H new ATOM 0 HA SER A 41 13.327 -0.229 22.648 1.00 51.10 H new ATOM 0 HB2 SER A 41 15.730 -1.929 21.850 1.00 72.22 H new ATOM 0 HB3 SER A 41 15.782 -0.550 22.930 1.00 72.22 H new ATOM 0 HG SER A 41 15.618 -2.561 24.081 1.00 62.35 H new ATOM 664 N HIS A 42 13.498 0.163 19.702 1.00 53.43 N ATOM 665 CA HIS A 42 13.749 0.957 18.494 1.00 62.32 C ATOM 666 C HIS A 42 12.405 1.328 17.848 1.00 51.04 C ATOM 667 O HIS A 42 11.384 0.706 18.157 1.00 53.21 O ATOM 668 CB HIS A 42 14.608 0.129 17.520 1.00 70.01 C ATOM 669 CG HIS A 42 15.130 0.887 16.333 1.00 35.00 C ATOM 670 ND1 HIS A 42 16.185 1.769 16.417 1.00 2.02 N ATOM 671 CD2 HIS A 42 14.761 0.872 15.027 1.00 71.31 C ATOM 672 CE1 HIS A 42 16.441 2.264 15.223 1.00 63.43 C ATOM 673 NE2 HIS A 42 15.595 1.739 14.364 1.00 40.31 N ATOM 0 H HIS A 42 12.653 -0.405 19.647 1.00 53.43 H new ATOM 0 HA HIS A 42 14.283 1.873 18.745 1.00 62.32 H new ATOM 0 HB2 HIS A 42 15.454 -0.286 18.068 1.00 70.01 H new ATOM 0 HB3 HIS A 42 14.016 -0.713 17.163 1.00 70.01 H new ATOM 0 HD2 HIS A 42 13.963 0.289 14.592 1.00 71.31 H new ATOM 0 HE1 HIS A 42 17.215 2.980 14.989 1.00 63.43 H new ATOM 0 HE2 HIS A 42 15.563 1.943 13.365 1.00 40.31 H new ATOM 682 N ASP A 43 12.385 2.332 16.970 1.00 42.34 N ATOM 683 CA ASP A 43 11.141 2.712 16.289 1.00 52.21 C ATOM 684 C ASP A 43 10.528 1.517 15.530 1.00 43.12 C ATOM 685 O ASP A 43 11.201 0.842 14.749 1.00 74.12 O ATOM 686 CB ASP A 43 11.363 3.916 15.355 1.00 0.23 C ATOM 687 CG ASP A 43 12.541 3.739 14.411 1.00 64.31 C ATOM 688 OD1 ASP A 43 13.695 3.920 14.858 1.00 2.42 O ATOM 689 OD2 ASP A 43 12.324 3.453 13.218 1.00 63.02 O ATOM 0 H ASP A 43 13.200 2.890 16.715 1.00 42.34 H new ATOM 0 HA ASP A 43 10.425 3.015 17.053 1.00 52.21 H new ATOM 0 HB2 ASP A 43 10.459 4.083 14.769 1.00 0.23 H new ATOM 0 HB3 ASP A 43 11.522 4.810 15.958 1.00 0.23 H new ATOM 694 N LYS A 44 9.255 1.243 15.813 1.00 51.52 N ATOM 695 CA LYS A 44 8.542 0.102 15.227 1.00 65.34 C ATOM 696 C LYS A 44 8.491 0.178 13.693 1.00 54.24 C ATOM 697 O LYS A 44 7.881 1.082 13.125 1.00 3.31 O ATOM 698 CB LYS A 44 7.113 0.029 15.789 1.00 73.22 C ATOM 699 CG LYS A 44 7.048 -0.176 17.305 1.00 34.15 C ATOM 700 CD LYS A 44 7.624 -1.526 17.731 1.00 60.11 C ATOM 701 CE LYS A 44 6.760 -2.701 17.278 1.00 21.21 C ATOM 702 NZ LYS A 44 5.477 -2.771 18.027 1.00 11.34 N ATOM 0 H LYS A 44 8.689 1.801 16.452 1.00 51.52 H new ATOM 0 HA LYS A 44 9.093 -0.799 15.497 1.00 65.34 H new ATOM 0 HB2 LYS A 44 6.586 0.949 15.534 1.00 73.22 H new ATOM 0 HB3 LYS A 44 6.583 -0.788 15.299 1.00 73.22 H new ATOM 0 HG2 LYS A 44 7.597 0.624 17.802 1.00 34.15 H new ATOM 0 HG3 LYS A 44 6.012 -0.105 17.635 1.00 34.15 H new ATOM 0 HD2 LYS A 44 8.627 -1.636 17.318 1.00 60.11 H new ATOM 0 HD3 LYS A 44 7.722 -1.549 18.816 1.00 60.11 H new ATOM 0 HE2 LYS A 44 6.553 -2.609 16.212 1.00 21.21 H new ATOM 0 HE3 LYS A 44 7.312 -3.631 17.416 1.00 21.21 H new ATOM 0 HZ1 LYS A 44 4.975 -3.646 17.775 1.00 11.34 H new ATOM 0 HZ2 LYS A 44 5.671 -2.765 19.049 1.00 11.34 H new ATOM 0 HZ3 LYS A 44 4.887 -1.950 17.782 1.00 11.34 H new ATOM 716 N ARG A 45 9.131 -0.787 13.034 1.00 34.51 N ATOM 717 CA ARG A 45 9.153 -0.844 11.568 1.00 34.13 C ATOM 718 C ARG A 45 8.126 -1.854 11.030 1.00 74.21 C ATOM 719 O ARG A 45 8.359 -3.069 11.045 1.00 63.34 O ATOM 720 CB ARG A 45 10.560 -1.206 11.064 1.00 55.43 C ATOM 721 CG ARG A 45 10.686 -1.214 9.538 1.00 73.51 C ATOM 722 CD ARG A 45 12.103 -1.554 9.080 1.00 44.10 C ATOM 723 NE ARG A 45 12.255 -1.427 7.629 1.00 25.14 N ATOM 724 CZ ARG A 45 13.192 -0.722 7.048 1.00 73.21 C ATOM 725 NH1 ARG A 45 14.105 -0.126 7.745 1.00 3.44 N ATOM 726 NH2 ARG A 45 13.219 -0.625 5.761 1.00 32.41 N ATOM 0 H ARG A 45 9.643 -1.542 13.490 1.00 34.51 H new ATOM 0 HA ARG A 45 8.884 0.145 11.196 1.00 34.13 H new ATOM 0 HB2 ARG A 45 11.277 -0.495 11.475 1.00 55.43 H new ATOM 0 HB3 ARG A 45 10.831 -2.190 11.447 1.00 55.43 H new ATOM 0 HG2 ARG A 45 9.987 -1.939 9.121 1.00 73.51 H new ATOM 0 HG3 ARG A 45 10.404 -0.237 9.146 1.00 73.51 H new ATOM 0 HD2 ARG A 45 12.813 -0.894 9.578 1.00 44.10 H new ATOM 0 HD3 ARG A 45 12.347 -2.572 9.383 1.00 44.10 H new ATOM 0 HE ARG A 45 11.589 -1.919 7.034 1.00 25.14 H new ATOM 0 HH11 ARG A 45 14.101 -0.202 8.762 1.00 3.44 H new ATOM 0 HH12 ARG A 45 14.829 0.420 7.277 1.00 3.44 H new ATOM 0 HH21 ARG A 45 12.511 -1.097 5.199 1.00 32.41 H new ATOM 0 HH22 ARG A 45 13.948 -0.076 5.306 1.00 32.41 H new ATOM 740 N PHE A 46 6.985 -1.343 10.577 1.00 45.33 N ATOM 741 CA PHE A 46 5.966 -2.169 9.918 1.00 10.10 C ATOM 742 C PHE A 46 6.029 -1.992 8.397 1.00 23.41 C ATOM 743 O PHE A 46 5.830 -0.890 7.885 1.00 22.10 O ATOM 744 CB PHE A 46 4.565 -1.804 10.424 1.00 62.03 C ATOM 745 CG PHE A 46 4.334 -2.148 11.873 1.00 2.51 C ATOM 746 CD1 PHE A 46 4.720 -1.279 12.879 1.00 1.51 C ATOM 747 CD2 PHE A 46 3.732 -3.346 12.225 1.00 65.12 C ATOM 748 CE1 PHE A 46 4.507 -1.595 14.206 1.00 74.22 C ATOM 749 CE2 PHE A 46 3.517 -3.666 13.549 1.00 1.04 C ATOM 750 CZ PHE A 46 3.906 -2.791 14.542 1.00 23.43 C ATOM 0 H PHE A 46 6.738 -0.356 10.653 1.00 45.33 H new ATOM 0 HA PHE A 46 6.169 -3.212 10.161 1.00 10.10 H new ATOM 0 HB2 PHE A 46 4.405 -0.735 10.284 1.00 62.03 H new ATOM 0 HB3 PHE A 46 3.823 -2.320 9.815 1.00 62.03 H new ATOM 0 HD1 PHE A 46 5.193 -0.343 12.623 1.00 1.51 H new ATOM 0 HD2 PHE A 46 3.428 -4.037 11.453 1.00 65.12 H new ATOM 0 HE1 PHE A 46 4.811 -0.907 14.981 1.00 74.22 H new ATOM 0 HE2 PHE A 46 3.044 -4.602 13.809 1.00 1.04 H new ATOM 0 HZ PHE A 46 3.741 -3.041 15.580 1.00 23.43 H new ATOM 760 N VAL A 47 6.320 -3.076 7.681 1.00 30.12 N ATOM 761 CA VAL A 47 6.406 -3.039 6.216 1.00 64.03 C ATOM 762 C VAL A 47 5.257 -3.827 5.574 1.00 62.34 C ATOM 763 O VAL A 47 5.187 -5.054 5.697 1.00 71.45 O ATOM 764 CB VAL A 47 7.754 -3.611 5.712 1.00 21.12 C ATOM 765 CG1 VAL A 47 7.880 -3.454 4.196 1.00 64.53 C ATOM 766 CG2 VAL A 47 8.923 -2.943 6.430 1.00 53.00 C ATOM 0 H VAL A 47 6.501 -3.993 8.089 1.00 30.12 H new ATOM 0 HA VAL A 47 6.334 -1.992 5.923 1.00 64.03 H new ATOM 0 HB VAL A 47 7.780 -4.676 5.941 1.00 21.12 H new ATOM 0 HG11 VAL A 47 8.835 -3.863 3.866 1.00 64.53 H new ATOM 0 HG12 VAL A 47 7.067 -3.990 3.706 1.00 64.53 H new ATOM 0 HG13 VAL A 47 7.828 -2.397 3.934 1.00 64.53 H new ATOM 0 HG21 VAL A 47 9.861 -3.358 6.062 1.00 53.00 H new ATOM 0 HG22 VAL A 47 8.902 -1.870 6.240 1.00 53.00 H new ATOM 0 HG23 VAL A 47 8.842 -3.123 7.502 1.00 53.00 H new ATOM 776 N MET A 48 4.364 -3.117 4.893 1.00 73.03 N ATOM 777 CA MET A 48 3.204 -3.735 4.244 1.00 21.33 C ATOM 778 C MET A 48 3.324 -3.659 2.713 1.00 42.23 C ATOM 779 O MET A 48 3.855 -2.686 2.175 1.00 13.23 O ATOM 780 CB MET A 48 1.924 -3.018 4.693 1.00 52.21 C ATOM 781 CG MET A 48 1.750 -2.954 6.207 1.00 40.41 C ATOM 782 SD MET A 48 1.404 -4.563 6.948 1.00 62.42 S ATOM 783 CE MET A 48 -0.209 -4.927 6.257 1.00 41.15 C ATOM 0 H MET A 48 4.419 -2.106 4.773 1.00 73.03 H new ATOM 0 HA MET A 48 3.165 -4.785 4.535 1.00 21.33 H new ATOM 0 HB2 MET A 48 1.929 -2.003 4.294 1.00 52.21 H new ATOM 0 HB3 MET A 48 1.063 -3.527 4.259 1.00 52.21 H new ATOM 0 HG2 MET A 48 2.655 -2.542 6.654 1.00 40.41 H new ATOM 0 HG3 MET A 48 0.936 -2.269 6.445 1.00 40.41 H new ATOM 0 HE1 MET A 48 -0.683 -5.718 6.837 1.00 41.15 H new ATOM 0 HE2 MET A 48 -0.829 -4.031 6.290 1.00 41.15 H new ATOM 0 HE3 MET A 48 -0.097 -5.253 5.223 1.00 41.15 H new ATOM 793 N GLU A 49 2.826 -4.680 2.018 1.00 23.42 N ATOM 794 CA GLU A 49 2.809 -4.682 0.548 1.00 64.50 C ATOM 795 C GLU A 49 1.370 -4.733 0.016 1.00 44.31 C ATOM 796 O GLU A 49 0.502 -5.380 0.605 1.00 31.31 O ATOM 797 CB GLU A 49 3.611 -5.872 -0.007 1.00 2.44 C ATOM 798 CG GLU A 49 3.685 -5.909 -1.535 1.00 73.42 C ATOM 799 CD GLU A 49 4.570 -7.028 -2.069 1.00 14.13 C ATOM 800 OE1 GLU A 49 5.801 -6.828 -2.166 1.00 70.13 O ATOM 801 OE2 GLU A 49 4.041 -8.106 -2.413 1.00 3.25 O ATOM 0 H GLU A 49 2.428 -5.517 2.444 1.00 23.42 H new ATOM 0 HA GLU A 49 3.274 -3.756 0.211 1.00 64.50 H new ATOM 0 HB2 GLU A 49 4.623 -5.835 0.396 1.00 2.44 H new ATOM 0 HB3 GLU A 49 3.160 -6.799 0.348 1.00 2.44 H new ATOM 0 HG2 GLU A 49 2.679 -6.027 -1.938 1.00 73.42 H new ATOM 0 HG3 GLU A 49 4.063 -4.953 -1.897 1.00 73.42 H new ATOM 808 N VAL A 50 1.122 -4.041 -1.092 1.00 31.53 N ATOM 809 CA VAL A 50 -0.202 -4.038 -1.722 1.00 13.14 C ATOM 810 C VAL A 50 -0.116 -4.317 -3.234 1.00 1.03 C ATOM 811 O VAL A 50 0.627 -3.656 -3.964 1.00 12.12 O ATOM 812 CB VAL A 50 -0.945 -2.697 -1.476 1.00 61.41 C ATOM 813 CG1 VAL A 50 -0.133 -1.511 -1.997 1.00 11.54 C ATOM 814 CG2 VAL A 50 -2.342 -2.727 -2.103 1.00 20.32 C ATOM 0 H VAL A 50 1.818 -3.474 -1.575 1.00 31.53 H new ATOM 0 HA VAL A 50 -0.770 -4.843 -1.256 1.00 13.14 H new ATOM 0 HB VAL A 50 -1.060 -2.570 -0.400 1.00 61.41 H new ATOM 0 HG11 VAL A 50 -0.679 -0.586 -1.810 1.00 11.54 H new ATOM 0 HG12 VAL A 50 0.828 -1.475 -1.484 1.00 11.54 H new ATOM 0 HG13 VAL A 50 0.032 -1.625 -3.068 1.00 11.54 H new ATOM 0 HG21 VAL A 50 -2.844 -1.777 -1.918 1.00 20.32 H new ATOM 0 HG22 VAL A 50 -2.255 -2.889 -3.177 1.00 20.32 H new ATOM 0 HG23 VAL A 50 -2.922 -3.536 -1.660 1.00 20.32 H new ATOM 824 N GLU A 51 -0.862 -5.323 -3.693 1.00 10.12 N ATOM 825 CA GLU A 51 -0.968 -5.622 -5.126 1.00 54.20 C ATOM 826 C GLU A 51 -2.027 -4.727 -5.797 1.00 42.31 C ATOM 827 O GLU A 51 -3.231 -4.947 -5.649 1.00 23.11 O ATOM 828 CB GLU A 51 -1.306 -7.107 -5.343 1.00 63.44 C ATOM 829 CG GLU A 51 -1.555 -7.479 -6.806 1.00 5.32 C ATOM 830 CD GLU A 51 -1.792 -8.968 -7.018 1.00 42.24 C ATOM 831 OE1 GLU A 51 -2.430 -9.608 -6.157 1.00 64.35 O ATOM 832 OE2 GLU A 51 -1.334 -9.510 -8.050 1.00 2.31 O ATOM 0 H GLU A 51 -1.403 -5.946 -3.094 1.00 10.12 H new ATOM 0 HA GLU A 51 -0.003 -5.413 -5.588 1.00 54.20 H new ATOM 0 HB2 GLU A 51 -0.488 -7.716 -4.958 1.00 63.44 H new ATOM 0 HB3 GLU A 51 -2.192 -7.357 -4.759 1.00 63.44 H new ATOM 0 HG2 GLU A 51 -2.419 -6.925 -7.172 1.00 5.32 H new ATOM 0 HG3 GLU A 51 -0.699 -7.166 -7.404 1.00 5.32 H new ATOM 839 N VAL A 52 -1.562 -3.708 -6.514 1.00 30.53 N ATOM 840 CA VAL A 52 -2.442 -2.768 -7.217 1.00 33.25 C ATOM 841 C VAL A 52 -2.432 -3.017 -8.733 1.00 62.52 C ATOM 842 O VAL A 52 -1.430 -2.763 -9.407 1.00 34.11 O ATOM 843 CB VAL A 52 -2.013 -1.308 -6.944 1.00 21.13 C ATOM 844 CG1 VAL A 52 -2.991 -0.323 -7.581 1.00 11.33 C ATOM 845 CG2 VAL A 52 -1.883 -1.064 -5.443 1.00 63.42 C ATOM 0 H VAL A 52 -0.568 -3.507 -6.626 1.00 30.53 H new ATOM 0 HA VAL A 52 -3.451 -2.930 -6.839 1.00 33.25 H new ATOM 0 HB VAL A 52 -1.037 -1.144 -7.401 1.00 21.13 H new ATOM 0 HG11 VAL A 52 -2.667 0.697 -7.374 1.00 11.33 H new ATOM 0 HG12 VAL A 52 -3.019 -0.484 -8.659 1.00 11.33 H new ATOM 0 HG13 VAL A 52 -3.987 -0.478 -7.165 1.00 11.33 H new ATOM 0 HG21 VAL A 52 -1.580 -0.032 -5.267 1.00 63.42 H new ATOM 0 HG22 VAL A 52 -2.843 -1.248 -4.960 1.00 63.42 H new ATOM 0 HG23 VAL A 52 -1.133 -1.738 -5.028 1.00 63.42 H new ATOM 855 N ASP A 53 -3.548 -3.530 -9.258 1.00 20.22 N ATOM 856 CA ASP A 53 -3.688 -3.808 -10.693 1.00 70.42 C ATOM 857 C ASP A 53 -2.622 -4.824 -11.157 1.00 71.34 C ATOM 858 O ASP A 53 -2.225 -4.855 -12.323 1.00 44.44 O ATOM 859 CB ASP A 53 -3.599 -2.493 -11.491 1.00 44.24 C ATOM 860 CG ASP A 53 -4.049 -2.639 -12.936 1.00 55.34 C ATOM 861 OD1 ASP A 53 -5.168 -3.150 -13.168 1.00 70.14 O ATOM 862 OD2 ASP A 53 -3.290 -2.249 -13.847 1.00 41.22 O ATOM 0 H ASP A 53 -4.374 -3.763 -8.707 1.00 20.22 H new ATOM 0 HA ASP A 53 -4.665 -4.254 -10.877 1.00 70.42 H new ATOM 0 HB2 ASP A 53 -4.211 -1.736 -11.001 1.00 44.24 H new ATOM 0 HB3 ASP A 53 -2.570 -2.133 -11.472 1.00 44.24 H new ATOM 867 N GLY A 54 -2.191 -5.681 -10.229 1.00 65.25 N ATOM 868 CA GLY A 54 -1.151 -6.668 -10.523 1.00 51.43 C ATOM 869 C GLY A 54 0.240 -6.247 -10.048 1.00 13.44 C ATOM 870 O GLY A 54 1.106 -7.092 -9.821 1.00 72.01 O ATOM 0 H GLY A 54 -2.544 -5.711 -9.273 1.00 65.25 H new ATOM 0 HA2 GLY A 54 -1.416 -7.615 -10.052 1.00 51.43 H new ATOM 0 HA3 GLY A 54 -1.121 -6.844 -11.598 1.00 51.43 H new ATOM 874 N GLN A 55 0.450 -4.941 -9.884 1.00 25.21 N ATOM 875 CA GLN A 55 1.758 -4.391 -9.492 1.00 3.55 C ATOM 876 C GLN A 55 1.871 -4.237 -7.967 1.00 54.53 C ATOM 877 O GLN A 55 1.027 -3.607 -7.337 1.00 32.25 O ATOM 878 CB GLN A 55 1.956 -3.027 -10.166 1.00 2.44 C ATOM 879 CG GLN A 55 1.841 -3.073 -11.683 1.00 20.52 C ATOM 880 CD GLN A 55 1.752 -1.690 -12.305 1.00 21.22 C ATOM 881 OE1 GLN A 55 2.758 -1.078 -12.642 1.00 54.02 O ATOM 882 NE2 GLN A 55 0.544 -1.187 -12.455 1.00 32.32 N ATOM 0 H GLN A 55 -0.273 -4.234 -10.017 1.00 25.21 H new ATOM 0 HA GLN A 55 2.533 -5.086 -9.816 1.00 3.55 H new ATOM 0 HB2 GLN A 55 1.217 -2.328 -9.775 1.00 2.44 H new ATOM 0 HB3 GLN A 55 2.938 -2.637 -9.896 1.00 2.44 H new ATOM 0 HG2 GLN A 55 2.704 -3.597 -12.093 1.00 20.52 H new ATOM 0 HG3 GLN A 55 0.958 -3.649 -11.959 1.00 20.52 H new ATOM 0 HE21 GLN A 55 -0.272 -1.725 -12.163 1.00 32.32 H new ATOM 0 HE22 GLN A 55 0.425 -0.260 -12.863 1.00 32.32 H new ATOM 891 N LYS A 56 2.927 -4.797 -7.378 1.00 41.42 N ATOM 892 CA LYS A 56 3.103 -4.768 -5.917 1.00 61.14 C ATOM 893 C LYS A 56 3.958 -3.575 -5.460 1.00 60.51 C ATOM 894 O LYS A 56 5.027 -3.309 -6.016 1.00 33.31 O ATOM 895 CB LYS A 56 3.739 -6.074 -5.412 1.00 33.14 C ATOM 896 CG LYS A 56 2.852 -7.312 -5.555 1.00 44.23 C ATOM 897 CD LYS A 56 2.711 -7.767 -7.004 1.00 42.51 C ATOM 898 CE LYS A 56 1.861 -9.026 -7.116 1.00 72.54 C ATOM 899 NZ LYS A 56 1.691 -9.457 -8.526 1.00 34.43 N ATOM 0 H LYS A 56 3.673 -5.275 -7.883 1.00 41.42 H new ATOM 0 HA LYS A 56 2.107 -4.659 -5.487 1.00 61.14 H new ATOM 0 HB2 LYS A 56 4.668 -6.244 -5.956 1.00 33.14 H new ATOM 0 HB3 LYS A 56 4.003 -5.952 -4.361 1.00 33.14 H new ATOM 0 HG2 LYS A 56 3.270 -8.125 -4.962 1.00 44.23 H new ATOM 0 HG3 LYS A 56 1.864 -7.096 -5.148 1.00 44.23 H new ATOM 0 HD2 LYS A 56 2.260 -6.969 -7.594 1.00 42.51 H new ATOM 0 HD3 LYS A 56 3.699 -7.956 -7.425 1.00 42.51 H new ATOM 0 HE2 LYS A 56 2.326 -9.829 -6.545 1.00 72.54 H new ATOM 0 HE3 LYS A 56 0.882 -8.844 -6.672 1.00 72.54 H new ATOM 0 HZ1 LYS A 56 0.783 -9.954 -8.630 1.00 34.43 H new ATOM 0 HZ2 LYS A 56 1.702 -8.623 -9.148 1.00 34.43 H new ATOM 0 HZ3 LYS A 56 2.468 -10.096 -8.790 1.00 34.43 H new ATOM 913 N PHE A 57 3.481 -2.864 -4.434 1.00 71.21 N ATOM 914 CA PHE A 57 4.220 -1.738 -3.839 1.00 24.33 C ATOM 915 C PHE A 57 4.317 -1.895 -2.309 1.00 72.10 C ATOM 916 O PHE A 57 3.360 -2.324 -1.661 1.00 74.11 O ATOM 917 CB PHE A 57 3.536 -0.407 -4.185 1.00 75.45 C ATOM 918 CG PHE A 57 3.501 -0.101 -5.665 1.00 63.32 C ATOM 919 CD1 PHE A 57 2.474 -0.585 -6.466 1.00 62.13 C ATOM 920 CD2 PHE A 57 4.491 0.673 -6.254 1.00 70.22 C ATOM 921 CE1 PHE A 57 2.436 -0.302 -7.819 1.00 11.41 C ATOM 922 CE2 PHE A 57 4.458 0.959 -7.607 1.00 45.35 C ATOM 923 CZ PHE A 57 3.429 0.470 -8.389 1.00 72.43 C ATOM 0 H PHE A 57 2.580 -3.048 -3.993 1.00 71.21 H new ATOM 0 HA PHE A 57 5.228 -1.738 -4.253 1.00 24.33 H new ATOM 0 HB2 PHE A 57 2.515 -0.425 -3.804 1.00 75.45 H new ATOM 0 HB3 PHE A 57 4.055 0.401 -3.669 1.00 75.45 H new ATOM 0 HD1 PHE A 57 1.695 -1.190 -6.026 1.00 62.13 H new ATOM 0 HD2 PHE A 57 5.298 1.057 -5.648 1.00 70.22 H new ATOM 0 HE1 PHE A 57 1.631 -0.684 -8.429 1.00 11.41 H new ATOM 0 HE2 PHE A 57 5.235 1.563 -8.051 1.00 45.35 H new ATOM 0 HZ PHE A 57 3.401 0.692 -9.446 1.00 72.43 H new ATOM 933 N GLN A 58 5.475 -1.550 -1.738 1.00 64.11 N ATOM 934 CA GLN A 58 5.697 -1.683 -0.287 1.00 55.54 C ATOM 935 C GLN A 58 5.843 -0.327 0.419 1.00 75.32 C ATOM 936 O GLN A 58 6.392 0.632 -0.130 1.00 2.44 O ATOM 937 CB GLN A 58 6.941 -2.542 -0.005 1.00 64.04 C ATOM 938 CG GLN A 58 6.751 -4.017 -0.323 1.00 21.25 C ATOM 939 CD GLN A 58 7.967 -4.867 0.016 1.00 34.31 C ATOM 940 OE1 GLN A 58 8.736 -4.551 0.919 1.00 63.53 O ATOM 941 NE2 GLN A 58 8.134 -5.968 -0.688 1.00 53.41 N ATOM 0 H GLN A 58 6.273 -1.177 -2.252 1.00 64.11 H new ATOM 0 HA GLN A 58 4.809 -2.171 0.115 1.00 55.54 H new ATOM 0 HB2 GLN A 58 7.777 -2.158 -0.590 1.00 64.04 H new ATOM 0 HB3 GLN A 58 7.213 -2.438 1.045 1.00 64.04 H new ATOM 0 HG2 GLN A 58 5.889 -4.392 0.228 1.00 21.25 H new ATOM 0 HG3 GLN A 58 6.524 -4.127 -1.383 1.00 21.25 H new ATOM 0 HE21 GLN A 58 7.477 -6.202 -1.432 1.00 53.41 H new ATOM 0 HE22 GLN A 58 8.920 -6.586 -0.489 1.00 53.41 H new ATOM 950 N GLY A 59 5.357 -0.272 1.656 1.00 2.53 N ATOM 951 CA GLY A 59 5.466 0.936 2.470 1.00 12.14 C ATOM 952 C GLY A 59 5.750 0.627 3.938 1.00 2.03 C ATOM 953 O GLY A 59 5.171 -0.305 4.505 1.00 52.03 O ATOM 0 H GLY A 59 4.884 -1.049 2.117 1.00 2.53 H new ATOM 0 HA2 GLY A 59 6.262 1.567 2.074 1.00 12.14 H new ATOM 0 HA3 GLY A 59 4.540 1.506 2.394 1.00 12.14 H new ATOM 957 N ALA A 60 6.639 1.407 4.555 1.00 14.12 N ATOM 958 CA ALA A 60 7.029 1.186 5.954 1.00 43.14 C ATOM 959 C ALA A 60 6.635 2.366 6.856 1.00 45.22 C ATOM 960 O ALA A 60 6.901 3.528 6.533 1.00 5.24 O ATOM 961 CB ALA A 60 8.531 0.931 6.043 1.00 22.40 C ATOM 0 H ALA A 60 7.104 2.198 4.110 1.00 14.12 H new ATOM 0 HA ALA A 60 6.489 0.309 6.312 1.00 43.14 H new ATOM 0 HB1 ALA A 60 8.811 0.768 7.084 1.00 22.40 H new ATOM 0 HB2 ALA A 60 8.786 0.048 5.456 1.00 22.40 H new ATOM 0 HB3 ALA A 60 9.070 1.794 5.653 1.00 22.40 H new ATOM 967 N GLY A 61 6.004 2.055 7.988 1.00 55.23 N ATOM 968 CA GLY A 61 5.600 3.085 8.946 1.00 40.52 C ATOM 969 C GLY A 61 5.620 2.598 10.394 1.00 21.13 C ATOM 970 O GLY A 61 5.837 1.412 10.654 1.00 5.45 O ATOM 0 H GLY A 61 5.762 1.103 8.264 1.00 55.23 H new ATOM 0 HA2 GLY A 61 6.264 3.944 8.849 1.00 40.52 H new ATOM 0 HA3 GLY A 61 4.596 3.429 8.699 1.00 40.52 H new ATOM 974 N SER A 62 5.380 3.515 11.338 1.00 32.43 N ATOM 975 CA SER A 62 5.401 3.185 12.780 1.00 0.12 C ATOM 976 C SER A 62 4.282 2.211 13.175 1.00 3.23 C ATOM 977 O SER A 62 4.344 1.571 14.226 1.00 35.44 O ATOM 978 CB SER A 62 5.287 4.456 13.633 1.00 41.40 C ATOM 979 OG SER A 62 5.285 4.149 15.022 1.00 31.43 O ATOM 0 H SER A 62 5.169 4.492 11.136 1.00 32.43 H new ATOM 0 HA SER A 62 6.357 2.697 12.969 1.00 0.12 H new ATOM 0 HB2 SER A 62 6.119 5.124 13.407 1.00 41.40 H new ATOM 0 HB3 SER A 62 4.372 4.989 13.375 1.00 41.40 H new ATOM 0 HG SER A 62 5.213 4.978 15.540 1.00 31.43 H new ATOM 985 N ASN A 63 3.249 2.122 12.344 1.00 62.55 N ATOM 986 CA ASN A 63 2.139 1.188 12.567 1.00 4.54 C ATOM 987 C ASN A 63 1.580 0.683 11.231 1.00 33.13 C ATOM 988 O ASN A 63 1.801 1.302 10.188 1.00 3.24 O ATOM 989 CB ASN A 63 1.030 1.847 13.400 1.00 20.34 C ATOM 990 CG ASN A 63 0.534 3.145 12.792 1.00 32.35 C ATOM 991 OD1 ASN A 63 -0.335 3.147 11.927 1.00 23.22 O ATOM 992 ND2 ASN A 63 1.067 4.259 13.252 1.00 15.30 N ATOM 0 H ASN A 63 3.153 2.689 11.501 1.00 62.55 H new ATOM 0 HA ASN A 63 2.522 0.334 13.125 1.00 4.54 H new ATOM 0 HB2 ASN A 63 0.194 1.154 13.498 1.00 20.34 H new ATOM 0 HB3 ASN A 63 1.403 2.041 14.406 1.00 20.34 H new ATOM 0 HD21 ASN A 63 0.758 5.160 12.888 1.00 15.30 H new ATOM 0 HD22 ASN A 63 1.788 4.220 13.972 1.00 15.30 H new ATOM 999 N LYS A 64 0.849 -0.434 11.266 1.00 60.12 N ATOM 1000 CA LYS A 64 0.324 -1.065 10.044 1.00 23.32 C ATOM 1001 C LYS A 64 -0.540 -0.104 9.211 1.00 44.10 C ATOM 1002 O LYS A 64 -0.536 -0.169 7.983 1.00 62.22 O ATOM 1003 CB LYS A 64 -0.482 -2.327 10.389 1.00 3.52 C ATOM 1004 CG LYS A 64 0.344 -3.413 11.073 1.00 35.14 C ATOM 1005 CD LYS A 64 -0.472 -4.678 11.340 1.00 32.32 C ATOM 1006 CE LYS A 64 -0.966 -5.329 10.051 1.00 34.14 C ATOM 1007 NZ LYS A 64 -1.642 -6.629 10.310 1.00 4.33 N ATOM 0 H LYS A 64 0.605 -0.924 12.127 1.00 60.12 H new ATOM 0 HA LYS A 64 1.187 -1.340 9.438 1.00 23.32 H new ATOM 0 HB2 LYS A 64 -1.313 -2.051 11.039 1.00 3.52 H new ATOM 0 HB3 LYS A 64 -0.914 -2.733 9.474 1.00 3.52 H new ATOM 0 HG2 LYS A 64 1.202 -3.661 10.449 1.00 35.14 H new ATOM 0 HG3 LYS A 64 0.736 -3.030 12.015 1.00 35.14 H new ATOM 0 HD2 LYS A 64 0.138 -5.391 11.895 1.00 32.32 H new ATOM 0 HD3 LYS A 64 -1.326 -4.431 11.971 1.00 32.32 H new ATOM 0 HE2 LYS A 64 -1.657 -4.655 9.545 1.00 34.14 H new ATOM 0 HE3 LYS A 64 -0.124 -5.486 9.377 1.00 34.14 H new ATOM 0 HZ1 LYS A 64 -1.963 -7.039 9.410 1.00 4.33 H new ATOM 0 HZ2 LYS A 64 -0.975 -7.282 10.769 1.00 4.33 H new ATOM 0 HZ3 LYS A 64 -2.461 -6.476 10.932 1.00 4.33 H new ATOM 1021 N LYS A 65 -1.273 0.783 9.876 1.00 63.12 N ATOM 1022 CA LYS A 65 -2.125 1.758 9.181 1.00 24.35 C ATOM 1023 C LYS A 65 -1.287 2.731 8.332 1.00 5.55 C ATOM 1024 O LYS A 65 -1.511 2.874 7.130 1.00 31.33 O ATOM 1025 CB LYS A 65 -2.976 2.535 10.195 1.00 73.14 C ATOM 1026 CG LYS A 65 -3.887 1.646 11.043 1.00 22.41 C ATOM 1027 CD LYS A 65 -4.901 0.885 10.188 1.00 45.30 C ATOM 1028 CE LYS A 65 -5.862 1.827 9.471 1.00 44.21 C ATOM 1029 NZ LYS A 65 -6.645 2.658 10.425 1.00 34.51 N ATOM 0 H LYS A 65 -1.298 0.852 10.893 1.00 63.12 H new ATOM 0 HA LYS A 65 -2.784 1.209 8.508 1.00 24.35 H new ATOM 0 HB2 LYS A 65 -2.315 3.097 10.855 1.00 73.14 H new ATOM 0 HB3 LYS A 65 -3.588 3.262 9.661 1.00 73.14 H new ATOM 0 HG2 LYS A 65 -3.280 0.935 11.604 1.00 22.41 H new ATOM 0 HG3 LYS A 65 -4.416 2.260 11.772 1.00 22.41 H new ATOM 0 HD2 LYS A 65 -4.373 0.277 9.453 1.00 45.30 H new ATOM 0 HD3 LYS A 65 -5.467 0.201 10.820 1.00 45.30 H new ATOM 0 HE2 LYS A 65 -5.300 2.477 8.801 1.00 44.21 H new ATOM 0 HE3 LYS A 65 -6.545 1.245 8.852 1.00 44.21 H new ATOM 0 HZ1 LYS A 65 -7.430 3.117 9.922 1.00 34.51 H new ATOM 0 HZ2 LYS A 65 -7.025 2.053 11.181 1.00 34.51 H new ATOM 0 HZ3 LYS A 65 -6.028 3.385 10.840 1.00 34.51 H new ATOM 1043 N VAL A 66 -0.315 3.387 8.969 1.00 54.21 N ATOM 1044 CA VAL A 66 0.594 4.306 8.266 1.00 14.43 C ATOM 1045 C VAL A 66 1.469 3.559 7.242 1.00 3.14 C ATOM 1046 O VAL A 66 1.801 4.094 6.183 1.00 61.14 O ATOM 1047 CB VAL A 66 1.496 5.074 9.270 1.00 4.10 C ATOM 1048 CG1 VAL A 66 2.500 5.967 8.544 1.00 12.32 C ATOM 1049 CG2 VAL A 66 0.642 5.900 10.229 1.00 24.30 C ATOM 0 H VAL A 66 -0.134 3.302 9.969 1.00 54.21 H new ATOM 0 HA VAL A 66 -0.026 5.024 7.730 1.00 14.43 H new ATOM 0 HB VAL A 66 2.058 4.339 9.845 1.00 4.10 H new ATOM 0 HG11 VAL A 66 3.116 6.491 9.275 1.00 12.32 H new ATOM 0 HG12 VAL A 66 3.136 5.355 7.905 1.00 12.32 H new ATOM 0 HG13 VAL A 66 1.965 6.694 7.933 1.00 12.32 H new ATOM 0 HG21 VAL A 66 1.289 6.432 10.926 1.00 24.30 H new ATOM 0 HG22 VAL A 66 0.050 6.619 9.662 1.00 24.30 H new ATOM 0 HG23 VAL A 66 -0.024 5.239 10.784 1.00 24.30 H new ATOM 1059 N ALA A 67 1.825 2.317 7.559 1.00 3.11 N ATOM 1060 CA ALA A 67 2.588 1.469 6.637 1.00 24.54 C ATOM 1061 C ALA A 67 1.791 1.187 5.354 1.00 34.31 C ATOM 1062 O ALA A 67 2.296 1.357 4.243 1.00 33.23 O ATOM 1063 CB ALA A 67 2.973 0.168 7.323 1.00 24.14 C ATOM 0 H ALA A 67 1.599 1.871 8.448 1.00 3.11 H new ATOM 0 HA ALA A 67 3.496 2.002 6.354 1.00 24.54 H new ATOM 0 HB1 ALA A 67 3.539 -0.455 6.630 1.00 24.14 H new ATOM 0 HB2 ALA A 67 3.585 0.386 8.199 1.00 24.14 H new ATOM 0 HB3 ALA A 67 2.071 -0.361 7.633 1.00 24.14 H new ATOM 1069 N LYS A 68 0.538 0.756 5.520 1.00 60.33 N ATOM 1070 CA LYS A 68 -0.374 0.557 4.386 1.00 11.13 C ATOM 1071 C LYS A 68 -0.626 1.877 3.643 1.00 62.23 C ATOM 1072 O LYS A 68 -0.852 1.888 2.433 1.00 54.34 O ATOM 1073 CB LYS A 68 -1.707 -0.028 4.874 1.00 24.13 C ATOM 1074 CG LYS A 68 -1.610 -1.468 5.368 1.00 30.25 C ATOM 1075 CD LYS A 68 -2.903 -1.935 6.037 1.00 54.30 C ATOM 1076 CE LYS A 68 -4.106 -1.861 5.097 1.00 10.23 C ATOM 1077 NZ LYS A 68 -5.350 -2.357 5.744 1.00 71.12 N ATOM 0 H LYS A 68 0.130 0.537 6.429 1.00 60.33 H new ATOM 0 HA LYS A 68 0.095 -0.143 3.695 1.00 11.13 H new ATOM 0 HB2 LYS A 68 -2.092 0.596 5.680 1.00 24.13 H new ATOM 0 HB3 LYS A 68 -2.431 0.018 4.061 1.00 24.13 H new ATOM 0 HG2 LYS A 68 -1.379 -2.124 4.529 1.00 30.25 H new ATOM 0 HG3 LYS A 68 -0.785 -1.553 6.075 1.00 30.25 H new ATOM 0 HD2 LYS A 68 -2.779 -2.961 6.384 1.00 54.30 H new ATOM 0 HD3 LYS A 68 -3.095 -1.322 6.917 1.00 54.30 H new ATOM 0 HE2 LYS A 68 -4.251 -0.830 4.775 1.00 10.23 H new ATOM 0 HE3 LYS A 68 -3.903 -2.449 4.202 1.00 10.23 H new ATOM 0 HZ1 LYS A 68 -6.141 -2.289 5.072 1.00 71.12 H new ATOM 0 HZ2 LYS A 68 -5.221 -3.349 6.029 1.00 71.12 H new ATOM 0 HZ3 LYS A 68 -5.558 -1.780 6.584 1.00 71.12 H new ATOM 1091 N ALA A 69 -0.590 2.982 4.385 1.00 74.41 N ATOM 1092 CA ALA A 69 -0.736 4.317 3.802 1.00 33.33 C ATOM 1093 C ALA A 69 0.401 4.627 2.817 1.00 11.54 C ATOM 1094 O ALA A 69 0.153 5.029 1.681 1.00 24.24 O ATOM 1095 CB ALA A 69 -0.790 5.372 4.904 1.00 74.41 C ATOM 0 H ALA A 69 -0.460 2.980 5.397 1.00 74.41 H new ATOM 0 HA ALA A 69 -1.673 4.339 3.245 1.00 33.33 H new ATOM 0 HB1 ALA A 69 -0.899 6.360 4.457 1.00 74.41 H new ATOM 0 HB2 ALA A 69 -1.640 5.173 5.556 1.00 74.41 H new ATOM 0 HB3 ALA A 69 0.130 5.337 5.487 1.00 74.41 H new ATOM 1101 N TYR A 70 1.649 4.435 3.254 1.00 4.43 N ATOM 1102 CA TYR A 70 2.810 4.638 2.377 1.00 14.23 C ATOM 1103 C TYR A 70 2.835 3.622 1.226 1.00 74.34 C ATOM 1104 O TYR A 70 3.221 3.956 0.106 1.00 22.15 O ATOM 1105 CB TYR A 70 4.124 4.581 3.171 1.00 50.55 C ATOM 1106 CG TYR A 70 4.382 5.830 4.000 1.00 72.02 C ATOM 1107 CD1 TYR A 70 4.550 7.068 3.384 1.00 55.34 C ATOM 1108 CD2 TYR A 70 4.451 5.778 5.389 1.00 62.31 C ATOM 1109 CE1 TYR A 70 4.776 8.210 4.124 1.00 4.12 C ATOM 1110 CE2 TYR A 70 4.673 6.923 6.135 1.00 41.34 C ATOM 1111 CZ TYR A 70 4.837 8.134 5.498 1.00 12.23 C ATOM 1112 OH TYR A 70 5.045 9.279 6.238 1.00 21.41 O ATOM 0 H TYR A 70 1.882 4.141 4.203 1.00 4.43 H new ATOM 0 HA TYR A 70 2.713 5.634 1.944 1.00 14.23 H new ATOM 0 HB2 TYR A 70 4.104 3.713 3.831 1.00 50.55 H new ATOM 0 HB3 TYR A 70 4.953 4.436 2.478 1.00 50.55 H new ATOM 0 HD1 TYR A 70 4.502 7.135 2.307 1.00 55.34 H new ATOM 0 HD2 TYR A 70 4.330 4.830 5.893 1.00 62.31 H new ATOM 0 HE1 TYR A 70 4.905 9.161 3.628 1.00 4.12 H new ATOM 0 HE2 TYR A 70 4.718 6.867 7.213 1.00 41.34 H new ATOM 0 HH TYR A 70 4.249 9.848 6.190 1.00 21.41 H new ATOM 1122 N ALA A 71 2.415 2.386 1.501 1.00 12.05 N ATOM 1123 CA ALA A 71 2.306 1.360 0.456 1.00 22.10 C ATOM 1124 C ALA A 71 1.319 1.793 -0.640 1.00 5.43 C ATOM 1125 O ALA A 71 1.632 1.757 -1.832 1.00 13.35 O ATOM 1126 CB ALA A 71 1.877 0.028 1.064 1.00 4.15 C ATOM 0 H ALA A 71 2.145 2.070 2.433 1.00 12.05 H new ATOM 0 HA ALA A 71 3.287 1.236 -0.003 1.00 22.10 H new ATOM 0 HB1 ALA A 71 1.800 -0.723 0.278 1.00 4.15 H new ATOM 0 HB2 ALA A 71 2.615 -0.291 1.800 1.00 4.15 H new ATOM 0 HB3 ALA A 71 0.908 0.145 1.550 1.00 4.15 H new ATOM 1132 N ALA A 72 0.126 2.214 -0.219 1.00 61.10 N ATOM 1133 CA ALA A 72 -0.881 2.748 -1.136 1.00 22.42 C ATOM 1134 C ALA A 72 -0.364 3.990 -1.884 1.00 15.54 C ATOM 1135 O ALA A 72 -0.516 4.097 -3.099 1.00 0.04 O ATOM 1136 CB ALA A 72 -2.159 3.078 -0.374 1.00 63.33 C ATOM 0 H ALA A 72 -0.168 2.195 0.758 1.00 61.10 H new ATOM 0 HA ALA A 72 -1.097 1.982 -1.881 1.00 22.42 H new ATOM 0 HB1 ALA A 72 -2.903 3.475 -1.065 1.00 63.33 H new ATOM 0 HB2 ALA A 72 -2.546 2.174 0.096 1.00 63.33 H new ATOM 0 HB3 ALA A 72 -1.943 3.822 0.393 1.00 63.33 H new ATOM 1142 N LEU A 73 0.254 4.923 -1.150 1.00 73.10 N ATOM 1143 CA LEU A 73 0.833 6.134 -1.755 1.00 23.34 C ATOM 1144 C LEU A 73 1.884 5.795 -2.821 1.00 2.41 C ATOM 1145 O LEU A 73 1.948 6.444 -3.868 1.00 73.52 O ATOM 1146 CB LEU A 73 1.459 7.035 -0.677 1.00 11.34 C ATOM 1147 CG LEU A 73 0.464 7.851 0.161 1.00 42.01 C ATOM 1148 CD1 LEU A 73 1.188 8.631 1.255 1.00 75.02 C ATOM 1149 CD2 LEU A 73 -0.347 8.792 -0.732 1.00 13.12 C ATOM 0 H LEU A 73 0.367 4.865 -0.138 1.00 73.10 H new ATOM 0 HA LEU A 73 0.017 6.668 -2.242 1.00 23.34 H new ATOM 0 HB2 LEU A 73 2.048 6.412 -0.004 1.00 11.34 H new ATOM 0 HB3 LEU A 73 2.151 7.724 -1.161 1.00 11.34 H new ATOM 0 HG LEU A 73 -0.226 7.158 0.642 1.00 42.01 H new ATOM 0 HD11 LEU A 73 0.463 9.201 1.836 1.00 75.02 H new ATOM 0 HD12 LEU A 73 1.712 7.936 1.911 1.00 75.02 H new ATOM 0 HD13 LEU A 73 1.906 9.313 0.801 1.00 75.02 H new ATOM 0 HD21 LEU A 73 -1.046 9.362 -0.120 1.00 13.12 H new ATOM 0 HD22 LEU A 73 0.327 9.477 -1.246 1.00 13.12 H new ATOM 0 HD23 LEU A 73 -0.901 8.208 -1.468 1.00 13.12 H new ATOM 1161 N ALA A 74 2.706 4.782 -2.549 1.00 73.32 N ATOM 1162 CA ALA A 74 3.715 4.321 -3.508 1.00 3.51 C ATOM 1163 C ALA A 74 3.069 3.935 -4.848 1.00 23.22 C ATOM 1164 O ALA A 74 3.627 4.186 -5.918 1.00 35.03 O ATOM 1165 CB ALA A 74 4.496 3.145 -2.930 1.00 42.12 C ATOM 0 H ALA A 74 2.694 4.263 -1.671 1.00 73.32 H new ATOM 0 HA ALA A 74 4.407 5.142 -3.695 1.00 3.51 H new ATOM 0 HB1 ALA A 74 5.242 2.813 -3.653 1.00 42.12 H new ATOM 0 HB2 ALA A 74 4.994 3.455 -2.011 1.00 42.12 H new ATOM 0 HB3 ALA A 74 3.811 2.325 -2.712 1.00 42.12 H new ATOM 1171 N ALA A 75 1.884 3.333 -4.773 1.00 55.14 N ATOM 1172 CA ALA A 75 1.119 2.961 -5.965 1.00 43.24 C ATOM 1173 C ALA A 75 0.394 4.169 -6.578 1.00 14.20 C ATOM 1174 O ALA A 75 0.398 4.358 -7.794 1.00 71.01 O ATOM 1175 CB ALA A 75 0.112 1.873 -5.615 1.00 60.11 C ATOM 0 H ALA A 75 1.429 3.090 -3.893 1.00 55.14 H new ATOM 0 HA ALA A 75 1.823 2.585 -6.708 1.00 43.24 H new ATOM 0 HB1 ALA A 75 -0.454 1.601 -6.506 1.00 60.11 H new ATOM 0 HB2 ALA A 75 0.639 0.997 -5.238 1.00 60.11 H new ATOM 0 HB3 ALA A 75 -0.571 2.242 -4.850 1.00 60.11 H new ATOM 1181 N LEU A 76 -0.223 4.986 -5.726 1.00 51.15 N ATOM 1182 CA LEU A 76 -1.003 6.146 -6.175 1.00 3.24 C ATOM 1183 C LEU A 76 -0.144 7.170 -6.931 1.00 2.24 C ATOM 1184 O LEU A 76 -0.411 7.473 -8.087 1.00 55.31 O ATOM 1185 CB LEU A 76 -1.686 6.813 -4.974 1.00 4.10 C ATOM 1186 CG LEU A 76 -2.799 5.983 -4.318 1.00 75.12 C ATOM 1187 CD1 LEU A 76 -3.293 6.654 -3.042 1.00 11.01 C ATOM 1188 CD2 LEU A 76 -3.953 5.770 -5.296 1.00 20.14 C ATOM 0 H LEU A 76 -0.199 4.867 -4.713 1.00 51.15 H new ATOM 0 HA LEU A 76 -1.758 5.782 -6.872 1.00 3.24 H new ATOM 0 HB2 LEU A 76 -0.929 7.037 -4.222 1.00 4.10 H new ATOM 0 HB3 LEU A 76 -2.106 7.766 -5.297 1.00 4.10 H new ATOM 0 HG LEU A 76 -2.388 5.009 -4.052 1.00 75.12 H new ATOM 0 HD11 LEU A 76 -4.081 6.049 -2.594 1.00 11.01 H new ATOM 0 HD12 LEU A 76 -2.466 6.751 -2.338 1.00 11.01 H new ATOM 0 HD13 LEU A 76 -3.686 7.643 -3.279 1.00 11.01 H new ATOM 0 HD21 LEU A 76 -4.733 5.180 -4.815 1.00 20.14 H new ATOM 0 HD22 LEU A 76 -4.360 6.736 -5.594 1.00 20.14 H new ATOM 0 HD23 LEU A 76 -3.590 5.242 -6.178 1.00 20.14 H new ATOM 1200 N GLU A 77 0.896 7.684 -6.283 1.00 72.52 N ATOM 1201 CA GLU A 77 1.745 8.723 -6.886 1.00 55.31 C ATOM 1202 C GLU A 77 2.522 8.201 -8.118 1.00 30.12 C ATOM 1203 O GLU A 77 3.091 8.984 -8.881 1.00 21.31 O ATOM 1204 CB GLU A 77 2.726 9.281 -5.840 1.00 41.30 C ATOM 1205 CG GLU A 77 2.058 9.819 -4.570 1.00 64.30 C ATOM 1206 CD GLU A 77 1.077 10.960 -4.827 1.00 20.11 C ATOM 1207 OE1 GLU A 77 1.486 11.993 -5.399 1.00 13.34 O ATOM 1208 OE2 GLU A 77 -0.099 10.852 -4.418 1.00 75.22 O ATOM 0 H GLU A 77 1.176 7.404 -5.343 1.00 72.52 H new ATOM 0 HA GLU A 77 1.086 9.521 -7.230 1.00 55.31 H new ATOM 0 HB2 GLU A 77 3.428 8.495 -5.562 1.00 41.30 H new ATOM 0 HB3 GLU A 77 3.309 10.081 -6.296 1.00 41.30 H new ATOM 0 HG2 GLU A 77 1.531 9.004 -4.074 1.00 64.30 H new ATOM 0 HG3 GLU A 77 2.830 10.164 -3.882 1.00 64.30 H new ATOM 1215 N LYS A 78 2.551 6.877 -8.300 1.00 30.11 N ATOM 1216 CA LYS A 78 3.260 6.258 -9.436 1.00 21.42 C ATOM 1217 C LYS A 78 2.296 5.975 -10.604 1.00 53.44 C ATOM 1218 O LYS A 78 2.534 6.391 -11.738 1.00 3.11 O ATOM 1219 CB LYS A 78 3.945 4.953 -8.971 1.00 74.11 C ATOM 1220 CG LYS A 78 5.005 4.384 -9.929 1.00 32.51 C ATOM 1221 CD LYS A 78 4.399 3.688 -11.150 1.00 44.43 C ATOM 1222 CE LYS A 78 5.467 3.053 -12.040 1.00 21.32 C ATOM 1223 NZ LYS A 78 6.413 4.060 -12.593 1.00 25.52 N ATOM 0 H LYS A 78 2.094 6.210 -7.679 1.00 30.11 H new ATOM 0 HA LYS A 78 4.019 6.954 -9.794 1.00 21.42 H new ATOM 0 HB2 LYS A 78 4.414 5.134 -8.004 1.00 74.11 H new ATOM 0 HB3 LYS A 78 3.177 4.195 -8.816 1.00 74.11 H new ATOM 0 HG2 LYS A 78 5.654 5.193 -10.264 1.00 32.51 H new ATOM 0 HG3 LYS A 78 5.632 3.675 -9.388 1.00 32.51 H new ATOM 0 HD2 LYS A 78 3.700 2.920 -10.819 1.00 44.43 H new ATOM 0 HD3 LYS A 78 3.826 4.411 -11.731 1.00 44.43 H new ATOM 0 HE2 LYS A 78 6.023 2.313 -11.465 1.00 21.32 H new ATOM 0 HE3 LYS A 78 4.984 2.522 -12.861 1.00 21.32 H new ATOM 0 HZ1 LYS A 78 7.033 3.606 -13.294 1.00 25.52 H new ATOM 0 HZ2 LYS A 78 5.877 4.826 -13.049 1.00 25.52 H new ATOM 0 HZ3 LYS A 78 6.991 4.453 -11.823 1.00 25.52 H new ATOM 1237 N LEU A 79 1.210 5.261 -10.316 1.00 62.00 N ATOM 1238 CA LEU A 79 0.234 4.872 -11.343 1.00 2.45 C ATOM 1239 C LEU A 79 -0.753 6.009 -11.643 1.00 41.24 C ATOM 1240 O LEU A 79 -1.303 6.097 -12.743 1.00 52.44 O ATOM 1241 CB LEU A 79 -0.530 3.621 -10.890 1.00 14.01 C ATOM 1242 CG LEU A 79 0.346 2.404 -10.545 1.00 52.23 C ATOM 1243 CD1 LEU A 79 -0.515 1.221 -10.107 1.00 63.34 C ATOM 1244 CD2 LEU A 79 1.228 2.018 -11.729 1.00 33.52 C ATOM 0 H LEU A 79 0.979 4.937 -9.377 1.00 62.00 H new ATOM 0 HA LEU A 79 0.781 4.654 -12.260 1.00 2.45 H new ATOM 0 HB2 LEU A 79 -1.128 3.877 -10.015 1.00 14.01 H new ATOM 0 HB3 LEU A 79 -1.226 3.335 -11.679 1.00 14.01 H new ATOM 0 HG LEU A 79 0.994 2.680 -9.713 1.00 52.23 H new ATOM 0 HD11 LEU A 79 0.127 0.373 -9.868 1.00 63.34 H new ATOM 0 HD12 LEU A 79 -1.093 1.498 -9.225 1.00 63.34 H new ATOM 0 HD13 LEU A 79 -1.194 0.947 -10.914 1.00 63.34 H new ATOM 0 HD21 LEU A 79 1.838 1.155 -11.462 1.00 33.52 H new ATOM 0 HD22 LEU A 79 0.600 1.767 -12.584 1.00 33.52 H new ATOM 0 HD23 LEU A 79 1.876 2.855 -11.988 1.00 33.52 H new ATOM 1256 N PHE A 80 -0.973 6.874 -10.657 1.00 30.21 N ATOM 1257 CA PHE A 80 -1.872 8.029 -10.803 1.00 24.32 C ATOM 1258 C PHE A 80 -1.173 9.315 -10.317 1.00 22.34 C ATOM 1259 O PHE A 80 -1.564 9.903 -9.303 1.00 71.12 O ATOM 1260 CB PHE A 80 -3.169 7.794 -10.004 1.00 32.21 C ATOM 1261 CG PHE A 80 -3.810 6.449 -10.266 1.00 52.42 C ATOM 1262 CD1 PHE A 80 -4.545 6.227 -11.424 1.00 32.22 C ATOM 1263 CD2 PHE A 80 -3.666 5.403 -9.360 1.00 41.41 C ATOM 1264 CE1 PHE A 80 -5.121 4.994 -11.671 1.00 13.11 C ATOM 1265 CE2 PHE A 80 -4.244 4.170 -9.604 1.00 54.32 C ATOM 1266 CZ PHE A 80 -4.971 3.966 -10.761 1.00 30.13 C ATOM 0 H PHE A 80 -0.539 6.801 -9.737 1.00 30.21 H new ATOM 0 HA PHE A 80 -2.124 8.146 -11.857 1.00 24.32 H new ATOM 0 HB2 PHE A 80 -2.950 7.881 -8.940 1.00 32.21 H new ATOM 0 HB3 PHE A 80 -3.883 8.581 -10.248 1.00 32.21 H new ATOM 0 HD1 PHE A 80 -4.668 7.027 -12.140 1.00 32.22 H new ATOM 0 HD2 PHE A 80 -3.096 5.555 -8.455 1.00 41.41 H new ATOM 0 HE1 PHE A 80 -5.688 4.835 -12.576 1.00 13.11 H new ATOM 0 HE2 PHE A 80 -4.127 3.368 -8.891 1.00 54.32 H new ATOM 0 HZ PHE A 80 -5.422 3.004 -10.954 1.00 30.13 H new ATOM 1276 N PRO A 81 -0.118 9.763 -11.035 1.00 4.43 N ATOM 1277 CA PRO A 81 0.723 10.901 -10.606 1.00 51.01 C ATOM 1278 C PRO A 81 -0.068 12.186 -10.304 1.00 73.13 C ATOM 1279 O PRO A 81 0.274 12.924 -9.378 1.00 23.03 O ATOM 1280 CB PRO A 81 1.654 11.125 -11.806 1.00 62.43 C ATOM 1281 CG PRO A 81 1.704 9.806 -12.499 1.00 51.20 C ATOM 1282 CD PRO A 81 0.341 9.196 -12.321 1.00 60.44 C ATOM 0 HA PRO A 81 1.233 10.675 -9.669 1.00 51.01 H new ATOM 0 HB2 PRO A 81 1.270 11.904 -12.465 1.00 62.43 H new ATOM 0 HB3 PRO A 81 2.646 11.441 -11.484 1.00 62.43 H new ATOM 0 HG2 PRO A 81 1.942 9.929 -13.556 1.00 51.20 H new ATOM 0 HG3 PRO A 81 2.477 9.168 -12.070 1.00 51.20 H new ATOM 0 HD2 PRO A 81 -0.328 9.461 -13.139 1.00 60.44 H new ATOM 0 HD3 PRO A 81 0.388 8.108 -12.287 1.00 60.44 H new ATOM 1290 N ASP A 82 -1.100 12.448 -11.114 1.00 41.51 N ATOM 1291 CA ASP A 82 -1.929 13.662 -11.002 1.00 50.42 C ATOM 1292 C ASP A 82 -1.179 14.892 -11.547 1.00 14.44 C ATOM 1293 O ASP A 82 -1.722 15.677 -12.330 1.00 5.14 O ATOM 1294 CB ASP A 82 -2.393 13.888 -9.551 1.00 44.50 C ATOM 1295 CG ASP A 82 -3.396 15.023 -9.424 1.00 34.41 C ATOM 1296 OD1 ASP A 82 -4.578 14.820 -9.778 1.00 21.24 O ATOM 1297 OD2 ASP A 82 -3.013 16.120 -8.970 1.00 74.01 O ATOM 0 H ASP A 82 -1.388 11.825 -11.869 1.00 41.51 H new ATOM 0 HA ASP A 82 -2.820 13.517 -11.613 1.00 50.42 H new ATOM 0 HB2 ASP A 82 -2.840 12.970 -9.170 1.00 44.50 H new ATOM 0 HB3 ASP A 82 -1.526 14.104 -8.926 1.00 44.50 H new ATOM 1302 N THR A 83 0.068 15.049 -11.123 1.00 63.13 N ATOM 1303 CA THR A 83 0.965 16.074 -11.673 1.00 63.42 C ATOM 1304 C THR A 83 1.686 15.553 -12.930 1.00 61.31 C ATOM 1305 O THR A 83 2.482 14.613 -12.846 1.00 4.02 O ATOM 1306 CB THR A 83 2.030 16.519 -10.636 1.00 3.42 C ATOM 1307 OG1 THR A 83 2.831 15.396 -10.224 1.00 61.42 O ATOM 1308 CG2 THR A 83 1.376 17.156 -9.414 1.00 21.22 C ATOM 0 H THR A 83 0.491 14.476 -10.392 1.00 63.13 H new ATOM 0 HA THR A 83 0.343 16.931 -11.932 1.00 63.42 H new ATOM 0 HB THR A 83 2.669 17.261 -11.115 1.00 3.42 H new ATOM 0 HG1 THR A 83 2.930 14.772 -10.973 1.00 61.42 H new ATOM 0 HG21 THR A 83 2.147 17.458 -8.705 1.00 21.22 H new ATOM 0 HG22 THR A 83 0.804 18.031 -9.722 1.00 21.22 H new ATOM 0 HG23 THR A 83 0.710 16.435 -8.941 1.00 21.22 H new ATOM 1316 N PRO A 84 1.416 16.149 -14.113 1.00 24.30 N ATOM 1317 CA PRO A 84 2.043 15.725 -15.384 1.00 52.13 C ATOM 1318 C PRO A 84 3.583 15.683 -15.319 1.00 21.23 C ATOM 1319 O PRO A 84 4.229 16.665 -14.936 1.00 12.13 O ATOM 1320 CB PRO A 84 1.575 16.793 -16.381 1.00 65.13 C ATOM 1321 CG PRO A 84 0.301 17.316 -15.807 1.00 25.34 C ATOM 1322 CD PRO A 84 0.478 17.274 -14.312 1.00 35.51 C ATOM 0 HA PRO A 84 1.756 14.708 -15.652 1.00 52.13 H new ATOM 0 HB2 PRO A 84 2.315 17.586 -16.489 1.00 65.13 H new ATOM 0 HB3 PRO A 84 1.417 16.367 -17.372 1.00 65.13 H new ATOM 0 HG2 PRO A 84 0.106 18.332 -16.149 1.00 25.34 H new ATOM 0 HG3 PRO A 84 -0.547 16.706 -16.118 1.00 25.34 H new ATOM 0 HD2 PRO A 84 0.885 18.210 -13.928 1.00 35.51 H new ATOM 0 HD3 PRO A 84 -0.469 17.104 -13.799 1.00 35.51 H new ATOM 1330 N LEU A 85 4.165 14.543 -15.702 1.00 23.44 N ATOM 1331 CA LEU A 85 5.620 14.351 -15.643 1.00 22.01 C ATOM 1332 C LEU A 85 6.126 13.399 -16.746 1.00 22.31 C ATOM 1333 O LEU A 85 5.340 12.873 -17.539 1.00 24.13 O ATOM 1334 CB LEU A 85 6.030 13.839 -14.246 1.00 25.12 C ATOM 1335 CG LEU A 85 5.150 12.724 -13.636 1.00 13.42 C ATOM 1336 CD1 LEU A 85 5.244 11.424 -14.435 1.00 74.42 C ATOM 1337 CD2 LEU A 85 5.529 12.485 -12.175 1.00 15.34 C ATOM 0 H LEU A 85 3.651 13.737 -16.057 1.00 23.44 H new ATOM 0 HA LEU A 85 6.089 15.319 -15.820 1.00 22.01 H new ATOM 0 HB2 LEU A 85 7.055 13.472 -14.304 1.00 25.12 H new ATOM 0 HB3 LEU A 85 6.033 14.686 -13.559 1.00 25.12 H new ATOM 0 HG LEU A 85 4.114 13.060 -13.682 1.00 13.42 H new ATOM 0 HD11 LEU A 85 4.611 10.666 -13.973 1.00 74.42 H new ATOM 0 HD12 LEU A 85 4.911 11.601 -15.458 1.00 74.42 H new ATOM 0 HD13 LEU A 85 6.277 11.077 -14.445 1.00 74.42 H new ATOM 0 HD21 LEU A 85 4.900 11.697 -11.760 1.00 15.34 H new ATOM 0 HD22 LEU A 85 6.575 12.184 -12.115 1.00 15.34 H new ATOM 0 HD23 LEU A 85 5.383 13.403 -11.606 1.00 15.34 H new ATOM 1349 N ALA A 86 7.445 13.180 -16.783 1.00 52.40 N ATOM 1350 CA ALA A 86 8.066 12.312 -17.795 1.00 52.33 C ATOM 1351 C ALA A 86 7.994 10.826 -17.403 1.00 51.42 C ATOM 1352 O ALA A 86 8.283 10.457 -16.263 1.00 42.32 O ATOM 1353 CB ALA A 86 9.516 12.726 -18.024 1.00 32.22 C ATOM 0 H ALA A 86 8.106 13.592 -16.124 1.00 52.40 H new ATOM 0 HA ALA A 86 7.504 12.434 -18.721 1.00 52.33 H new ATOM 0 HB1 ALA A 86 9.966 12.076 -18.775 1.00 32.22 H new ATOM 0 HB2 ALA A 86 9.549 13.759 -18.371 1.00 32.22 H new ATOM 0 HB3 ALA A 86 10.071 12.639 -17.090 1.00 32.22 H new ATOM 1359 N LEU A 87 7.624 9.977 -18.364 1.00 54.33 N ATOM 1360 CA LEU A 87 7.479 8.530 -18.127 1.00 64.52 C ATOM 1361 C LEU A 87 8.838 7.822 -18.006 1.00 43.11 C ATOM 1362 O LEU A 87 8.980 6.851 -17.258 1.00 33.20 O ATOM 1363 CB LEU A 87 6.671 7.892 -19.266 1.00 34.31 C ATOM 1364 CG LEU A 87 5.231 8.410 -19.428 1.00 74.14 C ATOM 1365 CD1 LEU A 87 4.556 7.757 -20.631 1.00 40.31 C ATOM 1366 CD2 LEU A 87 4.421 8.169 -18.153 1.00 21.32 C ATOM 0 H LEU A 87 7.417 10.264 -19.321 1.00 54.33 H new ATOM 0 HA LEU A 87 6.954 8.408 -17.179 1.00 64.52 H new ATOM 0 HB2 LEU A 87 7.205 8.055 -20.202 1.00 34.31 H new ATOM 0 HB3 LEU A 87 6.635 6.815 -19.103 1.00 34.31 H new ATOM 0 HG LEU A 87 5.273 9.485 -19.604 1.00 74.14 H new ATOM 0 HD11 LEU A 87 3.539 8.137 -20.728 1.00 40.31 H new ATOM 0 HD12 LEU A 87 5.118 7.991 -21.535 1.00 40.31 H new ATOM 0 HD13 LEU A 87 4.528 6.676 -20.490 1.00 40.31 H new ATOM 0 HD21 LEU A 87 3.406 8.543 -18.290 1.00 21.32 H new ATOM 0 HD22 LEU A 87 4.388 7.101 -17.939 1.00 21.32 H new ATOM 0 HD23 LEU A 87 4.891 8.691 -17.319 1.00 21.32 H new ATOM 1378 N ASP A 88 9.834 8.315 -18.739 1.00 14.02 N ATOM 1379 CA ASP A 88 11.163 7.687 -18.790 1.00 62.54 C ATOM 1380 C ASP A 88 12.034 8.036 -17.566 1.00 64.11 C ATOM 1381 O ASP A 88 13.199 7.632 -17.489 1.00 71.44 O ATOM 1382 CB ASP A 88 11.871 8.104 -20.083 1.00 75.44 C ATOM 1383 CG ASP A 88 11.930 9.612 -20.245 1.00 35.23 C ATOM 1384 OD1 ASP A 88 10.905 10.210 -20.642 1.00 25.01 O ATOM 1385 OD2 ASP A 88 12.993 10.207 -19.979 1.00 64.11 O ATOM 0 H ASP A 88 9.749 9.154 -19.312 1.00 14.02 H new ATOM 0 HA ASP A 88 11.019 6.607 -18.772 1.00 62.54 H new ATOM 0 HB2 ASP A 88 12.883 7.700 -20.087 1.00 75.44 H new ATOM 0 HB3 ASP A 88 11.351 7.669 -20.936 1.00 75.44 H new ATOM 1390 N ALA A 89 11.459 8.760 -16.609 1.00 3.31 N ATOM 1391 CA ALA A 89 12.191 9.202 -15.416 1.00 32.11 C ATOM 1392 C ALA A 89 12.662 8.022 -14.545 1.00 31.42 C ATOM 1393 O ALA A 89 12.071 6.939 -14.561 1.00 61.22 O ATOM 1394 CB ALA A 89 11.323 10.154 -14.597 1.00 2.52 C ATOM 0 H ALA A 89 10.483 9.056 -16.633 1.00 3.31 H new ATOM 0 HA ALA A 89 13.086 9.723 -15.756 1.00 32.11 H new ATOM 0 HB1 ALA A 89 11.872 10.478 -13.713 1.00 2.52 H new ATOM 0 HB2 ALA A 89 11.065 11.023 -15.202 1.00 2.52 H new ATOM 0 HB3 ALA A 89 10.411 9.642 -14.290 1.00 2.52 H new ATOM 1400 N ASN A 90 13.737 8.244 -13.789 1.00 72.31 N ATOM 1401 CA ASN A 90 14.300 7.217 -12.898 1.00 21.14 C ATOM 1402 C ASN A 90 13.399 6.979 -11.677 1.00 45.50 C ATOM 1403 O ASN A 90 13.384 5.888 -11.101 1.00 13.32 O ATOM 1404 CB ASN A 90 15.701 7.633 -12.426 1.00 42.42 C ATOM 1405 CG ASN A 90 16.641 7.960 -13.572 1.00 12.31 C ATOM 1406 OD1 ASN A 90 16.224 8.442 -14.619 1.00 33.22 O ATOM 1407 ND2 ASN A 90 17.918 7.702 -13.384 1.00 23.31 N ATOM 0 H ASN A 90 14.242 9.130 -13.773 1.00 72.31 H new ATOM 0 HA ASN A 90 14.365 6.288 -13.465 1.00 21.14 H new ATOM 0 HB2 ASN A 90 15.615 8.503 -11.774 1.00 42.42 H new ATOM 0 HB3 ASN A 90 16.131 6.829 -11.829 1.00 42.42 H new ATOM 0 HD21 ASN A 90 18.593 7.903 -14.122 1.00 23.31 H new ATOM 0 HD22 ASN A 90 18.233 7.301 -12.501 1.00 23.31 H new ATOM 1414 N LYS A 91 12.663 8.016 -11.283 1.00 62.32 N ATOM 1415 CA LYS A 91 11.757 7.952 -10.129 1.00 12.13 C ATOM 1416 C LYS A 91 10.653 9.018 -10.262 1.00 23.13 C ATOM 1417 O LYS A 91 9.504 8.656 -10.592 1.00 37.92 O ATOM 1418 CB LYS A 91 12.557 8.147 -8.820 1.00 12.11 C ATOM 1419 CG LYS A 91 11.834 7.713 -7.539 1.00 44.20 C ATOM 1420 CD LYS A 91 10.719 8.676 -7.106 1.00 64.24 C ATOM 1421 CE LYS A 91 11.252 10.002 -6.553 1.00 0.22 C ATOM 1422 NZ LYS A 91 11.905 10.839 -7.595 1.00 2.22 N ATOM 1423 OXT LYS A 91 10.949 10.216 -10.044 1.00 37.92 O ATOM 0 H LYS A 91 12.675 8.923 -11.750 1.00 62.32 H new ATOM 0 HA LYS A 91 11.282 6.971 -10.100 1.00 12.13 H new ATOM 0 HB2 LYS A 91 13.490 7.589 -8.897 1.00 12.11 H new ATOM 0 HB3 LYS A 91 12.822 9.200 -8.729 1.00 12.11 H new ATOM 0 HG2 LYS A 91 11.408 6.721 -7.691 1.00 44.20 H new ATOM 0 HG3 LYS A 91 12.562 7.627 -6.732 1.00 44.20 H new ATOM 0 HD2 LYS A 91 10.071 8.879 -7.959 1.00 64.24 H new ATOM 0 HD3 LYS A 91 10.105 8.193 -6.346 1.00 64.24 H new ATOM 0 HE2 LYS A 91 10.430 10.561 -6.107 1.00 0.22 H new ATOM 0 HE3 LYS A 91 11.968 9.797 -5.757 1.00 0.22 H new ATOM 0 HZ1 LYS A 91 11.791 11.844 -7.354 1.00 2.22 H new ATOM 0 HZ2 LYS A 91 12.918 10.607 -7.642 1.00 2.22 H new ATOM 0 HZ3 LYS A 91 11.463 10.652 -8.518 1.00 2.22 H new TER 1437 LYS A 91