USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 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 80 THR OG1 : rot -89:sc= -0.262 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 162:sc= -1.66 (180deg=-1.82) USER MOD Set 2.1: A 63 CYS SG : rot -110:sc= 0.199 USER MOD Set 2.2: A 93 TYR OH : rot -63:sc= 0.379 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.296 (180deg=-1.53!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.76) USER MOD Single : A 6 HIS : no HE2:sc= -0.222 X(o=-0.22,f=-0.47) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc=-0.00426 X(o=-0.0043,f=-0.013) USER MOD Single : A 11 SER OG : rot 44:sc= 0.288 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.00463 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.421 (180deg=-0.586) USER MOD Single : A 23 ASN : amide:sc=-0.00835 K(o=-0.0083,f=-1.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 124:sc= -0.127 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -120:sc= -1.99! USER MOD Single : A 48 MET CE :methyl -102:sc= -1.15 (180deg=-2.8) USER MOD Single : A 50 GLN : amide:sc= -0.0533 X(o=-0.053,f=-0.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0631 USER MOD Single : A 65 GLN : amide:sc= -0.0219 K(o=-0.022,f=-2.6!) USER MOD Single : A 66 SER OG : rot -50:sc= 0.00132 USER MOD Single : A 68 ASN : amide:sc= -4.76! C(o=-4.8!,f=-9.9!) USER MOD Single : A 69 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.8!) USER MOD Single : A 76 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.11) USER MOD Single : A 77 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2.4!) USER MOD Single : A 79 TYR OH : rot 40:sc= -0.231 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0547 X(o=-0.055,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 37.322 45.458 -19.611 1.00 0.00 N ATOM 2 CA MET A 1 37.093 44.676 -18.368 1.00 0.00 C ATOM 3 C MET A 1 35.751 45.031 -17.735 1.00 0.00 C ATOM 4 O MET A 1 35.567 44.889 -16.526 1.00 0.00 O ATOM 5 CB MET A 1 38.233 44.971 -17.392 1.00 0.00 C ATOM 6 CG MET A 1 38.417 46.451 -17.100 1.00 0.00 C ATOM 7 SD MET A 1 40.147 46.960 -17.149 1.00 0.00 S ATOM 8 CE MET A 1 40.236 47.703 -18.775 1.00 0.00 C ATOM 0 H1 MET A 1 38.344 45.580 -19.761 1.00 0.00 H new ATOM 0 H2 MET A 1 36.912 44.951 -20.421 1.00 0.00 H new ATOM 0 H3 MET A 1 36.871 46.391 -19.522 1.00 0.00 H new ATOM 0 HA MET A 1 37.071 43.613 -18.610 1.00 0.00 H new ATOM 0 HB2 MET A 1 38.044 44.445 -16.456 1.00 0.00 H new ATOM 0 HB3 MET A 1 39.162 44.572 -17.800 1.00 0.00 H new ATOM 0 HG2 MET A 1 37.850 47.034 -17.826 1.00 0.00 H new ATOM 0 HG3 MET A 1 38.004 46.677 -16.117 1.00 0.00 H new ATOM 0 HE1 MET A 1 41.248 48.067 -18.954 1.00 0.00 H new ATOM 0 HE2 MET A 1 39.979 46.959 -19.529 1.00 0.00 H new ATOM 0 HE3 MET A 1 39.535 48.536 -18.833 1.00 0.00 H new ATOM 20 N GLY A 2 34.819 45.497 -18.560 1.00 0.00 N ATOM 21 CA GLY A 2 33.506 45.867 -18.066 1.00 0.00 C ATOM 22 C GLY A 2 32.429 44.891 -18.494 1.00 0.00 C ATOM 23 O GLY A 2 32.668 44.023 -19.334 1.00 0.00 O ATOM 0 H GLY A 2 34.950 45.625 -19.563 1.00 0.00 H new ATOM 0 HA2 GLY A 2 33.532 45.920 -16.978 1.00 0.00 H new ATOM 0 HA3 GLY A 2 33.253 46.864 -18.427 1.00 0.00 H new ATOM 27 N SER A 3 31.241 45.032 -17.915 1.00 0.00 N ATOM 28 CA SER A 3 30.123 44.157 -18.243 1.00 0.00 C ATOM 29 C SER A 3 28.851 44.967 -18.478 1.00 0.00 C ATOM 30 O SER A 3 28.467 45.217 -19.621 1.00 0.00 O ATOM 31 CB SER A 3 29.897 43.138 -17.124 1.00 0.00 C ATOM 32 OG SER A 3 28.651 42.480 -17.275 1.00 0.00 O ATOM 0 H SER A 3 31.028 45.744 -17.216 1.00 0.00 H new ATOM 0 HA SER A 3 30.368 43.624 -19.162 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.702 42.403 -17.129 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.931 43.641 -16.158 1.00 0.00 H new ATOM 0 HG SER A 3 28.532 41.833 -16.548 1.00 0.00 H new ATOM 38 N SER A 4 28.206 45.380 -17.391 1.00 0.00 N ATOM 39 CA SER A 4 26.978 46.161 -17.482 1.00 0.00 C ATOM 40 C SER A 4 26.955 47.268 -16.433 1.00 0.00 C ATOM 41 O SER A 4 27.619 47.171 -15.399 1.00 0.00 O ATOM 42 CB SER A 4 25.759 45.254 -17.308 1.00 0.00 C ATOM 43 OG SER A 4 25.024 45.151 -18.514 1.00 0.00 O ATOM 0 H SER A 4 28.513 45.187 -16.438 1.00 0.00 H new ATOM 0 HA SER A 4 26.944 46.621 -18.469 1.00 0.00 H new ATOM 0 HB2 SER A 4 26.082 44.263 -16.989 1.00 0.00 H new ATOM 0 HB3 SER A 4 25.118 45.649 -16.520 1.00 0.00 H new ATOM 0 HG SER A 4 24.251 44.565 -18.377 1.00 0.00 H new ATOM 49 N HIS A 5 26.185 48.316 -16.704 1.00 0.00 N ATOM 50 CA HIS A 5 26.070 49.441 -15.783 1.00 0.00 C ATOM 51 C HIS A 5 24.851 49.279 -14.881 1.00 0.00 C ATOM 52 O HIS A 5 24.868 49.688 -13.719 1.00 0.00 O ATOM 53 CB HIS A 5 25.971 50.755 -16.562 1.00 0.00 C ATOM 54 CG HIS A 5 26.513 51.935 -15.819 1.00 0.00 C ATOM 55 ND1 HIS A 5 27.446 51.787 -14.821 1.00 0.00 N ATOM 56 CD2 HIS A 5 26.224 53.251 -15.965 1.00 0.00 C ATOM 57 CE1 HIS A 5 27.703 53.007 -14.383 1.00 0.00 C ATOM 58 NE2 HIS A 5 26.985 53.925 -15.046 1.00 0.00 N ATOM 0 H HIS A 5 25.631 48.410 -17.555 1.00 0.00 H new ATOM 0 HA HIS A 5 26.963 49.463 -15.159 1.00 0.00 H new ATOM 0 HB2 HIS A 5 26.510 50.651 -17.504 1.00 0.00 H new ATOM 0 HB3 HIS A 5 24.926 50.942 -16.811 1.00 0.00 H new ATOM 0 HD2 HIS A 5 25.529 53.684 -16.669 1.00 0.00 H new ATOM 0 HE1 HIS A 5 28.402 53.235 -13.592 1.00 0.00 H new ATOM 0 HE2 HIS A 5 27.002 54.934 -14.895 1.00 0.00 H new ATOM 66 N HIS A 6 23.796 48.678 -15.424 1.00 0.00 N ATOM 67 CA HIS A 6 22.569 48.458 -14.669 1.00 0.00 C ATOM 68 C HIS A 6 22.153 46.993 -14.723 1.00 0.00 C ATOM 69 O HIS A 6 22.636 46.230 -15.560 1.00 0.00 O ATOM 70 CB HIS A 6 21.445 49.341 -15.217 1.00 0.00 C ATOM 71 CG HIS A 6 20.976 50.383 -14.251 1.00 0.00 C ATOM 72 ND1 HIS A 6 21.846 50.996 -13.381 1.00 0.00 N ATOM 73 CD2 HIS A 6 19.730 50.879 -14.056 1.00 0.00 C ATOM 74 CE1 HIS A 6 21.117 51.848 -12.681 1.00 0.00 C ATOM 75 NE2 HIS A 6 19.831 51.811 -13.056 1.00 0.00 N ATOM 0 H HIS A 6 23.767 48.335 -16.384 1.00 0.00 H new ATOM 0 HA HIS A 6 22.758 48.725 -13.629 1.00 0.00 H new ATOM 0 HB2 HIS A 6 21.790 49.831 -16.127 1.00 0.00 H new ATOM 0 HB3 HIS A 6 20.601 48.710 -15.495 1.00 0.00 H new ATOM 0 HD1 HIS A 6 22.848 50.828 -13.294 1.00 0.00 H new ATOM 0 HD2 HIS A 6 18.832 50.595 -14.585 1.00 0.00 H new ATOM 0 HE1 HIS A 6 21.508 52.491 -11.906 1.00 0.00 H new ATOM 83 N HIS A 7 21.257 46.603 -13.821 1.00 0.00 N ATOM 84 CA HIS A 7 20.778 45.226 -13.766 1.00 0.00 C ATOM 85 C HIS A 7 19.266 45.179 -13.577 1.00 0.00 C ATOM 86 O HIS A 7 18.680 46.058 -12.944 1.00 0.00 O ATOM 87 CB HIS A 7 21.467 44.469 -12.628 1.00 0.00 C ATOM 88 CG HIS A 7 22.214 43.254 -13.083 1.00 0.00 C ATOM 89 ND1 HIS A 7 21.730 41.988 -12.857 1.00 0.00 N ATOM 90 CD2 HIS A 7 23.394 43.166 -13.746 1.00 0.00 C ATOM 91 CE1 HIS A 7 22.619 41.161 -13.380 1.00 0.00 C ATOM 92 NE2 HIS A 7 23.643 41.831 -13.929 1.00 0.00 N ATOM 0 H HIS A 7 20.849 47.220 -13.119 1.00 0.00 H new ATOM 0 HA HIS A 7 21.022 44.748 -14.715 1.00 0.00 H new ATOM 0 HB2 HIS A 7 22.159 45.142 -12.121 1.00 0.00 H new ATOM 0 HB3 HIS A 7 20.718 44.171 -11.895 1.00 0.00 H new ATOM 0 HD2 HIS A 7 24.016 43.988 -14.067 1.00 0.00 H new ATOM 0 HE1 HIS A 7 22.532 40.085 -13.367 1.00 0.00 H new ATOM 0 HE2 HIS A 7 24.454 41.424 -14.395 1.00 0.00 H new ATOM 100 N HIS A 8 18.641 44.144 -14.129 1.00 0.00 N ATOM 101 CA HIS A 8 17.197 43.974 -14.025 1.00 0.00 C ATOM 102 C HIS A 8 16.852 42.687 -13.282 1.00 0.00 C ATOM 103 O HIS A 8 17.711 42.084 -12.639 1.00 0.00 O ATOM 104 CB HIS A 8 16.564 43.955 -15.419 1.00 0.00 C ATOM 105 CG HIS A 8 17.206 44.905 -16.383 1.00 0.00 C ATOM 106 ND1 HIS A 8 18.163 44.483 -17.274 1.00 0.00 N ATOM 107 CD2 HIS A 8 16.994 46.233 -16.556 1.00 0.00 C ATOM 108 CE1 HIS A 8 18.512 45.554 -17.964 1.00 0.00 C ATOM 109 NE2 HIS A 8 17.830 46.636 -17.564 1.00 0.00 N ATOM 0 H HIS A 8 19.114 43.409 -14.654 1.00 0.00 H new ATOM 0 HA HIS A 8 16.797 44.817 -13.461 1.00 0.00 H new ATOM 0 HB2 HIS A 8 16.625 42.944 -15.823 1.00 0.00 H new ATOM 0 HB3 HIS A 8 15.505 44.200 -15.331 1.00 0.00 H new ATOM 0 HD2 HIS A 8 16.301 46.853 -16.006 1.00 0.00 H new ATOM 0 HE1 HIS A 8 19.252 45.557 -18.750 1.00 0.00 H new ATOM 0 HE2 HIS A 8 17.917 47.581 -17.939 1.00 0.00 H new ATOM 117 N HIS A 9 15.593 42.272 -13.376 1.00 0.00 N ATOM 118 CA HIS A 9 15.139 41.053 -12.718 1.00 0.00 C ATOM 119 C HIS A 9 15.746 39.821 -13.381 1.00 0.00 C ATOM 120 O HIS A 9 16.265 39.896 -14.495 1.00 0.00 O ATOM 121 CB HIS A 9 13.612 40.967 -12.755 1.00 0.00 C ATOM 122 CG HIS A 9 12.949 41.557 -11.548 1.00 0.00 C ATOM 123 ND1 HIS A 9 12.613 40.781 -10.464 1.00 0.00 N ATOM 124 CD2 HIS A 9 12.585 42.839 -11.306 1.00 0.00 C ATOM 125 CE1 HIS A 9 12.056 41.602 -9.591 1.00 0.00 C ATOM 126 NE2 HIS A 9 12.016 42.858 -10.058 1.00 0.00 N ATOM 0 H HIS A 9 14.869 42.762 -13.902 1.00 0.00 H new ATOM 0 HA HIS A 9 15.468 41.085 -11.679 1.00 0.00 H new ATOM 0 HB2 HIS A 9 13.249 41.480 -13.646 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.317 39.922 -12.847 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.717 43.683 -11.967 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.681 41.300 -8.624 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.635 43.673 -9.577 1.00 0.00 H new ATOM 134 N HIS A 10 15.675 38.687 -12.690 1.00 0.00 N ATOM 135 CA HIS A 10 16.219 37.438 -13.213 1.00 0.00 C ATOM 136 C HIS A 10 15.127 36.382 -13.345 1.00 0.00 C ATOM 137 O HIS A 10 13.964 36.635 -13.033 1.00 0.00 O ATOM 138 CB HIS A 10 17.340 36.917 -12.307 1.00 0.00 C ATOM 139 CG HIS A 10 17.396 37.584 -10.967 1.00 0.00 C ATOM 140 ND1 HIS A 10 18.174 38.697 -10.752 1.00 0.00 N ATOM 141 CD2 HIS A 10 16.760 37.259 -9.814 1.00 0.00 C ATOM 142 CE1 HIS A 10 17.997 39.024 -9.485 1.00 0.00 C ATOM 143 NE2 HIS A 10 17.148 38.181 -8.878 1.00 0.00 N ATOM 0 H HIS A 10 15.247 38.607 -11.768 1.00 0.00 H new ATOM 0 HA HIS A 10 16.629 37.640 -14.202 1.00 0.00 H new ATOM 0 HB2 HIS A 10 17.209 35.845 -12.163 1.00 0.00 H new ATOM 0 HB3 HIS A 10 18.296 37.056 -12.812 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.080 36.434 -9.663 1.00 0.00 H new ATOM 0 HE1 HIS A 10 18.474 39.862 -9.000 1.00 0.00 H new ATOM 0 HE2 HIS A 10 16.848 38.219 -7.904 1.00 0.00 H new ATOM 151 N SER A 11 15.512 35.197 -13.811 1.00 0.00 N ATOM 152 CA SER A 11 14.569 34.099 -13.983 1.00 0.00 C ATOM 153 C SER A 11 14.965 32.901 -13.127 1.00 0.00 C ATOM 154 O SER A 11 15.688 32.013 -13.580 1.00 0.00 O ATOM 155 CB SER A 11 14.499 33.689 -15.456 1.00 0.00 C ATOM 156 OG SER A 11 15.795 33.471 -15.987 1.00 0.00 O ATOM 0 H SER A 11 16.471 34.974 -14.076 1.00 0.00 H new ATOM 0 HA SER A 11 13.586 34.442 -13.660 1.00 0.00 H new ATOM 0 HB2 SER A 11 13.904 32.781 -15.556 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.994 34.466 -16.029 1.00 0.00 H new ATOM 0 HG SER A 11 16.326 32.950 -15.349 1.00 0.00 H new ATOM 162 N SER A 12 14.490 32.885 -11.886 1.00 0.00 N ATOM 163 CA SER A 12 14.798 31.798 -10.964 1.00 0.00 C ATOM 164 C SER A 12 13.526 31.070 -10.536 1.00 0.00 C ATOM 165 O SER A 12 13.147 31.095 -9.365 1.00 0.00 O ATOM 166 CB SER A 12 15.533 32.337 -9.734 1.00 0.00 C ATOM 167 OG SER A 12 16.847 32.748 -10.066 1.00 0.00 O ATOM 0 H SER A 12 13.891 33.612 -11.496 1.00 0.00 H new ATOM 0 HA SER A 12 15.444 31.088 -11.481 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.980 33.178 -9.316 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.573 31.567 -8.964 1.00 0.00 H new ATOM 0 HG SER A 12 17.295 33.090 -9.264 1.00 0.00 H new ATOM 173 N GLY A 13 12.871 30.422 -11.496 1.00 0.00 N ATOM 174 CA GLY A 13 11.649 29.696 -11.202 1.00 0.00 C ATOM 175 C GLY A 13 11.917 28.301 -10.671 1.00 0.00 C ATOM 176 O GLY A 13 12.844 27.627 -11.118 1.00 0.00 O ATOM 0 H GLY A 13 13.165 30.387 -12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.066 30.254 -10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.044 29.627 -12.106 1.00 0.00 H new ATOM 180 N LEU A 14 11.102 27.869 -9.713 1.00 0.00 N ATOM 181 CA LEU A 14 11.256 26.547 -9.116 1.00 0.00 C ATOM 182 C LEU A 14 10.169 25.595 -9.607 1.00 0.00 C ATOM 183 O LEU A 14 9.001 25.973 -9.712 1.00 0.00 O ATOM 184 CB LEU A 14 11.214 26.647 -7.590 1.00 0.00 C ATOM 185 CG LEU A 14 10.158 27.606 -7.033 1.00 0.00 C ATOM 186 CD1 LEU A 14 9.452 26.984 -5.836 1.00 0.00 C ATOM 187 CD2 LEU A 14 10.795 28.933 -6.647 1.00 0.00 C ATOM 0 H LEU A 14 10.329 28.415 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 14 12.224 26.149 -9.421 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.033 25.653 -7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.194 26.964 -7.235 1.00 0.00 H new ATOM 0 HG LEU A 14 9.417 27.793 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.705 27.679 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.964 26.059 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.181 26.768 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.030 29.603 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.556 28.763 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.255 29.385 -7.526 1.00 0.00 H new ATOM 199 N VAL A 15 10.562 24.361 -9.905 1.00 0.00 N ATOM 200 CA VAL A 15 9.623 23.353 -10.385 1.00 0.00 C ATOM 201 C VAL A 15 9.529 22.180 -9.409 1.00 0.00 C ATOM 202 O VAL A 15 10.457 21.380 -9.299 1.00 0.00 O ATOM 203 CB VAL A 15 10.025 22.818 -11.774 1.00 0.00 C ATOM 204 CG1 VAL A 15 9.424 23.681 -12.873 1.00 0.00 C ATOM 205 CG2 VAL A 15 11.539 22.751 -11.907 1.00 0.00 C ATOM 0 H VAL A 15 11.525 24.035 -9.823 1.00 0.00 H new ATOM 0 HA VAL A 15 8.651 23.841 -10.462 1.00 0.00 H new ATOM 0 HB VAL A 15 9.631 21.807 -11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.719 23.288 -13.846 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.337 23.670 -12.791 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.785 24.704 -12.770 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.801 22.371 -12.894 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.960 23.748 -11.779 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.942 22.086 -11.143 1.00 0.00 H new ATOM 215 N PRO A 16 8.400 22.062 -8.684 1.00 0.00 N ATOM 216 CA PRO A 16 8.193 20.982 -7.710 1.00 0.00 C ATOM 217 C PRO A 16 8.338 19.599 -8.337 1.00 0.00 C ATOM 218 O PRO A 16 8.634 18.623 -7.648 1.00 0.00 O ATOM 219 CB PRO A 16 6.757 21.203 -7.224 1.00 0.00 C ATOM 220 CG PRO A 16 6.474 22.639 -7.501 1.00 0.00 C ATOM 221 CD PRO A 16 7.243 22.975 -8.747 1.00 0.00 C ATOM 0 HA PRO A 16 8.934 21.011 -6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.058 20.554 -7.751 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.661 20.979 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.406 22.807 -7.643 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.787 23.267 -6.667 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.648 22.809 -9.645 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.554 24.020 -8.759 1.00 0.00 H new ATOM 229 N ARG A 17 8.129 19.524 -9.649 1.00 0.00 N ATOM 230 CA ARG A 17 8.238 18.260 -10.369 1.00 0.00 C ATOM 231 C ARG A 17 9.673 17.744 -10.350 1.00 0.00 C ATOM 232 O ARG A 17 9.913 16.556 -10.129 1.00 0.00 O ATOM 233 CB ARG A 17 7.765 18.431 -11.813 1.00 0.00 C ATOM 234 CG ARG A 17 6.334 17.974 -12.043 1.00 0.00 C ATOM 235 CD ARG A 17 6.203 17.176 -13.330 1.00 0.00 C ATOM 236 NE ARG A 17 5.368 17.859 -14.315 1.00 0.00 N ATOM 237 CZ ARG A 17 5.503 17.707 -15.629 1.00 0.00 C ATOM 238 NH1 ARG A 17 6.436 16.900 -16.117 1.00 0.00 N ATOM 239 NH2 ARG A 17 4.703 18.364 -16.458 1.00 0.00 N ATOM 0 H ARG A 17 7.884 20.323 -10.234 1.00 0.00 H new ATOM 0 HA ARG A 17 7.602 17.529 -9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.852 19.481 -12.093 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.427 17.870 -12.472 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.006 17.364 -11.201 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.676 18.842 -12.084 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.193 17.003 -13.752 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.776 16.198 -13.108 1.00 0.00 H new ATOM 0 HE ARG A 17 4.640 18.488 -13.976 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.054 16.393 -15.483 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.536 16.787 -17.126 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.984 18.986 -16.088 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.806 18.248 -17.466 1.00 0.00 H new ATOM 253 N GLY A 18 10.623 18.644 -10.581 1.00 0.00 N ATOM 254 CA GLY A 18 12.023 18.262 -10.587 1.00 0.00 C ATOM 255 C GLY A 18 12.656 18.358 -9.212 1.00 0.00 C ATOM 256 O GLY A 18 13.869 18.527 -9.091 1.00 0.00 O ATOM 0 H GLY A 18 10.448 19.632 -10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.116 17.241 -10.956 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.568 18.902 -11.280 1.00 0.00 H new ATOM 260 N SER A 19 11.832 18.247 -8.175 1.00 0.00 N ATOM 261 CA SER A 19 12.315 18.321 -6.802 1.00 0.00 C ATOM 262 C SER A 19 12.034 17.020 -6.056 1.00 0.00 C ATOM 263 O SER A 19 11.681 16.008 -6.663 1.00 0.00 O ATOM 264 CB SER A 19 11.660 19.495 -6.073 1.00 0.00 C ATOM 265 OG SER A 19 12.543 20.065 -5.123 1.00 0.00 O ATOM 0 H SER A 19 10.825 18.105 -8.260 1.00 0.00 H new ATOM 0 HA SER A 19 13.394 18.476 -6.829 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.360 20.254 -6.796 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.753 19.155 -5.573 1.00 0.00 H new ATOM 0 HG SER A 19 12.100 20.814 -4.673 1.00 0.00 H new ATOM 271 N HIS A 20 12.194 17.054 -4.736 1.00 0.00 N ATOM 272 CA HIS A 20 11.965 15.876 -3.907 1.00 0.00 C ATOM 273 C HIS A 20 10.484 15.508 -3.871 1.00 0.00 C ATOM 274 O HIS A 20 10.130 14.343 -3.689 1.00 0.00 O ATOM 275 CB HIS A 20 12.476 16.122 -2.487 1.00 0.00 C ATOM 276 CG HIS A 20 13.426 15.070 -2.004 1.00 0.00 C ATOM 277 ND1 HIS A 20 14.786 15.220 -2.129 1.00 0.00 N ATOM 278 CD2 HIS A 20 13.163 13.879 -1.411 1.00 0.00 C ATOM 279 CE1 HIS A 20 15.320 14.126 -1.612 1.00 0.00 C ATOM 280 NE2 HIS A 20 14.375 13.287 -1.165 1.00 0.00 N ATOM 0 H HIS A 20 12.481 17.885 -4.218 1.00 0.00 H new ATOM 0 HA HIS A 20 12.514 15.043 -4.347 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.971 17.092 -2.451 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.626 16.173 -1.807 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.189 13.475 -1.178 1.00 0.00 H new ATOM 0 HE1 HIS A 20 16.381 13.933 -1.557 1.00 0.00 H new ATOM 0 HE2 HIS A 20 14.529 12.380 -0.725 1.00 0.00 H new ATOM 288 N MET A 21 9.624 16.508 -4.044 1.00 0.00 N ATOM 289 CA MET A 21 8.182 16.287 -4.030 1.00 0.00 C ATOM 290 C MET A 21 7.707 15.703 -5.356 1.00 0.00 C ATOM 291 O MET A 21 8.101 16.169 -6.427 1.00 0.00 O ATOM 292 CB MET A 21 7.448 17.599 -3.745 1.00 0.00 C ATOM 293 CG MET A 21 7.483 18.012 -2.283 1.00 0.00 C ATOM 294 SD MET A 21 7.168 19.773 -2.051 1.00 0.00 S ATOM 295 CE MET A 21 8.552 20.233 -1.011 1.00 0.00 C ATOM 0 H MET A 21 9.901 17.478 -4.195 1.00 0.00 H new ATOM 0 HA MET A 21 7.957 15.572 -3.239 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.891 18.392 -4.348 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.409 17.500 -4.061 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.740 17.438 -1.729 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.457 17.763 -1.862 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.496 21.297 -0.781 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.518 19.659 -0.085 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.485 20.023 -1.534 1.00 0.00 H new ATOM 305 N LYS A 22 6.859 14.682 -5.280 1.00 0.00 N ATOM 306 CA LYS A 22 6.331 14.036 -6.476 1.00 0.00 C ATOM 307 C LYS A 22 4.837 14.301 -6.627 1.00 0.00 C ATOM 308 O LYS A 22 4.245 15.041 -5.840 1.00 0.00 O ATOM 309 CB LYS A 22 6.590 12.529 -6.421 1.00 0.00 C ATOM 310 CG LYS A 22 7.785 12.088 -7.250 1.00 0.00 C ATOM 311 CD LYS A 22 7.364 11.634 -8.639 1.00 0.00 C ATOM 312 CE LYS A 22 7.664 12.692 -9.687 1.00 0.00 C ATOM 313 NZ LYS A 22 6.475 13.541 -9.976 1.00 0.00 N ATOM 0 H LYS A 22 6.523 14.284 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 22 6.843 14.457 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.748 12.233 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.702 12.003 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.494 12.912 -7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.301 11.274 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.884 10.711 -8.894 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.297 11.410 -8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.484 13.322 -9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.997 12.209 -10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.596 14.006 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.621 12.947 -9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.376 14.263 -9.234 1.00 0.00 H new ATOM 327 N ASN A 23 4.233 13.695 -7.645 1.00 0.00 N ATOM 328 CA ASN A 23 2.809 13.871 -7.904 1.00 0.00 C ATOM 329 C ASN A 23 2.004 12.692 -7.368 1.00 0.00 C ATOM 330 O ASN A 23 1.266 12.825 -6.391 1.00 0.00 O ATOM 331 CB ASN A 23 2.559 14.034 -9.405 1.00 0.00 C ATOM 332 CG ASN A 23 3.073 15.357 -9.938 1.00 0.00 C ATOM 333 OD1 ASN A 23 3.331 16.289 -9.175 1.00 0.00 O ATOM 334 ND2 ASN A 23 3.224 15.447 -11.255 1.00 0.00 N ATOM 0 H ASN A 23 4.708 13.078 -8.304 1.00 0.00 H new ATOM 0 HA ASN A 23 2.482 14.773 -7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.042 13.217 -9.941 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.490 13.957 -9.603 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.566 16.313 -11.671 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.998 14.650 -11.850 1.00 0.00 H new ATOM 341 N ILE A 24 2.148 11.538 -8.016 1.00 0.00 N ATOM 342 CA ILE A 24 1.430 10.335 -7.607 1.00 0.00 C ATOM 343 C ILE A 24 2.381 9.150 -7.461 1.00 0.00 C ATOM 344 O ILE A 24 2.811 8.562 -8.453 1.00 0.00 O ATOM 345 CB ILE A 24 0.324 9.970 -8.616 1.00 0.00 C ATOM 346 CG1 ILE A 24 -0.501 11.208 -8.978 1.00 0.00 C ATOM 347 CG2 ILE A 24 -0.573 8.880 -8.049 1.00 0.00 C ATOM 348 CD1 ILE A 24 -0.535 11.497 -10.463 1.00 0.00 C ATOM 0 H ILE A 24 2.755 11.412 -8.826 1.00 0.00 H new ATOM 0 HA ILE A 24 0.973 10.552 -6.642 1.00 0.00 H new ATOM 0 HB ILE A 24 0.795 9.593 -9.524 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.521 11.073 -8.619 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.091 12.073 -8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.349 8.634 -8.774 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.022 7.992 -7.839 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.036 9.233 -7.127 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.137 12.387 -10.647 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.480 11.664 -10.824 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.972 10.648 -10.989 1.00 0.00 H new ATOM 360 N VAL A 25 2.698 8.802 -6.217 1.00 0.00 N ATOM 361 CA VAL A 25 3.600 7.686 -5.937 1.00 0.00 C ATOM 362 C VAL A 25 2.866 6.530 -5.250 1.00 0.00 C ATOM 363 O VAL A 25 2.927 5.395 -5.723 1.00 0.00 O ATOM 364 CB VAL A 25 4.802 8.118 -5.072 1.00 0.00 C ATOM 365 CG1 VAL A 25 6.094 7.534 -5.624 1.00 0.00 C ATOM 366 CG2 VAL A 25 4.891 9.635 -4.986 1.00 0.00 C ATOM 0 H VAL A 25 2.344 9.276 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 25 3.974 7.345 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 25 4.653 7.731 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.931 7.849 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.031 6.446 -5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.247 7.888 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.746 9.915 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.012 10.050 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.978 10.028 -4.539 1.00 0.00 H new ATOM 376 N PRO A 26 2.157 6.789 -4.128 1.00 0.00 N ATOM 377 CA PRO A 26 1.423 5.739 -3.412 1.00 0.00 C ATOM 378 C PRO A 26 0.513 4.940 -4.338 1.00 0.00 C ATOM 379 O PRO A 26 -0.432 5.481 -4.913 1.00 0.00 O ATOM 380 CB PRO A 26 0.596 6.517 -2.386 1.00 0.00 C ATOM 381 CG PRO A 26 1.366 7.769 -2.155 1.00 0.00 C ATOM 382 CD PRO A 26 2.011 8.104 -3.472 1.00 0.00 C ATOM 0 HA PRO A 26 2.093 5.004 -2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.404 6.731 -2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.475 5.950 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.711 8.575 -1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.116 7.628 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.392 8.780 -4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.975 8.593 -3.334 1.00 0.00 H new ATOM 390 N ASP A 27 0.817 3.655 -4.493 1.00 0.00 N ATOM 391 CA ASP A 27 0.024 2.784 -5.347 1.00 0.00 C ATOM 392 C ASP A 27 -1.036 2.056 -4.535 1.00 0.00 C ATOM 393 O ASP A 27 -2.204 2.445 -4.552 1.00 0.00 O ATOM 394 CB ASP A 27 0.911 1.776 -6.080 1.00 0.00 C ATOM 395 CG ASP A 27 0.125 0.912 -7.047 1.00 0.00 C ATOM 396 OD1 ASP A 27 -0.174 1.391 -8.161 1.00 0.00 O ATOM 397 OD2 ASP A 27 -0.193 -0.240 -6.690 1.00 0.00 O ATOM 0 H ASP A 27 1.606 3.196 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.472 3.408 -6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.690 2.310 -6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.411 1.138 -5.351 1.00 0.00 H new ATOM 402 N TYR A 28 -0.651 0.978 -3.847 1.00 0.00 N ATOM 403 CA TYR A 28 -1.633 0.236 -3.054 1.00 0.00 C ATOM 404 C TYR A 28 -1.107 -0.144 -1.673 1.00 0.00 C ATOM 405 O TYR A 28 0.082 -0.011 -1.385 1.00 0.00 O ATOM 406 CB TYR A 28 -2.097 -1.011 -3.807 1.00 0.00 C ATOM 407 CG TYR A 28 -3.589 -1.042 -4.054 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.156 -0.308 -5.089 1.00 0.00 C ATOM 409 CD2 TYR A 28 -4.430 -1.799 -3.249 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.519 -0.332 -5.316 1.00 0.00 C ATOM 411 CE2 TYR A 28 -5.794 -1.828 -3.471 1.00 0.00 C ATOM 412 CZ TYR A 28 -6.333 -1.093 -4.506 1.00 0.00 C ATOM 413 OH TYR A 28 -7.691 -1.120 -4.729 1.00 0.00 O ATOM 0 H TYR A 28 0.300 0.609 -3.821 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.482 0.902 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.577 -1.064 -4.763 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.812 -1.897 -3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.522 0.291 -5.726 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.012 -2.374 -2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.944 0.243 -6.125 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.434 -2.423 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.119 -1.706 -4.070 1.00 0.00 H new ATOM 423 N ARG A 29 -2.021 -0.603 -0.821 1.00 0.00 N ATOM 424 CA ARG A 29 -1.679 -1.024 0.534 1.00 0.00 C ATOM 425 C ARG A 29 -2.356 -2.351 0.875 1.00 0.00 C ATOM 426 O ARG A 29 -3.584 -2.440 0.896 1.00 0.00 O ATOM 427 CB ARG A 29 -2.098 0.047 1.543 1.00 0.00 C ATOM 428 CG ARG A 29 -0.978 1.007 1.912 1.00 0.00 C ATOM 429 CD ARG A 29 -1.317 1.802 3.164 1.00 0.00 C ATOM 430 NE ARG A 29 -0.964 1.078 4.383 1.00 0.00 N ATOM 431 CZ ARG A 29 -1.744 1.021 5.458 1.00 0.00 C ATOM 432 NH1 ARG A 29 -2.914 1.643 5.466 1.00 0.00 N ATOM 433 NH2 ARG A 29 -1.351 0.342 6.528 1.00 0.00 N ATOM 0 H ARG A 29 -3.011 -0.693 -1.048 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.599 -1.160 0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.932 0.616 1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.460 -0.440 2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.056 0.448 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.796 1.691 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.789 2.755 3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.383 2.028 3.172 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.069 0.589 4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.218 2.167 4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.510 1.597 6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.450 -0.136 6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.950 0.298 7.353 1.00 0.00 H new ATOM 447 N LEU A 30 -1.552 -3.376 1.143 1.00 0.00 N ATOM 448 CA LEU A 30 -2.082 -4.694 1.482 1.00 0.00 C ATOM 449 C LEU A 30 -1.692 -5.090 2.905 1.00 0.00 C ATOM 450 O LEU A 30 -0.769 -5.877 3.109 1.00 0.00 O ATOM 451 CB LEU A 30 -1.578 -5.744 0.480 1.00 0.00 C ATOM 452 CG LEU A 30 -2.650 -6.705 -0.052 1.00 0.00 C ATOM 453 CD1 LEU A 30 -3.009 -7.731 1.012 1.00 0.00 C ATOM 454 CD2 LEU A 30 -3.884 -5.931 -0.493 1.00 0.00 C ATOM 0 H LEU A 30 -0.534 -3.320 1.132 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.170 -4.648 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.123 -5.228 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.792 -6.330 0.956 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.251 -7.232 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.770 -8.407 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.120 -8.302 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.394 -7.220 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.635 -6.626 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.291 -5.380 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.611 -5.231 -1.283 1.00 0.00 H new ATOM 466 N ASP A 31 -2.406 -4.547 3.887 1.00 0.00 N ATOM 467 CA ASP A 31 -2.119 -4.833 5.290 1.00 0.00 C ATOM 468 C ASP A 31 -3.136 -5.808 5.879 1.00 0.00 C ATOM 469 O ASP A 31 -3.945 -5.435 6.729 1.00 0.00 O ATOM 470 CB ASP A 31 -2.110 -3.537 6.103 1.00 0.00 C ATOM 471 CG ASP A 31 -3.126 -2.531 5.599 1.00 0.00 C ATOM 472 OD1 ASP A 31 -2.804 -1.786 4.650 1.00 0.00 O ATOM 473 OD2 ASP A 31 -4.245 -2.489 6.152 1.00 0.00 O ATOM 0 H ASP A 31 -3.186 -3.907 3.738 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.134 -5.298 5.340 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.317 -3.766 7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.115 -3.094 6.065 1.00 0.00 H new ATOM 478 N MET A 32 -3.114 -7.048 5.397 1.00 0.00 N ATOM 479 CA MET A 32 -4.029 -8.074 5.887 1.00 0.00 C ATOM 480 C MET A 32 -3.309 -9.409 6.110 1.00 0.00 C ATOM 481 O MET A 32 -2.523 -9.561 7.047 1.00 0.00 O ATOM 482 CB MET A 32 -5.195 -8.255 4.908 1.00 0.00 C ATOM 483 CG MET A 32 -5.822 -6.948 4.450 1.00 0.00 C ATOM 484 SD MET A 32 -6.697 -7.112 2.881 1.00 0.00 S ATOM 485 CE MET A 32 -6.883 -5.393 2.413 1.00 0.00 C ATOM 0 H MET A 32 -2.474 -7.366 4.669 1.00 0.00 H new ATOM 0 HA MET A 32 -4.419 -7.742 6.849 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.842 -8.803 4.035 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.962 -8.869 5.381 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.515 -6.595 5.213 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.044 -6.191 4.351 1.00 0.00 H new ATOM 0 HE1 MET A 32 -7.408 -5.330 1.460 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.455 -4.868 3.178 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.899 -4.934 2.317 1.00 0.00 H new ATOM 495 N VAL A 33 -3.626 -10.390 5.269 1.00 0.00 N ATOM 496 CA VAL A 33 -3.030 -11.718 5.366 1.00 0.00 C ATOM 497 C VAL A 33 -2.617 -12.228 3.989 1.00 0.00 C ATOM 498 O VAL A 33 -3.444 -12.319 3.080 1.00 0.00 O ATOM 499 CB VAL A 33 -4.014 -12.718 6.005 1.00 0.00 C ATOM 500 CG1 VAL A 33 -3.416 -14.116 6.052 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.415 -12.256 7.397 1.00 0.00 C ATOM 0 H VAL A 33 -4.297 -10.288 4.508 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.146 -11.635 5.998 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.909 -12.757 5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.130 -14.802 6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.188 -14.449 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.500 -14.100 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.110 -12.974 7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.528 -12.182 8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.895 -11.280 7.332 1.00 0.00 H new ATOM 511 N GLY A 34 -1.339 -12.561 3.839 1.00 0.00 N ATOM 512 CA GLY A 34 -0.852 -13.065 2.568 1.00 0.00 C ATOM 513 C GLY A 34 -1.412 -14.435 2.242 1.00 0.00 C ATOM 514 O GLY A 34 -0.853 -15.454 2.648 1.00 0.00 O ATOM 0 H GLY A 34 -0.634 -12.491 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.121 -12.367 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.237 -13.116 2.592 1.00 0.00 H new ATOM 518 N GLU A 35 -2.525 -14.460 1.516 1.00 0.00 N ATOM 519 CA GLU A 35 -3.164 -15.715 1.139 1.00 0.00 C ATOM 520 C GLU A 35 -2.482 -16.322 -0.090 1.00 0.00 C ATOM 521 O GLU A 35 -1.757 -15.631 -0.806 1.00 0.00 O ATOM 522 CB GLU A 35 -4.657 -15.484 0.869 1.00 0.00 C ATOM 523 CG GLU A 35 -4.986 -15.199 -0.588 1.00 0.00 C ATOM 524 CD GLU A 35 -6.417 -14.741 -0.784 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.309 -15.608 -0.897 1.00 0.00 O ATOM 526 OE2 GLU A 35 -6.648 -13.514 -0.825 1.00 0.00 O ATOM 0 H GLU A 35 -3.003 -13.625 1.177 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.062 -16.420 1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.214 -16.364 1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.001 -14.648 1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.309 -14.434 -0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.812 -16.099 -1.178 1.00 0.00 H new ATOM 533 N PRO A 36 -2.702 -17.626 -0.353 1.00 0.00 N ATOM 534 CA PRO A 36 -2.092 -18.314 -1.496 1.00 0.00 C ATOM 535 C PRO A 36 -2.807 -18.012 -2.810 1.00 0.00 C ATOM 536 O PRO A 36 -2.901 -18.870 -3.687 1.00 0.00 O ATOM 537 CB PRO A 36 -2.246 -19.788 -1.129 1.00 0.00 C ATOM 538 CG PRO A 36 -3.491 -19.837 -0.313 1.00 0.00 C ATOM 539 CD PRO A 36 -3.546 -18.538 0.448 1.00 0.00 C ATOM 0 HA PRO A 36 -1.061 -18.002 -1.662 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.329 -20.413 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.386 -20.149 -0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.369 -19.953 -0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.476 -20.687 0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.567 -18.167 0.533 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.162 -18.651 1.462 1.00 0.00 H new ATOM 547 N CYS A 37 -3.306 -16.786 -2.942 1.00 0.00 N ATOM 548 CA CYS A 37 -4.014 -16.375 -4.148 1.00 0.00 C ATOM 549 C CYS A 37 -3.500 -15.026 -4.649 1.00 0.00 C ATOM 550 O CYS A 37 -2.999 -14.217 -3.869 1.00 0.00 O ATOM 551 CB CYS A 37 -5.516 -16.295 -3.876 1.00 0.00 C ATOM 552 SG CYS A 37 -6.169 -17.683 -2.919 1.00 0.00 S ATOM 0 H CYS A 37 -3.233 -16.061 -2.228 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.831 -17.121 -4.922 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.729 -15.368 -3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.044 -16.244 -4.828 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.770 -17.234 -1.858 1.00 0.00 H new ATOM 558 N PRO A 38 -3.619 -14.765 -5.965 1.00 0.00 N ATOM 559 CA PRO A 38 -3.155 -13.509 -6.569 1.00 0.00 C ATOM 560 C PRO A 38 -3.733 -12.277 -5.880 1.00 0.00 C ATOM 561 O PRO A 38 -3.175 -11.184 -5.976 1.00 0.00 O ATOM 562 CB PRO A 38 -3.660 -13.596 -8.012 1.00 0.00 C ATOM 563 CG PRO A 38 -3.798 -15.054 -8.279 1.00 0.00 C ATOM 564 CD PRO A 38 -4.196 -15.679 -6.971 1.00 0.00 C ATOM 0 HA PRO A 38 -2.074 -13.399 -6.485 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.613 -13.080 -8.129 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.959 -13.131 -8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.550 -15.241 -9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.861 -15.474 -8.643 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.279 -15.752 -6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.799 -16.689 -6.871 1.00 0.00 H new ATOM 572 N TYR A 39 -4.857 -12.457 -5.193 1.00 0.00 N ATOM 573 CA TYR A 39 -5.506 -11.352 -4.494 1.00 0.00 C ATOM 574 C TYR A 39 -5.113 -11.331 -3.017 1.00 0.00 C ATOM 575 O TYR A 39 -4.739 -12.359 -2.454 1.00 0.00 O ATOM 576 CB TYR A 39 -7.034 -11.441 -4.626 1.00 0.00 C ATOM 577 CG TYR A 39 -7.546 -12.778 -5.119 1.00 0.00 C ATOM 578 CD1 TYR A 39 -7.542 -13.091 -6.472 1.00 0.00 C ATOM 579 CD2 TYR A 39 -8.062 -13.714 -4.231 1.00 0.00 C ATOM 580 CE1 TYR A 39 -8.019 -14.307 -6.926 1.00 0.00 C ATOM 581 CE2 TYR A 39 -8.545 -14.931 -4.677 1.00 0.00 C ATOM 582 CZ TYR A 39 -8.518 -15.222 -6.025 1.00 0.00 C ATOM 583 OH TYR A 39 -8.995 -16.433 -6.472 1.00 0.00 O ATOM 0 H TYR A 39 -5.336 -13.353 -5.105 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.167 -10.426 -4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.483 -11.230 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.373 -10.662 -5.309 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.160 -12.372 -7.182 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -8.086 -13.488 -3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -8.000 -14.538 -7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.941 -15.649 -3.974 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.309 -16.962 -5.710 1.00 0.00 H new ATOM 593 N PRO A 40 -5.175 -10.150 -2.369 1.00 0.00 N ATOM 594 CA PRO A 40 -5.627 -8.902 -2.990 1.00 0.00 C ATOM 595 C PRO A 40 -4.525 -8.213 -3.796 1.00 0.00 C ATOM 596 O PRO A 40 -4.759 -7.174 -4.414 1.00 0.00 O ATOM 597 CB PRO A 40 -6.054 -8.032 -1.798 1.00 0.00 C ATOM 598 CG PRO A 40 -5.832 -8.866 -0.572 1.00 0.00 C ATOM 599 CD PRO A 40 -4.861 -9.944 -0.957 1.00 0.00 C ATOM 0 HA PRO A 40 -6.428 -9.078 -3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.468 -7.114 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.100 -7.738 -1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.435 -8.260 0.242 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.770 -9.297 -0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.827 -9.632 -0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.006 -10.851 -0.371 1.00 0.00 H new ATOM 607 N ALA A 41 -3.341 -8.828 -3.829 1.00 0.00 N ATOM 608 CA ALA A 41 -2.204 -8.296 -4.587 1.00 0.00 C ATOM 609 C ALA A 41 -2.553 -8.071 -6.057 1.00 0.00 C ATOM 610 O ALA A 41 -1.720 -7.594 -6.826 1.00 0.00 O ATOM 611 CB ALA A 41 -1.009 -9.234 -4.479 1.00 0.00 C ATOM 0 H ALA A 41 -3.143 -9.699 -3.337 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.949 -7.330 -4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.173 -8.825 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.721 -9.337 -3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.276 -10.212 -4.880 1.00 0.00 H new ATOM 617 N VAL A 42 -3.777 -8.425 -6.449 1.00 0.00 N ATOM 618 CA VAL A 42 -4.223 -8.215 -7.822 1.00 0.00 C ATOM 619 C VAL A 42 -3.983 -6.766 -8.234 1.00 0.00 C ATOM 620 O VAL A 42 -3.745 -6.470 -9.405 1.00 0.00 O ATOM 621 CB VAL A 42 -5.717 -8.555 -7.996 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.163 -8.308 -9.431 1.00 0.00 C ATOM 623 CG2 VAL A 42 -5.987 -9.995 -7.592 1.00 0.00 C ATOM 0 H VAL A 42 -4.471 -8.855 -5.838 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.645 -8.884 -8.460 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.294 -7.901 -7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.220 -8.554 -9.531 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.009 -7.259 -9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.579 -8.934 -10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.046 -10.217 -7.721 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.397 -10.665 -8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.712 -10.137 -6.547 1.00 0.00 H new ATOM 633 N ALA A 43 -4.018 -5.873 -7.249 1.00 0.00 N ATOM 634 CA ALA A 43 -3.760 -4.460 -7.487 1.00 0.00 C ATOM 635 C ALA A 43 -2.287 -4.240 -7.806 1.00 0.00 C ATOM 636 O ALA A 43 -1.942 -3.436 -8.671 1.00 0.00 O ATOM 637 CB ALA A 43 -4.175 -3.634 -6.280 1.00 0.00 C ATOM 0 H ALA A 43 -4.223 -6.106 -6.277 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.352 -4.136 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.975 -2.580 -6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.240 -3.773 -6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.608 -3.956 -5.407 1.00 0.00 H new ATOM 643 N THR A 44 -1.423 -4.975 -7.109 1.00 0.00 N ATOM 644 CA THR A 44 0.014 -4.894 -7.340 1.00 0.00 C ATOM 645 C THR A 44 0.329 -5.244 -8.795 1.00 0.00 C ATOM 646 O THR A 44 1.079 -4.538 -9.471 1.00 0.00 O ATOM 647 CB THR A 44 0.761 -5.831 -6.381 1.00 0.00 C ATOM 648 OG1 THR A 44 1.345 -5.087 -5.326 1.00 0.00 O ATOM 649 CG2 THR A 44 1.866 -6.637 -7.034 1.00 0.00 C ATOM 0 H THR A 44 -1.695 -5.634 -6.379 1.00 0.00 H new ATOM 0 HA THR A 44 0.348 -3.874 -7.148 1.00 0.00 H new ATOM 0 HB THR A 44 0.005 -6.529 -6.022 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.316 -5.217 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.343 -7.272 -6.288 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.445 -7.259 -7.824 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.606 -5.960 -7.461 1.00 0.00 H new ATOM 657 N LEU A 45 -0.276 -6.329 -9.271 1.00 0.00 N ATOM 658 CA LEU A 45 -0.082 -6.776 -10.644 1.00 0.00 C ATOM 659 C LEU A 45 -0.700 -5.788 -11.627 1.00 0.00 C ATOM 660 O LEU A 45 -0.136 -5.519 -12.687 1.00 0.00 O ATOM 661 CB LEU A 45 -0.701 -8.162 -10.840 1.00 0.00 C ATOM 662 CG LEU A 45 0.103 -9.110 -11.733 1.00 0.00 C ATOM 663 CD1 LEU A 45 1.193 -9.803 -10.929 1.00 0.00 C ATOM 664 CD2 LEU A 45 -0.815 -10.134 -12.384 1.00 0.00 C ATOM 0 H LEU A 45 -0.906 -6.915 -8.723 1.00 0.00 H new ATOM 0 HA LEU A 45 0.989 -6.832 -10.837 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.828 -8.628 -9.863 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.696 -8.041 -11.267 1.00 0.00 H new ATOM 0 HG LEU A 45 0.577 -8.524 -12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.755 -10.473 -11.580 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.867 -9.056 -10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.740 -10.377 -10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.227 -10.800 -13.016 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.317 -10.716 -11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.559 -9.620 -12.992 1.00 0.00 H new ATOM 676 N GLU A 46 -1.866 -5.254 -11.270 1.00 0.00 N ATOM 677 CA GLU A 46 -2.553 -4.286 -12.117 1.00 0.00 C ATOM 678 C GLU A 46 -1.828 -2.945 -12.098 1.00 0.00 C ATOM 679 O GLU A 46 -2.048 -2.095 -12.961 1.00 0.00 O ATOM 680 CB GLU A 46 -4.010 -4.120 -11.665 1.00 0.00 C ATOM 681 CG GLU A 46 -4.248 -2.928 -10.748 1.00 0.00 C ATOM 682 CD GLU A 46 -5.673 -2.860 -10.239 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.133 -3.848 -9.628 1.00 0.00 O ATOM 684 OE2 GLU A 46 -6.331 -1.820 -10.451 1.00 0.00 O ATOM 0 H GLU A 46 -2.353 -5.476 -10.401 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.550 -4.660 -13.141 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.643 -4.018 -12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.325 -5.028 -11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.566 -2.985 -9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.014 -2.009 -11.285 1.00 0.00 H new ATOM 691 N ALA A 47 -0.969 -2.761 -11.100 1.00 0.00 N ATOM 692 CA ALA A 47 -0.197 -1.532 -10.970 1.00 0.00 C ATOM 693 C ALA A 47 0.898 -1.464 -12.028 1.00 0.00 C ATOM 694 O ALA A 47 1.201 -0.393 -12.556 1.00 0.00 O ATOM 695 CB ALA A 47 0.404 -1.429 -9.576 1.00 0.00 C ATOM 0 H ALA A 47 -0.791 -3.449 -10.369 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.870 -0.689 -11.123 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.978 -0.506 -9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.395 -1.426 -8.835 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.060 -2.281 -9.399 1.00 0.00 H new ATOM 701 N MET A 48 1.489 -2.619 -12.333 1.00 0.00 N ATOM 702 CA MET A 48 2.560 -2.698 -13.324 1.00 0.00 C ATOM 703 C MET A 48 2.172 -1.987 -14.623 1.00 0.00 C ATOM 704 O MET A 48 2.896 -1.105 -15.081 1.00 0.00 O ATOM 705 CB MET A 48 2.933 -4.157 -13.602 1.00 0.00 C ATOM 706 CG MET A 48 2.964 -5.025 -12.354 1.00 0.00 C ATOM 707 SD MET A 48 3.788 -6.604 -12.625 1.00 0.00 S ATOM 708 CE MET A 48 5.481 -6.064 -12.842 1.00 0.00 C ATOM 0 H MET A 48 1.243 -3.513 -11.907 1.00 0.00 H new ATOM 0 HA MET A 48 3.431 -2.189 -12.911 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.218 -4.578 -14.309 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.912 -4.188 -14.081 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.473 -4.487 -11.555 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.943 -5.206 -12.017 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.731 -6.068 -13.903 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.595 -5.055 -12.446 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.150 -6.740 -12.309 1.00 0.00 H new ATOM 718 N PRO A 49 1.021 -2.336 -15.237 1.00 0.00 N ATOM 719 CA PRO A 49 0.566 -1.680 -16.465 1.00 0.00 C ATOM 720 C PRO A 49 0.231 -0.213 -16.223 1.00 0.00 C ATOM 721 O PRO A 49 0.625 0.664 -16.993 1.00 0.00 O ATOM 722 CB PRO A 49 -0.696 -2.459 -16.862 1.00 0.00 C ATOM 723 CG PRO A 49 -0.661 -3.711 -16.051 1.00 0.00 C ATOM 724 CD PRO A 49 0.069 -3.364 -14.788 1.00 0.00 C ATOM 0 HA PRO A 49 1.333 -1.688 -17.240 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.596 -1.881 -16.653 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.701 -2.682 -17.929 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.669 -4.064 -15.835 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.152 -4.511 -16.589 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.606 -2.984 -14.022 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.578 -4.229 -14.364 1.00 0.00 H new ATOM 732 N GLN A 50 -0.497 0.045 -15.139 1.00 0.00 N ATOM 733 CA GLN A 50 -0.884 1.403 -14.770 1.00 0.00 C ATOM 734 C GLN A 50 0.303 2.196 -14.222 1.00 0.00 C ATOM 735 O GLN A 50 0.124 3.268 -13.645 1.00 0.00 O ATOM 736 CB GLN A 50 -2.006 1.368 -13.729 1.00 0.00 C ATOM 737 CG GLN A 50 -2.950 2.556 -13.811 1.00 0.00 C ATOM 738 CD GLN A 50 -3.432 3.013 -12.448 1.00 0.00 C ATOM 739 OE1 GLN A 50 -2.636 3.207 -11.529 1.00 0.00 O ATOM 740 NE2 GLN A 50 -4.741 3.186 -12.310 1.00 0.00 N ATOM 0 H GLN A 50 -0.832 -0.674 -14.498 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.238 1.902 -15.672 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.579 0.450 -13.856 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.565 1.333 -12.733 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.445 3.383 -14.310 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.810 2.290 -14.426 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.364 3.013 -13.099 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.124 3.492 -11.415 1.00 0.00 H new ATOM 749 N LEU A 51 1.512 1.662 -14.404 1.00 0.00 N ATOM 750 CA LEU A 51 2.726 2.308 -13.917 1.00 0.00 C ATOM 751 C LEU A 51 2.756 3.795 -14.257 1.00 0.00 C ATOM 752 O LEU A 51 2.075 4.251 -15.176 1.00 0.00 O ATOM 753 CB LEU A 51 3.956 1.616 -14.510 1.00 0.00 C ATOM 754 CG LEU A 51 4.394 2.127 -15.887 1.00 0.00 C ATOM 755 CD1 LEU A 51 5.810 2.677 -15.828 1.00 0.00 C ATOM 756 CD2 LEU A 51 4.294 1.019 -16.924 1.00 0.00 C ATOM 0 H LEU A 51 1.674 0.779 -14.888 1.00 0.00 H new ATOM 0 HA LEU A 51 2.736 2.216 -12.831 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.788 1.733 -13.816 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.751 0.548 -14.585 1.00 0.00 H new ATOM 0 HG LEU A 51 3.725 2.935 -16.182 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.103 3.035 -16.815 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.851 3.502 -15.116 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.493 1.889 -15.510 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.609 1.400 -17.895 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.939 0.189 -16.633 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.263 0.672 -16.987 1.00 0.00 H new ATOM 768 N LYS A 52 3.566 4.541 -13.514 1.00 0.00 N ATOM 769 CA LYS A 52 3.704 5.975 -13.726 1.00 0.00 C ATOM 770 C LYS A 52 5.149 6.413 -13.513 1.00 0.00 C ATOM 771 O LYS A 52 6.067 5.593 -13.545 1.00 0.00 O ATOM 772 CB LYS A 52 2.783 6.740 -12.774 1.00 0.00 C ATOM 773 CG LYS A 52 1.314 6.664 -13.155 1.00 0.00 C ATOM 774 CD LYS A 52 0.887 7.871 -13.975 1.00 0.00 C ATOM 775 CE LYS A 52 -0.605 8.132 -13.849 1.00 0.00 C ATOM 776 NZ LYS A 52 -1.129 8.932 -14.991 1.00 0.00 N ATOM 0 H LYS A 52 4.140 4.172 -12.755 1.00 0.00 H new ATOM 0 HA LYS A 52 3.420 6.199 -14.754 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.909 6.346 -11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.089 7.786 -12.748 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.132 5.753 -13.725 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.706 6.603 -12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.440 8.750 -13.645 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.142 7.709 -15.022 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.136 7.182 -13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.804 8.659 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.150 9.088 -14.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.640 9.849 -15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.963 8.418 -15.880 1.00 0.00 H new ATOM 790 N LYS A 53 5.344 7.708 -13.284 1.00 0.00 N ATOM 791 CA LYS A 53 6.677 8.250 -13.051 1.00 0.00 C ATOM 792 C LYS A 53 7.046 8.152 -11.574 1.00 0.00 C ATOM 793 O LYS A 53 7.747 9.012 -11.037 1.00 0.00 O ATOM 794 CB LYS A 53 6.744 9.707 -13.512 1.00 0.00 C ATOM 795 CG LYS A 53 6.448 9.890 -14.992 1.00 0.00 C ATOM 796 CD LYS A 53 5.019 10.356 -15.221 1.00 0.00 C ATOM 797 CE LYS A 53 4.775 10.702 -16.680 1.00 0.00 C ATOM 798 NZ LYS A 53 3.324 10.714 -17.014 1.00 0.00 N ATOM 0 H LYS A 53 4.596 8.401 -13.255 1.00 0.00 H new ATOM 0 HA LYS A 53 7.392 7.663 -13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.033 10.296 -12.932 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.737 10.102 -13.297 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.141 10.617 -15.416 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.613 8.949 -15.516 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.326 9.574 -14.910 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.815 11.228 -14.600 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.206 11.679 -16.898 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.287 9.979 -17.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.201 10.954 -18.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.918 9.774 -16.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.838 11.422 -16.427 1.00 0.00 H new ATOM 812 N GLY A 54 6.565 7.097 -10.920 1.00 0.00 N ATOM 813 CA GLY A 54 6.844 6.901 -9.511 1.00 0.00 C ATOM 814 C GLY A 54 5.728 6.159 -8.801 1.00 0.00 C ATOM 815 O GLY A 54 4.609 6.659 -8.699 1.00 0.00 O ATOM 0 H GLY A 54 5.985 6.373 -11.345 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.775 6.344 -9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.994 7.870 -9.034 1.00 0.00 H new ATOM 819 N GLU A 55 6.033 4.958 -8.320 1.00 0.00 N ATOM 820 CA GLU A 55 5.050 4.140 -7.618 1.00 0.00 C ATOM 821 C GLU A 55 5.522 3.815 -6.205 1.00 0.00 C ATOM 822 O GLU A 55 6.687 4.025 -5.869 1.00 0.00 O ATOM 823 CB GLU A 55 4.786 2.847 -8.386 1.00 0.00 C ATOM 824 CG GLU A 55 3.313 2.497 -8.502 1.00 0.00 C ATOM 825 CD GLU A 55 2.771 2.700 -9.905 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.583 2.899 -10.833 1.00 0.00 O ATOM 827 OE2 GLU A 55 1.535 2.659 -10.075 1.00 0.00 O ATOM 0 H GLU A 55 6.955 4.529 -8.404 1.00 0.00 H new ATOM 0 HA GLU A 55 4.124 4.711 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.209 2.936 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.307 2.028 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.166 1.458 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.742 3.110 -7.804 1.00 0.00 H new ATOM 834 N ILE A 56 4.604 3.313 -5.381 1.00 0.00 N ATOM 835 CA ILE A 56 4.906 2.954 -3.998 1.00 0.00 C ATOM 836 C ILE A 56 3.860 1.967 -3.491 1.00 0.00 C ATOM 837 O ILE A 56 2.720 1.972 -3.945 1.00 0.00 O ATOM 838 CB ILE A 56 4.926 4.200 -3.075 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.226 4.994 -3.247 1.00 0.00 C ATOM 840 CG2 ILE A 56 4.742 3.800 -1.617 1.00 0.00 C ATOM 841 CD1 ILE A 56 7.456 4.284 -2.722 1.00 0.00 C ATOM 0 H ILE A 56 3.635 3.145 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 56 5.897 2.501 -3.976 1.00 0.00 H new ATOM 0 HB ILE A 56 4.093 4.839 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.369 5.212 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.125 5.951 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.760 4.692 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.786 3.291 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.549 3.131 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.334 4.911 -2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.337 4.090 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.584 3.339 -3.251 1.00 0.00 H new ATOM 853 N LEU A 57 4.246 1.086 -2.588 1.00 0.00 N ATOM 854 CA LEU A 57 3.304 0.110 -2.079 1.00 0.00 C ATOM 855 C LEU A 57 3.763 -0.486 -0.757 1.00 0.00 C ATOM 856 O LEU A 57 4.908 -0.910 -0.616 1.00 0.00 O ATOM 857 CB LEU A 57 3.094 -0.973 -3.128 1.00 0.00 C ATOM 858 CG LEU A 57 2.229 -2.138 -2.694 1.00 0.00 C ATOM 859 CD1 LEU A 57 0.901 -2.040 -3.401 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.911 -3.465 -2.990 1.00 0.00 C ATOM 0 H LEU A 57 5.187 1.026 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 57 2.356 0.610 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.645 -0.518 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.068 -1.358 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 57 2.072 -2.095 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.266 -2.873 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.417 -1.100 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.059 -2.077 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.268 -4.284 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.096 -3.548 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.858 -3.515 -2.453 1.00 0.00 H new ATOM 872 N GLU A 58 2.856 -0.508 0.213 1.00 0.00 N ATOM 873 CA GLU A 58 3.152 -1.060 1.526 1.00 0.00 C ATOM 874 C GLU A 58 2.193 -2.189 1.858 1.00 0.00 C ATOM 875 O GLU A 58 0.983 -2.067 1.669 1.00 0.00 O ATOM 876 CB GLU A 58 3.076 0.029 2.600 1.00 0.00 C ATOM 877 CG GLU A 58 3.127 1.443 2.044 1.00 0.00 C ATOM 878 CD GLU A 58 2.459 2.452 2.958 1.00 0.00 C ATOM 879 OE1 GLU A 58 2.834 2.514 4.148 1.00 0.00 O ATOM 880 OE2 GLU A 58 1.562 3.180 2.483 1.00 0.00 O ATOM 0 H GLU A 58 1.907 -0.148 0.112 1.00 0.00 H new ATOM 0 HA GLU A 58 4.167 -1.458 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.153 -0.096 3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.900 -0.106 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.167 1.731 1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.641 1.464 1.069 1.00 0.00 H new ATOM 887 N VAL A 59 2.743 -3.295 2.336 1.00 0.00 N ATOM 888 CA VAL A 59 1.941 -4.462 2.656 1.00 0.00 C ATOM 889 C VAL A 59 2.341 -5.067 3.998 1.00 0.00 C ATOM 890 O VAL A 59 3.507 -5.381 4.230 1.00 0.00 O ATOM 891 CB VAL A 59 2.053 -5.528 1.547 1.00 0.00 C ATOM 892 CG1 VAL A 59 3.421 -5.484 0.888 1.00 0.00 C ATOM 893 CG2 VAL A 59 1.760 -6.921 2.093 1.00 0.00 C ATOM 0 H VAL A 59 3.742 -3.407 2.510 1.00 0.00 H new ATOM 0 HA VAL A 59 0.905 -4.131 2.726 1.00 0.00 H new ATOM 0 HB VAL A 59 1.304 -5.300 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.475 -6.245 0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.580 -4.501 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.191 -5.674 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.846 -7.652 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.475 -7.161 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.749 -6.947 2.500 1.00 0.00 H new ATOM 903 N VAL A 60 1.353 -5.238 4.867 1.00 0.00 N ATOM 904 CA VAL A 60 1.569 -5.848 6.173 1.00 0.00 C ATOM 905 C VAL A 60 0.615 -7.021 6.360 1.00 0.00 C ATOM 906 O VAL A 60 -0.574 -6.833 6.617 1.00 0.00 O ATOM 907 CB VAL A 60 1.361 -4.838 7.319 1.00 0.00 C ATOM 908 CG1 VAL A 60 2.099 -5.293 8.568 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.814 -3.446 6.901 1.00 0.00 C ATOM 0 H VAL A 60 0.388 -4.961 4.689 1.00 0.00 H new ATOM 0 HA VAL A 60 2.602 -6.193 6.207 1.00 0.00 H new ATOM 0 HB VAL A 60 0.296 -4.792 7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.942 -4.569 9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.720 -6.266 8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.165 -5.370 8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.658 -2.750 7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.873 -3.470 6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.236 -3.120 6.036 1.00 0.00 H new ATOM 919 N SER A 61 1.125 -8.232 6.183 1.00 0.00 N ATOM 920 CA SER A 61 0.285 -9.415 6.282 1.00 0.00 C ATOM 921 C SER A 61 1.010 -10.577 6.943 1.00 0.00 C ATOM 922 O SER A 61 2.225 -10.547 7.130 1.00 0.00 O ATOM 923 CB SER A 61 -0.189 -9.831 4.889 1.00 0.00 C ATOM 924 OG SER A 61 -0.743 -8.731 4.187 1.00 0.00 O ATOM 0 H SER A 61 2.105 -8.419 5.972 1.00 0.00 H new ATOM 0 HA SER A 61 -0.570 -9.159 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.648 -10.242 4.325 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.933 -10.622 4.976 1.00 0.00 H new ATOM 0 HG SER A 61 -1.037 -9.024 3.299 1.00 0.00 H new ATOM 930 N ASP A 62 0.252 -11.619 7.260 1.00 0.00 N ATOM 931 CA ASP A 62 0.813 -12.817 7.876 1.00 0.00 C ATOM 932 C ASP A 62 0.602 -14.024 6.968 1.00 0.00 C ATOM 933 O ASP A 62 -0.507 -14.264 6.491 1.00 0.00 O ATOM 934 CB ASP A 62 0.172 -13.071 9.243 1.00 0.00 C ATOM 935 CG ASP A 62 -1.078 -12.243 9.462 1.00 0.00 C ATOM 936 OD1 ASP A 62 -0.952 -11.013 9.644 1.00 0.00 O ATOM 937 OD2 ASP A 62 -2.183 -12.825 9.460 1.00 0.00 O ATOM 0 H ASP A 62 -0.755 -11.660 7.101 1.00 0.00 H new ATOM 0 HA ASP A 62 1.883 -12.662 8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.076 -14.128 9.333 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.895 -12.846 10.027 1.00 0.00 H new ATOM 942 N CYS A 63 1.674 -14.765 6.707 1.00 0.00 N ATOM 943 CA CYS A 63 1.597 -15.931 5.833 1.00 0.00 C ATOM 944 C CYS A 63 2.730 -16.916 6.119 1.00 0.00 C ATOM 945 O CYS A 63 3.882 -16.515 6.287 1.00 0.00 O ATOM 946 CB CYS A 63 1.651 -15.492 4.366 1.00 0.00 C ATOM 947 SG CYS A 63 3.197 -14.688 3.892 1.00 0.00 S ATOM 0 H CYS A 63 2.603 -14.580 7.086 1.00 0.00 H new ATOM 0 HA CYS A 63 0.650 -16.434 6.029 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.499 -16.365 3.731 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.824 -14.808 4.172 1.00 0.00 H new ATOM 0 HG CYS A 63 2.982 -13.423 3.681 1.00 0.00 H new ATOM 953 N PRO A 64 2.417 -18.224 6.167 1.00 0.00 N ATOM 954 CA PRO A 64 3.417 -19.263 6.428 1.00 0.00 C ATOM 955 C PRO A 64 4.279 -19.556 5.204 1.00 0.00 C ATOM 956 O PRO A 64 5.417 -20.010 5.328 1.00 0.00 O ATOM 957 CB PRO A 64 2.566 -20.479 6.790 1.00 0.00 C ATOM 958 CG PRO A 64 1.290 -20.282 6.048 1.00 0.00 C ATOM 959 CD PRO A 64 1.067 -18.792 5.978 1.00 0.00 C ATOM 0 HA PRO A 64 4.123 -18.971 7.206 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.056 -21.407 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.394 -20.536 7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.351 -20.713 5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.463 -20.775 6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.639 -18.496 5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.379 -18.454 6.753 1.00 0.00 H new ATOM 967 N GLN A 65 3.730 -19.291 4.022 1.00 0.00 N ATOM 968 CA GLN A 65 4.449 -19.521 2.773 1.00 0.00 C ATOM 969 C GLN A 65 5.471 -18.417 2.523 1.00 0.00 C ATOM 970 O GLN A 65 5.832 -17.675 3.437 1.00 0.00 O ATOM 971 CB GLN A 65 3.466 -19.598 1.603 1.00 0.00 C ATOM 972 CG GLN A 65 3.172 -21.019 1.149 1.00 0.00 C ATOM 973 CD GLN A 65 4.210 -21.547 0.178 1.00 0.00 C ATOM 974 OE1 GLN A 65 4.841 -20.783 -0.553 1.00 0.00 O ATOM 975 NE2 GLN A 65 4.391 -22.863 0.165 1.00 0.00 N ATOM 0 H GLN A 65 2.789 -18.916 3.903 1.00 0.00 H new ATOM 0 HA GLN A 65 4.980 -20.470 2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.532 -19.117 1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.869 -19.033 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.128 -21.673 2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.190 -21.050 0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.846 -23.459 0.788 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.075 -23.277 -0.468 1.00 0.00 H new ATOM 984 N SER A 66 5.935 -18.313 1.281 1.00 0.00 N ATOM 985 CA SER A 66 6.918 -17.299 0.915 1.00 0.00 C ATOM 986 C SER A 66 6.611 -16.702 -0.454 1.00 0.00 C ATOM 987 O SER A 66 7.426 -15.970 -1.017 1.00 0.00 O ATOM 988 CB SER A 66 8.324 -17.902 0.914 1.00 0.00 C ATOM 989 OG SER A 66 9.304 -16.914 1.189 1.00 0.00 O ATOM 0 H SER A 66 5.646 -18.918 0.512 1.00 0.00 H new ATOM 0 HA SER A 66 6.868 -16.501 1.656 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.383 -18.695 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.526 -18.359 -0.055 1.00 0.00 H new ATOM 0 HG SER A 66 9.162 -16.140 0.604 1.00 0.00 H new ATOM 995 N ILE A 67 5.432 -17.015 -0.986 1.00 0.00 N ATOM 996 CA ILE A 67 5.024 -16.504 -2.290 1.00 0.00 C ATOM 997 C ILE A 67 3.876 -15.508 -2.156 1.00 0.00 C ATOM 998 O ILE A 67 3.716 -14.612 -2.986 1.00 0.00 O ATOM 999 CB ILE A 67 4.592 -17.642 -3.236 1.00 0.00 C ATOM 1000 CG1 ILE A 67 5.771 -18.581 -3.517 1.00 0.00 C ATOM 1001 CG2 ILE A 67 4.034 -17.070 -4.530 1.00 0.00 C ATOM 1002 CD1 ILE A 67 6.940 -17.909 -4.207 1.00 0.00 C ATOM 0 H ILE A 67 4.745 -17.619 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 67 5.893 -16.001 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 67 3.806 -18.220 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.115 -19.009 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.424 -19.409 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.733 -17.885 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.169 -16.445 -4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.799 -16.470 -5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.734 -18.638 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.614 -17.506 -5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.315 -17.099 -3.581 1.00 0.00 H new ATOM 1014 N ASN A 68 3.093 -15.665 -1.094 1.00 0.00 N ATOM 1015 CA ASN A 68 1.952 -14.789 -0.834 1.00 0.00 C ATOM 1016 C ASN A 68 2.356 -13.316 -0.871 1.00 0.00 C ATOM 1017 O ASN A 68 1.502 -12.431 -0.916 1.00 0.00 O ATOM 1018 CB ASN A 68 1.337 -15.129 0.524 1.00 0.00 C ATOM 1019 CG ASN A 68 1.129 -16.620 0.702 1.00 0.00 C ATOM 1020 OD1 ASN A 68 1.389 -17.172 1.771 1.00 0.00 O ATOM 1021 ND2 ASN A 68 0.665 -17.283 -0.351 1.00 0.00 N ATOM 0 H ASN A 68 3.228 -16.395 -0.394 1.00 0.00 H new ATOM 0 HA ASN A 68 1.215 -14.952 -1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.985 -14.757 1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.381 -14.616 0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.511 -18.290 -0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.463 -16.786 -1.218 1.00 0.00 H new ATOM 1028 N ASN A 69 3.662 -13.065 -0.860 1.00 0.00 N ATOM 1029 CA ASN A 69 4.191 -11.708 -0.904 1.00 0.00 C ATOM 1030 C ASN A 69 3.579 -10.906 -2.045 1.00 0.00 C ATOM 1031 O ASN A 69 3.722 -11.262 -3.215 1.00 0.00 O ATOM 1032 CB ASN A 69 5.713 -11.741 -1.058 1.00 0.00 C ATOM 1033 CG ASN A 69 6.398 -12.451 0.093 1.00 0.00 C ATOM 1034 OD1 ASN A 69 5.908 -13.462 0.596 1.00 0.00 O ATOM 1035 ND2 ASN A 69 7.544 -11.927 0.512 1.00 0.00 N ATOM 0 H ASN A 69 4.377 -13.791 -0.821 1.00 0.00 H new ATOM 0 HA ASN A 69 3.928 -11.220 0.034 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.970 -12.240 -1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.090 -10.721 -1.127 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.054 -12.364 1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.914 -11.088 0.066 1.00 0.00 H new ATOM 1042 N ILE A 70 2.903 -9.817 -1.696 1.00 0.00 N ATOM 1043 CA ILE A 70 2.314 -8.935 -2.695 1.00 0.00 C ATOM 1044 C ILE A 70 3.364 -8.538 -3.740 1.00 0.00 C ATOM 1045 O ILE A 70 3.143 -8.696 -4.946 1.00 0.00 O ATOM 1046 CB ILE A 70 1.718 -7.664 -2.051 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.863 -8.027 -0.832 1.00 0.00 C ATOM 1048 CG2 ILE A 70 0.897 -6.884 -3.064 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.235 -9.026 -1.123 1.00 0.00 C ATOM 0 H ILE A 70 2.750 -9.525 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 70 1.506 -9.483 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 70 2.541 -7.032 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.511 -8.432 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.415 -7.117 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.486 -5.993 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.533 -6.591 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.082 -7.509 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.793 -9.229 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.908 -8.617 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.205 -9.952 -1.493 1.00 0.00 H new ATOM 1061 N PRO A 71 4.552 -8.071 -3.296 1.00 0.00 N ATOM 1062 CA PRO A 71 5.632 -7.696 -4.210 1.00 0.00 C ATOM 1063 C PRO A 71 6.113 -8.879 -5.039 1.00 0.00 C ATOM 1064 O PRO A 71 6.699 -8.693 -6.104 1.00 0.00 O ATOM 1065 CB PRO A 71 6.750 -7.204 -3.284 1.00 0.00 C ATOM 1066 CG PRO A 71 6.069 -6.877 -2.004 1.00 0.00 C ATOM 1067 CD PRO A 71 4.937 -7.853 -1.889 1.00 0.00 C ATOM 0 HA PRO A 71 5.308 -6.945 -4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.512 -7.971 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.251 -6.330 -3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.754 -6.970 -1.161 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.703 -5.850 -2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.249 -8.779 -1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.112 -7.449 -1.302 1.00 0.00 H new ATOM 1075 N LEU A 72 5.873 -10.098 -4.550 1.00 0.00 N ATOM 1076 CA LEU A 72 6.281 -11.287 -5.286 1.00 0.00 C ATOM 1077 C LEU A 72 5.557 -11.349 -6.622 1.00 0.00 C ATOM 1078 O LEU A 72 6.144 -11.713 -7.641 1.00 0.00 O ATOM 1079 CB LEU A 72 6.005 -12.554 -4.483 1.00 0.00 C ATOM 1080 CG LEU A 72 6.894 -13.743 -4.852 1.00 0.00 C ATOM 1081 CD1 LEU A 72 7.442 -14.408 -3.600 1.00 0.00 C ATOM 1082 CD2 LEU A 72 6.125 -14.742 -5.701 1.00 0.00 C ATOM 0 H LEU A 72 5.406 -10.282 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 72 7.355 -11.224 -5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.135 -12.334 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.962 -12.838 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 72 7.736 -13.375 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.072 -15.252 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.032 -13.687 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.615 -14.763 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.774 -15.581 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.262 -15.106 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.786 -14.257 -6.616 1.00 0.00 H new ATOM 1094 N ASP A 73 4.281 -10.976 -6.613 1.00 0.00 N ATOM 1095 CA ASP A 73 3.494 -10.941 -7.837 1.00 0.00 C ATOM 1096 C ASP A 73 4.137 -9.979 -8.826 1.00 0.00 C ATOM 1097 O ASP A 73 4.327 -10.306 -9.999 1.00 0.00 O ATOM 1098 CB ASP A 73 2.057 -10.512 -7.539 1.00 0.00 C ATOM 1099 CG ASP A 73 1.297 -11.552 -6.738 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.759 -12.496 -7.351 1.00 0.00 O ATOM 1101 OD2 ASP A 73 1.244 -11.422 -5.496 1.00 0.00 O ATOM 0 H ASP A 73 3.773 -10.695 -5.774 1.00 0.00 H new ATOM 0 HA ASP A 73 3.468 -11.940 -8.271 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.068 -9.571 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.534 -10.327 -8.477 1.00 0.00 H new ATOM 1106 N ALA A 74 4.518 -8.808 -8.323 1.00 0.00 N ATOM 1107 CA ALA A 74 5.188 -7.808 -9.145 1.00 0.00 C ATOM 1108 C ALA A 74 6.601 -8.261 -9.496 1.00 0.00 C ATOM 1109 O ALA A 74 7.184 -7.807 -10.480 1.00 0.00 O ATOM 1110 CB ALA A 74 5.222 -6.468 -8.426 1.00 0.00 C ATOM 0 H ALA A 74 4.374 -8.530 -7.352 1.00 0.00 H new ATOM 0 HA ALA A 74 4.626 -7.691 -10.071 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.725 -5.732 -9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.203 -6.137 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.762 -6.574 -7.485 1.00 0.00 H new ATOM 1116 N ARG A 75 7.150 -9.151 -8.673 1.00 0.00 N ATOM 1117 CA ARG A 75 8.489 -9.685 -8.898 1.00 0.00 C ATOM 1118 C ARG A 75 8.486 -10.660 -10.070 1.00 0.00 C ATOM 1119 O ARG A 75 9.427 -10.696 -10.865 1.00 0.00 O ATOM 1120 CB ARG A 75 9.003 -10.383 -7.634 1.00 0.00 C ATOM 1121 CG ARG A 75 10.311 -11.131 -7.834 1.00 0.00 C ATOM 1122 CD ARG A 75 11.508 -10.284 -7.436 1.00 0.00 C ATOM 1123 NE ARG A 75 12.107 -10.735 -6.182 1.00 0.00 N ATOM 1124 CZ ARG A 75 13.410 -10.684 -5.927 1.00 0.00 C ATOM 1125 NH1 ARG A 75 14.250 -10.204 -6.834 1.00 0.00 N ATOM 1126 NH2 ARG A 75 13.875 -11.115 -4.762 1.00 0.00 N ATOM 0 H ARG A 75 6.686 -9.518 -7.842 1.00 0.00 H new ATOM 0 HA ARG A 75 9.154 -8.855 -9.137 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.137 -9.639 -6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.245 -11.083 -7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.301 -12.047 -7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.405 -11.427 -8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 75 12.256 -10.319 -8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.198 -9.244 -7.336 1.00 0.00 H new ATOM 0 HE ARG A 75 11.490 -11.110 -5.462 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.897 -9.872 -7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 75 15.250 -10.167 -6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.232 -11.486 -4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.875 -11.076 -4.566 1.00 0.00 H new ATOM 1140 N ASN A 76 7.422 -11.453 -10.166 1.00 0.00 N ATOM 1141 CA ASN A 76 7.285 -12.428 -11.240 1.00 0.00 C ATOM 1142 C ASN A 76 7.381 -11.748 -12.599 1.00 0.00 C ATOM 1143 O ASN A 76 8.256 -12.070 -13.403 1.00 0.00 O ATOM 1144 CB ASN A 76 5.951 -13.168 -11.117 1.00 0.00 C ATOM 1145 CG ASN A 76 5.978 -14.525 -11.793 1.00 0.00 C ATOM 1146 OD1 ASN A 76 5.019 -14.919 -12.455 1.00 0.00 O ATOM 1147 ND2 ASN A 76 7.081 -15.247 -11.631 1.00 0.00 N ATOM 0 H ASN A 76 6.641 -11.438 -9.510 1.00 0.00 H new ATOM 0 HA ASN A 76 8.099 -13.148 -11.155 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.705 -13.295 -10.063 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.160 -12.561 -11.558 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.156 -16.167 -12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.853 -14.881 -11.073 1.00 0.00 H new ATOM 1154 N HIS A 77 6.486 -10.796 -12.845 1.00 0.00 N ATOM 1155 CA HIS A 77 6.493 -10.055 -14.101 1.00 0.00 C ATOM 1156 C HIS A 77 7.713 -9.143 -14.171 1.00 0.00 C ATOM 1157 O HIS A 77 8.407 -9.092 -15.187 1.00 0.00 O ATOM 1158 CB HIS A 77 5.211 -9.233 -14.246 1.00 0.00 C ATOM 1159 CG HIS A 77 3.991 -10.067 -14.490 1.00 0.00 C ATOM 1160 ND1 HIS A 77 3.208 -10.514 -13.452 1.00 0.00 N ATOM 1161 CD2 HIS A 77 3.466 -10.504 -15.661 1.00 0.00 C ATOM 1162 CE1 HIS A 77 2.231 -11.208 -14.008 1.00 0.00 C ATOM 1163 NE2 HIS A 77 2.347 -11.229 -15.344 1.00 0.00 N ATOM 0 H HIS A 77 5.750 -10.521 -12.194 1.00 0.00 H new ATOM 0 HA HIS A 77 6.542 -10.770 -14.922 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.063 -8.643 -13.342 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.331 -8.529 -15.070 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.854 -10.317 -16.651 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.440 -11.696 -13.457 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.721 -11.696 -16.000 1.00 0.00 H new ATOM 1171 N GLY A 78 7.981 -8.441 -13.073 1.00 0.00 N ATOM 1172 CA GLY A 78 9.136 -7.565 -13.012 1.00 0.00 C ATOM 1173 C GLY A 78 8.767 -6.097 -12.919 1.00 0.00 C ATOM 1174 O GLY A 78 8.673 -5.411 -13.938 1.00 0.00 O ATOM 0 H GLY A 78 7.417 -8.464 -12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.744 -7.836 -12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.751 -7.723 -13.898 1.00 0.00 H new ATOM 1178 N TYR A 79 8.575 -5.609 -11.696 1.00 0.00 N ATOM 1179 CA TYR A 79 8.246 -4.203 -11.477 1.00 0.00 C ATOM 1180 C TYR A 79 9.524 -3.374 -11.360 1.00 0.00 C ATOM 1181 O TYR A 79 10.489 -3.606 -12.088 1.00 0.00 O ATOM 1182 CB TYR A 79 7.384 -4.040 -10.218 1.00 0.00 C ATOM 1183 CG TYR A 79 6.278 -3.013 -10.360 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.484 -1.826 -11.055 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.033 -3.224 -9.782 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.477 -0.888 -11.180 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.022 -2.290 -9.901 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.249 -1.124 -10.602 1.00 0.00 C ATOM 1189 OH TYR A 79 3.244 -0.192 -10.723 1.00 0.00 O ATOM 0 H TYR A 79 8.641 -6.165 -10.843 1.00 0.00 H new ATOM 0 HA TYR A 79 7.674 -3.844 -12.332 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.942 -5.004 -9.965 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.026 -3.755 -9.384 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.447 -1.634 -11.504 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.852 -4.134 -9.230 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.652 0.026 -11.728 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.059 -2.472 -9.447 1.00 0.00 H new ATOM 0 HH TYR A 79 3.252 0.182 -11.629 1.00 0.00 H new ATOM 1199 N THR A 80 9.531 -2.412 -10.440 1.00 0.00 N ATOM 1200 CA THR A 80 10.696 -1.560 -10.238 1.00 0.00 C ATOM 1201 C THR A 80 11.541 -2.058 -9.071 1.00 0.00 C ATOM 1202 O THR A 80 12.623 -2.611 -9.267 1.00 0.00 O ATOM 1203 CB THR A 80 10.255 -0.118 -9.989 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.017 0.140 -10.626 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.252 0.908 -10.481 1.00 0.00 C ATOM 0 H THR A 80 8.744 -2.205 -9.825 1.00 0.00 H new ATOM 0 HA THR A 80 11.306 -1.597 -11.141 1.00 0.00 H new ATOM 0 HB THR A 80 10.170 -0.022 -8.907 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.179 0.455 -11.540 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.876 1.910 -10.273 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.204 0.764 -9.970 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.395 0.790 -11.555 1.00 0.00 H new ATOM 1213 N VAL A 81 11.037 -1.864 -7.855 1.00 0.00 N ATOM 1214 CA VAL A 81 11.747 -2.295 -6.657 1.00 0.00 C ATOM 1215 C VAL A 81 10.853 -3.151 -5.764 1.00 0.00 C ATOM 1216 O VAL A 81 9.780 -2.720 -5.349 1.00 0.00 O ATOM 1217 CB VAL A 81 12.266 -1.093 -5.846 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.138 -1.562 -4.691 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.030 -0.130 -6.743 1.00 0.00 C ATOM 0 H VAL A 81 10.141 -1.412 -7.675 1.00 0.00 H new ATOM 0 HA VAL A 81 12.597 -2.890 -6.992 1.00 0.00 H new ATOM 0 HB VAL A 81 11.408 -0.563 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.495 -0.698 -4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.555 -2.206 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.990 -2.119 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.388 0.712 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.879 -0.646 -7.191 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.370 0.235 -7.531 1.00 0.00 H new ATOM 1229 N LEU A 82 11.314 -4.361 -5.466 1.00 0.00 N ATOM 1230 CA LEU A 82 10.569 -5.288 -4.621 1.00 0.00 C ATOM 1231 C LEU A 82 11.409 -5.720 -3.421 1.00 0.00 C ATOM 1232 O LEU A 82 12.285 -6.575 -3.543 1.00 0.00 O ATOM 1233 CB LEU A 82 10.149 -6.530 -5.421 1.00 0.00 C ATOM 1234 CG LEU A 82 9.235 -6.278 -6.628 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.075 -5.369 -6.250 1.00 0.00 C ATOM 1236 CD2 LEU A 82 10.025 -5.689 -7.788 1.00 0.00 C ATOM 0 H LEU A 82 12.207 -4.725 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 82 9.678 -4.772 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.050 -7.033 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.642 -7.219 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 82 8.824 -7.236 -6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.442 -5.205 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.489 -5.837 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.462 -4.413 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.358 -5.518 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.471 -4.743 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.812 -6.383 -8.082 1.00 0.00 H new ATOM 1248 N ASP A 83 11.133 -5.126 -2.264 1.00 0.00 N ATOM 1249 CA ASP A 83 11.856 -5.459 -1.041 1.00 0.00 C ATOM 1250 C ASP A 83 10.885 -5.893 0.051 1.00 0.00 C ATOM 1251 O ASP A 83 9.697 -5.581 -0.011 1.00 0.00 O ATOM 1252 CB ASP A 83 12.677 -4.258 -0.564 1.00 0.00 C ATOM 1253 CG ASP A 83 14.126 -4.613 -0.301 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.914 -4.654 -1.269 1.00 0.00 O ATOM 1255 OD2 ASP A 83 14.475 -4.850 0.875 1.00 0.00 O ATOM 0 H ASP A 83 10.414 -4.412 -2.148 1.00 0.00 H new ATOM 0 HA ASP A 83 12.533 -6.286 -1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.630 -3.469 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.233 -3.858 0.348 1.00 0.00 H new ATOM 1260 N ILE A 84 11.386 -6.632 1.038 1.00 0.00 N ATOM 1261 CA ILE A 84 10.541 -7.110 2.131 1.00 0.00 C ATOM 1262 C ILE A 84 11.246 -7.001 3.479 1.00 0.00 C ATOM 1263 O ILE A 84 12.435 -6.692 3.554 1.00 0.00 O ATOM 1264 CB ILE A 84 10.096 -8.574 1.921 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.261 -9.543 2.171 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.521 -8.769 0.525 1.00 0.00 C ATOM 1267 CD1 ILE A 84 12.361 -9.470 1.133 1.00 0.00 C ATOM 0 H ILE A 84 12.365 -6.911 1.104 1.00 0.00 H new ATOM 0 HA ILE A 84 9.661 -6.467 2.131 1.00 0.00 H new ATOM 0 HB ILE A 84 9.312 -8.795 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.688 -9.335 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.872 -10.561 2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.214 -9.807 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.658 -8.117 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.279 -8.522 -0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.145 -10.185 1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 84 11.951 -9.708 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.780 -8.464 1.117 1.00 0.00 H new ATOM 1279 N GLN A 85 10.489 -7.260 4.542 1.00 0.00 N ATOM 1280 CA GLN A 85 11.013 -7.215 5.902 1.00 0.00 C ATOM 1281 C GLN A 85 10.191 -8.121 6.814 1.00 0.00 C ATOM 1282 O GLN A 85 9.030 -8.411 6.526 1.00 0.00 O ATOM 1283 CB GLN A 85 10.993 -5.779 6.430 1.00 0.00 C ATOM 1284 CG GLN A 85 12.261 -4.999 6.121 1.00 0.00 C ATOM 1285 CD GLN A 85 12.196 -3.565 6.606 1.00 0.00 C ATOM 1286 OE1 GLN A 85 12.534 -3.269 7.753 1.00 0.00 O ATOM 1287 NE2 GLN A 85 11.762 -2.663 5.733 1.00 0.00 N ATOM 0 H GLN A 85 9.501 -7.506 4.485 1.00 0.00 H new ATOM 0 HA GLN A 85 12.044 -7.570 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.140 -5.254 6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.843 -5.800 7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.112 -5.497 6.585 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.435 -5.007 5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.492 -2.952 4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.699 -1.681 6.003 1.00 0.00 H new ATOM 1296 N GLN A 86 10.793 -8.565 7.911 1.00 0.00 N ATOM 1297 CA GLN A 86 10.105 -9.444 8.853 1.00 0.00 C ATOM 1298 C GLN A 86 10.353 -9.011 10.294 1.00 0.00 C ATOM 1299 O GLN A 86 11.384 -8.412 10.604 1.00 0.00 O ATOM 1300 CB GLN A 86 10.560 -10.894 8.659 1.00 0.00 C ATOM 1301 CG GLN A 86 11.959 -11.026 8.078 1.00 0.00 C ATOM 1302 CD GLN A 86 12.715 -12.213 8.642 1.00 0.00 C ATOM 1303 OE1 GLN A 86 12.438 -13.361 8.296 1.00 0.00 O ATOM 1304 NE2 GLN A 86 13.676 -11.940 9.516 1.00 0.00 N ATOM 0 H GLN A 86 11.752 -8.333 8.171 1.00 0.00 H new ATOM 0 HA GLN A 86 9.036 -9.374 8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 86 10.526 -11.407 9.620 1.00 0.00 H new ATOM 0 HB3 GLN A 86 9.854 -11.401 8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.891 -11.125 6.995 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.520 -10.113 8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 86 13.871 -10.973 9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 86 14.219 -12.698 9.930 1.00 0.00 H new ATOM 1313 N ASP A 87 9.402 -9.320 11.172 1.00 0.00 N ATOM 1314 CA ASP A 87 9.523 -8.971 12.583 1.00 0.00 C ATOM 1315 C ASP A 87 9.420 -10.219 13.454 1.00 0.00 C ATOM 1316 O ASP A 87 10.427 -10.749 13.921 1.00 0.00 O ATOM 1317 CB ASP A 87 8.436 -7.968 12.977 1.00 0.00 C ATOM 1318 CG ASP A 87 8.858 -7.077 14.128 1.00 0.00 C ATOM 1319 OD1 ASP A 87 9.480 -7.594 15.081 1.00 0.00 O ATOM 1320 OD2 ASP A 87 8.566 -5.863 14.079 1.00 0.00 O ATOM 0 H ASP A 87 8.541 -9.811 10.931 1.00 0.00 H new ATOM 0 HA ASP A 87 10.500 -8.514 12.741 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.188 -7.349 12.115 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.530 -8.508 13.253 1.00 0.00 H new ATOM 1325 N GLY A 88 8.194 -10.688 13.651 1.00 0.00 N ATOM 1326 CA GLY A 88 7.970 -11.883 14.443 1.00 0.00 C ATOM 1327 C GLY A 88 6.895 -12.766 13.837 1.00 0.00 C ATOM 1328 O GLY A 88 7.119 -13.387 12.797 1.00 0.00 O ATOM 0 H GLY A 88 7.348 -10.260 13.275 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.900 -12.446 14.523 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.680 -11.600 15.455 1.00 0.00 H new ATOM 1332 N PRO A 89 5.697 -12.814 14.443 1.00 0.00 N ATOM 1333 CA PRO A 89 4.585 -13.615 13.933 1.00 0.00 C ATOM 1334 C PRO A 89 3.926 -12.968 12.719 1.00 0.00 C ATOM 1335 O PRO A 89 2.859 -13.396 12.278 1.00 0.00 O ATOM 1336 CB PRO A 89 3.595 -13.672 15.110 1.00 0.00 C ATOM 1337 CG PRO A 89 4.287 -13.017 16.264 1.00 0.00 C ATOM 1338 CD PRO A 89 5.327 -12.111 15.675 1.00 0.00 C ATOM 0 HA PRO A 89 4.916 -14.598 13.599 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.668 -13.153 14.866 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.330 -14.702 15.348 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.580 -12.453 16.872 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.744 -13.761 16.916 1.00 0.00 H new ATOM 0 HD2 PRO A 89 4.931 -11.116 15.471 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.180 -11.984 16.342 1.00 0.00 H new ATOM 1346 N THR A 90 4.563 -11.924 12.190 1.00 0.00 N ATOM 1347 CA THR A 90 4.038 -11.215 11.028 1.00 0.00 C ATOM 1348 C THR A 90 5.158 -10.860 10.059 1.00 0.00 C ATOM 1349 O THR A 90 6.338 -11.013 10.374 1.00 0.00 O ATOM 1350 CB THR A 90 3.306 -9.944 11.468 1.00 0.00 C ATOM 1351 OG1 THR A 90 4.195 -9.056 12.122 1.00 0.00 O ATOM 1352 CG2 THR A 90 2.148 -10.209 12.405 1.00 0.00 C ATOM 0 H THR A 90 5.442 -11.552 12.549 1.00 0.00 H new ATOM 0 HA THR A 90 3.334 -11.873 10.518 1.00 0.00 H new ATOM 0 HB THR A 90 2.913 -9.507 10.550 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.710 -8.249 12.394 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.676 -9.265 12.676 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.419 -10.851 11.910 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.514 -10.703 13.305 1.00 0.00 H new ATOM 1360 N ILE A 91 4.781 -10.383 8.877 1.00 0.00 N ATOM 1361 CA ILE A 91 5.752 -10.017 7.854 1.00 0.00 C ATOM 1362 C ILE A 91 5.213 -8.903 6.960 1.00 0.00 C ATOM 1363 O ILE A 91 4.051 -8.927 6.556 1.00 0.00 O ATOM 1364 CB ILE A 91 6.126 -11.235 6.984 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.261 -10.872 6.023 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.907 -11.740 6.222 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.928 -12.072 5.385 1.00 0.00 C ATOM 0 H ILE A 91 3.808 -10.241 8.604 1.00 0.00 H new ATOM 0 HA ILE A 91 6.644 -9.660 8.368 1.00 0.00 H new ATOM 0 HB ILE A 91 6.473 -12.037 7.635 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.867 -10.227 5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.012 -10.295 6.563 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.189 -12.599 5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.132 -12.035 6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.527 -10.948 5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.721 -11.735 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.353 -12.708 6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.191 -12.638 4.816 1.00 0.00 H new ATOM 1379 N ARG A 92 6.057 -7.923 6.654 1.00 0.00 N ATOM 1380 CA ARG A 92 5.644 -6.809 5.816 1.00 0.00 C ATOM 1381 C ARG A 92 6.610 -6.601 4.654 1.00 0.00 C ATOM 1382 O ARG A 92 7.826 -6.702 4.815 1.00 0.00 O ATOM 1383 CB ARG A 92 5.535 -5.529 6.652 1.00 0.00 C ATOM 1384 CG ARG A 92 6.692 -4.560 6.460 1.00 0.00 C ATOM 1385 CD ARG A 92 6.561 -3.351 7.369 1.00 0.00 C ATOM 1386 NE ARG A 92 7.820 -2.621 7.496 1.00 0.00 N ATOM 1387 CZ ARG A 92 8.090 -1.782 8.491 1.00 0.00 C ATOM 1388 NH1 ARG A 92 7.192 -1.564 9.443 1.00 0.00 N ATOM 1389 NH2 ARG A 92 9.259 -1.158 8.535 1.00 0.00 N ATOM 0 H ARG A 92 7.025 -7.879 6.973 1.00 0.00 H new ATOM 0 HA ARG A 92 4.665 -7.046 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.604 -5.021 6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.474 -5.800 7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.633 -5.070 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.726 -4.233 5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.794 -2.684 6.976 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.228 -3.674 8.356 1.00 0.00 H new ATOM 0 HE ARG A 92 8.533 -2.763 6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.291 -2.041 9.413 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.403 -0.920 10.205 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.952 -1.322 7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.465 -0.514 9.299 1.00 0.00 H new ATOM 1403 N TYR A 93 6.057 -6.289 3.490 1.00 0.00 N ATOM 1404 CA TYR A 93 6.857 -6.025 2.305 1.00 0.00 C ATOM 1405 C TYR A 93 6.526 -4.643 1.751 1.00 0.00 C ATOM 1406 O TYR A 93 5.550 -4.020 2.166 1.00 0.00 O ATOM 1407 CB TYR A 93 6.604 -7.089 1.235 1.00 0.00 C ATOM 1408 CG TYR A 93 5.947 -8.350 1.756 1.00 0.00 C ATOM 1409 CD1 TYR A 93 6.676 -9.294 2.465 1.00 0.00 C ATOM 1410 CD2 TYR A 93 4.601 -8.600 1.523 1.00 0.00 C ATOM 1411 CE1 TYR A 93 6.079 -10.449 2.933 1.00 0.00 C ATOM 1412 CE2 TYR A 93 3.997 -9.749 1.993 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.740 -10.671 2.697 1.00 0.00 C ATOM 1414 OH TYR A 93 4.142 -11.817 3.166 1.00 0.00 O ATOM 0 H TYR A 93 5.051 -6.213 3.342 1.00 0.00 H new ATOM 0 HA TYR A 93 7.910 -6.058 2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.975 -6.661 0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.554 -7.353 0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.726 -9.124 2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.017 -7.883 0.965 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.660 -11.175 3.482 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.947 -9.924 1.810 1.00 0.00 H new ATOM 0 HH TYR A 93 4.551 -12.598 2.738 1.00 0.00 H new ATOM 1424 N LEU A 94 7.364 -4.148 0.851 1.00 0.00 N ATOM 1425 CA LEU A 94 7.141 -2.835 0.254 1.00 0.00 C ATOM 1426 C LEU A 94 7.815 -2.725 -1.112 1.00 0.00 C ATOM 1427 O LEU A 94 8.900 -3.265 -1.325 1.00 0.00 O ATOM 1428 CB LEU A 94 7.665 -1.735 1.180 1.00 0.00 C ATOM 1429 CG LEU A 94 8.842 -2.141 2.069 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.912 -1.062 2.062 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.370 -2.416 3.490 1.00 0.00 C ATOM 0 H LEU A 94 8.199 -4.630 0.519 1.00 0.00 H new ATOM 0 HA LEU A 94 6.067 -2.710 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.967 -0.882 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.847 -1.398 1.818 1.00 0.00 H new ATOM 0 HG LEU A 94 9.275 -3.058 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.741 -1.368 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.272 -0.914 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.491 -0.129 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.221 -2.703 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.911 -1.517 3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.639 -3.225 3.481 1.00 0.00 H new ATOM 1443 N ILE A 95 7.174 -2.002 -2.028 1.00 0.00 N ATOM 1444 CA ILE A 95 7.728 -1.789 -3.362 1.00 0.00 C ATOM 1445 C ILE A 95 7.721 -0.301 -3.710 1.00 0.00 C ATOM 1446 O ILE A 95 6.873 0.452 -3.234 1.00 0.00 O ATOM 1447 CB ILE A 95 6.972 -2.605 -4.444 1.00 0.00 C ATOM 1448 CG1 ILE A 95 5.955 -1.739 -5.206 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.269 -3.794 -3.810 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.500 -1.145 -6.489 1.00 0.00 C ATOM 0 H ILE A 95 6.271 -1.554 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 95 8.758 -2.146 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 95 7.711 -2.961 -5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.079 -2.344 -5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.620 -0.931 -4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.742 -4.358 -4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.005 -4.437 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.555 -3.440 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.726 -0.547 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.358 -0.512 -6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.809 -1.947 -7.159 1.00 0.00 H new ATOM 1462 N GLN A 96 8.687 0.119 -4.520 1.00 0.00 N ATOM 1463 CA GLN A 96 8.798 1.517 -4.915 1.00 0.00 C ATOM 1464 C GLN A 96 9.253 1.635 -6.364 1.00 0.00 C ATOM 1465 O GLN A 96 9.890 0.728 -6.898 1.00 0.00 O ATOM 1466 CB GLN A 96 9.788 2.246 -4.004 1.00 0.00 C ATOM 1467 CG GLN A 96 11.156 1.587 -3.943 1.00 0.00 C ATOM 1468 CD GLN A 96 12.223 2.506 -3.382 1.00 0.00 C ATOM 1469 OE1 GLN A 96 12.832 2.212 -2.354 1.00 0.00 O ATOM 1470 NE2 GLN A 96 12.456 3.626 -4.056 1.00 0.00 N ATOM 0 H GLN A 96 9.404 -0.489 -4.915 1.00 0.00 H new ATOM 0 HA GLN A 96 7.814 1.976 -4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.903 3.272 -4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.373 2.297 -2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.095 0.689 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.446 1.268 -4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.927 3.830 -4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.164 4.282 -3.726 1.00 0.00 H new ATOM 1479 N LYS A 97 8.931 2.759 -6.992 1.00 0.00 N ATOM 1480 CA LYS A 97 9.324 2.994 -8.375 1.00 0.00 C ATOM 1481 C LYS A 97 9.883 4.404 -8.548 1.00 0.00 C ATOM 1482 O LYS A 97 9.336 5.337 -7.924 1.00 0.00 O ATOM 1483 CB LYS A 97 8.134 2.783 -9.315 1.00 0.00 C ATOM 1484 CG LYS A 97 8.427 3.143 -10.762 1.00 0.00 C ATOM 1485 CD LYS A 97 7.366 2.591 -11.702 1.00 0.00 C ATOM 1486 CE LYS A 97 7.951 2.247 -13.062 1.00 0.00 C ATOM 1487 NZ LYS A 97 7.474 0.925 -13.555 1.00 0.00 N ATOM 1488 OXT LYS A 97 10.863 4.562 -9.306 1.00 0.00 O ATOM 0 H LYS A 97 8.401 3.520 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 97 10.105 2.278 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.824 1.739 -9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.294 3.382 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.477 4.227 -10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.404 2.751 -11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.917 1.701 -11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.568 3.324 -11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.680 3.021 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.039 2.239 -12.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.635 0.858 -14.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.996 0.166 -13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.458 0.827 -13.357 1.00 0.00 H new TER 1502 LYS A 97