USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 662 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 SER OG : rot 84:sc= 1.15 USER MOD Set 1.2: A 40 MET CE :methyl 170:sc= -4.84! (180deg=-5.02!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 175:sc= -0.977 (180deg=-1) USER MOD Single : A 21 SER OG : rot 89:sc= 0.587 USER MOD Single : A 32 THR OG1 : rot 141:sc= 1.27 USER MOD Single : A 35 SER OG : rot -150:sc= 0.379 USER MOD Single : A 36 ASN : amide:sc= -1.24 K(o=-1.2,f=-3!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00846 USER MOD Single : A 47 SER OG : rot 83:sc= -2.09! USER MOD Single : A 48 MET CE :methyl 161:sc= 0 (180deg=-0.14) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -68:sc= 0.047 USER MOD Single : A 72 CYS SG : rot 5:sc= -0.229 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.225 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= 0.484 (180deg=-0.0225) USER MOD Single : A 82 MET CE :methyl -141:sc= -0.814 (180deg=-4.07!) USER MOD Single : A 85 SER OG : rot -58:sc= 0.328 USER MOD Single : A 90 PNS O33 : rot 43:sc= 1.1 USER MOD Single : A 90 PNS S44 : rot 180:sc= 0.00588 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.008 0.087 13.772 1.00 9.14 N ATOM 2 CA ALA A 1 -19.748 -1.125 14.181 1.00 8.68 C ATOM 3 C ALA A 1 -19.165 -2.364 13.515 1.00 7.71 C ATOM 4 O ALA A 1 -18.705 -3.281 14.192 1.00 7.65 O ATOM 5 CB ALA A 1 -21.223 -0.986 13.838 1.00 9.06 C ATOM 0 H1 ALA A 1 -19.422 0.920 14.237 1.00 9.14 H new ATOM 0 H2 ALA A 1 -18.010 -0.005 14.050 1.00 9.14 H new ATOM 0 H3 ALA A 1 -19.071 0.200 12.740 1.00 9.14 H new ATOM 0 HA ALA A 1 -19.649 -1.237 15.261 1.00 8.68 H new ATOM 0 HB1 ALA A 1 -21.754 -1.887 14.145 1.00 9.06 H new ATOM 0 HB2 ALA A 1 -21.638 -0.124 14.360 1.00 9.06 H new ATOM 0 HB3 ALA A 1 -21.335 -0.848 12.763 1.00 9.06 H new ATOM 13 N MET A 2 -19.169 -2.383 12.186 1.00 7.24 N ATOM 14 CA MET A 2 -18.686 -3.537 11.438 1.00 6.51 C ATOM 15 C MET A 2 -17.526 -3.128 10.531 1.00 5.64 C ATOM 16 O MET A 2 -17.625 -2.126 9.821 1.00 5.84 O ATOM 17 CB MET A 2 -19.818 -4.140 10.604 1.00 6.99 C ATOM 18 CG MET A 2 -19.377 -5.299 9.723 1.00 7.26 C ATOM 19 SD MET A 2 -18.676 -6.665 10.665 1.00 8.19 S ATOM 20 CE MET A 2 -18.218 -7.791 9.348 1.00 8.72 C ATOM 0 H MET A 2 -19.501 -1.613 11.606 1.00 7.24 H new ATOM 0 HA MET A 2 -18.333 -4.288 12.144 1.00 6.51 H new ATOM 0 HB2 MET A 2 -20.607 -4.483 11.273 1.00 6.99 H new ATOM 0 HB3 MET A 2 -20.249 -3.361 9.975 1.00 6.99 H new ATOM 0 HG2 MET A 2 -20.231 -5.659 9.150 1.00 7.26 H new ATOM 0 HG3 MET A 2 -18.639 -4.943 9.004 1.00 7.26 H new ATOM 0 HE1 MET A 2 -17.769 -8.687 9.775 1.00 8.72 H new ATOM 0 HE2 MET A 2 -19.106 -8.066 8.779 1.00 8.72 H new ATOM 0 HE3 MET A 2 -17.500 -7.305 8.687 1.00 8.72 H new ATOM 30 N ALA A 3 -16.439 -3.897 10.535 1.00 5.02 N ATOM 31 CA ALA A 3 -15.274 -3.558 9.746 1.00 4.45 C ATOM 32 C ALA A 3 -14.657 -4.798 9.126 1.00 3.68 C ATOM 33 O ALA A 3 -14.522 -5.837 9.771 1.00 4.10 O ATOM 34 CB ALA A 3 -14.244 -2.833 10.596 1.00 5.17 C ATOM 0 H ALA A 3 -16.348 -4.756 11.077 1.00 5.02 H new ATOM 0 HA ALA A 3 -15.597 -2.895 8.943 1.00 4.45 H new ATOM 0 HB1 ALA A 3 -13.376 -2.587 9.985 1.00 5.17 H new ATOM 0 HB2 ALA A 3 -14.680 -1.916 10.993 1.00 5.17 H new ATOM 0 HB3 ALA A 3 -13.936 -3.475 11.421 1.00 5.17 H new ATOM 40 N LYS A 4 -14.295 -4.674 7.869 1.00 3.03 N ATOM 41 CA LYS A 4 -13.612 -5.734 7.147 1.00 2.69 C ATOM 42 C LYS A 4 -12.680 -5.104 6.115 1.00 2.05 C ATOM 43 O LYS A 4 -12.798 -3.916 5.819 1.00 2.46 O ATOM 44 CB LYS A 4 -14.619 -6.668 6.458 1.00 3.47 C ATOM 45 CG LYS A 4 -13.990 -7.932 5.889 1.00 4.10 C ATOM 46 CD LYS A 4 -14.979 -8.725 5.051 1.00 5.04 C ATOM 47 CE LYS A 4 -14.337 -9.972 4.461 1.00 5.94 C ATOM 48 NZ LYS A 4 -15.253 -10.689 3.534 1.00 6.66 N ATOM 0 H LYS A 4 -14.464 -3.835 7.314 1.00 3.03 H new ATOM 0 HA LYS A 4 -13.034 -6.333 7.851 1.00 2.69 H new ATOM 0 HB2 LYS A 4 -15.391 -6.948 7.175 1.00 3.47 H new ATOM 0 HB3 LYS A 4 -15.113 -6.124 5.653 1.00 3.47 H new ATOM 0 HG2 LYS A 4 -13.127 -7.666 5.278 1.00 4.10 H new ATOM 0 HG3 LYS A 4 -13.623 -8.555 6.705 1.00 4.10 H new ATOM 0 HD2 LYS A 4 -15.832 -9.010 5.666 1.00 5.04 H new ATOM 0 HD3 LYS A 4 -15.362 -8.097 4.247 1.00 5.04 H new ATOM 0 HE2 LYS A 4 -13.428 -9.693 3.928 1.00 5.94 H new ATOM 0 HE3 LYS A 4 -14.041 -10.643 5.268 1.00 5.94 H new ATOM 0 HZ1 LYS A 4 -14.775 -11.531 3.156 1.00 6.66 H new ATOM 0 HZ2 LYS A 4 -16.110 -10.979 4.048 1.00 6.66 H new ATOM 0 HZ3 LYS A 4 -15.516 -10.059 2.750 1.00 6.66 H new ATOM 62 N GLY A 5 -11.747 -5.884 5.591 1.00 1.74 N ATOM 63 CA GLY A 5 -10.856 -5.383 4.567 1.00 1.46 C ATOM 64 C GLY A 5 -11.126 -6.037 3.235 1.00 1.22 C ATOM 65 O GLY A 5 -12.220 -6.554 3.009 1.00 1.37 O ATOM 0 H GLY A 5 -11.591 -6.856 5.857 1.00 1.74 H new ATOM 0 HA2 GLY A 5 -10.975 -4.303 4.475 1.00 1.46 H new ATOM 0 HA3 GLY A 5 -9.822 -5.565 4.861 1.00 1.46 H new ATOM 69 N VAL A 6 -10.138 -6.020 2.359 1.00 1.00 N ATOM 70 CA VAL A 6 -10.268 -6.650 1.056 1.00 0.85 C ATOM 71 C VAL A 6 -9.963 -8.141 1.170 1.00 0.64 C ATOM 72 O VAL A 6 -10.838 -8.984 0.983 1.00 0.79 O ATOM 73 CB VAL A 6 -9.316 -6.003 0.031 1.00 0.87 C ATOM 74 CG1 VAL A 6 -9.481 -6.629 -1.347 1.00 0.90 C ATOM 75 CG2 VAL A 6 -9.539 -4.497 -0.035 1.00 1.14 C ATOM 0 H VAL A 6 -9.235 -5.576 2.526 1.00 1.00 H new ATOM 0 HA VAL A 6 -11.292 -6.510 0.710 1.00 0.85 H new ATOM 0 HB VAL A 6 -8.294 -6.187 0.363 1.00 0.87 H new ATOM 0 HG11 VAL A 6 -8.796 -6.152 -2.048 1.00 0.90 H new ATOM 0 HG12 VAL A 6 -9.259 -7.695 -1.291 1.00 0.90 H new ATOM 0 HG13 VAL A 6 -10.506 -6.490 -1.690 1.00 0.90 H new ATOM 0 HG21 VAL A 6 -8.857 -4.060 -0.764 1.00 1.14 H new ATOM 0 HG22 VAL A 6 -10.568 -4.294 -0.333 1.00 1.14 H new ATOM 0 HG23 VAL A 6 -9.352 -4.058 0.945 1.00 1.14 H new ATOM 85 N GLY A 7 -8.715 -8.450 1.489 1.00 0.47 N ATOM 86 CA GLY A 7 -8.297 -9.829 1.602 1.00 0.42 C ATOM 87 C GLY A 7 -7.503 -10.259 0.392 1.00 0.41 C ATOM 88 O GLY A 7 -8.073 -10.698 -0.610 1.00 0.53 O ATOM 0 H GLY A 7 -7.982 -7.765 1.672 1.00 0.47 H new ATOM 0 HA2 GLY A 7 -7.693 -9.956 2.501 1.00 0.42 H new ATOM 0 HA3 GLY A 7 -9.172 -10.469 1.712 1.00 0.42 H new ATOM 92 N VAL A 8 -6.190 -10.128 0.473 1.00 0.33 N ATOM 93 CA VAL A 8 -5.337 -10.413 -0.669 1.00 0.32 C ATOM 94 C VAL A 8 -4.454 -11.619 -0.382 1.00 0.35 C ATOM 95 O VAL A 8 -4.200 -11.955 0.776 1.00 0.39 O ATOM 96 CB VAL A 8 -4.447 -9.197 -1.061 1.00 0.32 C ATOM 97 CG1 VAL A 8 -5.240 -7.903 -1.029 1.00 0.36 C ATOM 98 CG2 VAL A 8 -3.208 -9.095 -0.179 1.00 0.33 C ATOM 0 H VAL A 8 -5.693 -9.828 1.312 1.00 0.33 H new ATOM 0 HA VAL A 8 -5.995 -10.628 -1.511 1.00 0.32 H new ATOM 0 HB VAL A 8 -4.109 -9.363 -2.084 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -4.592 -7.072 -1.307 1.00 0.36 H new ATOM 0 HG12 VAL A 8 -6.070 -7.967 -1.733 1.00 0.36 H new ATOM 0 HG13 VAL A 8 -5.629 -7.739 -0.024 1.00 0.36 H new ATOM 0 HG21 VAL A 8 -2.614 -8.234 -0.485 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -3.511 -8.976 0.861 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -2.612 -10.002 -0.282 1.00 0.33 H new ATOM 108 N SER A 9 -4.007 -12.275 -1.435 1.00 0.37 N ATOM 109 CA SER A 9 -3.097 -13.391 -1.300 1.00 0.42 C ATOM 110 C SER A 9 -1.658 -12.907 -1.473 1.00 0.34 C ATOM 111 O SER A 9 -1.415 -11.711 -1.649 1.00 0.31 O ATOM 112 CB SER A 9 -3.435 -14.471 -2.335 1.00 0.52 C ATOM 113 OG SER A 9 -2.611 -15.615 -2.178 1.00 1.56 O ATOM 0 H SER A 9 -4.262 -12.052 -2.397 1.00 0.37 H new ATOM 0 HA SER A 9 -3.201 -13.824 -0.305 1.00 0.42 H new ATOM 0 HB2 SER A 9 -4.482 -14.758 -2.235 1.00 0.52 H new ATOM 0 HB3 SER A 9 -3.310 -14.066 -3.339 1.00 0.52 H new ATOM 0 HG SER A 9 -2.851 -16.286 -2.851 1.00 1.56 H new ATOM 119 N ASN A 10 -0.715 -13.838 -1.445 1.00 0.38 N ATOM 120 CA ASN A 10 0.698 -13.512 -1.621 1.00 0.41 C ATOM 121 C ASN A 10 0.927 -12.918 -3.008 1.00 0.36 C ATOM 122 O ASN A 10 1.845 -12.135 -3.216 1.00 0.38 O ATOM 123 CB ASN A 10 1.559 -14.762 -1.408 1.00 0.52 C ATOM 124 CG ASN A 10 3.040 -14.518 -1.651 1.00 1.20 C ATOM 125 OD1 ASN A 10 3.535 -14.712 -2.757 1.00 2.02 O ATOM 126 ND2 ASN A 10 3.759 -14.102 -0.618 1.00 1.73 N ATOM 0 H ASN A 10 -0.902 -14.830 -1.302 1.00 0.38 H new ATOM 0 HA ASN A 10 0.990 -12.769 -0.879 1.00 0.41 H new ATOM 0 HB2 ASN A 10 1.419 -15.122 -0.389 1.00 0.52 H new ATOM 0 HB3 ASN A 10 1.213 -15.551 -2.075 1.00 0.52 H new ATOM 0 HD21 ASN A 10 4.759 -13.932 -0.728 1.00 1.73 H new ATOM 0 HD22 ASN A 10 3.312 -13.952 0.287 1.00 1.73 H new ATOM 133 N GLU A 11 0.057 -13.279 -3.939 1.00 0.37 N ATOM 134 CA GLU A 11 0.070 -12.716 -5.285 1.00 0.41 C ATOM 135 C GLU A 11 -0.044 -11.196 -5.241 1.00 0.36 C ATOM 136 O GLU A 11 0.806 -10.480 -5.772 1.00 0.35 O ATOM 137 CB GLU A 11 -1.101 -13.307 -6.080 1.00 0.54 C ATOM 138 CG GLU A 11 -1.435 -12.574 -7.375 1.00 0.92 C ATOM 139 CD GLU A 11 -0.507 -12.941 -8.504 1.00 1.39 C ATOM 140 OE1 GLU A 11 -0.696 -14.006 -9.123 1.00 1.91 O ATOM 141 OE2 GLU A 11 0.426 -12.158 -8.773 1.00 1.75 O ATOM 0 H GLU A 11 -0.678 -13.969 -3.785 1.00 0.37 H new ATOM 0 HA GLU A 11 1.014 -12.967 -5.768 1.00 0.41 H new ATOM 0 HB2 GLU A 11 -0.872 -14.346 -6.317 1.00 0.54 H new ATOM 0 HB3 GLU A 11 -1.986 -13.312 -5.444 1.00 0.54 H new ATOM 0 HG2 GLU A 11 -2.461 -12.803 -7.664 1.00 0.92 H new ATOM 0 HG3 GLU A 11 -1.385 -11.499 -7.203 1.00 0.92 H new ATOM 148 N LYS A 12 -1.085 -10.704 -4.586 1.00 0.35 N ATOM 149 CA LYS A 12 -1.309 -9.276 -4.511 1.00 0.33 C ATOM 150 C LYS A 12 -0.343 -8.638 -3.529 1.00 0.27 C ATOM 151 O LYS A 12 -0.086 -7.439 -3.592 1.00 0.29 O ATOM 152 CB LYS A 12 -2.770 -8.976 -4.186 1.00 0.43 C ATOM 153 CG LYS A 12 -3.683 -9.383 -5.341 1.00 0.89 C ATOM 154 CD LYS A 12 -5.109 -8.894 -5.172 1.00 1.03 C ATOM 155 CE LYS A 12 -5.914 -9.190 -6.428 1.00 0.87 C ATOM 156 NZ LYS A 12 -7.240 -8.516 -6.436 1.00 1.58 N ATOM 0 H LYS A 12 -1.781 -11.272 -4.103 1.00 0.35 H new ATOM 0 HA LYS A 12 -1.109 -8.830 -5.485 1.00 0.33 H new ATOM 0 HB2 LYS A 12 -3.062 -9.510 -3.282 1.00 0.43 H new ATOM 0 HB3 LYS A 12 -2.890 -7.912 -3.981 1.00 0.43 H new ATOM 0 HG2 LYS A 12 -3.278 -8.989 -6.273 1.00 0.89 H new ATOM 0 HG3 LYS A 12 -3.686 -10.469 -5.429 1.00 0.89 H new ATOM 0 HD2 LYS A 12 -5.569 -9.381 -4.312 1.00 1.03 H new ATOM 0 HD3 LYS A 12 -5.113 -7.823 -4.972 1.00 1.03 H new ATOM 0 HE2 LYS A 12 -5.345 -8.872 -7.302 1.00 0.87 H new ATOM 0 HE3 LYS A 12 -6.059 -10.267 -6.516 1.00 0.87 H new ATOM 0 HZ1 LYS A 12 -7.744 -8.753 -7.314 1.00 1.58 H new ATOM 0 HZ2 LYS A 12 -7.798 -8.837 -5.619 1.00 1.58 H new ATOM 0 HZ3 LYS A 12 -7.106 -7.486 -6.381 1.00 1.58 H new ATOM 170 N LEU A 13 0.214 -9.457 -2.644 1.00 0.25 N ATOM 171 CA LEU A 13 1.274 -9.006 -1.757 1.00 0.24 C ATOM 172 C LEU A 13 2.595 -8.846 -2.543 1.00 0.24 C ATOM 173 O LEU A 13 3.401 -7.970 -2.227 1.00 0.29 O ATOM 174 CB LEU A 13 1.440 -9.986 -0.575 1.00 0.29 C ATOM 175 CG LEU A 13 1.777 -9.338 0.800 1.00 0.38 C ATOM 176 CD1 LEU A 13 2.909 -8.332 0.690 1.00 0.82 C ATOM 177 CD2 LEU A 13 0.539 -8.675 1.393 1.00 0.99 C ATOM 0 H LEU A 13 -0.052 -10.434 -2.524 1.00 0.25 H new ATOM 0 HA LEU A 13 1.004 -8.032 -1.348 1.00 0.24 H new ATOM 0 HB2 LEU A 13 0.518 -10.558 -0.470 1.00 0.29 H new ATOM 0 HB3 LEU A 13 2.229 -10.696 -0.824 1.00 0.29 H new ATOM 0 HG LEU A 13 2.109 -10.136 1.464 1.00 0.38 H new ATOM 0 HD11 LEU A 13 3.112 -7.904 1.672 1.00 0.82 H new ATOM 0 HD12 LEU A 13 3.805 -8.831 0.320 1.00 0.82 H new ATOM 0 HD13 LEU A 13 2.624 -7.538 -0.000 1.00 0.82 H new ATOM 0 HD21 LEU A 13 0.791 -8.227 2.354 1.00 0.99 H new ATOM 0 HD22 LEU A 13 0.181 -7.901 0.714 1.00 0.99 H new ATOM 0 HD23 LEU A 13 -0.241 -9.423 1.535 1.00 0.99 H new ATOM 189 N ASP A 14 2.820 -9.652 -3.588 1.00 0.25 N ATOM 190 CA ASP A 14 4.048 -9.515 -4.370 1.00 0.29 C ATOM 191 C ASP A 14 3.913 -8.351 -5.326 1.00 0.27 C ATOM 192 O ASP A 14 4.886 -7.673 -5.659 1.00 0.34 O ATOM 193 CB ASP A 14 4.358 -10.791 -5.159 1.00 0.36 C ATOM 194 CG ASP A 14 5.849 -10.989 -5.359 1.00 0.61 C ATOM 195 OD1 ASP A 14 6.546 -11.289 -4.366 1.00 0.83 O ATOM 196 OD2 ASP A 14 6.330 -10.846 -6.502 1.00 0.88 O ATOM 0 H ASP A 14 2.185 -10.386 -3.903 1.00 0.25 H new ATOM 0 HA ASP A 14 4.870 -9.337 -3.677 1.00 0.29 H new ATOM 0 HB2 ASP A 14 3.946 -11.652 -4.632 1.00 0.36 H new ATOM 0 HB3 ASP A 14 3.865 -10.745 -6.130 1.00 0.36 H new ATOM 201 N ALA A 15 2.683 -8.102 -5.728 1.00 0.21 N ATOM 202 CA ALA A 15 2.399 -7.084 -6.716 1.00 0.23 C ATOM 203 C ALA A 15 2.403 -5.693 -6.086 1.00 0.22 C ATOM 204 O ALA A 15 2.663 -4.695 -6.758 1.00 0.30 O ATOM 205 CB ALA A 15 1.068 -7.368 -7.393 1.00 0.25 C ATOM 0 H ALA A 15 1.860 -8.595 -5.382 1.00 0.21 H new ATOM 0 HA ALA A 15 3.185 -7.108 -7.471 1.00 0.23 H new ATOM 0 HB1 ALA A 15 0.865 -6.595 -8.135 1.00 0.25 H new ATOM 0 HB2 ALA A 15 1.110 -8.340 -7.884 1.00 0.25 H new ATOM 0 HB3 ALA A 15 0.274 -7.372 -6.647 1.00 0.25 H new ATOM 211 N VAL A 16 2.127 -5.628 -4.788 1.00 0.17 N ATOM 212 CA VAL A 16 2.115 -4.357 -4.081 1.00 0.17 C ATOM 213 C VAL A 16 3.527 -3.881 -3.775 1.00 0.17 C ATOM 214 O VAL A 16 3.852 -2.708 -3.972 1.00 0.18 O ATOM 215 CB VAL A 16 1.290 -4.418 -2.772 1.00 0.20 C ATOM 216 CG1 VAL A 16 1.728 -5.573 -1.883 1.00 0.22 C ATOM 217 CG2 VAL A 16 1.399 -3.102 -2.019 1.00 0.23 C ATOM 0 H VAL A 16 1.910 -6.438 -4.208 1.00 0.17 H new ATOM 0 HA VAL A 16 1.634 -3.642 -4.748 1.00 0.17 H new ATOM 0 HB VAL A 16 0.249 -4.589 -3.045 1.00 0.20 H new ATOM 0 HG11 VAL A 16 1.126 -5.582 -0.975 1.00 0.22 H new ATOM 0 HG12 VAL A 16 1.594 -6.514 -2.417 1.00 0.22 H new ATOM 0 HG13 VAL A 16 2.779 -5.452 -1.620 1.00 0.22 H new ATOM 0 HG21 VAL A 16 0.814 -3.159 -1.101 1.00 0.23 H new ATOM 0 HG22 VAL A 16 2.443 -2.909 -1.773 1.00 0.23 H new ATOM 0 HG23 VAL A 16 1.018 -2.293 -2.643 1.00 0.23 H new ATOM 227 N MET A 17 4.373 -4.790 -3.320 1.00 0.19 N ATOM 228 CA MET A 17 5.713 -4.420 -2.899 1.00 0.23 C ATOM 229 C MET A 17 6.522 -3.866 -4.071 1.00 0.24 C ATOM 230 O MET A 17 7.400 -3.027 -3.878 1.00 0.31 O ATOM 231 CB MET A 17 6.439 -5.618 -2.274 1.00 0.25 C ATOM 232 CG MET A 17 5.712 -6.220 -1.084 1.00 0.29 C ATOM 233 SD MET A 17 6.665 -7.510 -0.258 1.00 0.36 S ATOM 234 CE MET A 17 6.784 -8.735 -1.561 1.00 1.63 C ATOM 0 H MET A 17 4.157 -5.783 -3.233 1.00 0.19 H new ATOM 0 HA MET A 17 5.620 -3.638 -2.145 1.00 0.23 H new ATOM 0 HB2 MET A 17 6.572 -6.388 -3.034 1.00 0.25 H new ATOM 0 HB3 MET A 17 7.435 -5.305 -1.960 1.00 0.25 H new ATOM 0 HG2 MET A 17 5.482 -5.431 -0.368 1.00 0.29 H new ATOM 0 HG3 MET A 17 4.761 -6.635 -1.418 1.00 0.29 H new ATOM 0 HE1 MET A 17 7.422 -9.555 -1.232 1.00 1.63 H new ATOM 0 HE2 MET A 17 5.790 -9.118 -1.792 1.00 1.63 H new ATOM 0 HE3 MET A 17 7.213 -8.277 -2.453 1.00 1.63 H new ATOM 244 N ARG A 18 6.212 -4.316 -5.283 1.00 0.21 N ATOM 245 CA ARG A 18 6.916 -3.832 -6.462 1.00 0.26 C ATOM 246 C ARG A 18 6.464 -2.413 -6.815 1.00 0.23 C ATOM 247 O ARG A 18 7.264 -1.594 -7.268 1.00 0.32 O ATOM 248 CB ARG A 18 6.720 -4.769 -7.657 1.00 0.35 C ATOM 249 CG ARG A 18 5.304 -4.809 -8.177 1.00 0.50 C ATOM 250 CD ARG A 18 5.205 -5.684 -9.412 1.00 0.65 C ATOM 251 NE ARG A 18 3.851 -5.758 -9.952 1.00 1.62 N ATOM 252 CZ ARG A 18 3.345 -6.847 -10.532 1.00 2.12 C ATOM 253 NH1 ARG A 18 4.060 -7.969 -10.590 1.00 2.05 N ATOM 254 NH2 ARG A 18 2.128 -6.814 -11.058 1.00 3.17 N ATOM 0 H ARG A 18 5.486 -5.007 -5.472 1.00 0.21 H new ATOM 0 HA ARG A 18 7.980 -3.812 -6.226 1.00 0.26 H new ATOM 0 HB2 ARG A 18 7.384 -4.457 -8.463 1.00 0.35 H new ATOM 0 HB3 ARG A 18 7.019 -5.777 -7.369 1.00 0.35 H new ATOM 0 HG2 ARG A 18 4.639 -5.190 -7.402 1.00 0.50 H new ATOM 0 HG3 ARG A 18 4.971 -3.799 -8.415 1.00 0.50 H new ATOM 0 HD2 ARG A 18 5.875 -5.297 -10.179 1.00 0.65 H new ATOM 0 HD3 ARG A 18 5.548 -6.689 -9.167 1.00 0.65 H new ATOM 0 HE ARG A 18 3.259 -4.931 -9.882 1.00 1.62 H new ATOM 0 HH11 ARG A 18 4.998 -7.997 -10.190 1.00 2.05 H new ATOM 0 HH12 ARG A 18 3.670 -8.800 -11.034 1.00 2.05 H new ATOM 0 HH21 ARG A 18 1.579 -5.955 -11.019 1.00 3.17 H new ATOM 0 HH22 ARG A 18 1.741 -7.647 -11.502 1.00 3.17 H new ATOM 268 N VAL A 19 5.188 -2.107 -6.567 1.00 0.18 N ATOM 269 CA VAL A 19 4.658 -0.786 -6.867 1.00 0.19 C ATOM 270 C VAL A 19 5.136 0.193 -5.812 1.00 0.19 C ATOM 271 O VAL A 19 5.496 1.332 -6.105 1.00 0.21 O ATOM 272 CB VAL A 19 3.109 -0.800 -6.927 1.00 0.18 C ATOM 273 CG1 VAL A 19 2.551 0.611 -7.002 1.00 0.23 C ATOM 274 CG2 VAL A 19 2.640 -1.620 -8.119 1.00 0.19 C ATOM 0 H VAL A 19 4.512 -2.754 -6.162 1.00 0.18 H new ATOM 0 HA VAL A 19 5.021 -0.478 -7.847 1.00 0.19 H new ATOM 0 HB VAL A 19 2.736 -1.259 -6.012 1.00 0.18 H new ATOM 0 HG11 VAL A 19 1.463 0.570 -7.043 1.00 0.23 H new ATOM 0 HG12 VAL A 19 2.860 1.172 -6.120 1.00 0.23 H new ATOM 0 HG13 VAL A 19 2.929 1.105 -7.897 1.00 0.23 H new ATOM 0 HG21 VAL A 19 1.551 -1.624 -8.152 1.00 0.19 H new ATOM 0 HG22 VAL A 19 3.030 -1.182 -9.038 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.003 -2.643 -8.022 1.00 0.19 H new ATOM 284 N VAL A 20 5.173 -0.295 -4.585 1.00 0.21 N ATOM 285 CA VAL A 20 5.653 0.485 -3.460 1.00 0.23 C ATOM 286 C VAL A 20 7.118 0.875 -3.650 1.00 0.27 C ATOM 287 O VAL A 20 7.491 2.021 -3.418 1.00 0.33 O ATOM 288 CB VAL A 20 5.477 -0.294 -2.128 1.00 0.23 C ATOM 289 CG1 VAL A 20 6.430 0.228 -1.059 1.00 0.24 C ATOM 290 CG2 VAL A 20 4.040 -0.184 -1.641 1.00 0.22 C ATOM 0 H VAL A 20 4.872 -1.239 -4.342 1.00 0.21 H new ATOM 0 HA VAL A 20 5.055 1.395 -3.411 1.00 0.23 H new ATOM 0 HB VAL A 20 5.713 -1.342 -2.315 1.00 0.23 H new ATOM 0 HG11 VAL A 20 6.286 -0.335 -0.137 1.00 0.24 H new ATOM 0 HG12 VAL A 20 7.459 0.109 -1.399 1.00 0.24 H new ATOM 0 HG13 VAL A 20 6.228 1.283 -0.875 1.00 0.24 H new ATOM 0 HG21 VAL A 20 3.929 -0.734 -0.707 1.00 0.22 H new ATOM 0 HG22 VAL A 20 3.791 0.864 -1.477 1.00 0.22 H new ATOM 0 HG23 VAL A 20 3.369 -0.603 -2.391 1.00 0.22 H new ATOM 300 N SER A 21 7.934 -0.054 -4.129 1.00 0.27 N ATOM 301 CA SER A 21 9.375 0.166 -4.175 1.00 0.35 C ATOM 302 C SER A 21 9.717 1.185 -5.246 1.00 0.32 C ATOM 303 O SER A 21 10.546 2.072 -5.043 1.00 0.47 O ATOM 304 CB SER A 21 10.099 -1.139 -4.431 1.00 0.46 C ATOM 305 OG SER A 21 9.993 -2.010 -3.319 1.00 1.38 O ATOM 0 H SER A 21 7.628 -0.958 -4.488 1.00 0.27 H new ATOM 0 HA SER A 21 9.700 0.556 -3.211 1.00 0.35 H new ATOM 0 HB2 SER A 21 9.683 -1.622 -5.315 1.00 0.46 H new ATOM 0 HB3 SER A 21 11.150 -0.940 -4.641 1.00 0.46 H new ATOM 0 HG SER A 21 9.186 -2.559 -3.409 1.00 1.38 H new ATOM 311 N GLU A 22 9.044 1.056 -6.373 1.00 0.31 N ATOM 312 CA GLU A 22 9.174 1.977 -7.476 1.00 0.33 C ATOM 313 C GLU A 22 8.858 3.413 -7.053 1.00 0.32 C ATOM 314 O GLU A 22 9.610 4.341 -7.362 1.00 0.43 O ATOM 315 CB GLU A 22 8.241 1.523 -8.596 1.00 0.43 C ATOM 316 CG GLU A 22 7.885 2.625 -9.547 1.00 0.80 C ATOM 317 CD GLU A 22 7.680 2.141 -10.963 1.00 1.42 C ATOM 318 OE1 GLU A 22 8.665 2.113 -11.730 1.00 1.59 O ATOM 319 OE2 GLU A 22 6.538 1.786 -11.319 1.00 2.26 O ATOM 0 H GLU A 22 8.384 0.298 -6.547 1.00 0.31 H new ATOM 0 HA GLU A 22 10.206 1.974 -7.826 1.00 0.33 H new ATOM 0 HB2 GLU A 22 8.715 0.712 -9.150 1.00 0.43 H new ATOM 0 HB3 GLU A 22 7.328 1.119 -8.159 1.00 0.43 H new ATOM 0 HG2 GLU A 22 6.975 3.115 -9.201 1.00 0.80 H new ATOM 0 HG3 GLU A 22 8.675 3.376 -9.537 1.00 0.80 H new ATOM 326 N GLU A 23 7.760 3.588 -6.330 1.00 0.28 N ATOM 327 CA GLU A 23 7.329 4.918 -5.917 1.00 0.30 C ATOM 328 C GLU A 23 8.139 5.424 -4.722 1.00 0.32 C ATOM 329 O GLU A 23 8.365 6.626 -4.584 1.00 0.49 O ATOM 330 CB GLU A 23 5.832 4.914 -5.583 1.00 0.37 C ATOM 331 CG GLU A 23 4.934 4.734 -6.797 1.00 0.41 C ATOM 332 CD GLU A 23 5.153 5.794 -7.856 1.00 0.57 C ATOM 333 OE1 GLU A 23 5.061 6.997 -7.526 1.00 0.77 O ATOM 334 OE2 GLU A 23 5.438 5.430 -9.014 1.00 0.74 O ATOM 0 H GLU A 23 7.153 2.830 -6.018 1.00 0.28 H new ATOM 0 HA GLU A 23 7.505 5.598 -6.750 1.00 0.30 H new ATOM 0 HB2 GLU A 23 5.630 4.114 -4.871 1.00 0.37 H new ATOM 0 HB3 GLU A 23 5.577 5.852 -5.089 1.00 0.37 H new ATOM 0 HG2 GLU A 23 5.113 3.751 -7.232 1.00 0.41 H new ATOM 0 HG3 GLU A 23 3.892 4.756 -6.478 1.00 0.41 H new ATOM 341 N SER A 24 8.575 4.506 -3.867 1.00 0.28 N ATOM 342 CA SER A 24 9.346 4.869 -2.683 1.00 0.32 C ATOM 343 C SER A 24 10.799 5.175 -3.043 1.00 0.35 C ATOM 344 O SER A 24 11.420 6.064 -2.460 1.00 0.48 O ATOM 345 CB SER A 24 9.278 3.741 -1.653 1.00 0.37 C ATOM 346 OG SER A 24 7.938 3.496 -1.261 1.00 1.23 O ATOM 0 H SER A 24 8.408 3.505 -3.971 1.00 0.28 H new ATOM 0 HA SER A 24 8.912 5.772 -2.254 1.00 0.32 H new ATOM 0 HB2 SER A 24 9.710 2.833 -2.073 1.00 0.37 H new ATOM 0 HB3 SER A 24 9.875 4.004 -0.780 1.00 0.37 H new ATOM 0 HG SER A 24 7.514 2.893 -1.906 1.00 1.23 H new ATOM 352 N GLY A 25 11.332 4.441 -4.010 1.00 0.31 N ATOM 353 CA GLY A 25 12.702 4.662 -4.443 1.00 0.38 C ATOM 354 C GLY A 25 13.642 3.567 -3.976 1.00 0.42 C ATOM 355 O GLY A 25 14.839 3.610 -4.255 1.00 0.54 O ATOM 0 H GLY A 25 10.842 3.695 -4.504 1.00 0.31 H new ATOM 0 HA2 GLY A 25 12.731 4.722 -5.531 1.00 0.38 H new ATOM 0 HA3 GLY A 25 13.050 5.622 -4.062 1.00 0.38 H new ATOM 359 N ILE A 26 13.104 2.580 -3.272 1.00 0.44 N ATOM 360 CA ILE A 26 13.921 1.499 -2.740 1.00 0.51 C ATOM 361 C ILE A 26 13.961 0.333 -3.710 1.00 0.55 C ATOM 362 O ILE A 26 13.116 0.211 -4.600 1.00 0.80 O ATOM 363 CB ILE A 26 13.395 0.965 -1.385 1.00 0.54 C ATOM 364 CG1 ILE A 26 12.872 2.094 -0.498 1.00 0.53 C ATOM 365 CG2 ILE A 26 14.490 0.205 -0.645 1.00 0.65 C ATOM 366 CD1 ILE A 26 12.117 1.581 0.711 1.00 0.60 C ATOM 0 H ILE A 26 12.110 2.506 -3.057 1.00 0.44 H new ATOM 0 HA ILE A 26 14.915 1.921 -2.593 1.00 0.51 H new ATOM 0 HB ILE A 26 12.569 0.289 -1.605 1.00 0.54 H new ATOM 0 HG12 ILE A 26 13.709 2.708 -0.166 1.00 0.53 H new ATOM 0 HG13 ILE A 26 12.217 2.739 -1.084 1.00 0.53 H new ATOM 0 HG21 ILE A 26 14.100 -0.162 0.304 1.00 0.65 H new ATOM 0 HG22 ILE A 26 14.821 -0.638 -1.251 1.00 0.65 H new ATOM 0 HG23 ILE A 26 15.333 0.871 -0.458 1.00 0.65 H new ATOM 0 HD11 ILE A 26 11.768 2.424 1.307 1.00 0.60 H new ATOM 0 HD12 ILE A 26 11.262 0.990 0.382 1.00 0.60 H new ATOM 0 HD13 ILE A 26 12.777 0.959 1.315 1.00 0.60 H new ATOM 378 N ALA A 27 14.952 -0.515 -3.525 1.00 0.45 N ATOM 379 CA ALA A 27 15.037 -1.768 -4.234 1.00 0.49 C ATOM 380 C ALA A 27 14.263 -2.829 -3.471 1.00 0.45 C ATOM 381 O ALA A 27 14.272 -2.838 -2.238 1.00 0.43 O ATOM 382 CB ALA A 27 16.491 -2.166 -4.394 1.00 0.57 C ATOM 0 H ALA A 27 15.722 -0.351 -2.876 1.00 0.45 H new ATOM 0 HA ALA A 27 14.600 -1.665 -5.227 1.00 0.49 H new ATOM 0 HB1 ALA A 27 16.552 -3.113 -4.930 1.00 0.57 H new ATOM 0 HB2 ALA A 27 17.019 -1.396 -4.956 1.00 0.57 H new ATOM 0 HB3 ALA A 27 16.949 -2.275 -3.411 1.00 0.57 H new ATOM 388 N LEU A 28 13.602 -3.717 -4.200 1.00 0.48 N ATOM 389 CA LEU A 28 12.725 -4.721 -3.600 1.00 0.49 C ATOM 390 C LEU A 28 13.468 -5.571 -2.565 1.00 0.51 C ATOM 391 O LEU A 28 12.876 -6.033 -1.592 1.00 0.52 O ATOM 392 CB LEU A 28 12.152 -5.614 -4.703 1.00 0.57 C ATOM 393 CG LEU A 28 11.225 -6.743 -4.248 1.00 0.62 C ATOM 394 CD1 LEU A 28 9.934 -6.194 -3.651 1.00 0.95 C ATOM 395 CD2 LEU A 28 10.928 -7.662 -5.419 1.00 0.97 C ATOM 0 H LEU A 28 13.655 -3.765 -5.217 1.00 0.48 H new ATOM 0 HA LEU A 28 11.916 -4.207 -3.082 1.00 0.49 H new ATOM 0 HB2 LEU A 28 11.605 -4.984 -5.404 1.00 0.57 H new ATOM 0 HB3 LEU A 28 12.984 -6.055 -5.253 1.00 0.57 H new ATOM 0 HG LEU A 28 11.729 -7.311 -3.466 1.00 0.62 H new ATOM 0 HD11 LEU A 28 9.297 -7.021 -3.338 1.00 0.95 H new ATOM 0 HD12 LEU A 28 10.168 -5.570 -2.789 1.00 0.95 H new ATOM 0 HD13 LEU A 28 9.412 -5.598 -4.399 1.00 0.95 H new ATOM 0 HD21 LEU A 28 10.268 -8.465 -5.093 1.00 0.97 H new ATOM 0 HD22 LEU A 28 10.444 -7.094 -6.213 1.00 0.97 H new ATOM 0 HD23 LEU A 28 11.859 -8.087 -5.793 1.00 0.97 H new ATOM 407 N GLU A 29 14.775 -5.736 -2.764 1.00 0.56 N ATOM 408 CA GLU A 29 15.582 -6.583 -1.887 1.00 0.62 C ATOM 409 C GLU A 29 15.741 -5.975 -0.494 1.00 0.59 C ATOM 410 O GLU A 29 16.151 -6.654 0.445 1.00 0.65 O ATOM 411 CB GLU A 29 16.958 -6.814 -2.499 1.00 0.72 C ATOM 412 CG GLU A 29 16.901 -7.297 -3.936 1.00 0.77 C ATOM 413 CD GLU A 29 16.355 -8.696 -4.058 1.00 1.39 C ATOM 414 OE1 GLU A 29 17.109 -9.655 -3.817 1.00 1.47 O ATOM 415 OE2 GLU A 29 15.171 -8.843 -4.417 1.00 2.23 O ATOM 0 H GLU A 29 15.296 -5.296 -3.522 1.00 0.56 H new ATOM 0 HA GLU A 29 15.058 -7.533 -1.783 1.00 0.62 H new ATOM 0 HB2 GLU A 29 17.527 -5.885 -2.457 1.00 0.72 H new ATOM 0 HB3 GLU A 29 17.497 -7.546 -1.898 1.00 0.72 H new ATOM 0 HG2 GLU A 29 16.280 -6.617 -4.519 1.00 0.77 H new ATOM 0 HG3 GLU A 29 17.902 -7.263 -4.366 1.00 0.77 H new ATOM 422 N GLU A 30 15.427 -4.691 -0.364 1.00 0.52 N ATOM 423 CA GLU A 30 15.596 -3.999 0.908 1.00 0.51 C ATOM 424 C GLU A 30 14.252 -3.577 1.493 1.00 0.43 C ATOM 425 O GLU A 30 14.201 -2.920 2.535 1.00 0.44 O ATOM 426 CB GLU A 30 16.489 -2.767 0.737 1.00 0.56 C ATOM 427 CG GLU A 30 17.822 -3.044 0.056 1.00 0.67 C ATOM 428 CD GLU A 30 18.828 -1.936 0.273 1.00 1.34 C ATOM 429 OE1 GLU A 30 18.495 -0.763 -0.007 1.00 2.24 O ATOM 430 OE2 GLU A 30 19.950 -2.223 0.733 1.00 1.48 O ATOM 0 H GLU A 30 15.057 -4.112 -1.118 1.00 0.52 H new ATOM 0 HA GLU A 30 16.071 -4.696 1.598 1.00 0.51 H new ATOM 0 HB2 GLU A 30 15.948 -2.019 0.158 1.00 0.56 H new ATOM 0 HB3 GLU A 30 16.680 -2.333 1.719 1.00 0.56 H new ATOM 0 HG2 GLU A 30 18.231 -3.981 0.435 1.00 0.67 H new ATOM 0 HG3 GLU A 30 17.659 -3.177 -1.013 1.00 0.67 H new ATOM 437 N LEU A 31 13.167 -3.952 0.831 1.00 0.39 N ATOM 438 CA LEU A 31 11.846 -3.598 1.314 1.00 0.33 C ATOM 439 C LEU A 31 11.434 -4.521 2.452 1.00 0.34 C ATOM 440 O LEU A 31 10.995 -5.653 2.233 1.00 0.41 O ATOM 441 CB LEU A 31 10.809 -3.657 0.190 1.00 0.36 C ATOM 442 CG LEU A 31 9.422 -3.148 0.584 1.00 0.51 C ATOM 443 CD1 LEU A 31 9.477 -1.666 0.912 1.00 1.01 C ATOM 444 CD2 LEU A 31 8.420 -3.415 -0.521 1.00 1.10 C ATOM 0 H LEU A 31 13.177 -4.495 -0.032 1.00 0.39 H new ATOM 0 HA LEU A 31 11.889 -2.573 1.683 1.00 0.33 H new ATOM 0 HB2 LEU A 31 11.172 -3.070 -0.654 1.00 0.36 H new ATOM 0 HB3 LEU A 31 10.721 -4.688 -0.153 1.00 0.36 H new ATOM 0 HG LEU A 31 9.096 -3.687 1.474 1.00 0.51 H new ATOM 0 HD11 LEU A 31 8.482 -1.318 1.191 1.00 1.01 H new ATOM 0 HD12 LEU A 31 10.164 -1.502 1.742 1.00 1.01 H new ATOM 0 HD13 LEU A 31 9.824 -1.113 0.039 1.00 1.01 H new ATOM 0 HD21 LEU A 31 7.440 -3.045 -0.220 1.00 1.10 H new ATOM 0 HD22 LEU A 31 8.737 -2.905 -1.431 1.00 1.10 H new ATOM 0 HD23 LEU A 31 8.362 -4.487 -0.708 1.00 1.10 H new ATOM 456 N THR A 32 11.597 -4.037 3.668 1.00 0.34 N ATOM 457 CA THR A 32 11.187 -4.778 4.840 1.00 0.38 C ATOM 458 C THR A 32 10.148 -3.963 5.605 1.00 0.35 C ATOM 459 O THR A 32 10.011 -2.757 5.377 1.00 0.36 O ATOM 460 CB THR A 32 12.400 -5.119 5.748 1.00 0.51 C ATOM 461 OG1 THR A 32 12.861 -3.949 6.433 1.00 0.60 O ATOM 462 CG2 THR A 32 13.553 -5.705 4.933 1.00 0.57 C ATOM 0 H THR A 32 12.013 -3.128 3.868 1.00 0.34 H new ATOM 0 HA THR A 32 10.748 -5.724 4.525 1.00 0.38 H new ATOM 0 HB THR A 32 12.065 -5.860 6.474 1.00 0.51 H new ATOM 0 HG1 THR A 32 13.122 -4.187 7.347 1.00 0.60 H new ATOM 0 HG21 THR A 32 14.388 -5.934 5.596 1.00 0.57 H new ATOM 0 HG22 THR A 32 13.222 -6.618 4.438 1.00 0.57 H new ATOM 0 HG23 THR A 32 13.873 -4.982 4.183 1.00 0.57 H new ATOM 470 N ASP A 33 9.415 -4.608 6.502 1.00 0.41 N ATOM 471 CA ASP A 33 8.349 -3.938 7.254 1.00 0.51 C ATOM 472 C ASP A 33 8.902 -2.950 8.283 1.00 0.51 C ATOM 473 O ASP A 33 8.140 -2.249 8.947 1.00 0.65 O ATOM 474 CB ASP A 33 7.442 -4.973 7.932 1.00 0.68 C ATOM 475 CG ASP A 33 8.196 -5.936 8.831 1.00 1.49 C ATOM 476 OD1 ASP A 33 8.777 -6.913 8.315 1.00 1.90 O ATOM 477 OD2 ASP A 33 8.230 -5.706 10.061 1.00 2.29 O ATOM 0 H ASP A 33 9.535 -5.595 6.731 1.00 0.41 H new ATOM 0 HA ASP A 33 7.760 -3.362 6.541 1.00 0.51 H new ATOM 0 HB2 ASP A 33 6.686 -4.453 8.521 1.00 0.68 H new ATOM 0 HB3 ASP A 33 6.914 -5.540 7.166 1.00 0.68 H new ATOM 482 N ASP A 34 10.222 -2.886 8.392 1.00 0.44 N ATOM 483 CA ASP A 34 10.884 -1.951 9.304 1.00 0.58 C ATOM 484 C ASP A 34 10.760 -0.512 8.795 1.00 0.49 C ATOM 485 O ASP A 34 10.857 0.444 9.566 1.00 0.63 O ATOM 486 CB ASP A 34 12.380 -2.282 9.428 1.00 0.74 C ATOM 487 CG ASP A 34 12.666 -3.721 9.802 1.00 1.52 C ATOM 488 OD1 ASP A 34 12.513 -4.597 8.931 1.00 2.29 O ATOM 489 OD2 ASP A 34 13.098 -3.970 10.949 1.00 1.77 O ATOM 0 H ASP A 34 10.863 -3.473 7.858 1.00 0.44 H new ATOM 0 HA ASP A 34 10.396 -2.046 10.274 1.00 0.58 H new ATOM 0 HB2 ASP A 34 12.870 -2.060 8.480 1.00 0.74 H new ATOM 0 HB3 ASP A 34 12.825 -1.628 10.178 1.00 0.74 H new ATOM 494 N SER A 35 10.545 -0.365 7.495 1.00 0.34 N ATOM 495 CA SER A 35 10.571 0.951 6.860 1.00 0.37 C ATOM 496 C SER A 35 9.299 1.747 7.154 1.00 0.29 C ATOM 497 O SER A 35 8.255 1.187 7.499 1.00 0.32 O ATOM 498 CB SER A 35 10.771 0.801 5.351 1.00 0.46 C ATOM 499 OG SER A 35 10.878 2.065 4.718 1.00 1.06 O ATOM 0 H SER A 35 10.351 -1.138 6.858 1.00 0.34 H new ATOM 0 HA SER A 35 11.409 1.508 7.279 1.00 0.37 H new ATOM 0 HB2 SER A 35 11.671 0.217 5.157 1.00 0.46 H new ATOM 0 HB3 SER A 35 9.934 0.248 4.924 1.00 0.46 H new ATOM 0 HG SER A 35 10.535 2.002 3.802 1.00 1.06 H new ATOM 505 N ASN A 36 9.405 3.062 7.009 1.00 0.32 N ATOM 506 CA ASN A 36 8.290 3.967 7.250 1.00 0.28 C ATOM 507 C ASN A 36 8.095 4.861 6.031 1.00 0.26 C ATOM 508 O ASN A 36 9.002 5.597 5.654 1.00 0.29 O ATOM 509 CB ASN A 36 8.551 4.815 8.513 1.00 0.31 C ATOM 510 CG ASN A 36 7.486 5.870 8.764 1.00 0.34 C ATOM 511 OD1 ASN A 36 7.759 6.907 9.357 1.00 0.61 O ATOM 512 ND2 ASN A 36 6.274 5.629 8.305 1.00 0.80 N ATOM 0 H ASN A 36 10.265 3.530 6.722 1.00 0.32 H new ATOM 0 HA ASN A 36 7.382 3.388 7.415 1.00 0.28 H new ATOM 0 HB2 ASN A 36 8.609 4.155 9.379 1.00 0.31 H new ATOM 0 HB3 ASN A 36 9.521 5.304 8.419 1.00 0.31 H new ATOM 0 HD21 ASN A 36 5.532 6.316 8.440 1.00 0.80 H new ATOM 0 HD22 ASN A 36 6.078 4.756 7.815 1.00 0.80 H new ATOM 519 N PHE A 37 6.915 4.781 5.411 1.00 0.24 N ATOM 520 CA PHE A 37 6.596 5.587 4.232 1.00 0.24 C ATOM 521 C PHE A 37 6.893 7.061 4.473 1.00 0.26 C ATOM 522 O PHE A 37 7.580 7.710 3.682 1.00 0.29 O ATOM 523 CB PHE A 37 5.126 5.408 3.858 1.00 0.24 C ATOM 524 CG PHE A 37 4.868 4.134 3.118 1.00 0.27 C ATOM 525 CD1 PHE A 37 5.357 3.930 1.839 1.00 0.41 C ATOM 526 CD2 PHE A 37 4.117 3.143 3.710 1.00 0.35 C ATOM 527 CE1 PHE A 37 5.097 2.749 1.168 1.00 0.47 C ATOM 528 CE2 PHE A 37 3.853 1.967 3.051 1.00 0.40 C ATOM 529 CZ PHE A 37 4.437 1.780 1.719 1.00 0.40 C ATOM 0 H PHE A 37 6.161 4.162 5.709 1.00 0.24 H new ATOM 0 HA PHE A 37 7.224 5.244 3.410 1.00 0.24 H new ATOM 0 HB2 PHE A 37 4.520 5.426 4.764 1.00 0.24 H new ATOM 0 HB3 PHE A 37 4.807 6.250 3.245 1.00 0.24 H new ATOM 0 HD1 PHE A 37 5.946 4.699 1.362 1.00 0.41 H new ATOM 0 HD2 PHE A 37 3.730 3.293 4.707 1.00 0.35 H new ATOM 0 HE1 PHE A 37 5.454 2.631 0.156 1.00 0.47 H new ATOM 0 HE2 PHE A 37 3.235 1.204 3.500 1.00 0.40 H new ATOM 0 HZ PHE A 37 4.318 0.840 1.200 1.00 0.40 H new ATOM 539 N ALA A 38 6.401 7.572 5.588 1.00 0.31 N ATOM 540 CA ALA A 38 6.579 8.973 5.927 1.00 0.36 C ATOM 541 C ALA A 38 8.047 9.294 6.206 1.00 0.39 C ATOM 542 O ALA A 38 8.517 10.387 5.899 1.00 0.42 O ATOM 543 CB ALA A 38 5.711 9.325 7.119 1.00 0.46 C ATOM 0 H ALA A 38 5.873 7.035 6.276 1.00 0.31 H new ATOM 0 HA ALA A 38 6.271 9.579 5.074 1.00 0.36 H new ATOM 0 HB1 ALA A 38 5.847 10.377 7.370 1.00 0.46 H new ATOM 0 HB2 ALA A 38 4.665 9.143 6.874 1.00 0.46 H new ATOM 0 HB3 ALA A 38 5.996 8.708 7.971 1.00 0.46 H new ATOM 549 N ASP A 39 8.778 8.328 6.758 1.00 0.41 N ATOM 550 CA ASP A 39 10.187 8.538 7.099 1.00 0.48 C ATOM 551 C ASP A 39 11.042 8.560 5.843 1.00 0.48 C ATOM 552 O ASP A 39 12.094 9.197 5.800 1.00 0.56 O ATOM 553 CB ASP A 39 10.689 7.452 8.057 1.00 0.54 C ATOM 554 CG ASP A 39 12.112 7.699 8.516 1.00 0.67 C ATOM 555 OD1 ASP A 39 12.398 8.808 9.019 1.00 0.83 O ATOM 556 OD2 ASP A 39 12.959 6.794 8.359 1.00 0.73 O ATOM 0 H ASP A 39 8.423 7.397 6.978 1.00 0.41 H new ATOM 0 HA ASP A 39 10.270 9.503 7.599 1.00 0.48 H new ATOM 0 HB2 ASP A 39 10.033 7.406 8.926 1.00 0.54 H new ATOM 0 HB3 ASP A 39 10.633 6.482 7.564 1.00 0.54 H new ATOM 561 N MET A 40 10.570 7.877 4.813 1.00 0.42 N ATOM 562 CA MET A 40 11.280 7.838 3.541 1.00 0.46 C ATOM 563 C MET A 40 11.012 9.106 2.753 1.00 0.46 C ATOM 564 O MET A 40 11.811 9.507 1.908 1.00 0.58 O ATOM 565 CB MET A 40 10.849 6.636 2.710 1.00 0.47 C ATOM 566 CG MET A 40 11.156 5.305 3.361 1.00 0.90 C ATOM 567 SD MET A 40 10.668 3.915 2.330 1.00 1.73 S ATOM 568 CE MET A 40 8.913 4.212 2.133 1.00 2.48 C ATOM 0 H MET A 40 9.701 7.343 4.830 1.00 0.42 H new ATOM 0 HA MET A 40 12.345 7.755 3.757 1.00 0.46 H new ATOM 0 HB2 MET A 40 9.777 6.700 2.523 1.00 0.47 H new ATOM 0 HB3 MET A 40 11.345 6.679 1.740 1.00 0.47 H new ATOM 0 HG2 MET A 40 12.224 5.243 3.570 1.00 0.90 H new ATOM 0 HG3 MET A 40 10.640 5.243 4.319 1.00 0.90 H new ATOM 0 HE1 MET A 40 8.512 3.536 1.377 1.00 2.48 H new ATOM 0 HE2 MET A 40 8.406 4.037 3.082 1.00 2.48 H new ATOM 0 HE3 MET A 40 8.751 5.243 1.820 1.00 2.48 H new ATOM 578 N GLY A 41 9.888 9.739 3.052 1.00 0.40 N ATOM 579 CA GLY A 41 9.520 10.954 2.350 1.00 0.44 C ATOM 580 C GLY A 41 8.426 10.726 1.326 1.00 0.36 C ATOM 581 O GLY A 41 8.336 11.457 0.339 1.00 0.40 O ATOM 0 H GLY A 41 9.225 9.436 3.765 1.00 0.40 H new ATOM 0 HA2 GLY A 41 9.187 11.700 3.072 1.00 0.44 H new ATOM 0 HA3 GLY A 41 10.399 11.362 1.852 1.00 0.44 H new ATOM 585 N ILE A 42 7.602 9.706 1.550 1.00 0.31 N ATOM 586 CA ILE A 42 6.459 9.459 0.682 1.00 0.27 C ATOM 587 C ILE A 42 5.474 10.609 0.797 1.00 0.27 C ATOM 588 O ILE A 42 4.809 10.776 1.820 1.00 0.28 O ATOM 589 CB ILE A 42 5.752 8.130 1.030 1.00 0.26 C ATOM 590 CG1 ILE A 42 6.673 6.952 0.709 1.00 0.35 C ATOM 591 CG2 ILE A 42 4.434 8.005 0.274 1.00 0.28 C ATOM 592 CD1 ILE A 42 6.915 6.751 -0.770 1.00 0.52 C ATOM 0 H ILE A 42 7.704 9.043 2.319 1.00 0.31 H new ATOM 0 HA ILE A 42 6.826 9.383 -0.342 1.00 0.27 H new ATOM 0 HB ILE A 42 5.528 8.121 2.097 1.00 0.26 H new ATOM 0 HG12 ILE A 42 7.631 7.106 1.207 1.00 0.35 H new ATOM 0 HG13 ILE A 42 6.241 6.041 1.124 1.00 0.35 H new ATOM 0 HG21 ILE A 42 3.953 7.062 0.534 1.00 0.28 H new ATOM 0 HG22 ILE A 42 3.779 8.833 0.545 1.00 0.28 H new ATOM 0 HG23 ILE A 42 4.626 8.031 -0.799 1.00 0.28 H new ATOM 0 HD11 ILE A 42 7.577 5.898 -0.918 1.00 0.52 H new ATOM 0 HD12 ILE A 42 5.966 6.565 -1.272 1.00 0.52 H new ATOM 0 HD13 ILE A 42 7.377 7.645 -1.188 1.00 0.52 H new ATOM 604 N ASP A 43 5.409 11.410 -0.249 1.00 0.33 N ATOM 605 CA ASP A 43 4.585 12.609 -0.244 1.00 0.40 C ATOM 606 C ASP A 43 3.137 12.261 -0.569 1.00 0.35 C ATOM 607 O ASP A 43 2.812 11.105 -0.865 1.00 0.33 O ATOM 608 CB ASP A 43 5.130 13.600 -1.274 1.00 0.56 C ATOM 609 CG ASP A 43 4.881 15.055 -0.907 1.00 1.09 C ATOM 610 OD1 ASP A 43 3.720 15.393 -0.594 1.00 1.94 O ATOM 611 OD2 ASP A 43 5.836 15.858 -0.913 1.00 1.40 O ATOM 0 H ASP A 43 5.919 11.253 -1.118 1.00 0.33 H new ATOM 0 HA ASP A 43 4.615 13.060 0.748 1.00 0.40 H new ATOM 0 HB2 ASP A 43 6.202 13.441 -1.388 1.00 0.56 H new ATOM 0 HB3 ASP A 43 4.673 13.394 -2.242 1.00 0.56 H new ATOM 616 N SER A 44 2.279 13.266 -0.522 1.00 0.39 N ATOM 617 CA SER A 44 0.875 13.111 -0.860 1.00 0.43 C ATOM 618 C SER A 44 0.738 12.658 -2.309 1.00 0.40 C ATOM 619 O SER A 44 -0.074 11.786 -2.626 1.00 0.42 O ATOM 620 CB SER A 44 0.150 14.437 -0.628 1.00 0.57 C ATOM 621 OG SER A 44 -1.244 14.364 -1.055 1.00 1.03 O ATOM 0 H SER A 44 2.537 14.214 -0.248 1.00 0.39 H new ATOM 0 HA SER A 44 0.423 12.350 -0.224 1.00 0.43 H new ATOM 0 HB2 SER A 44 0.195 14.698 0.429 1.00 0.57 H new ATOM 0 HB3 SER A 44 0.658 15.232 -1.174 1.00 0.57 H new ATOM 626 N LEU A 45 1.572 13.234 -3.171 1.00 0.39 N ATOM 627 CA LEU A 45 1.599 12.881 -4.586 1.00 0.39 C ATOM 628 C LEU A 45 1.842 11.380 -4.746 1.00 0.32 C ATOM 629 O LEU A 45 1.034 10.673 -5.346 1.00 0.32 O ATOM 630 CB LEU A 45 2.700 13.697 -5.301 1.00 0.47 C ATOM 631 CG LEU A 45 2.651 13.737 -6.839 1.00 0.54 C ATOM 632 CD1 LEU A 45 3.124 12.428 -7.451 1.00 0.52 C ATOM 633 CD2 LEU A 45 1.247 14.066 -7.320 1.00 0.59 C ATOM 0 H LEU A 45 2.245 13.955 -2.909 1.00 0.39 H new ATOM 0 HA LEU A 45 0.637 13.120 -5.040 1.00 0.39 H new ATOM 0 HB2 LEU A 45 2.655 14.722 -4.934 1.00 0.47 H new ATOM 0 HB3 LEU A 45 3.668 13.294 -5.003 1.00 0.47 H new ATOM 0 HG LEU A 45 3.331 14.523 -7.167 1.00 0.54 H new ATOM 0 HD11 LEU A 45 3.075 12.496 -8.538 1.00 0.52 H new ATOM 0 HD12 LEU A 45 4.152 12.234 -7.146 1.00 0.52 H new ATOM 0 HD13 LEU A 45 2.485 11.614 -7.109 1.00 0.52 H new ATOM 0 HD21 LEU A 45 1.232 14.090 -8.410 1.00 0.59 H new ATOM 0 HD22 LEU A 45 0.553 13.305 -6.964 1.00 0.59 H new ATOM 0 HD23 LEU A 45 0.948 15.040 -6.932 1.00 0.59 H new ATOM 645 N SER A 46 2.943 10.903 -4.178 1.00 0.30 N ATOM 646 CA SER A 46 3.325 9.503 -4.287 1.00 0.28 C ATOM 647 C SER A 46 2.251 8.591 -3.703 1.00 0.25 C ATOM 648 O SER A 46 1.883 7.582 -4.303 1.00 0.25 O ATOM 649 CB SER A 46 4.648 9.285 -3.555 1.00 0.35 C ATOM 650 OG SER A 46 5.555 10.338 -3.836 1.00 1.22 O ATOM 0 H SER A 46 3.591 11.472 -3.633 1.00 0.30 H new ATOM 0 HA SER A 46 3.438 9.254 -5.342 1.00 0.28 H new ATOM 0 HB2 SER A 46 4.470 9.228 -2.481 1.00 0.35 H new ATOM 0 HB3 SER A 46 5.084 8.333 -3.857 1.00 0.35 H new ATOM 0 HG SER A 46 6.396 10.182 -3.357 1.00 1.22 H new ATOM 656 N SER A 47 1.741 8.973 -2.544 1.00 0.27 N ATOM 657 CA SER A 47 0.735 8.186 -1.844 1.00 0.33 C ATOM 658 C SER A 47 -0.511 7.983 -2.696 1.00 0.32 C ATOM 659 O SER A 47 -1.107 6.903 -2.693 1.00 0.36 O ATOM 660 CB SER A 47 0.358 8.882 -0.541 1.00 0.44 C ATOM 661 OG SER A 47 1.489 9.031 0.294 1.00 0.81 O ATOM 0 H SER A 47 2.009 9.831 -2.063 1.00 0.27 H new ATOM 0 HA SER A 47 1.161 7.205 -1.633 1.00 0.33 H new ATOM 0 HB2 SER A 47 -0.072 9.860 -0.757 1.00 0.44 H new ATOM 0 HB3 SER A 47 -0.408 8.305 -0.024 1.00 0.44 H new ATOM 0 HG SER A 47 1.988 9.832 0.029 1.00 0.81 H new ATOM 667 N MET A 48 -0.895 9.025 -3.416 1.00 0.32 N ATOM 668 CA MET A 48 -2.084 8.973 -4.254 1.00 0.35 C ATOM 669 C MET A 48 -1.825 8.112 -5.474 1.00 0.31 C ATOM 670 O MET A 48 -2.694 7.366 -5.929 1.00 0.37 O ATOM 671 CB MET A 48 -2.489 10.374 -4.699 1.00 0.41 C ATOM 672 CG MET A 48 -3.880 10.424 -5.321 1.00 0.52 C ATOM 673 SD MET A 48 -5.167 9.811 -4.214 1.00 1.75 S ATOM 674 CE MET A 48 -6.621 10.032 -5.237 1.00 2.25 C ATOM 0 H MET A 48 -0.401 9.917 -3.438 1.00 0.32 H new ATOM 0 HA MET A 48 -2.895 8.539 -3.669 1.00 0.35 H new ATOM 0 HB2 MET A 48 -2.457 11.045 -3.841 1.00 0.41 H new ATOM 0 HB3 MET A 48 -1.761 10.744 -5.421 1.00 0.41 H new ATOM 0 HG2 MET A 48 -4.110 11.452 -5.603 1.00 0.52 H new ATOM 0 HG3 MET A 48 -3.884 9.833 -6.237 1.00 0.52 H new ATOM 0 HE1 MET A 48 -7.431 9.410 -4.857 1.00 2.25 H new ATOM 0 HE2 MET A 48 -6.926 11.078 -5.215 1.00 2.25 H new ATOM 0 HE3 MET A 48 -6.392 9.742 -6.262 1.00 2.25 H new ATOM 684 N VAL A 49 -0.612 8.218 -5.989 1.00 0.27 N ATOM 685 CA VAL A 49 -0.197 7.457 -7.143 1.00 0.25 C ATOM 686 C VAL A 49 -0.233 5.969 -6.822 1.00 0.20 C ATOM 687 O VAL A 49 -0.877 5.195 -7.527 1.00 0.22 O ATOM 688 CB VAL A 49 1.224 7.877 -7.596 1.00 0.28 C ATOM 689 CG1 VAL A 49 1.801 6.863 -8.569 1.00 0.34 C ATOM 690 CG2 VAL A 49 1.213 9.271 -8.229 1.00 0.36 C ATOM 0 H VAL A 49 0.109 8.835 -5.615 1.00 0.27 H new ATOM 0 HA VAL A 49 -0.888 7.661 -7.961 1.00 0.25 H new ATOM 0 HB VAL A 49 1.858 7.910 -6.710 1.00 0.28 H new ATOM 0 HG11 VAL A 49 2.799 7.178 -8.874 1.00 0.34 H new ATOM 0 HG12 VAL A 49 1.860 5.888 -8.086 1.00 0.34 H new ATOM 0 HG13 VAL A 49 1.158 6.794 -9.447 1.00 0.34 H new ATOM 0 HG21 VAL A 49 2.224 9.539 -8.537 1.00 0.36 H new ATOM 0 HG22 VAL A 49 0.557 9.270 -9.099 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.851 9.998 -7.502 1.00 0.36 H new ATOM 700 N ILE A 50 0.446 5.582 -5.745 1.00 0.18 N ATOM 701 CA ILE A 50 0.504 4.194 -5.320 1.00 0.18 C ATOM 702 C ILE A 50 -0.897 3.574 -5.251 1.00 0.20 C ATOM 703 O ILE A 50 -1.149 2.524 -5.850 1.00 0.20 O ATOM 704 CB ILE A 50 1.198 4.072 -3.946 1.00 0.20 C ATOM 705 CG1 ILE A 50 2.629 4.613 -4.013 1.00 0.21 C ATOM 706 CG2 ILE A 50 1.205 2.628 -3.489 1.00 0.26 C ATOM 707 CD1 ILE A 50 3.365 4.549 -2.692 1.00 0.22 C ATOM 0 H ILE A 50 0.968 6.222 -5.147 1.00 0.18 H new ATOM 0 HA ILE A 50 1.087 3.648 -6.062 1.00 0.18 H new ATOM 0 HB ILE A 50 0.639 4.667 -3.224 1.00 0.20 H new ATOM 0 HG12 ILE A 50 3.188 4.047 -4.758 1.00 0.21 H new ATOM 0 HG13 ILE A 50 2.601 5.648 -4.354 1.00 0.21 H new ATOM 0 HG21 ILE A 50 1.697 2.556 -2.519 1.00 0.26 H new ATOM 0 HG22 ILE A 50 0.180 2.269 -3.403 1.00 0.26 H new ATOM 0 HG23 ILE A 50 1.743 2.019 -4.215 1.00 0.26 H new ATOM 0 HD11 ILE A 50 4.371 4.949 -2.816 1.00 0.22 H new ATOM 0 HD12 ILE A 50 2.829 5.139 -1.948 1.00 0.22 H new ATOM 0 HD13 ILE A 50 3.425 3.513 -2.359 1.00 0.22 H new ATOM 719 N GLY A 51 -1.803 4.239 -4.539 1.00 0.24 N ATOM 720 CA GLY A 51 -3.160 3.738 -4.405 1.00 0.29 C ATOM 721 C GLY A 51 -3.874 3.628 -5.741 1.00 0.25 C ATOM 722 O GLY A 51 -4.645 2.693 -5.964 1.00 0.25 O ATOM 0 H GLY A 51 -1.621 5.117 -4.052 1.00 0.24 H new ATOM 0 HA2 GLY A 51 -3.137 2.758 -3.927 1.00 0.29 H new ATOM 0 HA3 GLY A 51 -3.725 4.400 -3.748 1.00 0.29 H new ATOM 726 N SER A 52 -3.617 4.580 -6.629 1.00 0.26 N ATOM 727 CA SER A 52 -4.207 4.545 -7.972 1.00 0.26 C ATOM 728 C SER A 52 -3.712 3.322 -8.741 1.00 0.22 C ATOM 729 O SER A 52 -4.498 2.618 -9.377 1.00 0.23 O ATOM 730 CB SER A 52 -3.886 5.818 -8.774 1.00 0.35 C ATOM 731 OG SER A 52 -4.899 6.085 -9.737 1.00 0.92 O ATOM 0 H SER A 52 -3.011 5.381 -6.452 1.00 0.26 H new ATOM 0 HA SER A 52 -5.288 4.487 -7.845 1.00 0.26 H new ATOM 0 HB2 SER A 52 -3.793 6.666 -8.095 1.00 0.35 H new ATOM 0 HB3 SER A 52 -2.925 5.703 -9.275 1.00 0.35 H new ATOM 0 HG SER A 52 -4.673 6.900 -10.232 1.00 0.92 H new ATOM 737 N ARG A 53 -2.409 3.057 -8.657 1.00 0.21 N ATOM 738 CA ARG A 53 -1.801 1.961 -9.407 1.00 0.21 C ATOM 739 C ARG A 53 -2.325 0.619 -8.916 1.00 0.21 C ATOM 740 O ARG A 53 -2.357 -0.354 -9.669 1.00 0.28 O ATOM 741 CB ARG A 53 -0.278 1.986 -9.294 1.00 0.26 C ATOM 742 CG ARG A 53 0.325 3.370 -9.428 1.00 0.37 C ATOM 743 CD ARG A 53 1.782 3.297 -9.837 1.00 0.45 C ATOM 744 NE ARG A 53 1.976 3.558 -11.261 1.00 0.67 N ATOM 745 CZ ARG A 53 3.166 3.517 -11.861 1.00 0.95 C ATOM 746 NH1 ARG A 53 4.259 3.267 -11.148 1.00 1.13 N ATOM 747 NH2 ARG A 53 3.271 3.748 -13.164 1.00 1.23 N ATOM 0 H ARG A 53 -1.756 3.585 -8.078 1.00 0.21 H new ATOM 0 HA ARG A 53 -2.073 2.093 -10.454 1.00 0.21 H new ATOM 0 HB2 ARG A 53 0.012 1.566 -8.331 1.00 0.26 H new ATOM 0 HB3 ARG A 53 0.144 1.340 -10.064 1.00 0.26 H new ATOM 0 HG2 ARG A 53 -0.234 3.943 -10.167 1.00 0.37 H new ATOM 0 HG3 ARG A 53 0.237 3.901 -8.480 1.00 0.37 H new ATOM 0 HD2 ARG A 53 2.356 4.020 -9.257 1.00 0.45 H new ATOM 0 HD3 ARG A 53 2.175 2.310 -9.595 1.00 0.45 H new ATOM 0 HE ARG A 53 1.158 3.784 -11.826 1.00 0.67 H new ATOM 0 HH11 ARG A 53 4.187 3.107 -10.143 1.00 1.13 H new ATOM 0 HH12 ARG A 53 5.170 3.235 -11.605 1.00 1.13 H new ATOM 0 HH21 ARG A 53 2.438 3.959 -13.713 1.00 1.23 H new ATOM 0 HH22 ARG A 53 4.185 3.715 -13.616 1.00 1.23 H new ATOM 761 N PHE A 54 -2.735 0.576 -7.651 1.00 0.17 N ATOM 762 CA PHE A 54 -3.353 -0.618 -7.083 1.00 0.20 C ATOM 763 C PHE A 54 -4.578 -1.006 -7.894 1.00 0.23 C ATOM 764 O PHE A 54 -4.827 -2.181 -8.154 1.00 0.28 O ATOM 765 CB PHE A 54 -3.793 -0.360 -5.643 1.00 0.22 C ATOM 766 CG PHE A 54 -2.685 -0.316 -4.629 1.00 0.20 C ATOM 767 CD1 PHE A 54 -1.396 -0.616 -5.026 1.00 0.17 C ATOM 768 CD2 PHE A 54 -2.914 0.039 -3.304 1.00 0.26 C ATOM 769 CE1 PHE A 54 -0.348 -0.563 -4.129 1.00 0.18 C ATOM 770 CE2 PHE A 54 -1.868 0.087 -2.401 1.00 0.26 C ATOM 771 CZ PHE A 54 -0.694 -0.261 -2.694 1.00 0.19 C ATOM 0 H PHE A 54 -2.650 1.356 -6.999 1.00 0.17 H new ATOM 0 HA PHE A 54 -2.617 -1.421 -7.105 1.00 0.20 H new ATOM 0 HB2 PHE A 54 -4.331 0.587 -5.610 1.00 0.22 H new ATOM 0 HB3 PHE A 54 -4.499 -1.138 -5.352 1.00 0.22 H new ATOM 0 HD1 PHE A 54 -1.206 -0.896 -6.052 1.00 0.17 H new ATOM 0 HD2 PHE A 54 -3.915 0.279 -2.978 1.00 0.26 H new ATOM 0 HE1 PHE A 54 0.672 -0.730 -4.441 1.00 0.18 H new ATOM 0 HE2 PHE A 54 -2.067 0.439 -1.399 1.00 0.26 H new ATOM 0 HZ PHE A 54 0.058 -0.342 -1.924 1.00 0.19 H new ATOM 781 N ARG A 55 -5.342 -0.004 -8.295 1.00 0.23 N ATOM 782 CA ARG A 55 -6.567 -0.227 -9.037 1.00 0.31 C ATOM 783 C ARG A 55 -6.272 -0.523 -10.501 1.00 0.36 C ATOM 784 O ARG A 55 -7.029 -1.227 -11.164 1.00 0.43 O ATOM 785 CB ARG A 55 -7.463 1.000 -8.920 1.00 0.35 C ATOM 786 CG ARG A 55 -7.809 1.356 -7.486 1.00 0.39 C ATOM 787 CD ARG A 55 -8.754 2.542 -7.431 1.00 0.63 C ATOM 788 NE ARG A 55 -9.868 2.390 -8.367 1.00 1.45 N ATOM 789 CZ ARG A 55 -10.407 3.394 -9.054 1.00 1.87 C ATOM 790 NH1 ARG A 55 -9.984 4.637 -8.860 1.00 1.82 N ATOM 791 NH2 ARG A 55 -11.368 3.149 -9.934 1.00 2.81 N ATOM 0 H ARG A 55 -5.132 0.978 -8.116 1.00 0.23 H new ATOM 0 HA ARG A 55 -7.077 -1.093 -8.615 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -6.967 1.850 -9.388 1.00 0.35 H new ATOM 0 HB3 ARG A 55 -8.384 0.823 -9.475 1.00 0.35 H new ATOM 0 HG2 ARG A 55 -8.268 0.498 -6.996 1.00 0.39 H new ATOM 0 HG3 ARG A 55 -6.897 1.587 -6.935 1.00 0.39 H new ATOM 0 HD2 ARG A 55 -9.142 2.652 -6.418 1.00 0.63 H new ATOM 0 HD3 ARG A 55 -8.206 3.455 -7.663 1.00 0.63 H new ATOM 0 HE ARG A 55 -10.256 1.456 -8.501 1.00 1.45 H new ATOM 0 HH11 ARG A 55 -9.244 4.824 -8.183 1.00 1.82 H new ATOM 0 HH12 ARG A 55 -10.399 5.405 -9.388 1.00 1.82 H new ATOM 0 HH21 ARG A 55 -11.692 2.193 -10.083 1.00 2.81 H new ATOM 0 HH22 ARG A 55 -11.783 3.916 -10.462 1.00 2.81 H new ATOM 805 N GLU A 56 -5.157 0.000 -10.991 1.00 0.39 N ATOM 806 CA GLU A 56 -4.792 -0.163 -12.390 1.00 0.52 C ATOM 807 C GLU A 56 -4.175 -1.529 -12.649 1.00 0.47 C ATOM 808 O GLU A 56 -4.669 -2.299 -13.472 1.00 0.49 O ATOM 809 CB GLU A 56 -3.817 0.934 -12.818 1.00 0.73 C ATOM 810 CG GLU A 56 -4.412 2.332 -12.795 1.00 1.04 C ATOM 811 CD GLU A 56 -3.411 3.388 -13.210 1.00 1.54 C ATOM 812 OE1 GLU A 56 -2.982 3.379 -14.382 1.00 1.80 O ATOM 813 OE2 GLU A 56 -3.073 4.250 -12.369 1.00 2.26 O ATOM 0 H GLU A 56 -4.490 0.541 -10.440 1.00 0.39 H new ATOM 0 HA GLU A 56 -5.706 -0.084 -12.979 1.00 0.52 H new ATOM 0 HB2 GLU A 56 -2.947 0.909 -12.161 1.00 0.73 H new ATOM 0 HB3 GLU A 56 -3.462 0.718 -13.826 1.00 0.73 H new ATOM 0 HG2 GLU A 56 -5.274 2.369 -13.462 1.00 1.04 H new ATOM 0 HG3 GLU A 56 -4.776 2.553 -11.792 1.00 1.04 H new ATOM 820 N ASP A 57 -3.111 -1.835 -11.929 1.00 0.51 N ATOM 821 CA ASP A 57 -2.338 -3.044 -12.194 1.00 0.58 C ATOM 822 C ASP A 57 -2.882 -4.251 -11.429 1.00 0.55 C ATOM 823 O ASP A 57 -2.890 -5.371 -11.944 1.00 0.67 O ATOM 824 CB ASP A 57 -0.864 -2.810 -11.831 1.00 0.67 C ATOM 825 CG ASP A 57 0.028 -3.981 -12.200 1.00 1.64 C ATOM 826 OD1 ASP A 57 0.311 -4.160 -13.405 1.00 1.62 O ATOM 827 OD2 ASP A 57 0.460 -4.721 -11.295 1.00 2.62 O ATOM 0 H ASP A 57 -2.760 -1.268 -11.158 1.00 0.51 H new ATOM 0 HA ASP A 57 -2.424 -3.266 -13.258 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -0.508 -1.914 -12.339 1.00 0.67 H new ATOM 0 HB3 ASP A 57 -0.784 -2.622 -10.760 1.00 0.67 H new ATOM 832 N LEU A 58 -3.353 -4.023 -10.208 1.00 0.44 N ATOM 833 CA LEU A 58 -3.753 -5.122 -9.327 1.00 0.45 C ATOM 834 C LEU A 58 -5.265 -5.329 -9.326 1.00 0.45 C ATOM 835 O LEU A 58 -5.750 -6.424 -9.036 1.00 0.67 O ATOM 836 CB LEU A 58 -3.265 -4.877 -7.890 1.00 0.41 C ATOM 837 CG LEU A 58 -1.768 -5.094 -7.651 1.00 0.34 C ATOM 838 CD1 LEU A 58 -0.947 -4.156 -8.517 1.00 0.34 C ATOM 839 CD2 LEU A 58 -1.439 -4.894 -6.180 1.00 0.32 C ATOM 0 H LEU A 58 -3.468 -3.093 -9.804 1.00 0.44 H new ATOM 0 HA LEU A 58 -3.286 -6.026 -9.717 1.00 0.45 H new ATOM 0 HB2 LEU A 58 -3.514 -3.853 -7.611 1.00 0.41 H new ATOM 0 HB3 LEU A 58 -3.820 -5.534 -7.220 1.00 0.41 H new ATOM 0 HG LEU A 58 -1.515 -6.118 -7.928 1.00 0.34 H new ATOM 0 HD11 LEU A 58 0.114 -4.326 -8.333 1.00 0.34 H new ATOM 0 HD12 LEU A 58 -1.167 -4.344 -9.568 1.00 0.34 H new ATOM 0 HD13 LEU A 58 -1.197 -3.123 -8.273 1.00 0.34 H new ATOM 0 HD21 LEU A 58 -0.372 -5.051 -6.021 1.00 0.32 H new ATOM 0 HD22 LEU A 58 -1.705 -3.880 -5.882 1.00 0.32 H new ATOM 0 HD23 LEU A 58 -2.004 -5.608 -5.581 1.00 0.32 H new ATOM 851 N GLY A 59 -6.005 -4.276 -9.639 1.00 0.33 N ATOM 852 CA GLY A 59 -7.452 -4.359 -9.612 1.00 0.36 C ATOM 853 C GLY A 59 -7.987 -4.369 -8.192 1.00 0.37 C ATOM 854 O GLY A 59 -8.881 -5.144 -7.861 1.00 0.45 O ATOM 0 H GLY A 59 -5.631 -3.367 -9.911 1.00 0.33 H new ATOM 0 HA2 GLY A 59 -7.875 -3.514 -10.154 1.00 0.36 H new ATOM 0 HA3 GLY A 59 -7.774 -5.263 -10.129 1.00 0.36 H new ATOM 858 N LEU A 60 -7.405 -3.528 -7.341 1.00 0.33 N ATOM 859 CA LEU A 60 -7.837 -3.422 -5.953 1.00 0.36 C ATOM 860 C LEU A 60 -9.032 -2.489 -5.797 1.00 0.46 C ATOM 861 O LEU A 60 -9.069 -1.409 -6.389 1.00 0.63 O ATOM 862 CB LEU A 60 -6.691 -2.931 -5.073 1.00 0.35 C ATOM 863 CG LEU A 60 -5.730 -4.021 -4.628 1.00 0.40 C ATOM 864 CD1 LEU A 60 -4.575 -3.429 -3.842 1.00 0.41 C ATOM 865 CD2 LEU A 60 -6.467 -5.054 -3.790 1.00 0.58 C ATOM 0 H LEU A 60 -6.633 -2.910 -7.590 1.00 0.33 H new ATOM 0 HA LEU A 60 -8.142 -4.419 -5.636 1.00 0.36 H new ATOM 0 HB2 LEU A 60 -6.131 -2.170 -5.617 1.00 0.35 H new ATOM 0 HB3 LEU A 60 -7.109 -2.449 -4.189 1.00 0.35 H new ATOM 0 HG LEU A 60 -5.324 -4.509 -5.514 1.00 0.40 H new ATOM 0 HD11 LEU A 60 -3.899 -4.226 -3.533 1.00 0.41 H new ATOM 0 HD12 LEU A 60 -4.036 -2.718 -4.468 1.00 0.41 H new ATOM 0 HD13 LEU A 60 -4.960 -2.917 -2.960 1.00 0.41 H new ATOM 0 HD21 LEU A 60 -5.771 -5.831 -3.475 1.00 0.58 H new ATOM 0 HD22 LEU A 60 -6.894 -4.572 -2.911 1.00 0.58 H new ATOM 0 HD23 LEU A 60 -7.266 -5.500 -4.382 1.00 0.58 H new ATOM 877 N ASP A 61 -10.002 -2.909 -4.990 1.00 0.59 N ATOM 878 CA ASP A 61 -11.148 -2.072 -4.670 1.00 0.76 C ATOM 879 C ASP A 61 -10.892 -1.300 -3.387 1.00 0.66 C ATOM 880 O ASP A 61 -11.211 -1.769 -2.293 1.00 0.89 O ATOM 881 CB ASP A 61 -12.422 -2.908 -4.503 1.00 1.10 C ATOM 882 CG ASP A 61 -12.875 -3.560 -5.787 1.00 1.56 C ATOM 883 OD1 ASP A 61 -13.553 -2.885 -6.593 1.00 2.27 O ATOM 884 OD2 ASP A 61 -12.573 -4.755 -5.990 1.00 2.04 O ATOM 0 H ASP A 61 -10.015 -3.827 -4.546 1.00 0.59 H new ATOM 0 HA ASP A 61 -11.290 -1.379 -5.500 1.00 0.76 H new ATOM 0 HB2 ASP A 61 -12.248 -3.679 -3.753 1.00 1.10 H new ATOM 0 HB3 ASP A 61 -13.221 -2.270 -4.125 1.00 1.10 H new ATOM 889 N LEU A 62 -10.292 -0.133 -3.521 1.00 0.57 N ATOM 890 CA LEU A 62 -10.022 0.711 -2.367 1.00 0.66 C ATOM 891 C LEU A 62 -10.864 1.977 -2.442 1.00 0.72 C ATOM 892 O LEU A 62 -11.692 2.239 -1.572 1.00 1.01 O ATOM 893 CB LEU A 62 -8.530 1.064 -2.281 1.00 0.80 C ATOM 894 CG LEU A 62 -7.749 0.371 -1.154 1.00 1.00 C ATOM 895 CD1 LEU A 62 -8.443 0.581 0.178 1.00 1.64 C ATOM 896 CD2 LEU A 62 -7.581 -1.115 -1.425 1.00 1.28 C ATOM 0 H LEU A 62 -9.982 0.254 -4.413 1.00 0.57 H new ATOM 0 HA LEU A 62 -10.289 0.159 -1.466 1.00 0.66 H new ATOM 0 HB2 LEU A 62 -8.060 0.813 -3.232 1.00 0.80 H new ATOM 0 HB3 LEU A 62 -8.437 2.143 -2.154 1.00 0.80 H new ATOM 0 HG LEU A 62 -6.757 0.821 -1.115 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -7.877 0.084 0.966 1.00 1.64 H new ATOM 0 HD12 LEU A 62 -8.503 1.648 0.393 1.00 1.64 H new ATOM 0 HD13 LEU A 62 -9.448 0.162 0.134 1.00 1.64 H new ATOM 0 HD21 LEU A 62 -7.024 -1.573 -0.608 1.00 1.28 H new ATOM 0 HD22 LEU A 62 -8.562 -1.584 -1.503 1.00 1.28 H new ATOM 0 HD23 LEU A 62 -7.036 -1.255 -2.359 1.00 1.28 H new ATOM 908 N GLY A 63 -10.653 2.755 -3.493 1.00 0.68 N ATOM 909 CA GLY A 63 -11.430 3.957 -3.692 1.00 0.75 C ATOM 910 C GLY A 63 -10.565 5.141 -4.053 1.00 0.71 C ATOM 911 O GLY A 63 -9.342 5.063 -3.975 1.00 0.75 O ATOM 0 H GLY A 63 -9.954 2.573 -4.213 1.00 0.68 H new ATOM 0 HA2 GLY A 63 -12.161 3.788 -4.483 1.00 0.75 H new ATOM 0 HA3 GLY A 63 -11.989 4.181 -2.784 1.00 0.75 H new ATOM 915 N PRO A 64 -11.179 6.260 -4.446 1.00 0.78 N ATOM 916 CA PRO A 64 -10.458 7.478 -4.808 1.00 0.88 C ATOM 917 C PRO A 64 -10.146 8.337 -3.591 1.00 0.88 C ATOM 918 O PRO A 64 -9.734 9.490 -3.706 1.00 1.13 O ATOM 919 CB PRO A 64 -11.447 8.184 -5.721 1.00 1.03 C ATOM 920 CG PRO A 64 -12.787 7.802 -5.184 1.00 1.00 C ATOM 921 CD PRO A 64 -12.638 6.430 -4.572 1.00 0.90 C ATOM 0 HA PRO A 64 -9.491 7.277 -5.268 1.00 0.88 H new ATOM 0 HB2 PRO A 64 -11.304 9.264 -5.701 1.00 1.03 H new ATOM 0 HB3 PRO A 64 -11.329 7.866 -6.757 1.00 1.03 H new ATOM 0 HG2 PRO A 64 -13.125 8.523 -4.439 1.00 1.00 H new ATOM 0 HG3 PRO A 64 -13.533 7.792 -5.979 1.00 1.00 H new ATOM 0 HD2 PRO A 64 -13.134 6.368 -3.603 1.00 0.90 H new ATOM 0 HD3 PRO A 64 -13.078 5.659 -5.205 1.00 0.90 H new ATOM 929 N GLU A 65 -10.371 7.761 -2.425 1.00 0.77 N ATOM 930 CA GLU A 65 -10.171 8.461 -1.165 1.00 0.97 C ATOM 931 C GLU A 65 -9.101 7.772 -0.329 1.00 0.79 C ATOM 932 O GLU A 65 -8.910 8.091 0.845 1.00 0.85 O ATOM 933 CB GLU A 65 -11.489 8.524 -0.393 1.00 1.28 C ATOM 934 CG GLU A 65 -12.650 9.001 -1.255 1.00 1.79 C ATOM 935 CD GLU A 65 -13.950 9.122 -0.495 1.00 2.02 C ATOM 936 OE1 GLU A 65 -14.477 8.078 -0.061 1.00 2.36 O ATOM 937 OE2 GLU A 65 -14.434 10.253 -0.310 1.00 2.33 O ATOM 0 H GLU A 65 -10.696 6.800 -2.322 1.00 0.77 H new ATOM 0 HA GLU A 65 -9.834 9.475 -1.379 1.00 0.97 H new ATOM 0 HB2 GLU A 65 -11.720 7.536 0.006 1.00 1.28 H new ATOM 0 HB3 GLU A 65 -11.375 9.194 0.459 1.00 1.28 H new ATOM 0 HG2 GLU A 65 -12.398 9.970 -1.687 1.00 1.79 H new ATOM 0 HG3 GLU A 65 -12.786 8.308 -2.085 1.00 1.79 H new ATOM 944 N PHE A 66 -8.409 6.823 -0.940 1.00 0.73 N ATOM 945 CA PHE A 66 -7.351 6.098 -0.263 1.00 0.62 C ATOM 946 C PHE A 66 -5.992 6.725 -0.561 1.00 0.53 C ATOM 947 O PHE A 66 -5.544 6.752 -1.704 1.00 0.62 O ATOM 948 CB PHE A 66 -7.373 4.629 -0.696 1.00 0.66 C ATOM 949 CG PHE A 66 -6.296 3.780 -0.085 1.00 0.61 C ATOM 950 CD1 PHE A 66 -6.400 3.316 1.218 1.00 0.69 C ATOM 951 CD2 PHE A 66 -5.179 3.437 -0.826 1.00 0.60 C ATOM 952 CE1 PHE A 66 -5.405 2.531 1.766 1.00 0.73 C ATOM 953 CE2 PHE A 66 -4.184 2.653 -0.284 1.00 0.64 C ATOM 954 CZ PHE A 66 -4.296 2.199 1.014 1.00 0.70 C ATOM 0 H PHE A 66 -8.564 6.538 -1.907 1.00 0.73 H new ATOM 0 HA PHE A 66 -7.518 6.153 0.813 1.00 0.62 H new ATOM 0 HB2 PHE A 66 -8.343 4.203 -0.439 1.00 0.66 H new ATOM 0 HB3 PHE A 66 -7.282 4.583 -1.781 1.00 0.66 H new ATOM 0 HD1 PHE A 66 -7.267 3.571 1.809 1.00 0.69 H new ATOM 0 HD2 PHE A 66 -5.086 3.789 -1.843 1.00 0.60 H new ATOM 0 HE1 PHE A 66 -5.494 2.177 2.782 1.00 0.73 H new ATOM 0 HE2 PHE A 66 -3.318 2.394 -0.874 1.00 0.64 H new ATOM 0 HZ PHE A 66 -3.517 1.585 1.441 1.00 0.70 H new ATOM 964 N SER A 67 -5.348 7.239 0.478 1.00 0.43 N ATOM 965 CA SER A 67 -4.023 7.825 0.350 1.00 0.37 C ATOM 966 C SER A 67 -3.133 7.378 1.508 1.00 0.35 C ATOM 967 O SER A 67 -3.466 7.589 2.677 1.00 0.39 O ATOM 968 CB SER A 67 -4.120 9.353 0.309 1.00 0.41 C ATOM 969 OG SER A 67 -4.991 9.778 -0.729 1.00 1.39 O ATOM 0 H SER A 67 -5.726 7.261 1.425 1.00 0.43 H new ATOM 0 HA SER A 67 -3.577 7.481 -0.583 1.00 0.37 H new ATOM 0 HB2 SER A 67 -4.482 9.724 1.268 1.00 0.41 H new ATOM 0 HB3 SER A 67 -3.129 9.780 0.155 1.00 0.41 H new ATOM 0 HG SER A 67 -4.586 9.578 -1.599 1.00 1.39 H new ATOM 975 N LEU A 68 -2.007 6.754 1.170 1.00 0.34 N ATOM 976 CA LEU A 68 -1.089 6.200 2.170 1.00 0.34 C ATOM 977 C LEU A 68 -0.619 7.256 3.158 1.00 0.37 C ATOM 978 O LEU A 68 -0.572 7.011 4.354 1.00 0.62 O ATOM 979 CB LEU A 68 0.134 5.580 1.492 1.00 0.33 C ATOM 980 CG LEU A 68 -0.160 4.436 0.530 1.00 0.26 C ATOM 981 CD1 LEU A 68 1.135 3.820 0.042 1.00 0.48 C ATOM 982 CD2 LEU A 68 -1.027 3.393 1.197 1.00 0.73 C ATOM 0 H LEU A 68 -1.704 6.617 0.206 1.00 0.34 H new ATOM 0 HA LEU A 68 -1.642 5.435 2.715 1.00 0.34 H new ATOM 0 HB2 LEU A 68 0.662 6.363 0.948 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.811 5.217 2.265 1.00 0.33 H new ATOM 0 HG LEU A 68 -0.703 4.832 -0.329 1.00 0.26 H new ATOM 0 HD11 LEU A 68 0.913 3.003 -0.645 1.00 0.48 H new ATOM 0 HD12 LEU A 68 1.727 4.577 -0.473 1.00 0.48 H new ATOM 0 HD13 LEU A 68 1.698 3.436 0.892 1.00 0.48 H new ATOM 0 HD21 LEU A 68 -1.227 2.583 0.495 1.00 0.73 H new ATOM 0 HD22 LEU A 68 -0.511 2.996 2.071 1.00 0.73 H new ATOM 0 HD23 LEU A 68 -1.969 3.846 1.506 1.00 0.73 H new ATOM 994 N PHE A 69 -0.313 8.436 2.641 1.00 0.31 N ATOM 995 CA PHE A 69 0.259 9.530 3.430 1.00 0.30 C ATOM 996 C PHE A 69 -0.613 9.889 4.644 1.00 0.35 C ATOM 997 O PHE A 69 -0.167 10.580 5.556 1.00 0.42 O ATOM 998 CB PHE A 69 0.438 10.750 2.517 1.00 0.36 C ATOM 999 CG PHE A 69 1.247 11.867 3.108 1.00 0.33 C ATOM 1000 CD1 PHE A 69 2.268 11.614 4.012 1.00 0.36 C ATOM 1001 CD2 PHE A 69 0.983 13.174 2.747 1.00 0.57 C ATOM 1002 CE1 PHE A 69 3.011 12.650 4.546 1.00 0.36 C ATOM 1003 CE2 PHE A 69 1.720 14.216 3.276 1.00 0.59 C ATOM 1004 CZ PHE A 69 2.734 13.953 4.180 1.00 0.36 C ATOM 0 H PHE A 69 -0.453 8.669 1.658 1.00 0.31 H new ATOM 0 HA PHE A 69 1.223 9.207 3.824 1.00 0.30 H new ATOM 0 HB2 PHE A 69 0.914 10.426 1.591 1.00 0.36 H new ATOM 0 HB3 PHE A 69 -0.547 11.135 2.252 1.00 0.36 H new ATOM 0 HD1 PHE A 69 2.485 10.596 4.302 1.00 0.36 H new ATOM 0 HD2 PHE A 69 0.191 13.384 2.043 1.00 0.57 H new ATOM 0 HE1 PHE A 69 3.806 12.442 5.247 1.00 0.36 H new ATOM 0 HE2 PHE A 69 1.505 15.234 2.985 1.00 0.59 H new ATOM 0 HZ PHE A 69 3.309 14.766 4.599 1.00 0.36 H new ATOM 1014 N ILE A 70 -1.851 9.407 4.664 1.00 0.38 N ATOM 1015 CA ILE A 70 -2.751 9.697 5.779 1.00 0.51 C ATOM 1016 C ILE A 70 -3.171 8.411 6.498 1.00 0.55 C ATOM 1017 O ILE A 70 -3.215 8.362 7.728 1.00 0.70 O ATOM 1018 CB ILE A 70 -4.020 10.481 5.322 1.00 0.60 C ATOM 1019 CG1 ILE A 70 -3.629 11.852 4.750 1.00 0.70 C ATOM 1020 CG2 ILE A 70 -4.994 10.652 6.484 1.00 0.74 C ATOM 1021 CD1 ILE A 70 -4.815 12.674 4.272 1.00 0.89 C ATOM 0 H ILE A 70 -2.252 8.821 3.932 1.00 0.38 H new ATOM 0 HA ILE A 70 -2.194 10.329 6.471 1.00 0.51 H new ATOM 0 HB ILE A 70 -4.513 9.905 4.539 1.00 0.60 H new ATOM 0 HG12 ILE A 70 -3.092 12.415 5.513 1.00 0.70 H new ATOM 0 HG13 ILE A 70 -2.940 11.706 3.918 1.00 0.70 H new ATOM 0 HG21 ILE A 70 -5.872 11.201 6.145 1.00 0.74 H new ATOM 0 HG22 ILE A 70 -5.298 9.672 6.851 1.00 0.74 H new ATOM 0 HG23 ILE A 70 -4.508 11.205 7.288 1.00 0.74 H new ATOM 0 HD11 ILE A 70 -4.462 13.629 3.881 1.00 0.89 H new ATOM 0 HD12 ILE A 70 -5.340 12.132 3.486 1.00 0.89 H new ATOM 0 HD13 ILE A 70 -5.494 12.852 5.106 1.00 0.89 H new ATOM 1033 N ASP A 71 -3.444 7.362 5.732 1.00 0.50 N ATOM 1034 CA ASP A 71 -4.069 6.162 6.291 1.00 0.65 C ATOM 1035 C ASP A 71 -3.074 5.004 6.425 1.00 0.58 C ATOM 1036 O ASP A 71 -3.450 3.889 6.780 1.00 0.70 O ATOM 1037 CB ASP A 71 -5.265 5.753 5.414 1.00 0.82 C ATOM 1038 CG ASP A 71 -6.223 4.811 6.116 1.00 1.45 C ATOM 1039 OD1 ASP A 71 -7.019 5.271 6.954 1.00 2.23 O ATOM 1040 OD2 ASP A 71 -6.160 3.589 5.853 1.00 1.80 O ATOM 0 H ASP A 71 -3.246 7.314 4.732 1.00 0.50 H new ATOM 0 HA ASP A 71 -4.417 6.397 7.297 1.00 0.65 H new ATOM 0 HB2 ASP A 71 -5.805 6.648 5.107 1.00 0.82 H new ATOM 0 HB3 ASP A 71 -4.896 5.276 4.506 1.00 0.82 H new ATOM 1045 N CYS A 72 -1.796 5.272 6.186 1.00 0.47 N ATOM 1046 CA CYS A 72 -0.783 4.229 6.223 1.00 0.49 C ATOM 1047 C CYS A 72 0.542 4.813 6.677 1.00 0.52 C ATOM 1048 O CYS A 72 0.939 5.899 6.259 1.00 1.00 O ATOM 1049 CB CYS A 72 -0.638 3.563 4.853 1.00 0.50 C ATOM 1050 SG CYS A 72 -2.095 2.624 4.331 1.00 0.59 S ATOM 0 H CYS A 72 -1.439 6.201 5.965 1.00 0.47 H new ATOM 0 HA CYS A 72 -1.094 3.465 6.935 1.00 0.49 H new ATOM 0 HB2 CYS A 72 -0.427 4.330 4.108 1.00 0.50 H new ATOM 0 HB3 CYS A 72 0.223 2.895 4.875 1.00 0.50 H new ATOM 0 HG CYS A 72 -3.047 2.780 5.202 1.00 0.59 H new ATOM 1056 N THR A 73 1.215 4.103 7.548 1.00 0.33 N ATOM 1057 CA THR A 73 2.416 4.619 8.161 1.00 0.34 C ATOM 1058 C THR A 73 3.646 3.807 7.734 1.00 0.29 C ATOM 1059 O THR A 73 4.434 4.258 6.895 1.00 0.39 O ATOM 1060 CB THR A 73 2.225 4.628 9.694 1.00 0.52 C ATOM 1061 OG1 THR A 73 1.908 3.305 10.158 1.00 0.63 O ATOM 1062 CG2 THR A 73 1.095 5.582 10.073 1.00 0.67 C ATOM 0 H THR A 73 0.952 3.165 7.850 1.00 0.33 H new ATOM 0 HA THR A 73 2.595 5.641 7.825 1.00 0.34 H new ATOM 0 HB THR A 73 3.152 4.962 10.160 1.00 0.52 H new ATOM 0 HG1 THR A 73 1.790 3.319 11.131 1.00 0.63 H new ATOM 0 HG21 THR A 73 0.967 5.582 11.155 1.00 0.67 H new ATOM 0 HG22 THR A 73 1.341 6.589 9.736 1.00 0.67 H new ATOM 0 HG23 THR A 73 0.169 5.257 9.598 1.00 0.67 H new ATOM 1070 N THR A 74 3.818 2.619 8.295 1.00 0.28 N ATOM 1071 CA THR A 74 4.923 1.752 7.900 1.00 0.27 C ATOM 1072 C THR A 74 4.558 0.960 6.643 1.00 0.25 C ATOM 1073 O THR A 74 3.499 1.183 6.054 1.00 0.25 O ATOM 1074 CB THR A 74 5.321 0.789 9.032 1.00 0.33 C ATOM 1075 OG1 THR A 74 4.204 -0.043 9.377 1.00 0.38 O ATOM 1076 CG2 THR A 74 5.789 1.557 10.263 1.00 0.36 C ATOM 0 H THR A 74 3.213 2.234 9.020 1.00 0.28 H new ATOM 0 HA THR A 74 5.780 2.391 7.685 1.00 0.27 H new ATOM 0 HB THR A 74 6.145 0.168 8.680 1.00 0.33 H new ATOM 0 HG1 THR A 74 4.462 -0.656 10.097 1.00 0.38 H new ATOM 0 HG21 THR A 74 6.064 0.853 11.048 1.00 0.36 H new ATOM 0 HG22 THR A 74 6.654 2.168 10.004 1.00 0.36 H new ATOM 0 HG23 THR A 74 4.984 2.200 10.618 1.00 0.36 H new ATOM 1084 N VAL A 75 5.404 0.016 6.239 1.00 0.25 N ATOM 1085 CA VAL A 75 5.174 -0.716 5.005 1.00 0.25 C ATOM 1086 C VAL A 75 4.175 -1.821 5.266 1.00 0.25 C ATOM 1087 O VAL A 75 3.278 -2.074 4.456 1.00 0.24 O ATOM 1088 CB VAL A 75 6.468 -1.339 4.438 1.00 0.30 C ATOM 1089 CG1 VAL A 75 6.437 -1.353 2.919 1.00 0.61 C ATOM 1090 CG2 VAL A 75 7.697 -0.609 4.943 1.00 0.68 C ATOM 0 H VAL A 75 6.247 -0.256 6.746 1.00 0.25 H new ATOM 0 HA VAL A 75 4.796 -0.007 4.269 1.00 0.25 H new ATOM 0 HB VAL A 75 6.524 -2.369 4.790 1.00 0.30 H new ATOM 0 HG11 VAL A 75 7.358 -1.796 2.540 1.00 0.61 H new ATOM 0 HG12 VAL A 75 5.585 -1.941 2.578 1.00 0.61 H new ATOM 0 HG13 VAL A 75 6.346 -0.332 2.548 1.00 0.61 H new ATOM 0 HG21 VAL A 75 8.592 -1.071 4.526 1.00 0.68 H new ATOM 0 HG22 VAL A 75 7.652 0.436 4.636 1.00 0.68 H new ATOM 0 HG23 VAL A 75 7.733 -0.666 6.031 1.00 0.68 H new ATOM 1100 N ARG A 76 4.340 -2.462 6.412 1.00 0.27 N ATOM 1101 CA ARG A 76 3.466 -3.538 6.830 1.00 0.29 C ATOM 1102 C ARG A 76 2.066 -3.006 7.112 1.00 0.25 C ATOM 1103 O ARG A 76 1.085 -3.741 7.021 1.00 0.27 O ATOM 1104 CB ARG A 76 4.052 -4.236 8.057 1.00 0.37 C ATOM 1105 CG ARG A 76 3.408 -5.586 8.386 1.00 0.55 C ATOM 1106 CD ARG A 76 2.597 -5.561 9.675 1.00 1.21 C ATOM 1107 NE ARG A 76 1.456 -4.657 9.584 1.00 1.75 N ATOM 1108 CZ ARG A 76 1.039 -3.887 10.588 1.00 2.39 C ATOM 1109 NH1 ARG A 76 1.716 -3.848 11.726 1.00 2.68 N ATOM 1110 NH2 ARG A 76 -0.036 -3.125 10.448 1.00 3.23 N ATOM 0 H ARG A 76 5.084 -2.249 7.076 1.00 0.27 H new ATOM 0 HA ARG A 76 3.387 -4.269 6.026 1.00 0.29 H new ATOM 0 HB2 ARG A 76 5.120 -4.386 7.899 1.00 0.37 H new ATOM 0 HB3 ARG A 76 3.947 -3.577 8.919 1.00 0.37 H new ATOM 0 HG2 ARG A 76 2.760 -5.884 7.562 1.00 0.55 H new ATOM 0 HG3 ARG A 76 4.187 -6.344 8.468 1.00 0.55 H new ATOM 0 HD2 ARG A 76 2.245 -6.567 9.902 1.00 1.21 H new ATOM 0 HD3 ARG A 76 3.238 -5.254 10.501 1.00 1.21 H new ATOM 0 HE ARG A 76 0.948 -4.612 8.701 1.00 1.75 H new ATOM 0 HH11 ARG A 76 2.561 -4.409 11.836 1.00 2.68 H new ATOM 0 HH12 ARG A 76 1.393 -3.257 12.492 1.00 2.68 H new ATOM 0 HH21 ARG A 76 -0.550 -3.125 9.567 1.00 3.23 H new ATOM 0 HH22 ARG A 76 -0.349 -2.538 11.221 1.00 3.23 H new ATOM 1124 N ALA A 77 1.976 -1.720 7.441 1.00 0.23 N ATOM 1125 CA ALA A 77 0.685 -1.071 7.655 1.00 0.24 C ATOM 1126 C ALA A 77 -0.176 -1.168 6.398 1.00 0.23 C ATOM 1127 O ALA A 77 -1.391 -1.325 6.480 1.00 0.29 O ATOM 1128 CB ALA A 77 0.874 0.385 8.068 1.00 0.25 C ATOM 0 H ALA A 77 2.781 -1.107 7.565 1.00 0.23 H new ATOM 0 HA ALA A 77 0.171 -1.589 8.465 1.00 0.24 H new ATOM 0 HB1 ALA A 77 -0.100 0.849 8.222 1.00 0.25 H new ATOM 0 HB2 ALA A 77 1.447 0.429 8.994 1.00 0.25 H new ATOM 0 HB3 ALA A 77 1.410 0.919 7.284 1.00 0.25 H new ATOM 1134 N LEU A 78 0.474 -1.112 5.240 1.00 0.19 N ATOM 1135 CA LEU A 78 -0.220 -1.248 3.965 1.00 0.18 C ATOM 1136 C LEU A 78 -0.666 -2.693 3.803 1.00 0.21 C ATOM 1137 O LEU A 78 -1.815 -2.979 3.491 1.00 0.26 O ATOM 1138 CB LEU A 78 0.729 -0.869 2.825 1.00 0.19 C ATOM 1139 CG LEU A 78 0.117 -0.087 1.665 1.00 0.25 C ATOM 1140 CD1 LEU A 78 1.228 0.514 0.832 1.00 0.64 C ATOM 1141 CD2 LEU A 78 -0.765 -0.960 0.788 1.00 0.52 C ATOM 0 H LEU A 78 1.481 -0.973 5.159 1.00 0.19 H new ATOM 0 HA LEU A 78 -1.088 -0.589 3.940 1.00 0.18 H new ATOM 0 HB2 LEU A 78 1.546 -0.279 3.242 1.00 0.19 H new ATOM 0 HB3 LEU A 78 1.168 -1.784 2.427 1.00 0.19 H new ATOM 0 HG LEU A 78 -0.514 0.697 2.084 1.00 0.25 H new ATOM 0 HD11 LEU A 78 0.798 1.074 0.002 1.00 0.64 H new ATOM 0 HD12 LEU A 78 1.825 1.184 1.451 1.00 0.64 H new ATOM 0 HD13 LEU A 78 1.862 -0.282 0.443 1.00 0.64 H new ATOM 0 HD21 LEU A 78 -1.178 -0.361 -0.023 1.00 0.52 H new ATOM 0 HD22 LEU A 78 -0.172 -1.775 0.372 1.00 0.52 H new ATOM 0 HD23 LEU A 78 -1.578 -1.372 1.385 1.00 0.52 H new ATOM 1153 N LYS A 79 0.284 -3.582 4.060 1.00 0.23 N ATOM 1154 CA LYS A 79 0.115 -5.033 3.937 1.00 0.29 C ATOM 1155 C LYS A 79 -1.083 -5.517 4.742 1.00 0.33 C ATOM 1156 O LYS A 79 -1.939 -6.228 4.228 1.00 0.35 O ATOM 1157 CB LYS A 79 1.393 -5.708 4.435 1.00 0.36 C ATOM 1158 CG LYS A 79 2.654 -5.011 3.939 1.00 0.40 C ATOM 1159 CD LYS A 79 2.904 -5.298 2.477 1.00 0.78 C ATOM 1160 CE LYS A 79 3.942 -4.355 1.893 1.00 1.42 C ATOM 1161 NZ LYS A 79 3.441 -2.958 1.812 1.00 2.40 N ATOM 0 H LYS A 79 1.218 -3.313 4.368 1.00 0.23 H new ATOM 0 HA LYS A 79 -0.068 -5.289 2.893 1.00 0.29 H new ATOM 0 HB2 LYS A 79 1.393 -5.719 5.525 1.00 0.36 H new ATOM 0 HB3 LYS A 79 1.403 -6.747 4.106 1.00 0.36 H new ATOM 0 HG2 LYS A 79 2.560 -3.936 4.089 1.00 0.40 H new ATOM 0 HG3 LYS A 79 3.510 -5.342 4.528 1.00 0.40 H new ATOM 0 HD2 LYS A 79 3.240 -6.328 2.360 1.00 0.78 H new ATOM 0 HD3 LYS A 79 1.971 -5.202 1.922 1.00 0.78 H new ATOM 0 HE2 LYS A 79 4.843 -4.382 2.506 1.00 1.42 H new ATOM 0 HE3 LYS A 79 4.224 -4.698 0.897 1.00 1.42 H new ATOM 0 HZ1 LYS A 79 4.080 -2.394 1.216 1.00 2.40 H new ATOM 0 HZ2 LYS A 79 2.487 -2.955 1.397 1.00 2.40 H new ATOM 0 HZ3 LYS A 79 3.405 -2.546 2.766 1.00 2.40 H new ATOM 1175 N ASP A 80 -1.133 -5.106 5.998 1.00 0.40 N ATOM 1176 CA ASP A 80 -2.224 -5.469 6.896 1.00 0.55 C ATOM 1177 C ASP A 80 -3.556 -4.993 6.340 1.00 0.51 C ATOM 1178 O ASP A 80 -4.533 -5.745 6.293 1.00 0.58 O ATOM 1179 CB ASP A 80 -1.973 -4.849 8.270 1.00 0.74 C ATOM 1180 CG ASP A 80 -3.018 -5.237 9.294 1.00 1.23 C ATOM 1181 OD1 ASP A 80 -4.057 -4.553 9.377 1.00 1.66 O ATOM 1182 OD2 ASP A 80 -2.779 -6.208 10.043 1.00 1.58 O ATOM 0 H ASP A 80 -0.422 -4.513 6.426 1.00 0.40 H new ATOM 0 HA ASP A 80 -2.264 -6.554 6.988 1.00 0.55 H new ATOM 0 HB2 ASP A 80 -0.990 -5.157 8.627 1.00 0.74 H new ATOM 0 HB3 ASP A 80 -1.952 -3.763 8.174 1.00 0.74 H new ATOM 1187 N PHE A 81 -3.557 -3.755 5.870 1.00 0.46 N ATOM 1188 CA PHE A 81 -4.763 -3.104 5.378 1.00 0.49 C ATOM 1189 C PHE A 81 -5.320 -3.828 4.151 1.00 0.45 C ATOM 1190 O PHE A 81 -6.528 -3.826 3.910 1.00 0.52 O ATOM 1191 CB PHE A 81 -4.465 -1.640 5.035 1.00 0.50 C ATOM 1192 CG PHE A 81 -5.695 -0.799 4.872 1.00 0.60 C ATOM 1193 CD1 PHE A 81 -6.427 -0.413 5.980 1.00 0.84 C ATOM 1194 CD2 PHE A 81 -6.117 -0.392 3.619 1.00 0.57 C ATOM 1195 CE1 PHE A 81 -7.564 0.359 5.846 1.00 0.99 C ATOM 1196 CE2 PHE A 81 -7.255 0.382 3.477 1.00 0.73 C ATOM 1197 CZ PHE A 81 -7.978 0.759 4.592 1.00 0.91 C ATOM 0 H PHE A 81 -2.721 -3.172 5.819 1.00 0.46 H new ATOM 0 HA PHE A 81 -5.516 -3.144 6.165 1.00 0.49 H new ATOM 0 HB2 PHE A 81 -3.843 -1.211 5.821 1.00 0.50 H new ATOM 0 HB3 PHE A 81 -3.885 -1.603 4.113 1.00 0.50 H new ATOM 0 HD1 PHE A 81 -6.105 -0.720 6.964 1.00 0.84 H new ATOM 0 HD2 PHE A 81 -5.553 -0.681 2.744 1.00 0.57 H new ATOM 0 HE1 PHE A 81 -8.128 0.649 6.720 1.00 0.99 H new ATOM 0 HE2 PHE A 81 -7.578 0.692 2.494 1.00 0.73 H new ATOM 0 HZ PHE A 81 -8.865 1.365 4.483 1.00 0.91 H new ATOM 1207 N MET A 82 -4.428 -4.444 3.377 1.00 0.37 N ATOM 1208 CA MET A 82 -4.822 -5.191 2.183 1.00 0.38 C ATOM 1209 C MET A 82 -5.748 -6.344 2.550 1.00 0.58 C ATOM 1210 O MET A 82 -6.748 -6.586 1.875 1.00 0.69 O ATOM 1211 CB MET A 82 -3.592 -5.714 1.451 1.00 0.36 C ATOM 1212 CG MET A 82 -2.520 -4.657 1.259 1.00 0.51 C ATOM 1213 SD MET A 82 -1.173 -5.192 0.199 1.00 1.10 S ATOM 1214 CE MET A 82 -1.783 -4.630 -1.384 1.00 0.20 C ATOM 0 H MET A 82 -3.424 -4.440 3.556 1.00 0.37 H new ATOM 0 HA MET A 82 -5.361 -4.514 1.520 1.00 0.38 H new ATOM 0 HB2 MET A 82 -3.173 -6.551 2.009 1.00 0.36 H new ATOM 0 HB3 MET A 82 -3.893 -6.099 0.477 1.00 0.36 H new ATOM 0 HG2 MET A 82 -2.974 -3.762 0.833 1.00 0.51 H new ATOM 0 HG3 MET A 82 -2.117 -4.377 2.233 1.00 0.51 H new ATOM 0 HE1 MET A 82 -1.546 -5.370 -2.149 1.00 0.20 H new ATOM 0 HE2 MET A 82 -2.863 -4.496 -1.331 1.00 0.20 H new ATOM 0 HE3 MET A 82 -1.312 -3.681 -1.639 1.00 0.20 H new ATOM 1224 N LEU A 83 -5.422 -7.048 3.626 1.00 0.69 N ATOM 1225 CA LEU A 83 -6.251 -8.147 4.097 1.00 0.92 C ATOM 1226 C LEU A 83 -7.419 -7.629 4.927 1.00 1.02 C ATOM 1227 O LEU A 83 -8.556 -8.066 4.754 1.00 1.18 O ATOM 1228 CB LEU A 83 -5.433 -9.152 4.931 1.00 1.04 C ATOM 1229 CG LEU A 83 -4.350 -9.953 4.184 1.00 1.06 C ATOM 1230 CD1 LEU A 83 -3.169 -9.071 3.824 1.00 0.87 C ATOM 1231 CD2 LEU A 83 -3.879 -11.144 5.018 1.00 1.30 C ATOM 0 H LEU A 83 -4.589 -6.877 4.189 1.00 0.69 H new ATOM 0 HA LEU A 83 -6.637 -8.659 3.216 1.00 0.92 H new ATOM 0 HB2 LEU A 83 -4.953 -8.608 5.744 1.00 1.04 H new ATOM 0 HB3 LEU A 83 -6.126 -9.860 5.386 1.00 1.04 H new ATOM 0 HG LEU A 83 -4.795 -10.327 3.262 1.00 1.06 H new ATOM 0 HD11 LEU A 83 -2.420 -9.663 3.298 1.00 0.87 H new ATOM 0 HD12 LEU A 83 -3.505 -8.257 3.182 1.00 0.87 H new ATOM 0 HD13 LEU A 83 -2.732 -8.659 4.734 1.00 0.87 H new ATOM 0 HD21 LEU A 83 -3.115 -11.693 4.469 1.00 1.30 H new ATOM 0 HD22 LEU A 83 -3.463 -10.787 5.960 1.00 1.30 H new ATOM 0 HD23 LEU A 83 -4.723 -11.803 5.221 1.00 1.30 H new ATOM 1243 N GLY A 84 -7.146 -6.694 5.818 1.00 1.01 N ATOM 1244 CA GLY A 84 -8.186 -6.195 6.684 1.00 1.21 C ATOM 1245 C GLY A 84 -7.989 -4.741 7.060 1.00 1.69 C ATOM 1246 O GLY A 84 -6.864 -4.272 7.174 1.00 2.42 O ATOM 0 H GLY A 84 -6.227 -6.273 5.957 1.00 1.01 H new ATOM 0 HA2 GLY A 84 -9.151 -6.310 6.190 1.00 1.21 H new ATOM 0 HA3 GLY A 84 -8.218 -6.799 7.591 1.00 1.21 H new ATOM 1250 N SER A 85 -9.090 -4.033 7.270 1.00 2.15 N ATOM 1251 CA SER A 85 -9.057 -2.631 7.679 1.00 3.14 C ATOM 1252 C SER A 85 -8.761 -2.524 9.182 1.00 3.47 C ATOM 1253 O SER A 85 -9.395 -1.751 9.908 1.00 4.25 O ATOM 1254 CB SER A 85 -10.406 -1.991 7.359 1.00 3.98 C ATOM 1255 OG SER A 85 -10.385 -0.593 7.574 1.00 4.47 O ATOM 0 H SER A 85 -10.031 -4.411 7.163 1.00 2.15 H new ATOM 0 HA SER A 85 -8.268 -2.110 7.138 1.00 3.14 H new ATOM 0 HB2 SER A 85 -10.669 -2.196 6.321 1.00 3.98 H new ATOM 0 HB3 SER A 85 -11.180 -2.443 7.979 1.00 3.98 H new ATOM 0 HG SER A 85 -10.143 -0.409 8.506 1.00 4.47 H new ATOM 1261 N GLY A 86 -7.780 -3.289 9.636 1.00 3.24 N ATOM 1262 CA GLY A 86 -7.521 -3.389 11.052 1.00 3.96 C ATOM 1263 C GLY A 86 -8.270 -4.561 11.645 1.00 4.20 C ATOM 1264 O GLY A 86 -8.566 -4.586 12.838 1.00 4.59 O ATOM 0 H GLY A 86 -7.159 -3.842 9.046 1.00 3.24 H new ATOM 0 HA2 GLY A 86 -6.451 -3.508 11.225 1.00 3.96 H new ATOM 0 HA3 GLY A 86 -7.823 -2.467 11.549 1.00 3.96 H new ATOM 1268 N ASP A 87 -8.584 -5.535 10.793 1.00 4.46 N ATOM 1269 CA ASP A 87 -9.386 -6.685 11.193 1.00 5.16 C ATOM 1270 C ASP A 87 -8.503 -7.738 11.849 1.00 5.94 C ATOM 1271 O ASP A 87 -8.175 -8.764 11.252 1.00 6.41 O ATOM 1272 CB ASP A 87 -10.119 -7.276 9.983 1.00 5.58 C ATOM 1273 CG ASP A 87 -11.103 -8.366 10.367 1.00 6.09 C ATOM 1274 OD1 ASP A 87 -12.141 -8.047 10.978 1.00 6.28 O ATOM 1275 OD2 ASP A 87 -10.851 -9.545 10.045 1.00 6.61 O ATOM 0 H ASP A 87 -8.292 -5.548 9.816 1.00 4.46 H new ATOM 0 HA ASP A 87 -10.131 -6.355 11.917 1.00 5.16 H new ATOM 0 HB2 ASP A 87 -10.651 -6.480 9.462 1.00 5.58 H new ATOM 0 HB3 ASP A 87 -9.388 -7.682 9.284 1.00 5.58 H new ATOM 1280 N ALA A 88 -8.086 -7.447 13.068 1.00 6.41 N ATOM 1281 CA ALA A 88 -7.229 -8.336 13.825 1.00 7.43 C ATOM 1282 C ALA A 88 -7.462 -8.138 15.314 1.00 7.93 C ATOM 1283 O ALA A 88 -7.364 -7.020 15.824 1.00 8.47 O ATOM 1284 CB ALA A 88 -5.762 -8.101 13.476 1.00 8.00 C ATOM 0 H ALA A 88 -8.333 -6.588 13.559 1.00 6.41 H new ATOM 0 HA ALA A 88 -7.477 -9.365 13.564 1.00 7.43 H new ATOM 0 HB1 ALA A 88 -5.137 -8.780 14.056 1.00 8.00 H new ATOM 0 HB2 ALA A 88 -5.607 -8.285 12.413 1.00 8.00 H new ATOM 0 HB3 ALA A 88 -5.493 -7.071 13.709 1.00 8.00 H new ATOM 1290 N GLY A 89 -7.800 -9.214 15.998 1.00 8.03 N ATOM 1291 CA GLY A 89 -8.012 -9.152 17.426 1.00 8.78 C ATOM 1292 C GLY A 89 -8.613 -10.434 17.950 1.00 9.30 C ATOM 1293 O GLY A 89 -9.363 -11.093 17.196 1.00 9.50 O ATOM 1294 OXT GLY A 89 -8.334 -10.801 19.105 1.00 9.73 O ATOM 0 H GLY A 89 -7.933 -10.138 15.587 1.00 8.03 H new ATOM 0 HA2 GLY A 89 -7.064 -8.961 17.928 1.00 8.78 H new ATOM 0 HA3 GLY A 89 -8.671 -8.316 17.662 1.00 8.78 H new TER 1298 GLY A 89 HETATM 1299 O23 PNS A 90 -0.909 16.699 -1.865 1.00 1.52 O HETATM 1300 P24 PNS A 90 -1.955 15.731 -1.450 1.00 1.19 P HETATM 1301 O26 PNS A 90 -2.881 16.120 -0.354 1.00 1.74 O HETATM 1302 O27 PNS A 90 -2.821 15.364 -2.731 1.00 1.06 O HETATM 1303 C28 PNS A 90 -2.115 14.946 -3.942 1.00 0.87 C HETATM 1304 C29 PNS A 90 -3.070 14.907 -5.134 1.00 0.98 C HETATM 1305 C30 PNS A 90 -2.260 14.589 -6.374 1.00 1.67 C HETATM 1306 C31 PNS A 90 -4.121 13.826 -4.922 1.00 1.74 C HETATM 1307 C32 PNS A 90 -3.796 16.274 -5.279 1.00 1.57 C HETATM 1308 O33 PNS A 90 -4.749 16.428 -4.218 1.00 2.32 O HETATM 1309 C34 PNS A 90 -2.804 17.435 -5.217 1.00 2.09 C HETATM 1310 O35 PNS A 90 -1.823 17.508 -5.965 1.00 2.76 O HETATM 1311 N36 PNS A 90 -3.095 18.350 -4.310 1.00 2.50 N HETATM 1312 C37 PNS A 90 -2.299 19.549 -4.077 1.00 3.36 C HETATM 1313 C38 PNS A 90 -2.652 20.224 -2.764 1.00 3.97 C HETATM 1314 C39 PNS A 90 -1.880 21.512 -2.543 1.00 4.60 C HETATM 1315 O40 PNS A 90 -1.072 21.934 -3.376 1.00 4.92 O HETATM 1316 N41 PNS A 90 -2.158 22.139 -1.409 1.00 5.23 N HETATM 1317 C42 PNS A 90 -1.531 23.394 -1.002 1.00 6.22 C HETATM 1318 C43 PNS A 90 -2.394 24.156 -0.009 1.00 7.02 C HETATM 1319 S44 PNS A 90 -2.759 23.240 1.507 1.00 7.55 S HETATM 0 H432 PNS A 90 -1.891 25.087 0.254 1.00 7.02 H new HETATM 0 H431 PNS A 90 -3.333 24.426 -0.492 1.00 7.02 H new HETATM 0 H422 PNS A 90 -1.353 24.014 -1.881 1.00 6.22 H new HETATM 0 H421 PNS A 90 -0.558 23.187 -0.556 1.00 6.22 H new HETATM 0 H382 PNS A 90 -2.450 19.538 -1.941 1.00 3.97 H new HETATM 0 H381 PNS A 90 -3.721 20.438 -2.746 1.00 3.97 H new HETATM 0 H372 PNS A 90 -2.453 20.250 -4.897 1.00 3.36 H new HETATM 0 H371 PNS A 90 -1.241 19.286 -4.076 1.00 3.36 H new HETATM 0 H313 PNS A 90 -4.798 13.804 -5.776 1.00 1.74 H new HETATM 0 H312 PNS A 90 -4.687 14.041 -4.016 1.00 1.74 H new HETATM 0 H311 PNS A 90 -3.632 12.857 -4.822 1.00 1.74 H new HETATM 0 H303 PNS A 90 -2.920 14.555 -7.241 1.00 1.67 H new HETATM 0 H302 PNS A 90 -1.772 13.622 -6.252 1.00 1.67 H new HETATM 0 H301 PNS A 90 -1.504 15.360 -6.523 1.00 1.67 H new HETATM 0 H282 PNS A 90 -1.673 13.961 -3.790 1.00 0.87 H new HETATM 0 H281 PNS A 90 -1.296 15.635 -4.148 1.00 0.87 H new HETATM 0 H44 PNS A 90 -3.496 23.971 2.289 1.00 7.55 H new HETATM 0 H41 PNS A 90 -2.849 21.722 -0.785 1.00 5.23 H new HETATM 0 H36 PNS A 90 -3.927 18.209 -3.738 1.00 2.50 H new HETATM 0 H33 PNS A 90 -4.350 16.130 -3.374 1.00 2.32 H new HETATM 0 H32 PNS A 90 -4.297 16.288 -6.247 1.00 1.57 H new