USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 890 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 34 THR OG1 : rot 100:sc= 1.13 USER MOD Set 1.2: A 38 CYS SG : rot -153:sc= 1.84 USER MOD Set 1.3: A 41 CYS SG : rot -120:sc= 0.0648 USER MOD Set 2.1: A 9 CYS SG : rot 5:sc= -1.53! USER MOD Set 2.2: A 14 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 112:sc= 0.0623 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -1.02 X(o=-1,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.00558) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.21) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 154:sc= -0.405 (180deg=-1.8) USER MOD Single : A 82 THR OG1 : rot 83:sc= 1.02 USER MOD Single : A 87 LYS NZ :NH3+ -176:sc= 0.673 (180deg=0.665) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -125:sc= -0.378 (180deg=-3.16!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 72:sc= 1.01 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=-0.049) USER MOD Single : A 112 THR OG1 : rot 100:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.094 8.818 17.004 1.00 0.00 N ATOM 2 CA ALA A 1 -12.358 7.659 16.540 1.00 0.00 C ATOM 3 C ALA A 1 -12.419 7.548 14.975 1.00 0.00 C ATOM 4 O ALA A 1 -13.320 6.979 14.352 1.00 0.00 O ATOM 5 CB ALA A 1 -13.012 6.471 17.284 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.040 8.871 18.041 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.682 9.679 16.591 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.089 8.737 16.713 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.290 7.702 16.755 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.518 5.544 16.994 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.911 6.615 18.360 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.069 6.415 17.023 1.00 0.00 H new ATOM 12 N GLU A 2 -11.381 8.132 14.328 1.00 0.00 N ATOM 13 CA GLU A 2 -11.351 8.299 12.841 1.00 0.00 C ATOM 14 C GLU A 2 -9.893 8.443 12.372 1.00 0.00 C ATOM 15 O GLU A 2 -9.200 9.452 12.548 1.00 0.00 O ATOM 16 CB GLU A 2 -12.208 9.517 12.388 1.00 0.00 C ATOM 17 CG GLU A 2 -12.656 9.412 10.966 1.00 0.00 C ATOM 18 CD GLU A 2 -13.398 10.675 10.494 1.00 0.00 C ATOM 19 OE1 GLU A 2 -14.584 10.843 10.743 1.00 0.00 O ATOM 20 OE2 GLU A 2 -12.627 11.565 9.804 1.00 0.00 O ATOM 0 H GLU A 2 -10.555 8.496 14.803 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.788 7.413 12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.082 9.601 13.034 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.628 10.431 12.515 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.790 9.241 10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.310 8.547 10.856 1.00 0.00 H new ATOM 28 N GLU A 3 -9.453 7.296 11.766 1.00 0.00 N ATOM 29 CA GLU A 3 -8.077 7.080 11.294 1.00 0.00 C ATOM 30 C GLU A 3 -7.945 5.965 10.248 1.00 0.00 C ATOM 31 O GLU A 3 -8.768 5.029 10.160 1.00 0.00 O ATOM 32 CB GLU A 3 -7.125 6.731 12.480 1.00 0.00 C ATOM 33 CG GLU A 3 -7.281 5.336 13.164 1.00 0.00 C ATOM 34 CD GLU A 3 -6.276 5.081 14.318 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.611 6.014 14.841 1.00 0.00 O ATOM 36 OE2 GLU A 3 -6.063 3.743 14.567 1.00 0.00 O ATOM 0 H GLU A 3 -10.063 6.496 11.597 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.796 8.023 10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.100 6.812 12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.255 7.495 13.247 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.295 5.245 13.553 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.158 4.558 12.411 1.00 0.00 H new ATOM 44 N GLY A 4 -6.841 6.052 9.481 1.00 0.00 N ATOM 45 CA GLY A 4 -6.286 4.925 8.663 1.00 0.00 C ATOM 46 C GLY A 4 -5.882 3.683 9.448 1.00 0.00 C ATOM 47 O GLY A 4 -5.373 3.748 10.589 1.00 0.00 O ATOM 0 H GLY A 4 -6.295 6.910 9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.030 4.638 7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.415 5.289 8.118 1.00 0.00 H new ATOM 51 N GLN A 5 -5.805 2.525 8.787 1.00 0.00 N ATOM 52 CA GLN A 5 -5.642 1.193 9.410 1.00 0.00 C ATOM 53 C GLN A 5 -4.899 0.272 8.377 1.00 0.00 C ATOM 54 O GLN A 5 -5.306 0.102 7.217 1.00 0.00 O ATOM 55 CB GLN A 5 -7.082 0.682 9.870 1.00 0.00 C ATOM 56 CG GLN A 5 -8.144 0.324 8.889 1.00 0.00 C ATOM 57 CD GLN A 5 -9.588 0.252 9.353 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.995 -0.704 10.020 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.413 1.256 9.128 1.00 0.00 N ATOM 0 H GLN A 5 -5.855 2.479 7.769 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.027 1.200 10.310 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.919 -0.198 10.492 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.498 1.455 10.515 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.097 1.048 8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.886 -0.647 8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.102 2.058 8.580 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.362 1.230 9.502 1.00 0.00 H new ATOM 68 N VAL A 6 -3.759 -0.232 8.826 1.00 0.00 N ATOM 69 CA VAL A 6 -2.854 -1.227 8.192 1.00 0.00 C ATOM 70 C VAL A 6 -3.291 -2.742 8.509 1.00 0.00 C ATOM 71 O VAL A 6 -3.668 -3.072 9.625 1.00 0.00 O ATOM 72 CB VAL A 6 -1.357 -0.924 8.592 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.420 -1.860 7.819 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.923 0.549 8.380 1.00 0.00 C ATOM 0 H VAL A 6 -3.393 0.063 9.731 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.938 -1.127 7.110 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.288 -1.102 9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.613 -1.650 8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.658 -2.895 8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.548 -1.701 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.118 0.668 8.680 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.030 0.812 7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.552 1.204 8.983 1.00 0.00 H new ATOM 84 N ILE A 7 -3.382 -3.567 7.443 1.00 0.00 N ATOM 85 CA ILE A 7 -3.899 -4.987 7.372 1.00 0.00 C ATOM 86 C ILE A 7 -2.854 -5.872 6.647 1.00 0.00 C ATOM 87 O ILE A 7 -2.328 -5.600 5.567 1.00 0.00 O ATOM 88 CB ILE A 7 -5.409 -5.001 6.968 1.00 0.00 C ATOM 89 CG1 ILE A 7 -6.297 -5.993 7.693 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.791 -4.937 5.453 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.995 -7.468 7.590 1.00 0.00 C ATOM 0 H ILE A 7 -3.075 -3.248 6.524 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.970 -5.495 8.334 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.633 -4.005 7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.287 -5.730 8.751 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.316 -5.842 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.876 -4.956 5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.401 -4.017 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.362 -5.794 4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.728 -8.031 8.168 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.042 -7.777 6.546 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.997 -7.663 7.982 1.00 0.00 H new ATOM 103 N ALA A 8 -2.499 -6.997 7.283 1.00 0.00 N ATOM 104 CA ALA A 8 -1.916 -8.195 6.614 1.00 0.00 C ATOM 105 C ALA A 8 -2.711 -8.910 5.455 1.00 0.00 C ATOM 106 O ALA A 8 -3.906 -9.255 5.523 1.00 0.00 O ATOM 107 CB ALA A 8 -1.463 -9.175 7.711 1.00 0.00 C ATOM 0 H ALA A 8 -2.605 -7.114 8.291 1.00 0.00 H new ATOM 0 HA ALA A 8 -1.088 -7.800 6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.031 -10.063 7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.716 -8.694 8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.321 -9.462 8.319 1.00 0.00 H new ATOM 113 N CYS A 9 -1.890 -9.240 4.456 1.00 0.00 N ATOM 114 CA CYS A 9 -2.340 -9.763 3.159 1.00 0.00 C ATOM 115 C CYS A 9 -1.285 -10.840 2.661 1.00 0.00 C ATOM 116 O CYS A 9 -0.068 -10.720 2.772 1.00 0.00 O ATOM 117 CB CYS A 9 -2.528 -8.631 2.154 1.00 0.00 C ATOM 118 SG CYS A 9 -3.985 -7.624 2.563 1.00 0.00 S ATOM 0 H CYS A 9 -0.876 -9.151 4.524 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.312 -10.245 3.262 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.639 -8.001 2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.639 -9.045 1.152 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.494 -8.034 3.687 1.00 0.00 H new ATOM 124 N HIS A 10 -1.929 -11.964 2.179 1.00 0.00 N ATOM 125 CA HIS A 10 -1.348 -13.286 2.227 1.00 0.00 C ATOM 126 C HIS A 10 -1.575 -14.146 0.995 1.00 0.00 C ATOM 127 O HIS A 10 -0.681 -14.928 0.617 1.00 0.00 O ATOM 128 CB HIS A 10 -1.755 -13.968 3.552 1.00 0.00 C ATOM 129 CG HIS A 10 -1.079 -13.547 4.884 1.00 0.00 C ATOM 130 ND1 HIS A 10 -1.652 -13.556 6.126 1.00 0.00 N ATOM 131 CD2 HIS A 10 0.312 -13.275 5.102 1.00 0.00 C ATOM 132 CE1 HIS A 10 -0.597 -13.277 6.941 1.00 0.00 C ATOM 133 NE2 HIS A 10 0.609 -13.133 6.422 1.00 0.00 N ATOM 0 H HIS A 10 -2.857 -11.938 1.757 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.265 -13.163 2.209 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.828 -13.823 3.674 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.590 -15.038 3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.040 -13.192 4.309 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.746 -13.174 8.006 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.505 -12.964 6.879 1.00 0.00 H new ATOM 141 N THR A 11 -2.746 -14.169 0.377 1.00 0.00 N ATOM 142 CA THR A 11 -3.201 -15.126 -0.633 1.00 0.00 C ATOM 143 C THR A 11 -4.156 -14.346 -1.628 1.00 0.00 C ATOM 144 O THR A 11 -4.304 -13.103 -1.559 1.00 0.00 O ATOM 145 CB THR A 11 -3.802 -16.417 -0.058 1.00 0.00 C ATOM 146 OG1 THR A 11 -4.900 -16.063 0.797 1.00 0.00 O ATOM 147 CG2 THR A 11 -2.849 -17.349 0.634 1.00 0.00 C ATOM 0 H THR A 11 -3.460 -13.469 0.580 1.00 0.00 H new ATOM 0 HA THR A 11 -2.341 -15.510 -1.182 1.00 0.00 H new ATOM 0 HB THR A 11 -4.131 -17.004 -0.916 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.740 -16.362 0.391 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.392 -18.222 0.996 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.077 -17.666 -0.067 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.385 -16.836 1.476 1.00 0.00 H new ATOM 155 N VAL A 12 -4.856 -15.141 -2.487 1.00 0.00 N ATOM 156 CA VAL A 12 -6.008 -14.682 -3.340 1.00 0.00 C ATOM 157 C VAL A 12 -7.124 -13.933 -2.485 1.00 0.00 C ATOM 158 O VAL A 12 -7.946 -13.172 -3.027 1.00 0.00 O ATOM 159 CB VAL A 12 -6.556 -15.913 -4.181 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.218 -17.023 -3.295 1.00 0.00 C ATOM 161 CG2 VAL A 12 -7.567 -15.505 -5.275 1.00 0.00 C ATOM 0 H VAL A 12 -4.639 -16.130 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.662 -13.929 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.661 -16.317 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.571 -17.834 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.484 -17.410 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.060 -16.598 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.901 -16.393 -5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.425 -15.016 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.090 -14.818 -5.973 1.00 0.00 H new ATOM 171 N ASP A 13 -7.251 -14.157 -1.142 1.00 0.00 N ATOM 172 CA ASP A 13 -8.044 -13.309 -0.221 1.00 0.00 C ATOM 173 C ASP A 13 -7.845 -11.752 -0.312 1.00 0.00 C ATOM 174 O ASP A 13 -8.791 -11.011 -0.219 1.00 0.00 O ATOM 175 CB ASP A 13 -7.740 -13.726 1.221 1.00 0.00 C ATOM 176 CG ASP A 13 -8.448 -15.048 1.656 1.00 0.00 C ATOM 177 OD1 ASP A 13 -9.275 -14.999 2.587 1.00 0.00 O ATOM 178 OD2 ASP A 13 -7.865 -16.136 1.136 1.00 0.00 O ATOM 0 H ASP A 13 -6.798 -14.941 -0.672 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.073 -13.483 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.663 -13.847 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.044 -12.924 1.893 1.00 0.00 H new ATOM 184 N THR A 14 -6.540 -11.349 -0.517 1.00 0.00 N ATOM 185 CA THR A 14 -6.130 -9.945 -0.934 1.00 0.00 C ATOM 186 C THR A 14 -6.629 -9.501 -2.354 1.00 0.00 C ATOM 187 O THR A 14 -7.118 -8.381 -2.411 1.00 0.00 O ATOM 188 CB THR A 14 -4.622 -9.521 -0.678 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.464 -8.136 -0.281 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.656 -9.822 -1.814 1.00 0.00 C ATOM 0 H THR A 14 -5.747 -11.979 -0.400 1.00 0.00 H new ATOM 0 HA THR A 14 -6.694 -9.365 -0.204 1.00 0.00 H new ATOM 0 HB THR A 14 -4.351 -10.167 0.157 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.661 -8.045 0.675 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.654 -9.493 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.645 -10.895 -2.008 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.975 -9.294 -2.713 1.00 0.00 H new ATOM 198 N TRP A 15 -6.624 -10.430 -3.363 1.00 0.00 N ATOM 199 CA TRP A 15 -7.472 -10.231 -4.611 1.00 0.00 C ATOM 200 C TRP A 15 -8.943 -9.804 -4.384 1.00 0.00 C ATOM 201 O TRP A 15 -9.386 -8.847 -5.063 1.00 0.00 O ATOM 202 CB TRP A 15 -7.534 -11.368 -5.709 1.00 0.00 C ATOM 203 CG TRP A 15 -6.438 -11.217 -6.737 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.228 -11.821 -6.654 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.412 -10.531 -7.912 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.486 -11.601 -7.830 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.228 -10.727 -8.572 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.424 -9.810 -8.537 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -4.977 -10.213 -9.870 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.188 -9.204 -9.777 1.00 0.00 C ATOM 211 CH2 TRP A 15 -5.987 -9.421 -10.444 1.00 0.00 C ATOM 0 H TRP A 15 -6.074 -11.289 -3.352 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.859 -9.417 -4.998 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.449 -12.342 -5.228 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.504 -11.341 -6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.881 -12.391 -5.805 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.584 -12.009 -8.076 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.391 -9.718 -8.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.055 -10.420 -10.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.941 -8.566 -10.217 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.828 -8.976 -11.415 1.00 0.00 H new ATOM 222 N LYS A 16 -9.667 -10.369 -3.438 1.00 0.00 N ATOM 223 CA LYS A 16 -10.781 -9.720 -2.810 1.00 0.00 C ATOM 224 C LYS A 16 -10.590 -8.406 -1.990 1.00 0.00 C ATOM 225 O LYS A 16 -11.254 -7.459 -2.346 1.00 0.00 O ATOM 226 CB LYS A 16 -11.572 -10.698 -1.916 1.00 0.00 C ATOM 227 CG LYS A 16 -11.918 -12.126 -2.470 1.00 0.00 C ATOM 228 CD LYS A 16 -12.855 -12.966 -1.601 1.00 0.00 C ATOM 229 CE LYS A 16 -12.271 -13.210 -0.207 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.019 -14.273 0.500 1.00 0.00 N ATOM 0 H LYS A 16 -9.487 -11.309 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.302 -9.391 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.007 -10.831 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.510 -10.213 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.370 -12.013 -3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.988 -12.677 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.816 -12.460 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.043 -13.922 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.222 -13.493 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.306 -12.288 0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.605 -14.421 1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.015 -13.989 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.964 -15.157 -0.045 1.00 0.00 H new ATOM 243 N GLU A 17 -9.724 -8.374 -0.932 1.00 0.00 N ATOM 244 CA GLU A 17 -9.532 -7.128 -0.068 1.00 0.00 C ATOM 245 C GLU A 17 -9.244 -5.765 -0.851 1.00 0.00 C ATOM 246 O GLU A 17 -9.999 -4.832 -0.751 1.00 0.00 O ATOM 247 CB GLU A 17 -8.505 -7.330 1.095 1.00 0.00 C ATOM 248 CG GLU A 17 -8.937 -8.340 2.214 1.00 0.00 C ATOM 249 CD GLU A 17 -7.800 -9.001 3.055 1.00 0.00 C ATOM 250 OE1 GLU A 17 -7.130 -9.978 2.677 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.567 -8.202 4.165 1.00 0.00 O ATOM 0 H GLU A 17 -9.152 -9.169 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.523 -7.000 0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.562 -7.671 0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.314 -6.362 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.605 -7.819 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.517 -9.135 1.746 1.00 0.00 H new ATOM 259 N HIS A 18 -8.180 -5.762 -1.569 1.00 0.00 N ATOM 260 CA HIS A 18 -7.627 -4.685 -2.488 1.00 0.00 C ATOM 261 C HIS A 18 -8.616 -4.156 -3.593 1.00 0.00 C ATOM 262 O HIS A 18 -8.968 -2.958 -3.622 1.00 0.00 O ATOM 263 CB HIS A 18 -6.228 -5.126 -3.045 1.00 0.00 C ATOM 264 CG HIS A 18 -5.522 -4.206 -4.051 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.754 -4.144 -5.409 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.313 -3.490 -3.787 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.662 -3.379 -5.822 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.758 -2.896 -4.910 1.00 0.00 N ATOM 0 H HIS A 18 -7.568 -6.578 -1.567 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.490 -3.796 -1.873 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.560 -5.264 -2.195 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.350 -6.102 -3.516 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.513 -4.546 -5.959 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.873 -3.418 -2.803 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.527 -3.165 -6.872 1.00 0.00 H new ATOM 276 N PHE A 19 -9.021 -5.081 -4.426 1.00 0.00 N ATOM 277 CA PHE A 19 -10.012 -4.890 -5.535 1.00 0.00 C ATOM 278 C PHE A 19 -11.414 -4.255 -5.103 1.00 0.00 C ATOM 279 O PHE A 19 -11.769 -3.144 -5.538 1.00 0.00 O ATOM 280 CB PHE A 19 -10.091 -6.084 -6.458 1.00 0.00 C ATOM 281 CG PHE A 19 -10.735 -5.683 -7.839 1.00 0.00 C ATOM 282 CD1 PHE A 19 -12.112 -5.778 -7.991 1.00 0.00 C ATOM 283 CD2 PHE A 19 -9.925 -5.327 -8.917 1.00 0.00 C ATOM 284 CE1 PHE A 19 -12.700 -5.532 -9.211 1.00 0.00 C ATOM 285 CE2 PHE A 19 -10.515 -5.074 -10.166 1.00 0.00 C ATOM 286 CZ PHE A 19 -11.891 -5.201 -10.352 1.00 0.00 C ATOM 0 H PHE A 19 -8.674 -6.039 -4.375 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.599 -4.090 -6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.093 -6.489 -6.621 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.682 -6.872 -5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.727 -6.047 -7.145 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.855 -5.247 -8.793 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.774 -5.588 -9.311 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.892 -4.776 -10.997 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.336 -5.055 -11.325 1.00 0.00 H new ATOM 296 N GLU A 20 -12.146 -4.956 -4.172 1.00 0.00 N ATOM 297 CA GLU A 20 -13.382 -4.479 -3.460 1.00 0.00 C ATOM 298 C GLU A 20 -13.378 -3.107 -2.779 1.00 0.00 C ATOM 299 O GLU A 20 -14.266 -2.319 -3.051 1.00 0.00 O ATOM 300 CB GLU A 20 -13.916 -5.567 -2.462 1.00 0.00 C ATOM 301 CG GLU A 20 -14.336 -6.944 -3.139 1.00 0.00 C ATOM 302 CD GLU A 20 -15.703 -6.920 -3.888 1.00 0.00 C ATOM 303 OE1 GLU A 20 -15.906 -6.508 -5.052 1.00 0.00 O ATOM 304 OE2 GLU A 20 -16.747 -7.305 -3.034 1.00 0.00 O ATOM 0 H GLU A 20 -11.881 -5.899 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.055 -4.320 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.146 -5.765 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.777 -5.162 -1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.558 -7.237 -3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.375 -7.714 -2.368 1.00 0.00 H new ATOM 312 N LYS A 21 -12.332 -2.821 -1.963 1.00 0.00 N ATOM 313 CA LYS A 21 -12.137 -1.418 -1.433 1.00 0.00 C ATOM 314 C LYS A 21 -11.883 -0.336 -2.565 1.00 0.00 C ATOM 315 O LYS A 21 -12.719 0.541 -2.708 1.00 0.00 O ATOM 316 CB LYS A 21 -11.082 -1.603 -0.296 1.00 0.00 C ATOM 317 CG LYS A 21 -11.533 -2.387 0.954 1.00 0.00 C ATOM 318 CD LYS A 21 -12.209 -1.443 2.014 1.00 0.00 C ATOM 319 CE LYS A 21 -12.658 -2.059 3.334 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.577 -2.359 4.345 1.00 0.00 N ATOM 0 H LYS A 21 -11.632 -3.498 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.029 -0.958 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.213 -2.108 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.752 -0.615 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.235 -3.168 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.673 -2.883 1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.508 -0.639 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.080 -0.984 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.379 -1.385 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.185 -2.987 3.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.004 -2.773 5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.897 -3.032 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.084 -1.479 4.598 1.00 0.00 H new ATOM 333 N GLY A 22 -10.802 -0.451 -3.306 1.00 0.00 N ATOM 334 CA GLY A 22 -10.456 0.428 -4.467 1.00 0.00 C ATOM 335 C GLY A 22 -11.666 0.870 -5.386 1.00 0.00 C ATOM 336 O GLY A 22 -12.335 1.877 -5.238 1.00 0.00 O ATOM 0 H GLY A 22 -10.101 -1.172 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.968 1.325 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.726 -0.093 -5.087 1.00 0.00 H new ATOM 340 N LYS A 23 -11.997 -0.054 -6.281 1.00 0.00 N ATOM 341 CA LYS A 23 -13.290 -0.133 -7.014 1.00 0.00 C ATOM 342 C LYS A 23 -14.340 -0.686 -5.996 1.00 0.00 C ATOM 343 O LYS A 23 -14.555 -1.887 -5.793 1.00 0.00 O ATOM 344 CB LYS A 23 -13.173 -0.856 -8.386 1.00 0.00 C ATOM 345 CG LYS A 23 -14.474 -0.660 -9.230 1.00 0.00 C ATOM 346 CD LYS A 23 -14.962 -1.869 -9.948 1.00 0.00 C ATOM 347 CE LYS A 23 -14.156 -2.263 -11.213 1.00 0.00 C ATOM 348 NZ LYS A 23 -14.535 -1.347 -12.317 1.00 0.00 N ATOM 0 H LYS A 23 -11.358 -0.806 -6.538 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.638 0.845 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.316 -0.467 -8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.994 -1.919 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.265 -0.308 -8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.296 0.128 -9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.952 -2.711 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.000 -1.705 -10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.086 -2.197 -11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.366 -3.296 -11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.707 -1.898 -13.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.399 -0.830 -12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.764 -0.670 -12.486 1.00 0.00 H new ATOM 361 N GLY A 24 -15.017 0.259 -5.452 1.00 0.00 N ATOM 362 CA GLY A 24 -16.243 -0.020 -4.687 1.00 0.00 C ATOM 363 C GLY A 24 -16.701 1.154 -3.749 1.00 0.00 C ATOM 364 O GLY A 24 -17.878 1.544 -3.577 1.00 0.00 O ATOM 0 H GLY A 24 -14.766 1.246 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.049 -0.247 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.084 -0.912 -4.082 1.00 0.00 H new ATOM 368 N SER A 25 -15.708 1.625 -3.065 1.00 0.00 N ATOM 369 CA SER A 25 -15.752 2.538 -1.883 1.00 0.00 C ATOM 370 C SER A 25 -15.013 3.790 -2.359 1.00 0.00 C ATOM 371 O SER A 25 -13.863 3.746 -2.874 1.00 0.00 O ATOM 372 CB SER A 25 -15.024 1.905 -0.657 1.00 0.00 C ATOM 373 OG SER A 25 -15.688 0.787 -0.109 1.00 0.00 O ATOM 0 H SER A 25 -14.748 1.382 -3.310 1.00 0.00 H new ATOM 0 HA SER A 25 -16.770 2.744 -1.554 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.020 1.607 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.912 2.664 0.118 1.00 0.00 H new ATOM 0 HG SER A 25 -15.175 0.443 0.652 1.00 0.00 H new ATOM 379 N GLN A 26 -15.723 4.914 -2.268 1.00 0.00 N ATOM 380 CA GLN A 26 -15.175 6.274 -2.423 1.00 0.00 C ATOM 381 C GLN A 26 -14.010 6.700 -1.485 1.00 0.00 C ATOM 382 O GLN A 26 -14.171 7.493 -0.573 1.00 0.00 O ATOM 383 CB GLN A 26 -16.308 7.363 -2.455 1.00 0.00 C ATOM 384 CG GLN A 26 -17.008 7.597 -3.801 1.00 0.00 C ATOM 385 CD GLN A 26 -17.959 6.411 -4.267 1.00 0.00 C ATOM 386 OE1 GLN A 26 -19.055 6.236 -3.864 1.00 0.00 O ATOM 387 NE2 GLN A 26 -17.487 5.645 -5.253 1.00 0.00 N ATOM 0 H GLN A 26 -16.725 4.910 -2.079 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.689 6.211 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.066 7.086 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.878 8.309 -2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.596 8.512 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.250 7.759 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.541 5.792 -5.605 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.072 4.913 -5.655 1.00 0.00 H new ATOM 396 N LYS A 27 -12.817 6.192 -1.818 1.00 0.00 N ATOM 397 CA LYS A 27 -11.573 6.339 -1.025 1.00 0.00 C ATOM 398 C LYS A 27 -10.324 6.127 -1.918 1.00 0.00 C ATOM 399 O LYS A 27 -10.359 5.511 -2.995 1.00 0.00 O ATOM 400 CB LYS A 27 -11.639 5.444 0.229 1.00 0.00 C ATOM 401 CG LYS A 27 -11.614 3.887 0.088 1.00 0.00 C ATOM 402 CD LYS A 27 -11.626 3.129 1.436 1.00 0.00 C ATOM 403 CE LYS A 27 -12.760 3.522 2.405 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.932 2.692 3.595 1.00 0.00 N ATOM 0 H LYS A 27 -12.678 5.650 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.478 7.359 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.803 5.724 0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.552 5.705 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.476 3.573 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.724 3.598 -0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.699 2.061 1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.671 3.294 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.588 4.548 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.698 3.516 1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.723 3.058 4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.135 1.713 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.060 2.713 4.162 1.00 0.00 H new ATOM 417 N LEU A 28 -9.192 6.577 -1.408 1.00 0.00 N ATOM 418 CA LEU A 28 -7.813 5.976 -1.658 1.00 0.00 C ATOM 419 C LEU A 28 -7.536 4.672 -0.895 1.00 0.00 C ATOM 420 O LEU A 28 -7.947 4.501 0.223 1.00 0.00 O ATOM 421 CB LEU A 28 -6.798 7.050 -1.290 1.00 0.00 C ATOM 422 CG LEU A 28 -5.367 7.013 -1.888 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.223 7.179 -3.429 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.333 7.881 -1.182 1.00 0.00 C ATOM 0 H LEU A 28 -9.161 7.387 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.746 5.685 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.235 8.012 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.695 7.038 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.141 5.968 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.169 7.133 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.765 6.379 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.634 8.142 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.370 7.779 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.650 8.923 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.238 7.562 -0.144 1.00 0.00 H new ATOM 436 N ILE A 29 -6.678 3.805 -1.462 1.00 0.00 N ATOM 437 CA ILE A 29 -6.162 2.541 -0.967 1.00 0.00 C ATOM 438 C ILE A 29 -4.726 2.417 -1.484 1.00 0.00 C ATOM 439 O ILE A 29 -4.413 2.749 -2.616 1.00 0.00 O ATOM 440 CB ILE A 29 -6.955 1.250 -1.231 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.751 0.481 -2.582 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.529 1.519 -1.017 1.00 0.00 C ATOM 443 CD1 ILE A 29 -7.187 -0.945 -2.377 1.00 0.00 C ATOM 0 H ILE A 29 -6.293 4.009 -2.384 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.247 2.605 0.118 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.519 0.571 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.333 0.947 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.706 0.519 -2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.084 0.600 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.706 1.846 0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.863 2.293 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.055 -1.503 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.585 -1.400 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.238 -0.966 -2.087 1.00 0.00 H new ATOM 455 N VAL A 30 -3.758 2.154 -0.569 1.00 0.00 N ATOM 456 CA VAL A 30 -2.272 2.310 -0.660 1.00 0.00 C ATOM 457 C VAL A 30 -1.740 0.947 -0.074 1.00 0.00 C ATOM 458 O VAL A 30 -2.227 0.304 0.867 1.00 0.00 O ATOM 459 CB VAL A 30 -1.783 3.606 0.064 1.00 0.00 C ATOM 460 CG1 VAL A 30 -0.267 3.788 -0.021 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.402 4.978 -0.413 1.00 0.00 C ATOM 0 H VAL A 30 -4.019 1.790 0.347 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.887 2.467 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.136 3.410 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.019 4.703 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.228 2.936 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.033 3.855 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.976 5.793 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.176 5.132 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.483 4.958 -0.273 1.00 0.00 H new ATOM 471 N VAL A 31 -0.647 0.429 -0.656 1.00 0.00 N ATOM 472 CA VAL A 31 -0.212 -1.026 -0.507 1.00 0.00 C ATOM 473 C VAL A 31 1.332 -0.991 -0.634 1.00 0.00 C ATOM 474 O VAL A 31 1.896 -0.811 -1.714 1.00 0.00 O ATOM 475 CB VAL A 31 -1.110 -1.993 -1.336 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.337 -1.607 -2.760 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.786 -3.487 -1.058 1.00 0.00 C ATOM 0 H VAL A 31 -0.023 0.979 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.394 -1.506 0.454 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.120 -1.861 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.974 -2.349 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.822 -0.632 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.381 -1.558 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.439 -4.119 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.253 -3.688 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.945 -3.703 -0.002 1.00 0.00 H new ATOM 487 N ASP A 32 2.015 -1.496 0.407 1.00 0.00 N ATOM 488 CA ASP A 32 3.408 -1.977 0.448 1.00 0.00 C ATOM 489 C ASP A 32 3.391 -3.444 -0.131 1.00 0.00 C ATOM 490 O ASP A 32 2.606 -4.273 0.343 1.00 0.00 O ATOM 491 CB ASP A 32 4.073 -1.871 1.906 1.00 0.00 C ATOM 492 CG ASP A 32 5.556 -1.701 2.056 1.00 0.00 C ATOM 493 OD1 ASP A 32 6.131 -1.829 3.130 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.160 -1.293 0.808 1.00 0.00 O ATOM 0 H ASP A 32 1.569 -1.586 1.320 1.00 0.00 H new ATOM 0 HA ASP A 32 4.050 -1.339 -0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.600 -1.031 2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.796 -2.772 2.452 1.00 0.00 H new ATOM 500 N PHE A 33 4.453 -3.663 -0.871 1.00 0.00 N ATOM 501 CA PHE A 33 4.986 -4.931 -1.492 1.00 0.00 C ATOM 502 C PHE A 33 6.418 -5.003 -0.922 1.00 0.00 C ATOM 503 O PHE A 33 7.346 -4.169 -1.145 1.00 0.00 O ATOM 504 CB PHE A 33 4.836 -4.883 -3.034 1.00 0.00 C ATOM 505 CG PHE A 33 3.375 -4.784 -3.491 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.647 -6.014 -3.475 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.733 -3.575 -3.751 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.322 -5.987 -3.794 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.329 -3.553 -3.946 1.00 0.00 C ATOM 510 CZ PHE A 33 0.672 -4.755 -4.016 1.00 0.00 C ATOM 0 H PHE A 33 5.065 -2.880 -1.102 1.00 0.00 H new ATOM 0 HA PHE A 33 4.452 -5.851 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.391 -4.028 -3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.286 -5.777 -3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.135 -6.942 -3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.302 -2.659 -3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.769 -6.911 -3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.794 -2.619 -4.037 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.382 -4.758 -4.250 1.00 0.00 H new ATOM 520 N THR A 34 6.580 -5.958 0.067 1.00 0.00 N ATOM 521 CA THR A 34 7.780 -6.088 0.875 1.00 0.00 C ATOM 522 C THR A 34 7.829 -7.664 1.285 1.00 0.00 C ATOM 523 O THR A 34 6.917 -8.342 1.691 1.00 0.00 O ATOM 524 CB THR A 34 7.757 -5.231 2.192 1.00 0.00 C ATOM 525 OG1 THR A 34 8.928 -5.507 3.025 1.00 0.00 O ATOM 526 CG2 THR A 34 6.490 -5.375 3.075 1.00 0.00 C ATOM 0 H THR A 34 5.860 -6.643 0.298 1.00 0.00 H new ATOM 0 HA THR A 34 8.641 -5.735 0.308 1.00 0.00 H new ATOM 0 HB THR A 34 7.759 -4.207 1.820 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.597 -4.804 2.891 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.586 -4.739 3.955 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.612 -5.074 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.381 -6.413 3.388 1.00 0.00 H new ATOM 534 N ALA A 35 9.118 -8.052 1.273 1.00 0.00 N ATOM 535 CA ALA A 35 9.615 -9.382 1.837 1.00 0.00 C ATOM 536 C ALA A 35 9.822 -9.389 3.413 1.00 0.00 C ATOM 537 O ALA A 35 10.159 -8.343 3.970 1.00 0.00 O ATOM 538 CB ALA A 35 10.889 -9.546 0.932 1.00 0.00 C ATOM 0 H ALA A 35 9.863 -7.477 0.881 1.00 0.00 H new ATOM 0 HA ALA A 35 8.931 -10.229 1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.402 -10.472 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.590 -9.577 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.560 -8.702 1.092 1.00 0.00 H new ATOM 544 N SER A 36 9.723 -10.529 4.027 1.00 0.00 N ATOM 545 CA SER A 36 10.244 -10.745 5.344 1.00 0.00 C ATOM 546 C SER A 36 11.772 -10.410 5.546 1.00 0.00 C ATOM 547 O SER A 36 12.166 -9.802 6.564 1.00 0.00 O ATOM 548 CB SER A 36 9.813 -12.202 5.762 1.00 0.00 C ATOM 549 OG SER A 36 10.389 -12.743 6.927 1.00 0.00 O ATOM 0 H SER A 36 9.271 -11.348 3.621 1.00 0.00 H new ATOM 0 HA SER A 36 9.813 -10.015 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.730 -12.209 5.888 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.042 -12.871 4.932 1.00 0.00 H new ATOM 0 HG SER A 36 10.039 -13.646 7.076 1.00 0.00 H new ATOM 555 N TRP A 37 12.651 -10.733 4.618 1.00 0.00 N ATOM 556 CA TRP A 37 13.992 -10.256 4.382 1.00 0.00 C ATOM 557 C TRP A 37 14.054 -8.778 3.829 1.00 0.00 C ATOM 558 O TRP A 37 14.198 -8.641 2.645 1.00 0.00 O ATOM 559 CB TRP A 37 14.818 -11.325 3.607 1.00 0.00 C ATOM 560 CG TRP A 37 14.315 -11.884 2.234 1.00 0.00 C ATOM 561 CD1 TRP A 37 13.284 -12.877 2.089 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.687 -11.479 0.960 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.978 -13.072 0.755 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.898 -12.246 0.049 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.654 -10.554 0.527 1.00 0.00 C ATOM 566 CZ2 TRP A 37 14.031 -12.030 -1.362 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.779 -10.352 -0.848 1.00 0.00 C ATOM 568 CH2 TRP A 37 14.975 -11.069 -1.743 1.00 0.00 C ATOM 0 H TRP A 37 12.401 -11.433 3.919 1.00 0.00 H new ATOM 0 HA TRP A 37 14.497 -10.142 5.341 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.809 -10.904 3.438 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.944 -12.178 4.274 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.814 -13.398 2.910 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.254 -13.674 0.363 1.00 0.00 H new ATOM 0 HE3 TRP A 37 16.275 -10.021 1.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.441 -12.574 -2.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.499 -9.640 -1.224 1.00 0.00 H new ATOM 0 HH2 TRP A 37 15.091 -10.867 -2.798 1.00 0.00 H new ATOM 579 N CYS A 38 13.813 -7.823 4.680 1.00 0.00 N ATOM 580 CA CYS A 38 13.756 -6.387 4.278 1.00 0.00 C ATOM 581 C CYS A 38 13.853 -5.525 5.613 1.00 0.00 C ATOM 582 O CYS A 38 12.851 -5.009 6.097 1.00 0.00 O ATOM 583 CB CYS A 38 12.501 -5.929 3.419 1.00 0.00 C ATOM 584 SG CYS A 38 12.505 -4.131 2.998 1.00 0.00 S ATOM 0 H CYS A 38 13.647 -7.983 5.674 1.00 0.00 H new ATOM 0 HA CYS A 38 14.589 -6.227 3.594 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.472 -6.509 2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.590 -6.162 3.970 1.00 0.00 H new ATOM 0 HG CYS A 38 11.282 -3.720 2.837 1.00 0.00 H new ATOM 590 N PRO A 39 15.097 -5.105 6.076 1.00 0.00 N ATOM 591 CA PRO A 39 15.366 -3.993 7.012 1.00 0.00 C ATOM 592 C PRO A 39 14.793 -2.559 6.567 1.00 0.00 C ATOM 593 O PRO A 39 14.104 -2.049 7.454 1.00 0.00 O ATOM 594 CB PRO A 39 16.933 -3.889 7.107 1.00 0.00 C ATOM 595 CG PRO A 39 17.440 -5.284 6.810 1.00 0.00 C ATOM 596 CD PRO A 39 16.407 -5.763 5.729 1.00 0.00 C ATOM 0 HA PRO A 39 14.861 -4.221 7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.324 -3.167 6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 39 17.247 -3.558 8.097 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.461 -5.278 6.429 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.434 -5.921 7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.732 -5.479 4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.311 -6.849 5.737 1.00 0.00 H new ATOM 604 N PRO A 40 14.924 -1.912 5.349 1.00 0.00 N ATOM 605 CA PRO A 40 14.118 -0.687 4.922 1.00 0.00 C ATOM 606 C PRO A 40 12.634 -0.671 5.303 1.00 0.00 C ATOM 607 O PRO A 40 12.091 0.326 5.770 1.00 0.00 O ATOM 608 CB PRO A 40 14.355 -0.659 3.358 1.00 0.00 C ATOM 609 CG PRO A 40 15.615 -1.414 3.107 1.00 0.00 C ATOM 610 CD PRO A 40 15.672 -2.470 4.197 1.00 0.00 C ATOM 0 HA PRO A 40 14.453 0.204 5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.518 -1.116 2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.438 0.366 2.997 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.610 -1.870 2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 40 16.483 -0.756 3.150 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.225 -3.405 3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.703 -2.691 4.472 1.00 0.00 H new ATOM 618 N CYS A 41 11.968 -1.714 4.924 1.00 0.00 N ATOM 619 CA CYS A 41 10.568 -2.023 5.396 1.00 0.00 C ATOM 620 C CYS A 41 10.282 -2.257 6.867 1.00 0.00 C ATOM 621 O CYS A 41 9.172 -1.928 7.306 1.00 0.00 O ATOM 622 CB CYS A 41 9.598 -2.844 4.511 1.00 0.00 C ATOM 623 SG CYS A 41 9.747 -2.623 2.749 1.00 0.00 S ATOM 0 H CYS A 41 12.342 -2.407 4.276 1.00 0.00 H new ATOM 0 HA CYS A 41 10.323 -0.978 5.209 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.743 -3.901 4.736 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.577 -2.594 4.801 1.00 0.00 H new ATOM 0 HG CYS A 41 8.622 -2.181 2.270 1.00 0.00 H new ATOM 629 N LYS A 42 11.125 -2.946 7.592 1.00 0.00 N ATOM 630 CA LYS A 42 11.056 -2.965 9.074 1.00 0.00 C ATOM 631 C LYS A 42 10.918 -1.689 9.918 1.00 0.00 C ATOM 632 O LYS A 42 10.139 -1.649 10.892 1.00 0.00 O ATOM 633 CB LYS A 42 12.341 -3.766 9.538 1.00 0.00 C ATOM 634 CG LYS A 42 12.177 -4.574 10.846 1.00 0.00 C ATOM 635 CD LYS A 42 13.393 -5.429 11.184 1.00 0.00 C ATOM 636 CE LYS A 42 13.181 -6.303 12.408 1.00 0.00 C ATOM 637 NZ LYS A 42 14.435 -7.000 12.784 1.00 0.00 N ATOM 0 H LYS A 42 11.879 -3.511 7.201 1.00 0.00 H new ATOM 0 HA LYS A 42 10.075 -3.396 9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.630 -4.451 8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.162 -3.061 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.986 -3.885 11.669 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.302 -5.218 10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.634 -6.062 10.330 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.252 -4.779 11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.836 -5.691 13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.400 -7.036 12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.266 -7.591 13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.748 -7.600 11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.172 -6.298 12.998 1.00 0.00 H new ATOM 650 N MET A 43 11.770 -0.707 9.459 1.00 0.00 N ATOM 651 CA MET A 43 11.471 0.769 9.804 1.00 0.00 C ATOM 652 C MET A 43 10.091 1.355 9.205 1.00 0.00 C ATOM 653 O MET A 43 9.326 2.025 9.964 1.00 0.00 O ATOM 654 CB MET A 43 12.789 1.644 9.532 1.00 0.00 C ATOM 655 CG MET A 43 13.440 1.694 8.151 1.00 0.00 C ATOM 656 SD MET A 43 14.823 2.798 8.118 1.00 0.00 S ATOM 657 CE MET A 43 14.087 4.299 7.606 1.00 0.00 C ATOM 0 H MET A 43 12.605 -0.868 8.896 1.00 0.00 H new ATOM 0 HA MET A 43 11.248 0.835 10.869 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.550 2.671 9.808 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.551 1.296 10.229 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.766 0.694 7.866 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.703 2.011 7.413 1.00 0.00 H new ATOM 0 HE1 MET A 43 14.849 5.076 7.545 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.628 4.164 6.627 1.00 0.00 H new ATOM 0 HE3 MET A 43 13.324 4.595 8.327 1.00 0.00 H new ATOM 667 N ILE A 44 9.891 1.169 7.897 1.00 0.00 N ATOM 668 CA ILE A 44 8.643 1.399 7.163 1.00 0.00 C ATOM 669 C ILE A 44 7.247 0.837 7.620 1.00 0.00 C ATOM 670 O ILE A 44 6.200 1.355 7.236 1.00 0.00 O ATOM 671 CB ILE A 44 8.762 1.406 5.570 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.479 2.873 5.073 1.00 0.00 C ATOM 673 CG2 ILE A 44 7.946 0.384 4.777 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.515 3.925 5.365 1.00 0.00 C ATOM 0 H ILE A 44 10.638 0.835 7.288 1.00 0.00 H new ATOM 0 HA ILE A 44 8.568 2.407 7.570 1.00 0.00 H new ATOM 0 HB ILE A 44 9.778 1.072 5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.332 2.838 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.537 3.200 5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.134 0.516 3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.237 -0.623 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.885 0.530 4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.184 4.883 4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.653 4.011 6.443 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.460 3.644 4.900 1.00 0.00 H new ATOM 686 N ALA A 45 7.192 -0.209 8.435 1.00 0.00 N ATOM 687 CA ALA A 45 5.993 -0.638 9.218 1.00 0.00 C ATOM 688 C ALA A 45 5.607 0.519 10.216 1.00 0.00 C ATOM 689 O ALA A 45 4.630 1.196 9.875 1.00 0.00 O ATOM 690 CB ALA A 45 6.286 -2.021 9.842 1.00 0.00 C ATOM 0 H ALA A 45 7.997 -0.816 8.589 1.00 0.00 H new ATOM 0 HA ALA A 45 5.103 -0.788 8.606 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.421 -2.351 10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.491 -2.741 9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.153 -1.948 10.499 1.00 0.00 H new ATOM 696 N PRO A 46 6.347 0.913 11.300 1.00 0.00 N ATOM 697 CA PRO A 46 6.040 2.205 11.981 1.00 0.00 C ATOM 698 C PRO A 46 5.766 3.529 11.249 1.00 0.00 C ATOM 699 O PRO A 46 4.767 4.191 11.548 1.00 0.00 O ATOM 700 CB PRO A 46 7.259 2.340 12.909 1.00 0.00 C ATOM 701 CG PRO A 46 7.919 0.995 13.048 1.00 0.00 C ATOM 702 CD PRO A 46 7.409 0.102 11.914 1.00 0.00 C ATOM 0 HA PRO A 46 5.033 2.103 12.385 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.964 3.065 12.502 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.949 2.710 13.886 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.003 1.095 12.997 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.685 0.553 14.017 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.199 -0.134 11.201 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.025 -0.846 12.290 1.00 0.00 H new ATOM 710 N ILE A 47 6.637 3.895 10.251 1.00 0.00 N ATOM 711 CA ILE A 47 6.302 5.047 9.257 1.00 0.00 C ATOM 712 C ILE A 47 4.932 4.924 8.500 1.00 0.00 C ATOM 713 O ILE A 47 4.111 5.861 8.542 1.00 0.00 O ATOM 714 CB ILE A 47 7.470 5.426 8.268 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.811 5.647 8.952 1.00 0.00 C ATOM 716 CG2 ILE A 47 7.198 6.613 7.291 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.808 6.759 10.043 1.00 0.00 C ATOM 0 H ILE A 47 7.542 3.451 10.093 1.00 0.00 H new ATOM 0 HA ILE A 47 6.181 5.886 9.942 1.00 0.00 H new ATOM 0 HB ILE A 47 7.516 4.525 7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.130 4.710 9.408 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.553 5.901 8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.074 6.776 6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.340 6.377 6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.989 7.516 7.865 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.804 6.847 10.476 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.523 7.710 9.593 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.094 6.500 10.825 1.00 0.00 H new ATOM 729 N PHE A 48 4.685 3.745 7.812 1.00 0.00 N ATOM 730 CA PHE A 48 3.310 3.388 7.191 1.00 0.00 C ATOM 731 C PHE A 48 2.156 3.515 8.202 1.00 0.00 C ATOM 732 O PHE A 48 1.129 4.069 7.846 1.00 0.00 O ATOM 733 CB PHE A 48 3.442 2.022 6.469 1.00 0.00 C ATOM 734 CG PHE A 48 2.347 1.628 5.496 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.236 2.306 4.297 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.624 0.434 5.678 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.489 1.791 3.234 1.00 0.00 C ATOM 738 CE2 PHE A 48 0.943 -0.129 4.572 1.00 0.00 C ATOM 739 CZ PHE A 48 0.860 0.533 3.343 1.00 0.00 C ATOM 0 H PHE A 48 5.396 3.028 7.667 1.00 0.00 H new ATOM 0 HA PHE A 48 3.025 4.117 6.432 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.388 2.019 5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.508 1.245 7.231 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.738 3.255 4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.589 -0.045 6.646 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.392 2.361 2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.475 -1.096 4.680 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.333 0.097 2.507 1.00 0.00 H new ATOM 749 N ALA A 49 2.231 2.946 9.451 1.00 0.00 N ATOM 750 CA ALA A 49 1.345 3.197 10.582 1.00 0.00 C ATOM 751 C ALA A 49 1.119 4.665 11.067 1.00 0.00 C ATOM 752 O ALA A 49 0.031 5.225 11.087 1.00 0.00 O ATOM 753 CB ALA A 49 1.722 2.240 11.646 1.00 0.00 C ATOM 0 H ALA A 49 2.958 2.268 9.681 1.00 0.00 H new ATOM 0 HA ALA A 49 0.330 3.026 10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.082 2.392 12.515 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.599 1.221 11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.762 2.401 11.928 1.00 0.00 H new ATOM 759 N GLU A 50 2.163 5.489 11.440 1.00 0.00 N ATOM 760 CA GLU A 50 2.096 6.980 11.711 1.00 0.00 C ATOM 761 C GLU A 50 1.415 7.916 10.721 1.00 0.00 C ATOM 762 O GLU A 50 0.471 8.634 11.072 1.00 0.00 O ATOM 763 CB GLU A 50 3.541 7.322 12.109 1.00 0.00 C ATOM 764 CG GLU A 50 3.795 8.766 12.486 1.00 0.00 C ATOM 765 CD GLU A 50 5.227 8.903 13.059 1.00 0.00 C ATOM 766 OE1 GLU A 50 6.252 9.013 12.369 1.00 0.00 O ATOM 767 OE2 GLU A 50 5.172 8.779 14.414 1.00 0.00 O ATOM 0 H GLU A 50 3.107 5.122 11.565 1.00 0.00 H new ATOM 0 HA GLU A 50 1.361 7.180 12.491 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.825 6.691 12.951 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.198 7.062 11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.678 9.408 11.613 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.063 9.095 13.224 1.00 0.00 H new ATOM 775 N LEU A 51 1.867 7.809 9.430 1.00 0.00 N ATOM 776 CA LEU A 51 1.104 8.285 8.278 1.00 0.00 C ATOM 777 C LEU A 51 -0.396 7.770 8.230 1.00 0.00 C ATOM 778 O LEU A 51 -1.251 8.670 8.189 1.00 0.00 O ATOM 779 CB LEU A 51 1.925 7.768 7.071 1.00 0.00 C ATOM 780 CG LEU A 51 1.521 8.053 5.595 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.931 6.814 4.951 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.652 9.325 5.448 1.00 0.00 C ATOM 0 H LEU A 51 2.764 7.391 9.184 1.00 0.00 H new ATOM 0 HA LEU A 51 0.986 9.368 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.937 8.153 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.981 6.684 7.174 1.00 0.00 H new ATOM 0 HG LEU A 51 2.426 8.287 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.656 7.036 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.668 6.011 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.045 6.503 5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.400 9.474 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.264 9.209 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.207 10.189 5.815 1.00 0.00 H new ATOM 794 N ALA A 52 -0.694 6.476 8.391 1.00 0.00 N ATOM 795 CA ALA A 52 -2.054 5.966 8.646 1.00 0.00 C ATOM 796 C ALA A 52 -2.905 6.669 9.699 1.00 0.00 C ATOM 797 O ALA A 52 -4.110 7.011 9.458 1.00 0.00 O ATOM 798 CB ALA A 52 -2.070 4.450 8.863 1.00 0.00 C ATOM 0 H ALA A 52 0.010 5.739 8.348 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.555 6.225 7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.092 4.120 9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.682 3.951 7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.447 4.199 9.722 1.00 0.00 H new ATOM 804 N LYS A 53 -2.355 6.880 10.891 1.00 0.00 N ATOM 805 CA LYS A 53 -2.908 7.703 11.986 1.00 0.00 C ATOM 806 C LYS A 53 -3.134 9.263 11.713 1.00 0.00 C ATOM 807 O LYS A 53 -3.925 9.857 12.439 1.00 0.00 O ATOM 808 CB LYS A 53 -2.068 7.583 13.288 1.00 0.00 C ATOM 809 CG LYS A 53 -2.050 6.108 13.857 1.00 0.00 C ATOM 810 CD LYS A 53 -0.843 5.778 14.763 1.00 0.00 C ATOM 811 CE LYS A 53 -0.760 4.269 15.002 1.00 0.00 C ATOM 812 NZ LYS A 53 0.315 3.973 15.965 1.00 0.00 N ATOM 0 H LYS A 53 -1.460 6.461 11.143 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.902 7.265 12.081 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.046 7.906 13.089 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.474 8.256 14.043 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.967 5.940 14.422 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.059 5.410 13.020 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.077 6.131 14.298 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.940 6.300 15.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.712 3.899 15.382 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.570 3.753 14.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.366 2.946 16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.223 4.311 15.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.116 4.453 16.866 1.00 0.00 H new ATOM 825 N LYS A 54 -2.304 9.851 10.824 1.00 0.00 N ATOM 826 CA LYS A 54 -2.342 11.214 10.266 1.00 0.00 C ATOM 827 C LYS A 54 -3.522 11.461 9.248 1.00 0.00 C ATOM 828 O LYS A 54 -3.949 12.628 9.088 1.00 0.00 O ATOM 829 CB LYS A 54 -0.892 11.618 9.758 1.00 0.00 C ATOM 830 CG LYS A 54 -0.671 13.087 9.389 1.00 0.00 C ATOM 831 CD LYS A 54 0.708 13.353 8.677 1.00 0.00 C ATOM 832 CE LYS A 54 1.898 13.149 9.573 1.00 0.00 C ATOM 833 NZ LYS A 54 3.161 13.571 8.957 1.00 0.00 N ATOM 0 H LYS A 54 -1.514 9.329 10.444 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.601 11.912 11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.174 11.352 10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.657 11.010 8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.479 13.415 8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.728 13.693 10.293 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.796 12.692 7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.720 14.375 8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.748 13.705 10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.966 12.095 9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.944 13.406 9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.324 13.023 8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.112 14.583 8.724 1.00 0.00 H new ATOM 846 N PHE A 55 -3.956 10.400 8.526 1.00 0.00 N ATOM 847 CA PHE A 55 -4.696 10.432 7.222 1.00 0.00 C ATOM 848 C PHE A 55 -5.892 9.368 7.298 1.00 0.00 C ATOM 849 O PHE A 55 -5.742 8.180 7.047 1.00 0.00 O ATOM 850 CB PHE A 55 -3.634 10.123 6.145 1.00 0.00 C ATOM 851 CG PHE A 55 -2.944 11.360 5.555 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.650 12.175 4.648 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.668 11.763 5.982 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.118 13.357 4.204 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.143 12.901 5.458 1.00 0.00 C ATOM 856 CZ PHE A 55 -1.813 13.670 4.507 1.00 0.00 C ATOM 0 H PHE A 55 -3.796 9.445 8.846 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.165 11.387 6.985 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.875 9.472 6.578 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.107 9.567 5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.623 11.864 4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.118 11.183 6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.719 14.038 3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.168 13.223 5.791 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.317 14.495 4.018 1.00 0.00 H new ATOM 866 N PRO A 56 -7.181 9.809 7.606 1.00 0.00 N ATOM 867 CA PRO A 56 -8.498 9.099 7.633 1.00 0.00 C ATOM 868 C PRO A 56 -9.309 8.612 6.351 1.00 0.00 C ATOM 869 O PRO A 56 -10.120 7.714 6.492 1.00 0.00 O ATOM 870 CB PRO A 56 -9.323 9.941 8.554 1.00 0.00 C ATOM 871 CG PRO A 56 -8.959 11.332 8.121 1.00 0.00 C ATOM 872 CD PRO A 56 -7.485 11.217 7.810 1.00 0.00 C ATOM 0 HA PRO A 56 -8.246 8.079 7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.389 9.745 8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.076 9.762 9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.532 11.646 7.249 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.150 12.062 8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.237 11.794 6.919 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.889 11.622 8.628 1.00 0.00 H new ATOM 880 N ASN A 57 -9.089 9.238 5.206 1.00 0.00 N ATOM 881 CA ASN A 57 -9.640 8.956 3.801 1.00 0.00 C ATOM 882 C ASN A 57 -8.971 7.681 3.067 1.00 0.00 C ATOM 883 O ASN A 57 -9.189 7.483 1.851 1.00 0.00 O ATOM 884 CB ASN A 57 -9.663 10.252 2.955 1.00 0.00 C ATOM 885 CG ASN A 57 -8.226 10.769 2.735 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.493 10.315 1.848 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.827 11.708 3.532 1.00 0.00 N ATOM 0 H ASN A 57 -8.464 10.044 5.186 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.676 8.639 3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.139 10.059 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.258 11.014 3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.887 12.092 3.437 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.453 12.064 4.255 1.00 0.00 H new ATOM 894 N VAL A 58 -8.201 6.823 3.792 1.00 0.00 N ATOM 895 CA VAL A 58 -7.171 6.025 3.141 1.00 0.00 C ATOM 896 C VAL A 58 -6.987 4.689 3.915 1.00 0.00 C ATOM 897 O VAL A 58 -6.489 4.605 5.042 1.00 0.00 O ATOM 898 CB VAL A 58 -5.978 6.957 2.747 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.455 8.004 3.727 1.00 0.00 C ATOM 900 CG2 VAL A 58 -4.839 6.180 2.106 1.00 0.00 C ATOM 0 H VAL A 58 -8.284 6.681 4.799 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.417 5.622 2.159 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.481 7.600 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.628 8.548 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.255 8.701 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.108 7.511 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.031 6.865 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.470 5.431 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.198 5.686 1.203 1.00 0.00 H new ATOM 910 N THR A 59 -7.562 3.594 3.316 1.00 0.00 N ATOM 911 CA THR A 59 -7.195 2.200 3.613 1.00 0.00 C ATOM 912 C THR A 59 -5.639 1.963 3.213 1.00 0.00 C ATOM 913 O THR A 59 -5.072 2.462 2.242 1.00 0.00 O ATOM 914 CB THR A 59 -8.066 1.202 2.818 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.440 1.536 2.997 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.896 -0.283 3.154 1.00 0.00 C ATOM 0 H THR A 59 -8.296 3.675 2.612 1.00 0.00 H new ATOM 0 HA THR A 59 -7.355 2.028 4.677 1.00 0.00 H new ATOM 0 HB THR A 59 -7.720 1.308 1.790 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.998 0.907 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.562 -0.876 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.864 -0.582 2.971 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.141 -0.449 4.203 1.00 0.00 H new ATOM 924 N PHE A 60 -5.090 1.065 4.035 1.00 0.00 N ATOM 925 CA PHE A 60 -3.690 0.649 4.021 1.00 0.00 C ATOM 926 C PHE A 60 -3.647 -0.889 4.309 1.00 0.00 C ATOM 927 O PHE A 60 -4.297 -1.480 5.158 1.00 0.00 O ATOM 928 CB PHE A 60 -2.776 1.321 5.109 1.00 0.00 C ATOM 929 CG PHE A 60 -2.700 2.822 5.069 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.776 3.398 4.166 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.620 3.673 5.687 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.782 4.744 3.916 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.478 5.020 5.582 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.599 5.549 4.685 1.00 0.00 C ATOM 0 H PHE A 60 -5.633 0.590 4.757 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.305 0.947 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.136 1.021 6.093 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.767 0.923 5.004 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.056 2.767 3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.445 3.260 6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.164 5.165 3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.064 5.674 6.211 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.540 6.622 4.573 1.00 0.00 H new ATOM 944 N LEU A 61 -2.869 -1.493 3.446 1.00 0.00 N ATOM 945 CA LEU A 61 -2.686 -2.931 3.330 1.00 0.00 C ATOM 946 C LEU A 61 -1.123 -3.185 2.955 1.00 0.00 C ATOM 947 O LEU A 61 -0.376 -2.348 2.506 1.00 0.00 O ATOM 948 CB LEU A 61 -3.783 -3.698 2.527 1.00 0.00 C ATOM 949 CG LEU A 61 -3.868 -3.793 0.989 1.00 0.00 C ATOM 950 CD1 LEU A 61 -3.408 -5.125 0.401 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.286 -3.536 0.565 1.00 0.00 C ATOM 0 H LEU A 61 -2.314 -0.973 2.766 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.875 -3.421 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.749 -4.727 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.735 -3.279 2.851 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.178 -3.042 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.504 -5.096 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.366 -5.300 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.025 -5.931 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.359 -3.600 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.942 -4.280 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.588 -2.541 0.890 1.00 0.00 H new ATOM 963 N LYS A 62 -0.715 -4.443 3.236 1.00 0.00 N ATOM 964 CA LYS A 62 0.739 -4.876 3.187 1.00 0.00 C ATOM 965 C LYS A 62 0.838 -6.360 2.835 1.00 0.00 C ATOM 966 O LYS A 62 0.484 -7.179 3.679 1.00 0.00 O ATOM 967 CB LYS A 62 1.612 -4.561 4.425 1.00 0.00 C ATOM 968 CG LYS A 62 1.293 -4.912 5.911 1.00 0.00 C ATOM 969 CD LYS A 62 2.101 -4.086 6.969 1.00 0.00 C ATOM 970 CE LYS A 62 3.634 -4.220 7.128 1.00 0.00 C ATOM 971 NZ LYS A 62 4.090 -5.441 7.812 1.00 0.00 N ATOM 0 H LYS A 62 -1.356 -5.191 3.501 1.00 0.00 H new ATOM 0 HA LYS A 62 1.167 -4.249 2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.580 -5.019 4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.760 -3.481 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.228 -4.757 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.491 -5.972 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.898 -3.034 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.665 -4.312 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.090 -4.186 6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.003 -3.355 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.128 -5.439 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.690 -5.471 8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.774 -6.276 7.279 1.00 0.00 H new ATOM 984 N VAL A 63 1.328 -6.681 1.668 1.00 0.00 N ATOM 985 CA VAL A 63 1.558 -7.977 1.004 1.00 0.00 C ATOM 986 C VAL A 63 3.031 -8.456 1.287 1.00 0.00 C ATOM 987 O VAL A 63 4.055 -7.907 0.894 1.00 0.00 O ATOM 988 CB VAL A 63 1.238 -7.808 -0.486 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.528 -9.004 -1.387 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.275 -7.575 -0.671 1.00 0.00 C ATOM 0 H VAL A 63 1.629 -5.929 1.048 1.00 0.00 H new ATOM 0 HA VAL A 63 0.906 -8.759 1.394 1.00 0.00 H new ATOM 0 HB VAL A 63 1.886 -6.981 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.259 -8.759 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.589 -9.248 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.943 -9.861 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.498 -7.455 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.825 -8.430 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.573 -6.674 -0.134 1.00 0.00 H new ATOM 1000 N ASP A 64 3.025 -9.596 1.989 1.00 0.00 N ATOM 1001 CA ASP A 64 4.169 -10.537 2.023 1.00 0.00 C ATOM 1002 C ASP A 64 4.378 -11.108 0.606 1.00 0.00 C ATOM 1003 O ASP A 64 3.807 -12.133 0.178 1.00 0.00 O ATOM 1004 CB ASP A 64 3.676 -11.632 2.965 1.00 0.00 C ATOM 1005 CG ASP A 64 4.753 -12.584 3.513 1.00 0.00 C ATOM 1006 OD1 ASP A 64 5.174 -13.568 2.973 1.00 0.00 O ATOM 1007 OD2 ASP A 64 5.224 -12.060 4.687 1.00 0.00 O ATOM 0 H ASP A 64 2.230 -9.899 2.552 1.00 0.00 H new ATOM 0 HA ASP A 64 5.112 -10.092 2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.174 -11.159 3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.927 -12.226 2.440 1.00 0.00 H new ATOM 1013 N VAL A 65 5.326 -10.456 -0.064 1.00 0.00 N ATOM 1014 CA VAL A 65 5.807 -10.891 -1.412 1.00 0.00 C ATOM 1015 C VAL A 65 6.403 -12.383 -1.588 1.00 0.00 C ATOM 1016 O VAL A 65 6.350 -12.779 -2.739 1.00 0.00 O ATOM 1017 CB VAL A 65 6.625 -9.733 -2.042 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.122 -9.834 -1.781 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.358 -9.606 -3.594 1.00 0.00 C ATOM 0 H VAL A 65 5.790 -9.619 0.290 1.00 0.00 H new ATOM 0 HA VAL A 65 4.914 -11.068 -2.012 1.00 0.00 H new ATOM 0 HB VAL A 65 6.272 -8.831 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.631 -8.992 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.306 -9.816 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.502 -10.766 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.949 -8.784 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.641 -10.535 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.299 -9.411 -3.766 1.00 0.00 H new ATOM 1029 N ASP A 66 7.009 -13.014 -0.515 1.00 0.00 N ATOM 1030 CA ASP A 66 7.336 -14.445 -0.561 1.00 0.00 C ATOM 1031 C ASP A 66 6.168 -15.482 -1.028 1.00 0.00 C ATOM 1032 O ASP A 66 6.533 -16.396 -1.791 1.00 0.00 O ATOM 1033 CB ASP A 66 7.983 -14.912 0.753 1.00 0.00 C ATOM 1034 CG ASP A 66 9.405 -14.436 1.113 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.295 -14.164 0.251 1.00 0.00 O ATOM 1036 OD2 ASP A 66 9.552 -14.055 2.424 1.00 0.00 O ATOM 0 H ASP A 66 7.264 -12.547 0.355 1.00 0.00 H new ATOM 0 HA ASP A 66 8.048 -14.492 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.323 -14.611 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.997 -16.002 0.740 1.00 0.00 H new ATOM 1042 N GLU A 67 4.917 -15.242 -0.617 1.00 0.00 N ATOM 1043 CA GLU A 67 3.657 -15.805 -1.119 1.00 0.00 C ATOM 1044 C GLU A 67 3.016 -15.258 -2.504 1.00 0.00 C ATOM 1045 O GLU A 67 2.188 -15.901 -3.132 1.00 0.00 O ATOM 1046 CB GLU A 67 2.603 -15.624 0.003 1.00 0.00 C ATOM 1047 CG GLU A 67 2.843 -16.439 1.297 1.00 0.00 C ATOM 1048 CD GLU A 67 1.604 -16.558 2.192 1.00 0.00 C ATOM 1049 OE1 GLU A 67 1.158 -15.622 2.824 1.00 0.00 O ATOM 1050 OE2 GLU A 67 0.877 -17.707 1.940 1.00 0.00 O ATOM 0 H GLU A 67 4.745 -14.588 0.146 1.00 0.00 H new ATOM 0 HA GLU A 67 3.923 -16.830 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.559 -14.567 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.626 -15.894 -0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.183 -17.439 1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.647 -15.972 1.866 1.00 0.00 H new ATOM 1058 N LEU A 68 3.353 -14.020 -2.860 1.00 0.00 N ATOM 1059 CA LEU A 68 2.614 -13.121 -3.792 1.00 0.00 C ATOM 1060 C LEU A 68 3.526 -12.316 -4.769 1.00 0.00 C ATOM 1061 O LEU A 68 3.189 -11.231 -5.231 1.00 0.00 O ATOM 1062 CB LEU A 68 1.540 -12.244 -3.084 1.00 0.00 C ATOM 1063 CG LEU A 68 0.308 -13.051 -2.543 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -0.704 -12.055 -1.901 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -0.513 -13.882 -3.558 1.00 0.00 C ATOM 0 H LEU A 68 4.195 -13.577 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 68 2.058 -13.800 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.008 -11.716 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.186 -11.487 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 68 0.766 -13.766 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.565 -12.605 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.221 -11.525 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.034 -11.337 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.331 -14.384 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.919 -13.222 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.132 -14.626 -4.025 1.00 0.00 H new ATOM 1077 N LYS A 69 4.600 -12.990 -5.231 1.00 0.00 N ATOM 1078 CA LYS A 69 5.472 -12.571 -6.360 1.00 0.00 C ATOM 1079 C LYS A 69 4.918 -12.217 -7.790 1.00 0.00 C ATOM 1080 O LYS A 69 5.261 -11.222 -8.413 1.00 0.00 O ATOM 1081 CB LYS A 69 6.806 -13.436 -6.430 1.00 0.00 C ATOM 1082 CG LYS A 69 6.558 -14.833 -6.966 1.00 0.00 C ATOM 1083 CD LYS A 69 7.639 -15.895 -6.669 1.00 0.00 C ATOM 1084 CE LYS A 69 7.708 -16.135 -5.144 1.00 0.00 C ATOM 1085 NZ LYS A 69 8.477 -17.402 -4.888 1.00 0.00 N ATOM 0 H LYS A 69 4.899 -13.873 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 69 5.643 -11.546 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.532 -12.929 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.245 -13.504 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.611 -15.189 -6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.436 -14.765 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.404 -16.825 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.607 -15.560 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.193 -15.293 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.703 -16.212 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.530 -17.575 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.995 -18.200 -5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.438 -17.309 -5.274 1.00 0.00 H new ATOM 1098 N ALA A 70 4.009 -13.104 -8.338 1.00 0.00 N ATOM 1099 CA ALA A 70 3.290 -12.974 -9.571 1.00 0.00 C ATOM 1100 C ALA A 70 2.244 -11.765 -9.601 1.00 0.00 C ATOM 1101 O ALA A 70 2.381 -10.856 -10.392 1.00 0.00 O ATOM 1102 CB ALA A 70 2.610 -14.328 -9.953 1.00 0.00 C ATOM 0 H ALA A 70 3.776 -13.974 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 70 4.034 -12.720 -10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.068 -14.211 -10.892 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.372 -15.099 -10.067 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.914 -14.620 -9.167 1.00 0.00 H new ATOM 1108 N VAL A 71 1.272 -11.801 -8.682 1.00 0.00 N ATOM 1109 CA VAL A 71 0.420 -10.577 -8.431 1.00 0.00 C ATOM 1110 C VAL A 71 1.075 -9.305 -8.108 1.00 0.00 C ATOM 1111 O VAL A 71 0.959 -8.415 -8.889 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.831 -11.002 -7.643 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.558 -11.096 -6.170 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.890 -9.857 -7.906 1.00 0.00 C ATOM 0 H VAL A 71 1.043 -12.614 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 71 0.084 -10.204 -9.398 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.173 -11.987 -7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.467 -11.399 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.225 -11.833 -5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.233 -10.124 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.814 -10.087 -7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.494 -8.906 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.093 -9.787 -8.975 1.00 0.00 H new ATOM 1124 N ALA A 72 2.056 -9.282 -7.184 1.00 0.00 N ATOM 1125 CA ALA A 72 2.917 -8.127 -6.914 1.00 0.00 C ATOM 1126 C ALA A 72 3.571 -7.546 -8.175 1.00 0.00 C ATOM 1127 O ALA A 72 3.382 -6.335 -8.376 1.00 0.00 O ATOM 1128 CB ALA A 72 3.964 -8.282 -5.817 1.00 0.00 C ATOM 0 H ALA A 72 2.272 -10.086 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 72 2.189 -7.419 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.531 -7.356 -5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.470 -8.505 -4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.641 -9.097 -6.073 1.00 0.00 H new ATOM 1134 N GLU A 73 4.131 -8.371 -9.117 1.00 0.00 N ATOM 1135 CA GLU A 73 4.610 -8.010 -10.459 1.00 0.00 C ATOM 1136 C GLU A 73 3.520 -7.294 -11.289 1.00 0.00 C ATOM 1137 O GLU A 73 3.772 -6.186 -11.780 1.00 0.00 O ATOM 1138 CB GLU A 73 5.332 -9.158 -11.216 1.00 0.00 C ATOM 1139 CG GLU A 73 6.393 -8.840 -12.338 1.00 0.00 C ATOM 1140 CD GLU A 73 7.201 -9.999 -12.819 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.747 -10.888 -13.558 1.00 0.00 O ATOM 1142 OE2 GLU A 73 8.496 -10.033 -12.297 1.00 0.00 O ATOM 0 H GLU A 73 4.260 -9.365 -8.929 1.00 0.00 H new ATOM 0 HA GLU A 73 5.403 -7.279 -10.303 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.832 -9.772 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.559 -9.777 -11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.872 -8.406 -13.191 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.075 -8.078 -11.960 1.00 0.00 H new ATOM 1150 N GLU A 74 2.368 -7.938 -11.472 1.00 0.00 N ATOM 1151 CA GLU A 74 1.168 -7.372 -12.220 1.00 0.00 C ATOM 1152 C GLU A 74 0.679 -5.957 -11.754 1.00 0.00 C ATOM 1153 O GLU A 74 0.730 -5.103 -12.695 1.00 0.00 O ATOM 1154 CB GLU A 74 0.002 -8.365 -12.433 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.211 -8.547 -11.456 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.438 -7.697 -11.801 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.589 -6.543 -11.395 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.316 -8.502 -12.451 1.00 0.00 O ATOM 0 H GLU A 74 2.206 -8.879 -11.114 1.00 0.00 H new ATOM 0 HA GLU A 74 1.591 -7.203 -13.210 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.429 -8.118 -13.403 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.460 -9.349 -12.529 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.502 -9.597 -11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.887 -8.301 -10.445 1.00 0.00 H new ATOM 1166 N TRP A 75 0.384 -5.739 -10.406 1.00 0.00 N ATOM 1167 CA TRP A 75 0.006 -4.428 -9.832 1.00 0.00 C ATOM 1168 C TRP A 75 1.111 -3.317 -10.202 1.00 0.00 C ATOM 1169 O TRP A 75 0.682 -2.301 -10.763 1.00 0.00 O ATOM 1170 CB TRP A 75 -0.122 -4.351 -8.349 1.00 0.00 C ATOM 1171 CG TRP A 75 -1.155 -5.344 -7.683 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.834 -6.328 -6.780 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.519 -5.355 -7.835 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.953 -6.958 -6.328 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.989 -6.454 -7.085 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -3.375 -4.746 -8.851 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -4.287 -6.920 -7.294 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.664 -5.221 -9.015 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -5.150 -6.284 -8.235 1.00 0.00 C ATOM 0 H TRP A 75 0.410 -6.486 -9.712 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.980 -4.262 -10.267 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.859 -4.534 -7.911 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.406 -3.333 -8.082 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.172 -6.570 -6.470 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.012 -7.655 -5.586 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.007 -3.937 -9.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.643 -7.773 -6.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.307 -4.767 -9.755 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.171 -6.618 -8.347 1.00 0.00 H new ATOM 1190 N ASN A 76 2.470 -3.622 -10.052 1.00 0.00 N ATOM 1191 CA ASN A 76 3.688 -3.027 -10.743 1.00 0.00 C ATOM 1192 C ASN A 76 5.008 -3.111 -9.933 1.00 0.00 C ATOM 1193 O ASN A 76 5.398 -2.090 -9.346 1.00 0.00 O ATOM 1194 CB ASN A 76 3.568 -1.771 -11.669 1.00 0.00 C ATOM 1195 CG ASN A 76 4.691 -1.114 -12.511 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.469 -0.376 -11.943 1.00 0.00 O ATOM 1197 ND2 ASN A 76 4.945 -1.486 -13.719 1.00 0.00 N ATOM 0 H ASN A 76 2.754 -4.346 -9.393 1.00 0.00 H new ATOM 0 HA ASN A 76 3.742 -3.768 -11.541 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.779 -2.013 -12.381 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.187 -0.976 -11.028 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.791 -1.160 -14.186 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.300 -2.106 -14.208 1.00 0.00 H new ATOM 1204 N VAL A 77 5.617 -4.267 -9.677 1.00 0.00 N ATOM 1205 CA VAL A 77 6.643 -4.541 -8.638 1.00 0.00 C ATOM 1206 C VAL A 77 7.585 -5.581 -9.294 1.00 0.00 C ATOM 1207 O VAL A 77 7.795 -6.764 -9.005 1.00 0.00 O ATOM 1208 CB VAL A 77 5.974 -5.038 -7.236 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.063 -5.375 -6.185 1.00 0.00 C ATOM 1210 CG2 VAL A 77 4.821 -4.236 -6.745 1.00 0.00 C ATOM 0 H VAL A 77 5.401 -5.103 -10.220 1.00 0.00 H new ATOM 0 HA VAL A 77 7.197 -3.650 -8.342 1.00 0.00 H new ATOM 0 HB VAL A 77 5.468 -5.977 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.587 -5.703 -5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.703 -6.171 -6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.665 -4.488 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.458 -4.657 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.138 -3.206 -6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.022 -4.256 -7.486 1.00 0.00 H new ATOM 1220 N GLU A 78 8.457 -4.890 -10.063 1.00 0.00 N ATOM 1221 CA GLU A 78 9.859 -5.376 -10.322 1.00 0.00 C ATOM 1222 C GLU A 78 11.007 -5.346 -9.212 1.00 0.00 C ATOM 1223 O GLU A 78 12.107 -5.821 -9.545 1.00 0.00 O ATOM 1224 CB GLU A 78 10.343 -4.573 -11.598 1.00 0.00 C ATOM 1225 CG GLU A 78 10.653 -3.002 -11.475 1.00 0.00 C ATOM 1226 CD GLU A 78 10.658 -2.112 -12.745 1.00 0.00 C ATOM 1227 OE1 GLU A 78 11.518 -2.272 -13.681 1.00 0.00 O ATOM 1228 OE2 GLU A 78 9.518 -1.380 -12.746 1.00 0.00 O ATOM 0 H GLU A 78 8.232 -4.004 -10.516 1.00 0.00 H new ATOM 0 HA GLU A 78 9.740 -6.457 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.249 -5.057 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.582 -4.696 -12.369 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.921 -2.580 -10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.631 -2.900 -11.004 1.00 0.00 H new ATOM 1236 N ALA A 79 10.622 -4.790 -7.964 1.00 0.00 N ATOM 1237 CA ALA A 79 11.589 -4.281 -6.968 1.00 0.00 C ATOM 1238 C ALA A 79 11.072 -4.469 -5.436 1.00 0.00 C ATOM 1239 O ALA A 79 10.104 -3.784 -5.128 1.00 0.00 O ATOM 1240 CB ALA A 79 12.352 -2.938 -7.373 1.00 0.00 C ATOM 0 H ALA A 79 9.649 -4.704 -7.670 1.00 0.00 H new ATOM 0 HA ALA A 79 12.452 -4.947 -6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.036 -2.653 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.916 -3.103 -8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.626 -2.140 -7.531 1.00 0.00 H new ATOM 1246 N MET A 80 11.795 -5.143 -4.509 1.00 0.00 N ATOM 1247 CA MET A 80 11.779 -4.837 -3.020 1.00 0.00 C ATOM 1248 C MET A 80 12.415 -3.397 -2.620 1.00 0.00 C ATOM 1249 O MET A 80 13.686 -3.296 -2.592 1.00 0.00 O ATOM 1250 CB MET A 80 12.215 -6.124 -2.288 1.00 0.00 C ATOM 1251 CG MET A 80 11.273 -7.407 -2.270 1.00 0.00 C ATOM 1252 SD MET A 80 9.697 -6.803 -1.759 1.00 0.00 S ATOM 1253 CE MET A 80 8.667 -6.564 -3.222 1.00 0.00 C ATOM 0 H MET A 80 12.412 -5.918 -4.752 1.00 0.00 H new ATOM 0 HA MET A 80 10.780 -4.620 -2.642 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.168 -6.431 -2.719 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.408 -5.853 -1.250 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.218 -7.871 -3.255 1.00 0.00 H new ATOM 0 HG3 MET A 80 11.649 -8.164 -1.581 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.616 -6.646 -2.945 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.855 -5.576 -3.642 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.907 -7.325 -3.964 1.00 0.00 H new ATOM 1263 N PRO A 81 11.702 -2.301 -2.149 1.00 0.00 N ATOM 1264 CA PRO A 81 10.168 -2.248 -2.109 1.00 0.00 C ATOM 1265 C PRO A 81 9.361 -0.992 -2.281 1.00 0.00 C ATOM 1266 O PRO A 81 9.747 0.158 -2.095 1.00 0.00 O ATOM 1267 CB PRO A 81 10.037 -2.557 -0.596 1.00 0.00 C ATOM 1268 CG PRO A 81 11.359 -1.895 -0.038 1.00 0.00 C ATOM 1269 CD PRO A 81 12.299 -1.440 -1.086 1.00 0.00 C ATOM 0 HA PRO A 81 9.793 -2.846 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.140 -2.116 -0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.996 -3.628 -0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.090 -1.044 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.869 -2.613 0.604 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.240 -0.372 -1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.343 -1.665 -0.870 1.00 0.00 H new ATOM 1277 N THR A 82 8.154 -1.415 -2.767 1.00 0.00 N ATOM 1278 CA THR A 82 7.280 -0.757 -3.836 1.00 0.00 C ATOM 1279 C THR A 82 5.991 -0.430 -3.030 1.00 0.00 C ATOM 1280 O THR A 82 5.528 -1.303 -2.318 1.00 0.00 O ATOM 1281 CB THR A 82 7.119 -1.727 -5.001 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.483 -1.984 -5.465 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.407 -1.091 -6.186 1.00 0.00 C ATOM 0 H THR A 82 7.725 -2.271 -2.415 1.00 0.00 H new ATOM 0 HA THR A 82 7.663 0.145 -4.313 1.00 0.00 H new ATOM 0 HB THR A 82 6.554 -2.599 -4.672 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.890 -2.684 -4.913 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.316 -1.821 -6.990 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.414 -0.763 -5.880 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.980 -0.233 -6.537 1.00 0.00 H new ATOM 1291 N PHE A 83 5.514 0.767 -3.356 1.00 0.00 N ATOM 1292 CA PHE A 83 4.422 1.567 -2.685 1.00 0.00 C ATOM 1293 C PHE A 83 3.578 2.031 -3.900 1.00 0.00 C ATOM 1294 O PHE A 83 3.889 3.038 -4.613 1.00 0.00 O ATOM 1295 CB PHE A 83 4.822 2.703 -1.770 1.00 0.00 C ATOM 1296 CG PHE A 83 5.727 2.419 -0.529 1.00 0.00 C ATOM 1297 CD1 PHE A 83 5.266 2.076 0.786 1.00 0.00 C ATOM 1298 CD2 PHE A 83 7.050 2.702 -0.788 1.00 0.00 C ATOM 1299 CE1 PHE A 83 6.243 1.816 1.747 1.00 0.00 C ATOM 1300 CE2 PHE A 83 7.997 2.620 0.212 1.00 0.00 C ATOM 1301 CZ PHE A 83 7.564 2.137 1.491 1.00 0.00 C ATOM 0 H PHE A 83 5.893 1.269 -4.159 1.00 0.00 H new ATOM 0 HA PHE A 83 3.900 0.953 -1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.332 3.448 -2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.905 3.164 -1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.213 2.022 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.349 2.991 -1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 83 5.969 1.365 2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.023 2.908 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.293 2.020 2.280 1.00 0.00 H new ATOM 1311 N ILE A 84 2.367 1.457 -4.003 1.00 0.00 N ATOM 1312 CA ILE A 84 1.320 1.511 -5.072 1.00 0.00 C ATOM 1313 C ILE A 84 -0.036 1.993 -4.502 1.00 0.00 C ATOM 1314 O ILE A 84 -0.398 1.817 -3.361 1.00 0.00 O ATOM 1315 CB ILE A 84 1.212 0.116 -5.823 1.00 0.00 C ATOM 1316 CG1 ILE A 84 2.473 -0.231 -6.592 1.00 0.00 C ATOM 1317 CG2 ILE A 84 0.105 0.082 -6.928 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.563 -1.671 -7.094 1.00 0.00 C ATOM 0 H ILE A 84 2.044 0.861 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 84 1.619 2.248 -5.817 1.00 0.00 H new ATOM 0 HB ILE A 84 1.001 -0.576 -5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.551 0.439 -7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.333 -0.033 -5.953 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.090 -0.902 -7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.866 0.284 -6.476 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.319 0.840 -7.681 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.502 -1.812 -7.629 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.523 -2.355 -6.246 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.729 -1.875 -7.765 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.660 2.646 -5.451 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.839 3.597 -5.263 1.00 0.00 C ATOM 1332 C PHE A 85 -2.993 3.251 -6.282 1.00 0.00 C ATOM 1333 O PHE A 85 -2.765 3.223 -7.489 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.335 5.127 -5.470 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.480 5.740 -4.350 1.00 0.00 C ATOM 1336 CD1 PHE A 85 0.869 5.428 -4.310 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -1.012 6.597 -3.424 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.729 5.946 -3.332 1.00 0.00 C ATOM 1339 CE2 PHE A 85 -0.127 7.242 -2.512 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.231 6.951 -2.511 1.00 0.00 C ATOM 0 H PHE A 85 -0.386 2.559 -6.430 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.235 3.485 -4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.762 5.172 -6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.214 5.757 -5.608 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.272 4.762 -5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.076 6.780 -3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.739 5.579 -3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.517 7.966 -1.813 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.901 7.506 -1.871 1.00 0.00 H new ATOM 1350 N LEU A 86 -4.082 2.784 -5.585 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.282 2.155 -6.257 1.00 0.00 C ATOM 1352 C LEU A 86 -6.480 2.785 -5.449 1.00 0.00 C ATOM 1353 O LEU A 86 -6.599 2.731 -4.221 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.208 0.607 -6.095 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.161 -0.310 -6.976 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.632 0.108 -7.169 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.610 -0.642 -8.350 1.00 0.00 C ATOM 0 H LEU A 86 -4.157 2.829 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.364 2.335 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.181 0.304 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.406 0.377 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.173 -1.179 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.140 -0.626 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.125 0.161 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.672 1.085 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.322 -1.271 -8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.448 0.279 -8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.664 -1.174 -8.244 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.292 3.458 -6.223 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.405 4.354 -5.816 1.00 0.00 C ATOM 1371 C LYS A 87 -9.684 3.890 -6.512 1.00 0.00 C ATOM 1372 O LYS A 87 -9.614 2.925 -7.277 1.00 0.00 O ATOM 1373 CB LYS A 87 -7.960 5.793 -6.365 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.635 6.973 -5.616 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.086 8.313 -6.117 1.00 0.00 C ATOM 1376 CE LYS A 87 -8.478 9.509 -5.297 1.00 0.00 C ATOM 1377 NZ LYS A 87 -7.690 10.607 -5.859 1.00 0.00 N ATOM 0 H LYS A 87 -7.207 3.407 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.595 4.363 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.878 5.888 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.201 5.860 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.714 6.937 -5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.459 6.879 -4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.998 8.254 -6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.426 8.467 -7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.547 9.708 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.254 9.358 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.850 11.470 -5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.680 10.359 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.979 10.773 -6.844 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.887 4.509 -6.163 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.117 4.522 -7.057 1.00 0.00 C ATOM 1392 C ASP A 88 -12.042 4.882 -8.581 1.00 0.00 C ATOM 1393 O ASP A 88 -12.982 5.505 -9.109 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.194 5.336 -6.186 1.00 0.00 C ATOM 1395 CG ASP A 88 -12.977 6.871 -6.017 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -13.421 7.680 -6.864 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.499 7.194 -4.770 1.00 0.00 O ATOM 0 H ASP A 88 -11.023 4.998 -5.278 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.382 3.489 -7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.175 5.183 -6.637 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.227 4.890 -5.192 1.00 0.00 H new ATOM 1403 N GLY A 89 -10.948 4.657 -9.159 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.650 4.962 -10.530 1.00 0.00 C ATOM 1405 C GLY A 89 -9.436 4.179 -11.051 1.00 0.00 C ATOM 1406 O GLY A 89 -8.562 4.805 -11.687 1.00 0.00 O ATOM 0 H GLY A 89 -10.162 4.224 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.519 4.734 -11.148 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.460 6.031 -10.629 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.364 2.834 -10.835 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.097 2.049 -11.128 1.00 0.00 C ATOM 1412 C LYS A 90 -6.735 2.646 -10.553 1.00 0.00 C ATOM 1413 O LYS A 90 -6.701 3.571 -9.733 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.090 1.551 -12.629 1.00 0.00 C ATOM 1415 CG LYS A 90 -9.036 0.439 -12.989 1.00 0.00 C ATOM 1416 CD LYS A 90 -9.301 0.081 -14.412 1.00 0.00 C ATOM 1417 CE LYS A 90 -10.117 1.207 -15.193 1.00 0.00 C ATOM 1418 NZ LYS A 90 -10.059 1.084 -16.714 1.00 0.00 N ATOM 0 H LYS A 90 -10.134 2.273 -10.471 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.135 1.151 -10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.313 2.405 -13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.078 1.226 -12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.670 -0.462 -12.497 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.998 0.681 -12.537 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.353 -0.092 -14.921 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.858 -0.855 -14.448 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.159 1.169 -14.877 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.732 2.185 -14.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.613 1.851 -17.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.070 1.150 -17.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.454 0.167 -17.003 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.655 2.081 -10.908 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.248 2.334 -10.488 1.00 0.00 C ATOM 1433 C LEU A 91 -3.796 3.795 -10.805 1.00 0.00 C ATOM 1434 O LEU A 91 -3.429 4.199 -11.938 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.383 1.284 -11.273 1.00 0.00 C ATOM 1436 CG LEU A 91 -1.834 1.208 -11.293 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.428 1.307 -9.820 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -1.267 -0.064 -11.892 1.00 0.00 C ATOM 0 H LEU A 91 -5.688 1.323 -11.589 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.134 2.228 -9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.721 0.307 -10.926 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.686 1.374 -12.316 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.440 2.002 -11.928 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.342 1.261 -9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.784 2.251 -9.407 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.869 0.479 -9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.178 -0.026 -11.863 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.616 -0.923 -11.319 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.599 -0.159 -12.926 1.00 0.00 H new ATOM 1450 N VAL A 92 -3.791 4.634 -9.761 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.345 6.046 -9.683 1.00 0.00 C ATOM 1452 C VAL A 92 -1.829 6.320 -9.759 1.00 0.00 C ATOM 1453 O VAL A 92 -1.444 7.277 -10.440 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.278 6.997 -8.762 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.752 7.117 -9.149 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.099 6.777 -7.215 1.00 0.00 C ATOM 0 H VAL A 92 -4.132 4.316 -8.854 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.570 6.443 -10.673 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.864 7.975 -9.006 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.259 7.783 -8.450 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.831 7.522 -10.158 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.218 6.132 -9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.760 7.453 -6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.348 5.746 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.065 6.979 -6.936 1.00 0.00 H new ATOM 1466 N ASP A 93 -0.928 5.592 -9.108 1.00 0.00 N ATOM 1467 CA ASP A 93 0.539 5.972 -9.029 1.00 0.00 C ATOM 1468 C ASP A 93 1.413 4.750 -8.498 1.00 0.00 C ATOM 1469 O ASP A 93 1.001 3.853 -7.815 1.00 0.00 O ATOM 1470 CB ASP A 93 0.766 7.328 -8.309 1.00 0.00 C ATOM 1471 CG ASP A 93 2.128 8.024 -8.602 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.324 8.736 -9.574 1.00 0.00 O ATOM 1473 OD2 ASP A 93 2.955 7.873 -7.552 1.00 0.00 O ATOM 0 H ASP A 93 -1.156 4.728 -8.616 1.00 0.00 H new ATOM 0 HA ASP A 93 0.907 6.166 -10.037 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.038 8.008 -8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.684 7.167 -7.234 1.00 0.00 H new ATOM 1479 N LYS A 94 2.741 4.942 -8.639 1.00 0.00 N ATOM 1480 CA LYS A 94 3.703 3.819 -8.376 1.00 0.00 C ATOM 1481 C LYS A 94 5.130 4.405 -8.082 1.00 0.00 C ATOM 1482 O LYS A 94 5.650 5.305 -8.738 1.00 0.00 O ATOM 1483 CB LYS A 94 3.761 2.789 -9.548 1.00 0.00 C ATOM 1484 CG LYS A 94 4.028 3.293 -10.995 1.00 0.00 C ATOM 1485 CD LYS A 94 2.836 3.846 -11.849 1.00 0.00 C ATOM 1486 CE LYS A 94 1.492 3.132 -11.718 1.00 0.00 C ATOM 1487 NZ LYS A 94 0.325 3.738 -12.392 1.00 0.00 N ATOM 0 H LYS A 94 3.172 5.822 -8.921 1.00 0.00 H new ATOM 0 HA LYS A 94 3.342 3.274 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.537 2.062 -9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.813 2.252 -9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.779 4.080 -10.934 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.474 2.469 -11.551 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.689 4.893 -11.585 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.131 3.820 -12.898 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.612 2.118 -12.101 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.259 3.046 -10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.436 3.888 -11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.600 4.651 -12.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.011 3.102 -13.143 1.00 0.00 H new ATOM 1500 N THR A 95 5.821 4.003 -6.946 1.00 0.00 N ATOM 1501 CA THR A 95 7.138 4.527 -6.429 1.00 0.00 C ATOM 1502 C THR A 95 7.727 3.309 -5.516 1.00 0.00 C ATOM 1503 O THR A 95 7.032 2.554 -4.910 1.00 0.00 O ATOM 1504 CB THR A 95 6.988 5.873 -5.636 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.264 6.793 -6.231 1.00 0.00 O ATOM 1506 CG2 THR A 95 8.337 6.506 -5.202 1.00 0.00 C ATOM 0 H THR A 95 5.450 3.269 -6.343 1.00 0.00 H new ATOM 0 HA THR A 95 7.819 4.791 -7.238 1.00 0.00 H new ATOM 0 HB THR A 95 6.447 5.545 -4.748 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.224 7.593 -5.667 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.147 7.432 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.874 5.811 -4.556 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.939 6.720 -6.085 1.00 0.00 H new ATOM 1514 N VAL A 96 8.984 3.302 -5.500 1.00 0.00 N ATOM 1515 CA VAL A 96 9.845 2.239 -4.882 1.00 0.00 C ATOM 1516 C VAL A 96 11.049 2.995 -4.355 1.00 0.00 C ATOM 1517 O VAL A 96 11.992 3.393 -5.060 1.00 0.00 O ATOM 1518 CB VAL A 96 10.049 0.995 -5.823 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.367 1.454 -7.247 1.00 0.00 C ATOM 1520 CG2 VAL A 96 11.136 0.023 -5.348 1.00 0.00 C ATOM 0 H VAL A 96 9.532 4.050 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 96 9.400 1.710 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 96 9.107 0.448 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.506 0.583 -7.888 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.542 2.057 -7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.280 2.050 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.214 -0.807 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 96 12.092 0.544 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.875 -0.360 -4.362 1.00 0.00 H new ATOM 1530 N GLY A 97 10.962 3.156 -3.055 1.00 0.00 N ATOM 1531 CA GLY A 97 12.002 3.615 -2.206 1.00 0.00 C ATOM 1532 C GLY A 97 11.549 3.994 -0.769 1.00 0.00 C ATOM 1533 O GLY A 97 11.093 5.108 -0.514 1.00 0.00 O ATOM 0 H GLY A 97 10.103 2.953 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.766 2.840 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.470 4.485 -2.666 1.00 0.00 H new ATOM 1537 N ALA A 98 11.609 3.003 0.173 1.00 0.00 N ATOM 1538 CA ALA A 98 11.423 3.309 1.600 1.00 0.00 C ATOM 1539 C ALA A 98 12.196 4.531 2.201 1.00 0.00 C ATOM 1540 O ALA A 98 13.378 4.706 2.108 1.00 0.00 O ATOM 1541 CB ALA A 98 11.738 2.069 2.402 1.00 0.00 C ATOM 0 H ALA A 98 11.780 2.019 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 98 10.381 3.622 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.605 2.279 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.067 1.263 2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.770 1.769 2.218 1.00 0.00 H new ATOM 1547 N ASP A 99 11.441 5.471 2.712 1.00 0.00 N ATOM 1548 CA ASP A 99 11.944 6.827 3.213 1.00 0.00 C ATOM 1549 C ASP A 99 10.938 7.345 4.212 1.00 0.00 C ATOM 1550 O ASP A 99 9.812 7.627 3.924 1.00 0.00 O ATOM 1551 CB ASP A 99 12.207 7.824 2.066 1.00 0.00 C ATOM 1552 CG ASP A 99 13.072 9.091 2.296 1.00 0.00 C ATOM 1553 OD1 ASP A 99 14.099 9.107 2.985 1.00 0.00 O ATOM 1554 OD2 ASP A 99 12.552 10.219 1.698 1.00 0.00 O ATOM 0 H ASP A 99 10.432 5.361 2.815 1.00 0.00 H new ATOM 0 HA ASP A 99 12.914 6.705 3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.671 7.263 1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.235 8.161 1.706 1.00 0.00 H new ATOM 1560 N LYS A 100 11.500 7.729 5.385 1.00 0.00 N ATOM 1561 CA LYS A 100 10.825 8.314 6.526 1.00 0.00 C ATOM 1562 C LYS A 100 9.742 9.489 6.190 1.00 0.00 C ATOM 1563 O LYS A 100 8.531 9.425 6.310 1.00 0.00 O ATOM 1564 CB LYS A 100 11.569 8.556 7.833 1.00 0.00 C ATOM 1565 CG LYS A 100 12.813 9.476 7.850 1.00 0.00 C ATOM 1566 CD LYS A 100 14.121 8.916 7.172 1.00 0.00 C ATOM 1567 CE LYS A 100 15.262 9.989 7.208 1.00 0.00 C ATOM 1568 NZ LYS A 100 16.387 9.236 6.514 1.00 0.00 N ATOM 0 H LYS A 100 12.501 7.623 5.550 1.00 0.00 H new ATOM 0 HA LYS A 100 10.271 7.411 6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.852 8.965 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.878 7.584 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.550 10.412 7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.044 9.715 8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.447 8.013 7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.911 8.635 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.988 10.901 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.525 10.278 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.231 9.841 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.610 8.374 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.090 8.978 5.552 1.00 0.00 H new ATOM 1581 N ASP A 101 10.313 10.548 5.579 1.00 0.00 N ATOM 1582 CA ASP A 101 9.607 11.801 5.029 1.00 0.00 C ATOM 1583 C ASP A 101 8.844 11.576 3.705 1.00 0.00 C ATOM 1584 O ASP A 101 7.649 12.000 3.599 1.00 0.00 O ATOM 1585 CB ASP A 101 10.531 13.004 5.207 1.00 0.00 C ATOM 1586 CG ASP A 101 11.781 13.158 4.311 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.398 12.269 3.691 1.00 0.00 O ATOM 1588 OD2 ASP A 101 12.115 14.443 4.151 1.00 0.00 O ATOM 0 H ASP A 101 11.322 10.589 5.432 1.00 0.00 H new ATOM 0 HA ASP A 101 8.730 12.066 5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.925 13.900 5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.873 13.000 6.242 1.00 0.00 H new ATOM 1594 N GLY A 102 9.530 11.008 2.710 1.00 0.00 N ATOM 1595 CA GLY A 102 8.917 10.626 1.431 1.00 0.00 C ATOM 1596 C GLY A 102 7.532 10.015 1.317 1.00 0.00 C ATOM 1597 O GLY A 102 6.705 10.335 0.465 1.00 0.00 O ATOM 0 H GLY A 102 10.527 10.799 2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.908 11.525 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.603 9.922 0.959 1.00 0.00 H new ATOM 1601 N LEU A 103 7.357 8.892 2.012 1.00 0.00 N ATOM 1602 CA LEU A 103 5.996 8.234 2.207 1.00 0.00 C ATOM 1603 C LEU A 103 4.826 9.237 2.588 1.00 0.00 C ATOM 1604 O LEU A 103 3.899 9.374 1.777 1.00 0.00 O ATOM 1605 CB LEU A 103 6.262 6.897 3.019 1.00 0.00 C ATOM 1606 CG LEU A 103 5.010 6.083 3.419 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.297 5.505 2.105 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.381 4.877 4.254 1.00 0.00 C ATOM 0 H LEU A 103 8.122 8.391 2.464 1.00 0.00 H new ATOM 0 HA LEU A 103 5.517 7.907 1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.911 6.257 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.811 7.150 3.926 1.00 0.00 H new ATOM 0 HG LEU A 103 4.360 6.755 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.415 4.932 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.999 6.331 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.991 4.858 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.478 4.326 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.047 4.230 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.886 5.205 5.163 1.00 0.00 H new ATOM 1620 N PRO A 104 4.795 9.993 3.721 1.00 0.00 N ATOM 1621 CA PRO A 104 3.854 11.103 3.966 1.00 0.00 C ATOM 1622 C PRO A 104 3.799 12.261 2.938 1.00 0.00 C ATOM 1623 O PRO A 104 2.686 12.834 2.743 1.00 0.00 O ATOM 1624 CB PRO A 104 4.350 11.630 5.336 1.00 0.00 C ATOM 1625 CG PRO A 104 5.095 10.549 6.040 1.00 0.00 C ATOM 1626 CD PRO A 104 5.683 9.762 4.870 1.00 0.00 C ATOM 0 HA PRO A 104 2.831 10.731 3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.994 12.498 5.193 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.504 11.957 5.940 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.870 10.946 6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.439 9.935 6.657 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.697 10.095 4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.741 8.700 5.108 1.00 0.00 H new ATOM 1634 N THR A 105 4.856 12.655 2.309 1.00 0.00 N ATOM 1635 CA THR A 105 4.847 13.602 1.134 1.00 0.00 C ATOM 1636 C THR A 105 4.006 13.091 -0.133 1.00 0.00 C ATOM 1637 O THR A 105 3.081 13.836 -0.531 1.00 0.00 O ATOM 1638 CB THR A 105 6.319 13.918 0.809 1.00 0.00 C ATOM 1639 OG1 THR A 105 7.220 14.105 1.892 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.546 15.236 0.022 1.00 0.00 C ATOM 0 H THR A 105 5.794 12.347 2.567 1.00 0.00 H new ATOM 0 HA THR A 105 4.310 14.511 1.407 1.00 0.00 H new ATOM 0 HB THR A 105 6.526 13.001 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.400 13.242 2.321 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.612 15.372 -0.160 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.019 15.186 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.167 16.077 0.603 1.00 0.00 H new ATOM 1648 N LEU A 106 4.408 11.903 -0.682 1.00 0.00 N ATOM 1649 CA LEU A 106 3.649 11.189 -1.735 1.00 0.00 C ATOM 1650 C LEU A 106 2.089 11.015 -1.477 1.00 0.00 C ATOM 1651 O LEU A 106 1.312 11.577 -2.270 1.00 0.00 O ATOM 1652 CB LEU A 106 4.466 9.902 -2.054 1.00 0.00 C ATOM 1653 CG LEU A 106 4.096 8.996 -3.246 1.00 0.00 C ATOM 1654 CD1 LEU A 106 4.167 9.627 -4.655 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.913 7.654 -3.311 1.00 0.00 C ATOM 0 H LEU A 106 5.264 11.424 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 106 3.573 11.800 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.502 10.210 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.440 9.279 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 106 3.048 8.811 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.883 8.885 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.484 10.475 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.184 9.967 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.593 7.075 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.976 7.879 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.737 7.077 -2.403 1.00 0.00 H new ATOM 1667 N VAL A 107 1.663 10.439 -0.382 1.00 0.00 N ATOM 1668 CA VAL A 107 0.283 10.353 0.157 1.00 0.00 C ATOM 1669 C VAL A 107 -0.473 11.730 0.326 1.00 0.00 C ATOM 1670 O VAL A 107 -1.564 11.856 -0.194 1.00 0.00 O ATOM 1671 CB VAL A 107 0.319 9.457 1.423 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -0.973 9.447 2.251 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.617 7.997 1.043 1.00 0.00 C ATOM 0 H VAL A 107 2.322 9.963 0.234 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.353 9.882 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 107 1.104 9.900 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.847 8.792 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.194 10.458 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.796 9.083 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.638 7.384 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.160 7.630 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.584 7.941 0.543 1.00 0.00 H new ATOM 1683 N ALA A 108 0.087 12.716 1.035 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.457 14.064 1.139 1.00 0.00 C ATOM 1685 C ALA A 108 -0.934 14.664 -0.225 1.00 0.00 C ATOM 1686 O ALA A 108 -2.112 15.000 -0.365 1.00 0.00 O ATOM 1687 CB ALA A 108 0.641 14.926 1.854 1.00 0.00 C ATOM 0 H ALA A 108 0.951 12.591 1.563 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.378 14.054 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.287 15.951 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.846 14.509 2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.555 14.917 1.260 1.00 0.00 H new ATOM 1693 N LYS A 109 -0.056 14.662 -1.270 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.457 14.803 -2.684 1.00 0.00 C ATOM 1695 C LYS A 109 -1.556 13.969 -3.309 1.00 0.00 C ATOM 1696 O LYS A 109 -2.568 14.542 -3.712 1.00 0.00 O ATOM 1697 CB LYS A 109 0.779 14.789 -3.575 1.00 0.00 C ATOM 1698 CG LYS A 109 1.756 15.953 -3.428 1.00 0.00 C ATOM 1699 CD LYS A 109 3.189 15.547 -3.722 1.00 0.00 C ATOM 1700 CE LYS A 109 3.558 15.242 -5.130 1.00 0.00 C ATOM 1701 NZ LYS A 109 4.756 14.381 -5.125 1.00 0.00 N ATOM 0 H LYS A 109 0.951 14.562 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.978 15.759 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.323 13.864 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.447 14.755 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.463 16.757 -4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.694 16.350 -2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.840 16.348 -3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.416 14.667 -3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.734 14.741 -5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.756 16.163 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.027 14.158 -6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.538 14.878 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.548 13.499 -4.614 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.442 12.595 -3.177 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.540 11.600 -3.539 1.00 0.00 C ATOM 1716 C HIS A 110 -3.974 11.684 -2.834 1.00 0.00 C ATOM 1717 O HIS A 110 -5.024 11.529 -3.441 1.00 0.00 O ATOM 1718 CB HIS A 110 -1.843 10.217 -3.505 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.022 9.910 -4.752 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -1.655 9.913 -5.969 1.00 0.00 N ATOM 1721 CD2 HIS A 110 0.354 9.886 -4.926 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -0.547 10.109 -6.801 1.00 0.00 C ATOM 1723 NE2 HIS A 110 0.666 10.057 -6.262 1.00 0.00 N ATOM 0 H HIS A 110 -0.598 12.147 -2.821 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.925 11.865 -4.524 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.192 10.170 -2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.600 9.442 -3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 110 1.076 9.753 -4.134 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -0.675 10.298 -7.857 1.00 0.00 H new ATOM 0 HE2 HIS A 110 1.579 10.125 -6.711 1.00 0.00 H new ATOM 1731 N ALA A 111 -3.931 11.821 -1.517 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.093 12.195 -0.650 1.00 0.00 C ATOM 1733 C ALA A 111 -5.861 13.510 -1.029 1.00 0.00 C ATOM 1734 O ALA A 111 -7.041 13.335 -1.392 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.544 12.085 0.817 1.00 0.00 C ATOM 0 H ALA A 111 -3.073 11.676 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.930 11.513 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.334 12.344 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.210 11.065 1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.706 12.770 0.944 1.00 0.00 H new ATOM 1741 N THR A 112 -5.158 14.632 -1.080 1.00 0.00 N ATOM 1742 CA THR A 112 -5.635 15.930 -1.591 1.00 0.00 C ATOM 1743 C THR A 112 -6.121 15.781 -3.056 1.00 0.00 C ATOM 1744 O THR A 112 -7.314 16.002 -3.362 1.00 0.00 O ATOM 1745 CB THR A 112 -4.446 16.984 -1.365 1.00 0.00 C ATOM 1746 OG1 THR A 112 -3.897 16.939 -0.081 1.00 0.00 O ATOM 1747 CG2 THR A 112 -4.901 18.455 -1.530 1.00 0.00 C ATOM 0 H THR A 112 -4.193 14.675 -0.753 1.00 0.00 H new ATOM 0 HA THR A 112 -6.510 16.303 -1.058 1.00 0.00 H new ATOM 0 HB THR A 112 -3.721 16.689 -2.124 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.061 16.429 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 112 -4.052 19.119 -1.365 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.289 18.605 -2.538 1.00 0.00 H new ATOM 0 HG23 THR A 112 -5.683 18.678 -0.804 1.00 0.00 H new ATOM 1755 N ALA A 113 -5.268 15.320 -4.014 1.00 0.00 N ATOM 1756 CA ALA A 113 -5.664 15.023 -5.457 1.00 0.00 C ATOM 1757 C ALA A 113 -7.028 14.340 -5.720 1.00 0.00 C ATOM 1758 O ALA A 113 -7.743 14.942 -6.694 1.00 0.00 O ATOM 1759 CB ALA A 113 -4.524 14.189 -6.120 1.00 0.00 C ATOM 1760 OXT ALA A 113 -7.411 13.358 -5.076 1.00 0.00 O ATOM 0 H ALA A 113 -4.282 15.138 -3.826 1.00 0.00 H new ATOM 0 HA ALA A 113 -5.802 16.009 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.790 13.967 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.596 14.760 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.389 13.257 -5.572 1.00 0.00 H new TER 1767 ALA A 113