USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 694 hydrogens (29 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 15 ASN : amide:sc= 2 K(o=3.3,f=-5.2!) USER MOD Set 1.2: A 67 TYR OH : rot -168:sc= 1.33 USER MOD Set 2.1: A 56 MET CE :methyl -133:sc= -0.655 (180deg=-2.02!) USER MOD Set 2.2: A 75 TYR OH : rot -140:sc= -0.137 USER MOD Set 3.1: A 43 SER OG : rot -142:sc= 0.918 USER MOD Set 3.2: A 47 GLN : amide:sc= 0.818 K(o=1.7,f=-2.7) USER MOD Set 4.1: A 35 THR OG1 : rot 75:sc= 0.551 USER MOD Set 4.2: A 38 GLN : amide:sc= 0.409 K(o=0.96,f=-2.9) USER MOD Single : A 17 HIS : no HD1:sc= -0.0845 X(o=-0.085,f=-0.0028) USER MOD Single : A 21 TYR OH : rot 151:sc= -0.0577 USER MOD Single : A 22 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.62) USER MOD Single : A 23 GLN : amide:sc= 0.242 X(o=0.24,f=-0.077) USER MOD Single : A 30 GLN : amide:sc= 0.754 K(o=0.75,f=-0.96) USER MOD Single : A 33 ASN : amide:sc= -0.0582 X(o=-0.058,f=-0.011) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 40 HIS : no HD1:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 44 ASN : amide:sc= -1.82 K(o=-1.8,f=-1.2) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 1.88 (180deg=0.819) USER MOD Single : A 65 ASN : amide:sc= 0.322 K(o=0.32,f=-2.2!) USER MOD Single : A 70 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.405 USER MOD Single : A 84 ASN : amide:sc= -0.525 K(o=-0.52,f=-2.1) USER MOD Single : A 85 GLN : amide:sc= 1.12 K(o=1.1,f=-0.028) USER MOD Single : A 87 MET CE :methyl 174:sc= -0.0919 (180deg=-0.106) USER MOD Single : A 89 SER OG : rot 95:sc= 1.2 USER MOD Single : A 91 SER OG : rot -9:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 8.823 7.934 3.319 1.00 4.45 N ATOM 2 CA ASP A 14 7.696 7.154 2.796 1.00 23.11 C ATOM 3 C ASP A 14 7.746 7.235 1.279 1.00 51.03 C ATOM 4 O ASP A 14 8.286 8.212 0.759 1.00 35.51 O ATOM 5 CB ASP A 14 6.380 7.699 3.355 1.00 10.21 C ATOM 6 CG ASP A 14 5.187 6.899 2.916 1.00 72.02 C ATOM 7 OD1 ASP A 14 5.345 5.715 2.558 1.00 24.42 O ATOM 8 OD2 ASP A 14 4.077 7.434 2.914 1.00 44.11 O ATOM 0 HA ASP A 14 7.761 6.110 3.102 1.00 23.11 H new ATOM 0 HB2 ASP A 14 6.427 7.705 4.444 1.00 10.21 H new ATOM 0 HB3 ASP A 14 6.256 8.734 3.036 1.00 10.21 H new ATOM 13 N ASN A 15 7.216 6.229 0.572 1.00 42.52 N ATOM 14 CA ASN A 15 7.322 6.170 -0.901 1.00 15.43 C ATOM 15 C ASN A 15 6.435 5.070 -1.513 1.00 65.23 C ATOM 16 O ASN A 15 6.409 3.943 -1.039 1.00 2.32 O ATOM 17 CB ASN A 15 8.782 5.937 -1.305 1.00 62.11 C ATOM 18 CG ASN A 15 8.976 5.726 -2.787 1.00 60.54 C ATOM 19 OD1 ASN A 15 8.256 6.277 -3.618 1.00 72.43 O ATOM 20 ND2 ASN A 15 9.911 4.899 -3.114 1.00 33.41 N ATOM 0 H ASN A 15 6.711 5.446 0.988 1.00 42.52 H new ATOM 0 HA ASN A 15 6.969 7.126 -1.289 1.00 15.43 H new ATOM 0 HB2 ASN A 15 9.378 6.793 -0.988 1.00 62.11 H new ATOM 0 HB3 ASN A 15 9.163 5.067 -0.770 1.00 62.11 H new ATOM 0 HD21 ASN A 15 10.077 4.679 -4.096 1.00 33.41 H new ATOM 0 HD22 ASN A 15 10.484 4.465 -2.390 1.00 33.41 H new ATOM 27 N ARG A 16 5.682 5.440 -2.546 1.00 44.13 N ATOM 28 CA ARG A 16 4.798 4.518 -3.286 1.00 20.12 C ATOM 29 C ARG A 16 5.514 3.789 -4.441 1.00 12.33 C ATOM 30 O ARG A 16 5.030 2.776 -4.925 1.00 63.23 O ATOM 31 CB ARG A 16 3.579 5.271 -3.833 1.00 33.11 C ATOM 32 CG ARG A 16 2.795 6.009 -2.769 1.00 61.31 C ATOM 33 CD ARG A 16 2.196 5.059 -1.739 1.00 32.52 C ATOM 34 NE ARG A 16 1.699 5.803 -0.588 1.00 0.10 N ATOM 35 CZ ARG A 16 2.416 5.981 0.534 1.00 71.33 C ATOM 36 NH1 ARG A 16 3.519 5.264 0.740 1.00 41.43 N ATOM 37 NH2 ARG A 16 2.005 6.825 1.465 1.00 13.51 N ATOM 0 H ARG A 16 5.662 6.395 -2.903 1.00 44.13 H new ATOM 0 HA ARG A 16 4.481 3.758 -2.572 1.00 20.12 H new ATOM 0 HB2 ARG A 16 3.911 5.984 -4.588 1.00 33.11 H new ATOM 0 HB3 ARG A 16 2.919 4.562 -4.333 1.00 33.11 H new ATOM 0 HG2 ARG A 16 3.448 6.723 -2.267 1.00 61.31 H new ATOM 0 HG3 ARG A 16 1.997 6.583 -3.240 1.00 61.31 H new ATOM 0 HD2 ARG A 16 1.383 4.489 -2.190 1.00 32.52 H new ATOM 0 HD3 ARG A 16 2.949 4.340 -1.417 1.00 32.52 H new ATOM 0 HE ARG A 16 0.764 6.207 -0.637 1.00 0.10 H new ATOM 0 HH11 ARG A 16 3.819 4.580 0.046 1.00 41.43 H new ATOM 0 HH12 ARG A 16 4.063 5.399 1.592 1.00 41.43 H new ATOM 0 HH21 ARG A 16 1.138 7.346 1.334 1.00 13.51 H new ATOM 0 HH22 ARG A 16 2.555 6.955 2.314 1.00 13.51 H new ATOM 51 N HIS A 17 6.671 4.298 -4.849 1.00 1.22 N ATOM 52 CA HIS A 17 7.367 3.847 -6.035 1.00 12.30 C ATOM 53 C HIS A 17 8.034 2.520 -5.788 1.00 32.52 C ATOM 54 O HIS A 17 8.376 1.841 -6.711 1.00 50.05 O ATOM 55 CB HIS A 17 8.341 4.914 -6.570 1.00 11.15 C ATOM 56 CG HIS A 17 8.771 4.706 -8.007 1.00 62.22 C ATOM 57 ND1 HIS A 17 9.937 5.199 -8.540 1.00 3.43 N ATOM 58 CD2 HIS A 17 8.111 4.115 -9.043 1.00 32.23 C ATOM 59 CE1 HIS A 17 9.944 4.913 -9.846 1.00 52.34 C ATOM 60 NE2 HIS A 17 8.856 4.259 -10.202 1.00 71.02 N ATOM 0 H HIS A 17 7.154 5.047 -4.353 1.00 1.22 H new ATOM 0 HA HIS A 17 6.630 3.695 -6.824 1.00 12.30 H new ATOM 0 HB2 HIS A 17 7.871 5.894 -6.483 1.00 11.15 H new ATOM 0 HB3 HIS A 17 9.228 4.928 -5.937 1.00 11.15 H new ATOM 0 HD2 HIS A 17 7.157 3.613 -8.971 1.00 32.23 H new ATOM 0 HE1 HIS A 17 10.740 5.184 -10.524 1.00 52.34 H new ATOM 0 HE2 HIS A 17 8.613 3.928 -11.136 1.00 71.02 H new ATOM 68 N ALA A 18 8.193 2.163 -4.486 1.00 45.44 N ATOM 69 CA ALA A 18 8.778 0.870 -4.019 1.00 60.10 C ATOM 70 C ALA A 18 8.243 -0.351 -4.753 1.00 31.51 C ATOM 71 O ALA A 18 8.776 -1.431 -4.619 1.00 73.43 O ATOM 72 CB ALA A 18 8.659 0.699 -2.530 1.00 32.03 C ATOM 0 H ALA A 18 7.915 2.772 -3.717 1.00 45.44 H new ATOM 0 HA ALA A 18 9.837 0.935 -4.271 1.00 60.10 H new ATOM 0 HB1 ALA A 18 9.098 -0.255 -2.237 1.00 32.03 H new ATOM 0 HB2 ALA A 18 9.186 1.510 -2.027 1.00 32.03 H new ATOM 0 HB3 ALA A 18 7.607 0.718 -2.245 1.00 32.03 H new ATOM 78 N ALA A 19 7.151 -0.184 -5.482 1.00 24.32 N ATOM 79 CA ALA A 19 6.691 -1.172 -6.433 1.00 43.33 C ATOM 80 C ALA A 19 7.856 -1.559 -7.400 1.00 13.35 C ATOM 81 O ALA A 19 7.799 -2.621 -8.038 1.00 52.35 O ATOM 82 CB ALA A 19 5.505 -0.632 -7.219 1.00 24.12 C ATOM 0 H ALA A 19 6.560 0.645 -5.427 1.00 24.32 H new ATOM 0 HA ALA A 19 6.370 -2.064 -5.894 1.00 43.33 H new ATOM 0 HB1 ALA A 19 5.168 -1.385 -7.932 1.00 24.12 H new ATOM 0 HB2 ALA A 19 4.693 -0.392 -6.533 1.00 24.12 H new ATOM 0 HB3 ALA A 19 5.804 0.268 -7.756 1.00 24.12 H new ATOM 88 N ASP A 20 8.908 -0.667 -7.504 1.00 24.13 N ATOM 89 CA ASP A 20 10.182 -0.987 -8.236 1.00 11.43 C ATOM 90 C ASP A 20 10.666 -2.386 -7.823 1.00 40.12 C ATOM 91 O ASP A 20 11.051 -3.212 -8.652 1.00 41.43 O ATOM 92 CB ASP A 20 11.359 -0.033 -7.866 1.00 43.24 C ATOM 93 CG ASP A 20 11.268 1.404 -8.325 1.00 44.53 C ATOM 94 OD1 ASP A 20 11.499 1.674 -9.514 1.00 5.13 O ATOM 95 OD2 ASP A 20 11.071 2.281 -7.467 1.00 41.41 O ATOM 0 H ASP A 20 8.893 0.266 -7.093 1.00 24.13 H new ATOM 0 HA ASP A 20 9.945 -0.895 -9.296 1.00 11.43 H new ATOM 0 HB2 ASP A 20 11.462 -0.033 -6.781 1.00 43.24 H new ATOM 0 HB3 ASP A 20 12.276 -0.458 -8.274 1.00 43.24 H new ATOM 100 N TYR A 21 10.606 -2.630 -6.511 1.00 64.12 N ATOM 101 CA TYR A 21 11.018 -3.874 -5.844 1.00 1.25 C ATOM 102 C TYR A 21 10.349 -5.076 -6.461 1.00 22.30 C ATOM 103 O TYR A 21 10.970 -6.117 -6.611 1.00 71.01 O ATOM 104 CB TYR A 21 10.625 -3.766 -4.376 1.00 12.34 C ATOM 105 CG TYR A 21 11.063 -4.895 -3.529 1.00 2.25 C ATOM 106 CD1 TYR A 21 12.395 -5.062 -3.239 1.00 63.41 C ATOM 107 CD2 TYR A 21 10.148 -5.788 -3.004 1.00 70.22 C ATOM 108 CE1 TYR A 21 12.813 -6.083 -2.454 1.00 34.55 C ATOM 109 CE2 TYR A 21 10.557 -6.822 -2.213 1.00 53.03 C ATOM 110 CZ TYR A 21 11.891 -6.966 -1.938 1.00 23.31 C ATOM 111 OH TYR A 21 12.306 -8.000 -1.156 1.00 63.44 O ATOM 0 H TYR A 21 10.253 -1.936 -5.852 1.00 64.12 H new ATOM 0 HA TYR A 21 12.094 -4.005 -5.954 1.00 1.25 H new ATOM 0 HB2 TYR A 21 11.041 -2.844 -3.971 1.00 12.34 H new ATOM 0 HB3 TYR A 21 9.540 -3.682 -4.311 1.00 12.34 H new ATOM 0 HD1 TYR A 21 13.119 -4.370 -3.643 1.00 63.41 H new ATOM 0 HD2 TYR A 21 9.097 -5.666 -3.222 1.00 70.22 H new ATOM 0 HE1 TYR A 21 13.863 -6.204 -2.234 1.00 34.55 H new ATOM 0 HE2 TYR A 21 9.837 -7.518 -1.809 1.00 53.03 H new ATOM 0 HH TYR A 21 11.600 -8.230 -0.517 1.00 63.44 H new ATOM 121 N GLN A 22 9.110 -4.923 -6.856 1.00 31.11 N ATOM 122 CA GLN A 22 8.368 -6.030 -7.452 1.00 13.50 C ATOM 123 C GLN A 22 8.938 -6.402 -8.816 1.00 24.32 C ATOM 124 O GLN A 22 9.089 -7.585 -9.135 1.00 10.23 O ATOM 125 CB GLN A 22 6.873 -5.724 -7.527 1.00 45.23 C ATOM 126 CG GLN A 22 6.225 -5.595 -6.158 1.00 33.20 C ATOM 127 CD GLN A 22 6.330 -6.880 -5.351 1.00 42.52 C ATOM 128 OE1 GLN A 22 7.287 -7.099 -4.625 1.00 54.32 O ATOM 129 NE2 GLN A 22 5.348 -7.735 -5.478 1.00 24.21 N ATOM 0 H GLN A 22 8.587 -4.051 -6.781 1.00 31.11 H new ATOM 0 HA GLN A 22 8.485 -6.897 -6.802 1.00 13.50 H new ATOM 0 HB2 GLN A 22 6.725 -4.798 -8.082 1.00 45.23 H new ATOM 0 HB3 GLN A 22 6.373 -6.515 -8.087 1.00 45.23 H new ATOM 0 HG2 GLN A 22 6.700 -4.782 -5.608 1.00 33.20 H new ATOM 0 HG3 GLN A 22 5.175 -5.328 -6.278 1.00 33.20 H new ATOM 0 HE21 GLN A 22 4.563 -7.522 -6.093 1.00 24.21 H new ATOM 0 HE22 GLN A 22 5.368 -8.615 -4.962 1.00 24.21 H new ATOM 138 N GLN A 23 9.314 -5.393 -9.581 1.00 45.04 N ATOM 139 CA GLN A 23 9.927 -5.604 -10.884 1.00 15.31 C ATOM 140 C GLN A 23 11.351 -6.143 -10.690 1.00 12.21 C ATOM 141 O GLN A 23 11.844 -6.971 -11.474 1.00 53.34 O ATOM 142 CB GLN A 23 9.940 -4.285 -11.683 1.00 50.31 C ATOM 143 CG GLN A 23 10.598 -4.380 -13.059 1.00 30.34 C ATOM 144 CD GLN A 23 9.913 -5.374 -13.978 1.00 35.32 C ATOM 145 OE1 GLN A 23 9.013 -5.025 -14.721 1.00 33.43 O ATOM 146 NE2 GLN A 23 10.330 -6.608 -13.907 1.00 23.34 N ATOM 0 H GLN A 23 9.205 -4.412 -9.322 1.00 45.04 H new ATOM 0 HA GLN A 23 9.348 -6.334 -11.450 1.00 15.31 H new ATOM 0 HB2 GLN A 23 8.913 -3.942 -11.809 1.00 50.31 H new ATOM 0 HB3 GLN A 23 10.460 -3.526 -11.098 1.00 50.31 H new ATOM 0 HG2 GLN A 23 10.591 -3.396 -13.528 1.00 30.34 H new ATOM 0 HG3 GLN A 23 11.642 -4.667 -12.937 1.00 30.34 H new ATOM 0 HE21 GLN A 23 11.087 -6.855 -13.270 1.00 23.34 H new ATOM 0 HE22 GLN A 23 9.899 -7.326 -14.489 1.00 23.34 H new ATOM 155 N LEU A 24 11.987 -5.668 -9.635 1.00 5.10 N ATOM 156 CA LEU A 24 13.318 -6.094 -9.236 1.00 64.03 C ATOM 157 C LEU A 24 13.261 -7.613 -8.930 1.00 32.02 C ATOM 158 O LEU A 24 14.036 -8.373 -9.485 1.00 52.53 O ATOM 159 CB LEU A 24 13.731 -5.252 -7.986 1.00 12.21 C ATOM 160 CG LEU A 24 15.225 -5.121 -7.613 1.00 23.04 C ATOM 161 CD1 LEU A 24 15.379 -4.161 -6.450 1.00 75.50 C ATOM 162 CD2 LEU A 24 15.836 -6.446 -7.239 1.00 63.31 C ATOM 0 H LEU A 24 11.586 -4.961 -9.019 1.00 5.10 H new ATOM 0 HA LEU A 24 14.062 -5.934 -10.017 1.00 64.03 H new ATOM 0 HB2 LEU A 24 13.341 -4.244 -8.128 1.00 12.21 H new ATOM 0 HB3 LEU A 24 13.215 -5.674 -7.124 1.00 12.21 H new ATOM 0 HG LEU A 24 15.747 -4.745 -8.493 1.00 23.04 H new ATOM 0 HD11 LEU A 24 16.434 -4.071 -6.190 1.00 75.50 H new ATOM 0 HD12 LEU A 24 14.990 -3.183 -6.732 1.00 75.50 H new ATOM 0 HD13 LEU A 24 14.824 -4.538 -5.591 1.00 75.50 H new ATOM 0 HD21 LEU A 24 16.886 -6.304 -6.985 1.00 63.31 H new ATOM 0 HD22 LEU A 24 15.308 -6.861 -6.380 1.00 63.31 H new ATOM 0 HD23 LEU A 24 15.756 -7.134 -8.081 1.00 63.31 H new ATOM 174 N ARG A 25 12.282 -8.035 -8.091 1.00 41.40 N ATOM 175 CA ARG A 25 12.087 -9.470 -7.726 1.00 70.21 C ATOM 176 C ARG A 25 12.049 -10.332 -8.994 1.00 4.32 C ATOM 177 O ARG A 25 12.792 -11.300 -9.133 1.00 10.02 O ATOM 178 CB ARG A 25 10.723 -9.704 -7.003 1.00 22.23 C ATOM 179 CG ARG A 25 10.496 -8.983 -5.680 1.00 63.52 C ATOM 180 CD ARG A 25 11.420 -9.464 -4.582 1.00 62.51 C ATOM 181 NE ARG A 25 11.204 -10.875 -4.206 1.00 73.41 N ATOM 182 CZ ARG A 25 11.266 -11.358 -2.932 1.00 42.12 C ATOM 183 NH1 ARG A 25 11.458 -10.537 -1.900 1.00 4.41 N ATOM 184 NH2 ARG A 25 11.132 -12.663 -2.701 1.00 43.13 N ATOM 0 H ARG A 25 11.612 -7.404 -7.651 1.00 41.40 H new ATOM 0 HA ARG A 25 12.915 -9.739 -7.070 1.00 70.21 H new ATOM 0 HB2 ARG A 25 9.926 -9.412 -7.686 1.00 22.23 H new ATOM 0 HB3 ARG A 25 10.615 -10.774 -6.826 1.00 22.23 H new ATOM 0 HG2 ARG A 25 10.640 -7.912 -5.826 1.00 63.52 H new ATOM 0 HG3 ARG A 25 9.462 -9.126 -5.367 1.00 63.52 H new ATOM 0 HD2 ARG A 25 12.453 -9.337 -4.906 1.00 62.51 H new ATOM 0 HD3 ARG A 25 11.282 -8.837 -3.701 1.00 62.51 H new ATOM 0 HE ARG A 25 10.993 -11.537 -4.953 1.00 73.41 H new ATOM 0 HH11 ARG A 25 11.561 -9.535 -2.058 1.00 4.41 H new ATOM 0 HH12 ARG A 25 11.502 -10.911 -0.952 1.00 4.41 H new ATOM 0 HH21 ARG A 25 10.982 -13.306 -3.479 1.00 43.13 H new ATOM 0 HH22 ARG A 25 11.179 -13.019 -1.746 1.00 43.13 H new ATOM 198 N GLU A 26 11.177 -9.925 -9.902 1.00 22.04 N ATOM 199 CA GLU A 26 10.899 -10.596 -11.140 1.00 53.15 C ATOM 200 C GLU A 26 12.165 -10.776 -12.005 1.00 62.14 C ATOM 201 O GLU A 26 12.487 -11.894 -12.410 1.00 62.33 O ATOM 202 CB GLU A 26 9.822 -9.773 -11.837 1.00 43.14 C ATOM 203 CG GLU A 26 9.188 -10.412 -13.039 1.00 64.11 C ATOM 204 CD GLU A 26 10.038 -10.348 -14.271 1.00 34.13 C ATOM 205 OE1 GLU A 26 10.485 -9.253 -14.635 1.00 54.52 O ATOM 206 OE2 GLU A 26 10.288 -11.379 -14.890 1.00 14.04 O ATOM 0 H GLU A 26 10.623 -9.077 -9.780 1.00 22.04 H new ATOM 0 HA GLU A 26 10.548 -11.613 -10.963 1.00 53.15 H new ATOM 0 HB2 GLU A 26 9.039 -9.547 -11.113 1.00 43.14 H new ATOM 0 HB3 GLU A 26 10.258 -8.822 -12.142 1.00 43.14 H new ATOM 0 HG2 GLU A 26 8.969 -11.456 -12.812 1.00 64.11 H new ATOM 0 HG3 GLU A 26 8.235 -9.923 -13.240 1.00 64.11 H new ATOM 213 N ARG A 27 12.891 -9.688 -12.244 1.00 41.41 N ATOM 214 CA ARG A 27 14.086 -9.723 -13.083 1.00 11.24 C ATOM 215 C ARG A 27 15.153 -10.674 -12.599 1.00 35.13 C ATOM 216 O ARG A 27 15.761 -11.382 -13.401 1.00 21.33 O ATOM 217 CB ARG A 27 14.655 -8.363 -13.259 1.00 64.15 C ATOM 218 CG ARG A 27 13.840 -7.478 -14.174 1.00 43.11 C ATOM 219 CD ARG A 27 13.776 -7.972 -15.635 1.00 34.31 C ATOM 220 NE ARG A 27 12.795 -9.040 -15.864 1.00 21.31 N ATOM 221 CZ ARG A 27 12.758 -9.874 -16.909 1.00 33.13 C ATOM 222 NH1 ARG A 27 13.714 -9.836 -17.846 1.00 42.51 N ATOM 223 NH2 ARG A 27 11.776 -10.754 -17.002 1.00 22.34 N ATOM 0 H ARG A 27 12.672 -8.766 -11.867 1.00 41.41 H new ATOM 0 HA ARG A 27 13.749 -10.107 -14.046 1.00 11.24 H new ATOM 0 HB2 ARG A 27 14.737 -7.884 -12.283 1.00 64.15 H new ATOM 0 HB3 ARG A 27 15.666 -8.450 -13.658 1.00 64.15 H new ATOM 0 HG2 ARG A 27 12.826 -7.404 -13.782 1.00 43.11 H new ATOM 0 HG3 ARG A 27 14.261 -6.473 -14.160 1.00 43.11 H new ATOM 0 HD2 ARG A 27 13.536 -7.128 -16.282 1.00 34.31 H new ATOM 0 HD3 ARG A 27 14.762 -8.330 -15.930 1.00 34.31 H new ATOM 0 HE ARG A 27 12.070 -9.158 -15.156 1.00 21.31 H new ATOM 0 HH11 ARG A 27 14.480 -9.167 -17.767 1.00 42.51 H new ATOM 0 HH12 ARG A 27 13.677 -10.476 -18.639 1.00 42.51 H new ATOM 0 HH21 ARG A 27 11.056 -10.792 -16.281 1.00 22.34 H new ATOM 0 HH22 ARG A 27 11.739 -11.395 -17.795 1.00 22.34 H new ATOM 237 N LEU A 28 15.378 -10.707 -11.295 1.00 30.03 N ATOM 238 CA LEU A 28 16.354 -11.613 -10.720 1.00 24.34 C ATOM 239 C LEU A 28 15.963 -13.037 -10.936 1.00 54.22 C ATOM 240 O LEU A 28 16.788 -13.847 -11.208 1.00 10.12 O ATOM 241 CB LEU A 28 16.600 -11.350 -9.229 1.00 64.23 C ATOM 242 CG LEU A 28 17.516 -10.174 -8.889 1.00 22.51 C ATOM 243 CD1 LEU A 28 16.973 -8.890 -9.421 1.00 13.20 C ATOM 244 CD2 LEU A 28 17.762 -10.085 -7.397 1.00 34.33 C ATOM 0 H LEU A 28 14.897 -10.116 -10.617 1.00 30.03 H new ATOM 0 HA LEU A 28 17.292 -11.422 -11.242 1.00 24.34 H new ATOM 0 HB2 LEU A 28 15.636 -11.183 -8.748 1.00 64.23 H new ATOM 0 HB3 LEU A 28 17.024 -12.252 -8.788 1.00 64.23 H new ATOM 0 HG LEU A 28 18.475 -10.354 -9.375 1.00 22.51 H new ATOM 0 HD11 LEU A 28 17.648 -8.074 -9.162 1.00 13.20 H new ATOM 0 HD12 LEU A 28 16.882 -8.955 -10.505 1.00 13.20 H new ATOM 0 HD13 LEU A 28 15.992 -8.701 -8.985 1.00 13.20 H new ATOM 0 HD21 LEU A 28 18.417 -9.239 -7.186 1.00 34.33 H new ATOM 0 HD22 LEU A 28 16.813 -9.947 -6.879 1.00 34.33 H new ATOM 0 HD23 LEU A 28 18.234 -11.004 -7.051 1.00 34.33 H new ATOM 256 N ILE A 29 14.688 -13.309 -10.882 1.00 4.13 N ATOM 257 CA ILE A 29 14.161 -14.667 -11.049 1.00 21.53 C ATOM 258 C ILE A 29 14.537 -15.265 -12.385 1.00 50.11 C ATOM 259 O ILE A 29 14.801 -16.463 -12.493 1.00 3.14 O ATOM 260 CB ILE A 29 12.619 -14.691 -10.777 1.00 31.03 C ATOM 261 CG1 ILE A 29 12.350 -15.140 -9.371 1.00 1.24 C ATOM 262 CG2 ILE A 29 11.815 -15.520 -11.769 1.00 74.34 C ATOM 263 CD1 ILE A 29 13.110 -14.381 -8.341 1.00 52.40 C ATOM 0 H ILE A 29 13.969 -12.603 -10.721 1.00 4.13 H new ATOM 0 HA ILE A 29 14.631 -15.310 -10.305 1.00 21.53 H new ATOM 0 HB ILE A 29 12.276 -13.666 -10.915 1.00 31.03 H new ATOM 0 HG12 ILE A 29 11.284 -15.043 -9.167 1.00 1.24 H new ATOM 0 HG13 ILE A 29 12.596 -16.198 -9.284 1.00 1.24 H new ATOM 0 HG21 ILE A 29 10.758 -15.480 -11.504 1.00 74.34 H new ATOM 0 HG22 ILE A 29 11.953 -15.120 -12.773 1.00 74.34 H new ATOM 0 HG23 ILE A 29 12.157 -16.554 -11.740 1.00 74.34 H new ATOM 0 HD11 ILE A 29 12.862 -14.763 -7.351 1.00 52.40 H new ATOM 0 HD12 ILE A 29 14.179 -14.498 -8.518 1.00 52.40 H new ATOM 0 HD13 ILE A 29 12.846 -13.325 -8.399 1.00 52.40 H new ATOM 275 N GLN A 30 14.637 -14.417 -13.350 1.00 34.04 N ATOM 276 CA GLN A 30 14.990 -14.800 -14.680 1.00 0.10 C ATOM 277 C GLN A 30 16.456 -15.185 -14.732 1.00 52.40 C ATOM 278 O GLN A 30 16.834 -16.157 -15.364 1.00 13.34 O ATOM 279 CB GLN A 30 14.754 -13.624 -15.590 1.00 23.12 C ATOM 280 CG GLN A 30 13.355 -13.060 -15.487 1.00 32.40 C ATOM 281 CD GLN A 30 12.288 -14.043 -15.953 1.00 11.03 C ATOM 282 OE1 GLN A 30 12.541 -14.896 -16.794 1.00 14.24 O ATOM 283 NE2 GLN A 30 11.087 -13.868 -15.499 1.00 3.24 N ATOM 0 H GLN A 30 14.473 -13.417 -13.238 1.00 34.04 H new ATOM 0 HA GLN A 30 14.387 -15.652 -14.993 1.00 0.10 H new ATOM 0 HB2 GLN A 30 15.473 -12.840 -15.353 1.00 23.12 H new ATOM 0 HB3 GLN A 30 14.941 -13.927 -16.620 1.00 23.12 H new ATOM 0 HG2 GLN A 30 13.157 -12.778 -14.453 1.00 32.40 H new ATOM 0 HG3 GLN A 30 13.290 -12.150 -16.083 1.00 32.40 H new ATOM 0 HE21 GLN A 30 10.906 -13.149 -14.798 1.00 3.24 H new ATOM 0 HE22 GLN A 30 10.322 -14.449 -15.842 1.00 3.24 H new ATOM 292 N GLU A 31 17.271 -14.417 -14.041 1.00 34.30 N ATOM 293 CA GLU A 31 18.710 -14.639 -14.066 1.00 51.52 C ATOM 294 C GLU A 31 19.140 -15.690 -13.033 1.00 1.11 C ATOM 295 O GLU A 31 20.175 -16.331 -13.182 1.00 60.44 O ATOM 296 CB GLU A 31 19.463 -13.318 -13.861 1.00 44.43 C ATOM 297 CG GLU A 31 18.839 -12.173 -14.639 1.00 61.51 C ATOM 298 CD GLU A 31 19.756 -11.003 -14.876 1.00 0.10 C ATOM 299 OE1 GLU A 31 20.197 -10.338 -13.927 1.00 12.34 O ATOM 300 OE2 GLU A 31 20.075 -10.717 -16.049 1.00 73.20 O ATOM 0 H GLU A 31 16.969 -13.637 -13.457 1.00 34.30 H new ATOM 0 HA GLU A 31 18.969 -15.031 -15.049 1.00 51.52 H new ATOM 0 HB2 GLU A 31 19.474 -13.070 -12.800 1.00 44.43 H new ATOM 0 HB3 GLU A 31 20.501 -13.442 -14.171 1.00 44.43 H new ATOM 0 HG2 GLU A 31 18.496 -12.550 -15.603 1.00 61.51 H new ATOM 0 HG3 GLU A 31 17.957 -11.824 -14.101 1.00 61.51 H new ATOM 307 N LEU A 32 18.338 -15.858 -11.989 1.00 51.10 N ATOM 308 CA LEU A 32 18.624 -16.814 -10.950 1.00 13.23 C ATOM 309 C LEU A 32 18.075 -18.184 -11.310 1.00 55.31 C ATOM 310 O LEU A 32 18.503 -19.195 -10.755 1.00 40.51 O ATOM 311 CB LEU A 32 18.023 -16.347 -9.614 1.00 54.30 C ATOM 312 CG LEU A 32 18.492 -14.990 -9.108 1.00 11.20 C ATOM 313 CD1 LEU A 32 17.910 -14.677 -7.742 1.00 62.53 C ATOM 314 CD2 LEU A 32 20.010 -14.852 -9.118 1.00 34.20 C ATOM 0 H LEU A 32 17.475 -15.332 -11.847 1.00 51.10 H new ATOM 0 HA LEU A 32 19.707 -16.889 -10.848 1.00 13.23 H new ATOM 0 HB2 LEU A 32 16.938 -16.319 -9.717 1.00 54.30 H new ATOM 0 HB3 LEU A 32 18.252 -17.095 -8.855 1.00 54.30 H new ATOM 0 HG LEU A 32 18.112 -14.247 -9.809 1.00 11.20 H new ATOM 0 HD11 LEU A 32 18.265 -13.701 -7.410 1.00 62.53 H new ATOM 0 HD12 LEU A 32 16.822 -14.665 -7.804 1.00 62.53 H new ATOM 0 HD13 LEU A 32 18.225 -15.439 -7.029 1.00 62.53 H new ATOM 0 HD21 LEU A 32 20.288 -13.865 -8.747 1.00 34.20 H new ATOM 0 HD22 LEU A 32 20.449 -15.617 -8.478 1.00 34.20 H new ATOM 0 HD23 LEU A 32 20.380 -14.975 -10.136 1.00 34.20 H new ATOM 326 N ASN A 33 17.129 -18.185 -12.250 1.00 64.50 N ATOM 327 CA ASN A 33 16.440 -19.382 -12.748 1.00 40.21 C ATOM 328 C ASN A 33 15.759 -20.133 -11.588 1.00 0.52 C ATOM 329 O ASN A 33 16.138 -21.256 -11.218 1.00 24.11 O ATOM 330 CB ASN A 33 17.389 -20.306 -13.561 1.00 12.25 C ATOM 331 CG ASN A 33 16.680 -21.467 -14.275 1.00 60.13 C ATOM 332 OD1 ASN A 33 16.258 -21.347 -15.416 1.00 60.33 O ATOM 333 ND2 ASN A 33 16.545 -22.587 -13.611 1.00 75.23 N ATOM 0 H ASN A 33 16.809 -17.328 -12.701 1.00 64.50 H new ATOM 0 HA ASN A 33 15.664 -19.057 -13.441 1.00 40.21 H new ATOM 0 HB2 ASN A 33 17.915 -19.705 -14.303 1.00 12.25 H new ATOM 0 HB3 ASN A 33 18.144 -20.714 -12.889 1.00 12.25 H new ATOM 0 HD21 ASN A 33 16.079 -23.384 -14.045 1.00 75.23 H new ATOM 0 HD22 ASN A 33 16.906 -22.663 -12.660 1.00 75.23 H new ATOM 340 N LEU A 34 14.808 -19.463 -10.973 1.00 11.42 N ATOM 341 CA LEU A 34 14.058 -19.982 -9.867 1.00 63.34 C ATOM 342 C LEU A 34 12.762 -19.211 -9.716 1.00 13.22 C ATOM 343 O LEU A 34 12.497 -18.314 -10.502 1.00 52.24 O ATOM 344 CB LEU A 34 14.909 -19.998 -8.581 1.00 41.43 C ATOM 345 CG LEU A 34 15.740 -18.755 -8.234 1.00 4.03 C ATOM 346 CD1 LEU A 34 14.873 -17.578 -7.869 1.00 14.42 C ATOM 347 CD2 LEU A 34 16.706 -19.077 -7.121 1.00 74.00 C ATOM 0 H LEU A 34 14.534 -18.518 -11.241 1.00 11.42 H new ATOM 0 HA LEU A 34 13.793 -21.021 -10.063 1.00 63.34 H new ATOM 0 HB2 LEU A 34 14.239 -20.193 -7.743 1.00 41.43 H new ATOM 0 HB3 LEU A 34 15.592 -20.845 -8.647 1.00 41.43 H new ATOM 0 HG LEU A 34 16.302 -18.469 -9.123 1.00 4.03 H new ATOM 0 HD11 LEU A 34 15.504 -16.721 -7.631 1.00 14.42 H new ATOM 0 HD12 LEU A 34 14.225 -17.329 -8.709 1.00 14.42 H new ATOM 0 HD13 LEU A 34 14.262 -17.831 -7.002 1.00 14.42 H new ATOM 0 HD21 LEU A 34 17.292 -18.190 -6.880 1.00 74.00 H new ATOM 0 HD22 LEU A 34 16.151 -19.396 -6.239 1.00 74.00 H new ATOM 0 HD23 LEU A 34 17.374 -19.878 -7.439 1.00 74.00 H new ATOM 359 N THR A 35 11.967 -19.544 -8.739 1.00 2.42 N ATOM 360 CA THR A 35 10.718 -18.891 -8.537 1.00 1.44 C ATOM 361 C THR A 35 10.866 -17.759 -7.497 1.00 43.25 C ATOM 362 O THR A 35 11.752 -17.822 -6.651 1.00 3.31 O ATOM 363 CB THR A 35 9.668 -19.933 -8.142 1.00 34.21 C ATOM 364 OG1 THR A 35 10.302 -20.941 -7.350 1.00 53.12 O ATOM 365 CG2 THR A 35 9.047 -20.572 -9.376 1.00 52.44 C ATOM 0 H THR A 35 12.173 -20.279 -8.062 1.00 2.42 H new ATOM 0 HA THR A 35 10.382 -18.417 -9.459 1.00 1.44 H new ATOM 0 HB THR A 35 8.875 -19.445 -7.576 1.00 34.21 H new ATOM 0 HG1 THR A 35 10.479 -20.589 -6.453 1.00 53.12 H new ATOM 0 HG21 THR A 35 8.304 -21.309 -9.070 1.00 52.44 H new ATOM 0 HG22 THR A 35 8.567 -19.803 -9.981 1.00 52.44 H new ATOM 0 HG23 THR A 35 9.824 -21.063 -9.962 1.00 52.44 H new ATOM 373 N PRO A 36 9.994 -16.711 -7.550 1.00 74.43 N ATOM 374 CA PRO A 36 10.122 -15.474 -6.725 1.00 65.22 C ATOM 375 C PRO A 36 10.304 -15.664 -5.204 1.00 50.13 C ATOM 376 O PRO A 36 10.828 -14.777 -4.527 1.00 11.02 O ATOM 377 CB PRO A 36 8.820 -14.724 -7.008 1.00 63.12 C ATOM 378 CG PRO A 36 8.410 -15.183 -8.360 1.00 62.42 C ATOM 379 CD PRO A 36 8.818 -16.627 -8.448 1.00 23.53 C ATOM 0 HA PRO A 36 11.040 -14.957 -7.002 1.00 65.22 H new ATOM 0 HB2 PRO A 36 8.059 -14.956 -6.263 1.00 63.12 H new ATOM 0 HB3 PRO A 36 8.971 -13.645 -6.984 1.00 63.12 H new ATOM 0 HG2 PRO A 36 7.335 -15.072 -8.500 1.00 62.42 H new ATOM 0 HG3 PRO A 36 8.896 -14.592 -9.137 1.00 62.42 H new ATOM 0 HD2 PRO A 36 8.017 -17.291 -8.123 1.00 23.53 H new ATOM 0 HD3 PRO A 36 9.072 -16.911 -9.469 1.00 23.53 H new ATOM 387 N GLN A 37 9.853 -16.781 -4.686 1.00 33.23 N ATOM 388 CA GLN A 37 9.918 -17.067 -3.254 1.00 11.51 C ATOM 389 C GLN A 37 11.104 -17.966 -2.925 1.00 24.22 C ATOM 390 O GLN A 37 11.417 -18.191 -1.773 1.00 11.41 O ATOM 391 CB GLN A 37 8.629 -17.749 -2.791 1.00 74.21 C ATOM 392 CG GLN A 37 7.371 -16.906 -2.936 1.00 43.55 C ATOM 393 CD GLN A 37 6.119 -17.667 -2.533 1.00 73.12 C ATOM 394 OE1 GLN A 37 6.158 -18.552 -1.696 1.00 72.31 O ATOM 395 NE2 GLN A 37 5.000 -17.324 -3.122 1.00 33.31 N ATOM 0 H GLN A 37 9.428 -17.526 -5.238 1.00 33.23 H new ATOM 0 HA GLN A 37 10.041 -16.118 -2.733 1.00 11.51 H new ATOM 0 HB2 GLN A 37 8.499 -18.671 -3.358 1.00 74.21 H new ATOM 0 HB3 GLN A 37 8.741 -18.032 -1.744 1.00 74.21 H new ATOM 0 HG2 GLN A 37 7.463 -16.011 -2.321 1.00 43.55 H new ATOM 0 HG3 GLN A 37 7.275 -16.574 -3.970 1.00 43.55 H new ATOM 0 HE21 GLN A 37 4.998 -16.579 -3.819 1.00 33.31 H new ATOM 0 HE22 GLN A 37 4.131 -17.802 -2.884 1.00 33.31 H new ATOM 404 N GLN A 38 11.746 -18.494 -3.948 1.00 52.51 N ATOM 405 CA GLN A 38 12.799 -19.457 -3.760 1.00 3.22 C ATOM 406 C GLN A 38 14.174 -18.836 -3.877 1.00 32.23 C ATOM 407 O GLN A 38 15.166 -19.532 -4.068 1.00 75.25 O ATOM 408 CB GLN A 38 12.625 -20.647 -4.718 1.00 14.22 C ATOM 409 CG GLN A 38 11.560 -21.672 -4.279 1.00 3.12 C ATOM 410 CD GLN A 38 10.128 -21.133 -4.160 1.00 13.31 C ATOM 411 OE1 GLN A 38 9.709 -20.225 -4.888 1.00 64.53 O ATOM 412 NE2 GLN A 38 9.378 -21.673 -3.241 1.00 74.44 N ATOM 0 H GLN A 38 11.551 -18.267 -4.923 1.00 52.51 H new ATOM 0 HA GLN A 38 12.721 -19.832 -2.740 1.00 3.22 H new ATOM 0 HB2 GLN A 38 12.360 -20.267 -5.705 1.00 14.22 H new ATOM 0 HB3 GLN A 38 13.582 -21.158 -4.820 1.00 14.22 H new ATOM 0 HG2 GLN A 38 11.560 -22.497 -4.992 1.00 3.12 H new ATOM 0 HG3 GLN A 38 11.855 -22.084 -3.314 1.00 3.12 H new ATOM 0 HE21 GLN A 38 9.749 -22.420 -2.654 1.00 74.44 H new ATOM 0 HE22 GLN A 38 8.420 -21.348 -3.108 1.00 74.44 H new ATOM 421 N LEU A 39 14.237 -17.542 -3.732 1.00 43.34 N ATOM 422 CA LEU A 39 15.499 -16.874 -3.715 1.00 15.24 C ATOM 423 C LEU A 39 15.726 -16.470 -2.280 1.00 73.32 C ATOM 424 O LEU A 39 14.762 -16.211 -1.560 1.00 54.41 O ATOM 425 CB LEU A 39 15.520 -15.631 -4.688 1.00 44.34 C ATOM 426 CG LEU A 39 14.893 -14.281 -4.221 1.00 74.11 C ATOM 427 CD1 LEU A 39 15.831 -13.520 -3.284 1.00 44.40 C ATOM 428 CD2 LEU A 39 14.585 -13.399 -5.400 1.00 41.13 C ATOM 0 H LEU A 39 13.426 -16.932 -3.624 1.00 43.34 H new ATOM 0 HA LEU A 39 16.297 -17.525 -4.073 1.00 15.24 H new ATOM 0 HB2 LEU A 39 16.561 -15.436 -4.947 1.00 44.34 H new ATOM 0 HB3 LEU A 39 15.013 -15.926 -5.607 1.00 44.34 H new ATOM 0 HG LEU A 39 13.975 -14.529 -3.688 1.00 74.11 H new ATOM 0 HD11 LEU A 39 15.361 -12.585 -2.979 1.00 44.40 H new ATOM 0 HD12 LEU A 39 16.036 -14.127 -2.402 1.00 44.40 H new ATOM 0 HD13 LEU A 39 16.766 -13.304 -3.801 1.00 44.40 H new ATOM 0 HD21 LEU A 39 14.149 -12.463 -5.050 1.00 41.13 H new ATOM 0 HD22 LEU A 39 15.504 -13.189 -5.947 1.00 41.13 H new ATOM 0 HD23 LEU A 39 13.879 -13.905 -6.058 1.00 41.13 H new ATOM 440 N HIS A 40 16.947 -16.419 -1.853 1.00 61.13 N ATOM 441 CA HIS A 40 17.218 -15.984 -0.525 1.00 54.15 C ATOM 442 C HIS A 40 17.251 -14.485 -0.443 1.00 54.34 C ATOM 443 O HIS A 40 18.216 -13.846 -0.858 1.00 10.35 O ATOM 444 CB HIS A 40 18.486 -16.569 0.021 1.00 51.12 C ATOM 445 CG HIS A 40 18.359 -17.988 0.489 1.00 52.23 C ATOM 446 ND1 HIS A 40 17.926 -18.329 1.755 1.00 21.50 N ATOM 447 CD2 HIS A 40 18.626 -19.155 -0.144 1.00 33.12 C ATOM 448 CE1 HIS A 40 17.945 -19.654 1.854 1.00 43.31 C ATOM 449 NE2 HIS A 40 18.363 -20.213 0.726 1.00 3.31 N ATOM 0 H HIS A 40 17.768 -16.672 -2.403 1.00 61.13 H new ATOM 0 HA HIS A 40 16.400 -16.349 0.096 1.00 54.15 H new ATOM 0 HB2 HIS A 40 19.256 -16.520 -0.749 1.00 51.12 H new ATOM 0 HB3 HIS A 40 18.828 -15.953 0.853 1.00 51.12 H new ATOM 0 HD2 HIS A 40 18.985 -19.251 -1.158 1.00 33.12 H new ATOM 0 HE1 HIS A 40 17.658 -20.204 2.738 1.00 43.31 H new ATOM 0 HE2 HIS A 40 18.470 -21.209 0.535 1.00 3.31 H new ATOM 457 N GLU A 41 16.160 -13.927 0.005 1.00 52.21 N ATOM 458 CA GLU A 41 16.030 -12.500 0.152 1.00 74.35 C ATOM 459 C GLU A 41 16.595 -12.035 1.478 1.00 33.32 C ATOM 460 O GLU A 41 16.890 -10.841 1.661 1.00 34.40 O ATOM 461 CB GLU A 41 14.586 -12.071 -0.044 1.00 31.03 C ATOM 462 CG GLU A 41 13.581 -12.752 0.864 1.00 72.04 C ATOM 463 CD GLU A 41 12.189 -12.402 0.454 1.00 55.55 C ATOM 464 OE1 GLU A 41 11.779 -11.249 0.668 1.00 43.43 O ATOM 465 OE2 GLU A 41 11.517 -13.236 -0.177 1.00 12.43 O ATOM 0 H GLU A 41 15.330 -14.451 0.281 1.00 52.21 H new ATOM 0 HA GLU A 41 16.619 -12.015 -0.627 1.00 74.35 H new ATOM 0 HB2 GLU A 41 14.520 -10.994 0.110 1.00 31.03 H new ATOM 0 HB3 GLU A 41 14.304 -12.263 -1.079 1.00 31.03 H new ATOM 0 HG2 GLU A 41 13.718 -13.833 0.823 1.00 72.04 H new ATOM 0 HG3 GLU A 41 13.750 -12.448 1.897 1.00 72.04 H new ATOM 472 N GLU A 42 16.748 -12.982 2.378 1.00 14.11 N ATOM 473 CA GLU A 42 17.328 -12.775 3.679 1.00 73.54 C ATOM 474 C GLU A 42 18.811 -13.127 3.654 1.00 52.04 C ATOM 475 O GLU A 42 19.612 -12.551 4.397 1.00 51.01 O ATOM 476 CB GLU A 42 16.555 -13.546 4.800 1.00 10.34 C ATOM 477 CG GLU A 42 15.791 -14.825 4.366 1.00 64.40 C ATOM 478 CD GLU A 42 16.636 -15.851 3.643 1.00 50.52 C ATOM 479 OE1 GLU A 42 16.872 -15.661 2.448 1.00 13.53 O ATOM 480 OE2 GLU A 42 17.056 -16.837 4.237 1.00 10.34 O ATOM 0 H GLU A 42 16.461 -13.947 2.215 1.00 14.11 H new ATOM 0 HA GLU A 42 17.235 -11.718 3.927 1.00 73.54 H new ATOM 0 HB2 GLU A 42 17.268 -13.823 5.577 1.00 10.34 H new ATOM 0 HB3 GLU A 42 15.840 -12.860 5.254 1.00 10.34 H new ATOM 0 HG2 GLU A 42 15.357 -15.290 5.251 1.00 64.40 H new ATOM 0 HG3 GLU A 42 14.963 -14.535 3.719 1.00 64.40 H new ATOM 487 N SER A 43 19.172 -14.057 2.796 1.00 41.33 N ATOM 488 CA SER A 43 20.548 -14.399 2.614 1.00 42.44 C ATOM 489 C SER A 43 21.126 -13.500 1.548 1.00 53.51 C ATOM 490 O SER A 43 20.403 -12.750 0.878 1.00 42.45 O ATOM 491 CB SER A 43 20.744 -15.855 2.220 1.00 70.20 C ATOM 492 OG SER A 43 22.119 -16.242 2.356 1.00 13.53 O ATOM 0 H SER A 43 18.521 -14.586 2.216 1.00 41.33 H new ATOM 0 HA SER A 43 21.060 -14.260 3.566 1.00 42.44 H new ATOM 0 HB2 SER A 43 20.119 -16.492 2.846 1.00 70.20 H new ATOM 0 HB3 SER A 43 20.420 -16.004 1.190 1.00 70.20 H new ATOM 0 HG SER A 43 22.362 -16.850 1.626 1.00 13.53 H new ATOM 498 N ASN A 44 22.415 -13.544 1.404 1.00 52.43 N ATOM 499 CA ASN A 44 23.080 -12.689 0.464 1.00 3.32 C ATOM 500 C ASN A 44 22.858 -13.130 -0.955 1.00 44.20 C ATOM 501 O ASN A 44 23.055 -14.284 -1.300 1.00 1.44 O ATOM 502 CB ASN A 44 24.579 -12.527 0.749 1.00 1.44 C ATOM 503 CG ASN A 44 24.908 -11.650 1.957 1.00 62.41 C ATOM 504 OD1 ASN A 44 25.939 -11.006 1.983 1.00 71.14 O ATOM 505 ND2 ASN A 44 24.046 -11.608 2.946 1.00 21.43 N ATOM 0 H ASN A 44 23.032 -14.165 1.927 1.00 52.43 H new ATOM 0 HA ASN A 44 22.623 -11.708 0.593 1.00 3.32 H new ATOM 0 HB2 ASN A 44 25.014 -13.514 0.904 1.00 1.44 H new ATOM 0 HB3 ASN A 44 25.059 -12.102 -0.133 1.00 1.44 H new ATOM 0 HD21 ASN A 44 24.234 -11.025 3.762 1.00 21.43 H new ATOM 0 HD22 ASN A 44 23.188 -12.158 2.899 1.00 21.43 H new ATOM 512 N LEU A 45 22.482 -12.181 -1.778 1.00 12.12 N ATOM 513 CA LEU A 45 22.243 -12.399 -3.199 1.00 61.14 C ATOM 514 C LEU A 45 23.539 -12.751 -3.927 1.00 73.12 C ATOM 515 O LEU A 45 23.516 -13.273 -5.023 1.00 41.24 O ATOM 516 CB LEU A 45 21.614 -11.152 -3.828 1.00 25.05 C ATOM 517 CG LEU A 45 20.273 -10.698 -3.241 1.00 54.22 C ATOM 518 CD1 LEU A 45 19.808 -9.425 -3.913 1.00 63.14 C ATOM 519 CD2 LEU A 45 19.219 -11.786 -3.387 1.00 22.11 C ATOM 0 H LEU A 45 22.329 -11.217 -1.482 1.00 12.12 H new ATOM 0 HA LEU A 45 21.554 -13.238 -3.300 1.00 61.14 H new ATOM 0 HB2 LEU A 45 22.323 -10.329 -3.738 1.00 25.05 H new ATOM 0 HB3 LEU A 45 21.476 -11.339 -4.893 1.00 25.05 H new ATOM 0 HG LEU A 45 20.417 -10.503 -2.178 1.00 54.22 H new ATOM 0 HD11 LEU A 45 18.854 -9.115 -3.485 1.00 63.14 H new ATOM 0 HD12 LEU A 45 20.548 -8.640 -3.757 1.00 63.14 H new ATOM 0 HD13 LEU A 45 19.686 -9.601 -4.982 1.00 63.14 H new ATOM 0 HD21 LEU A 45 18.277 -11.439 -2.963 1.00 22.11 H new ATOM 0 HD22 LEU A 45 19.078 -12.017 -4.443 1.00 22.11 H new ATOM 0 HD23 LEU A 45 19.546 -12.682 -2.860 1.00 22.11 H new ATOM 531 N ILE A 46 24.666 -12.490 -3.273 1.00 51.20 N ATOM 532 CA ILE A 46 25.985 -12.784 -3.834 1.00 51.44 C ATOM 533 C ILE A 46 26.229 -14.309 -3.751 1.00 40.54 C ATOM 534 O ILE A 46 27.132 -14.845 -4.366 1.00 74.00 O ATOM 535 CB ILE A 46 27.126 -12.053 -3.041 1.00 45.24 C ATOM 536 CG1 ILE A 46 26.777 -10.585 -2.730 1.00 22.11 C ATOM 537 CG2 ILE A 46 28.433 -12.097 -3.822 1.00 23.42 C ATOM 538 CD1 ILE A 46 26.598 -9.692 -3.938 1.00 14.40 C ATOM 0 H ILE A 46 24.694 -12.071 -2.344 1.00 51.20 H new ATOM 0 HA ILE A 46 26.004 -12.434 -4.866 1.00 51.44 H new ATOM 0 HB ILE A 46 27.236 -12.584 -2.096 1.00 45.24 H new ATOM 0 HG12 ILE A 46 25.858 -10.564 -2.144 1.00 22.11 H new ATOM 0 HG13 ILE A 46 27.565 -10.167 -2.103 1.00 22.11 H new ATOM 0 HG21 ILE A 46 29.212 -11.585 -3.257 1.00 23.42 H new ATOM 0 HG22 ILE A 46 28.725 -13.135 -3.985 1.00 23.42 H new ATOM 0 HG23 ILE A 46 28.299 -11.603 -4.784 1.00 23.42 H new ATOM 0 HD11 ILE A 46 26.355 -8.681 -3.610 1.00 14.40 H new ATOM 0 HD12 ILE A 46 27.521 -9.674 -4.517 1.00 14.40 H new ATOM 0 HD13 ILE A 46 25.788 -10.077 -4.558 1.00 14.40 H new ATOM 550 N GLN A 47 25.397 -14.987 -2.967 1.00 22.43 N ATOM 551 CA GLN A 47 25.495 -16.410 -2.788 1.00 71.13 C ATOM 552 C GLN A 47 24.681 -17.119 -3.889 1.00 40.41 C ATOM 553 O GLN A 47 24.714 -18.340 -4.043 1.00 41.23 O ATOM 554 CB GLN A 47 24.969 -16.763 -1.406 1.00 60.55 C ATOM 555 CG GLN A 47 25.202 -18.188 -0.999 1.00 22.32 C ATOM 556 CD GLN A 47 24.603 -18.517 0.353 1.00 50.41 C ATOM 557 OE1 GLN A 47 23.596 -17.947 0.762 1.00 24.54 O ATOM 558 NE2 GLN A 47 25.213 -19.434 1.057 1.00 64.12 N ATOM 0 H GLN A 47 24.638 -14.553 -2.442 1.00 22.43 H new ATOM 0 HA GLN A 47 26.532 -16.738 -2.866 1.00 71.13 H new ATOM 0 HB2 GLN A 47 25.439 -16.107 -0.673 1.00 60.55 H new ATOM 0 HB3 GLN A 47 23.899 -16.560 -1.375 1.00 60.55 H new ATOM 0 HG2 GLN A 47 24.775 -18.851 -1.752 1.00 22.32 H new ATOM 0 HG3 GLN A 47 26.274 -18.383 -0.974 1.00 22.32 H new ATOM 0 HE21 GLN A 47 26.048 -19.889 0.688 1.00 64.12 H new ATOM 0 HE22 GLN A 47 24.854 -19.695 1.975 1.00 64.12 H new ATOM 567 N ALA A 48 23.953 -16.326 -4.637 1.00 73.31 N ATOM 568 CA ALA A 48 23.162 -16.797 -5.738 1.00 43.10 C ATOM 569 C ALA A 48 23.880 -16.406 -7.015 1.00 71.22 C ATOM 570 O ALA A 48 24.974 -15.839 -6.947 1.00 61.35 O ATOM 571 CB ALA A 48 21.766 -16.185 -5.687 1.00 43.52 C ATOM 0 H ALA A 48 23.895 -15.318 -4.492 1.00 73.31 H new ATOM 0 HA ALA A 48 23.042 -17.879 -5.692 1.00 43.10 H new ATOM 0 HB1 ALA A 48 21.177 -16.551 -6.528 1.00 43.52 H new ATOM 0 HB2 ALA A 48 21.279 -16.467 -4.753 1.00 43.52 H new ATOM 0 HB3 ALA A 48 21.842 -15.099 -5.743 1.00 43.52 H new ATOM 577 N GLY A 49 23.305 -16.712 -8.166 1.00 30.04 N ATOM 578 CA GLY A 49 23.953 -16.340 -9.401 1.00 44.22 C ATOM 579 C GLY A 49 23.824 -14.855 -9.663 1.00 45.34 C ATOM 580 O GLY A 49 22.896 -14.405 -10.322 1.00 61.34 O ATOM 0 H GLY A 49 22.417 -17.203 -8.266 1.00 30.04 H new ATOM 0 HA2 GLY A 49 25.007 -16.614 -9.358 1.00 44.22 H new ATOM 0 HA3 GLY A 49 23.512 -16.897 -10.228 1.00 44.22 H new ATOM 584 N LEU A 50 24.752 -14.117 -9.143 1.00 34.12 N ATOM 585 CA LEU A 50 24.819 -12.725 -9.294 1.00 34.33 C ATOM 586 C LEU A 50 26.275 -12.407 -9.548 1.00 34.11 C ATOM 587 O LEU A 50 27.149 -13.211 -9.206 1.00 51.21 O ATOM 588 CB LEU A 50 24.374 -12.064 -7.989 1.00 64.52 C ATOM 589 CG LEU A 50 24.202 -10.564 -8.044 1.00 54.43 C ATOM 590 CD1 LEU A 50 22.888 -10.180 -8.702 1.00 13.42 C ATOM 591 CD2 LEU A 50 24.367 -9.923 -6.687 1.00 41.31 C ATOM 0 H LEU A 50 25.511 -14.499 -8.579 1.00 34.12 H new ATOM 0 HA LEU A 50 24.182 -12.368 -10.103 1.00 34.33 H new ATOM 0 HB2 LEU A 50 23.428 -12.509 -7.681 1.00 64.52 H new ATOM 0 HB3 LEU A 50 25.104 -12.300 -7.215 1.00 64.52 H new ATOM 0 HG LEU A 50 25.003 -10.171 -8.670 1.00 54.43 H new ATOM 0 HD11 LEU A 50 22.796 -9.094 -8.725 1.00 13.42 H new ATOM 0 HD12 LEU A 50 22.864 -10.568 -9.720 1.00 13.42 H new ATOM 0 HD13 LEU A 50 22.059 -10.602 -8.133 1.00 13.42 H new ATOM 0 HD21 LEU A 50 24.235 -8.845 -6.775 1.00 41.31 H new ATOM 0 HD22 LEU A 50 23.621 -10.325 -6.002 1.00 41.31 H new ATOM 0 HD23 LEU A 50 25.365 -10.136 -6.303 1.00 41.31 H new ATOM 603 N ASP A 51 26.528 -11.287 -10.130 1.00 21.00 N ATOM 604 CA ASP A 51 27.863 -10.859 -10.430 1.00 13.54 C ATOM 605 C ASP A 51 28.054 -9.433 -9.931 1.00 30.02 C ATOM 606 O ASP A 51 27.465 -9.041 -8.918 1.00 12.15 O ATOM 607 CB ASP A 51 28.165 -11.000 -11.954 1.00 4.33 C ATOM 608 CG ASP A 51 27.108 -10.387 -12.866 1.00 60.55 C ATOM 609 OD1 ASP A 51 26.790 -9.199 -12.729 1.00 52.01 O ATOM 610 OD2 ASP A 51 26.572 -11.107 -13.744 1.00 34.23 O ATOM 0 H ASP A 51 25.806 -10.627 -10.419 1.00 21.00 H new ATOM 0 HA ASP A 51 28.579 -11.500 -9.915 1.00 13.54 H new ATOM 0 HB2 ASP A 51 29.126 -10.532 -12.166 1.00 4.33 H new ATOM 0 HB3 ASP A 51 28.266 -12.058 -12.195 1.00 4.33 H new HETATM 615 N 4HJ A 52 28.828 -8.671 -10.632 1.00 70.14 N HETATM 616 CA 4HJ A 52 29.165 -7.364 -10.260 1.00 44.24 C HETATM 617 CAA 4HJ A 52 30.040 -9.633 -7.237 1.00 33.13 C HETATM 618 C 4HJ A 52 28.229 -6.429 -10.927 1.00 71.02 C HETATM 619 O 4HJ A 52 27.189 -6.187 -10.422 1.00 74.32 O HETATM 620 CB 4HJ A 52 30.621 -7.058 -10.638 1.00 62.41 C HETATM 621 OG 4HJ A 52 30.923 -7.309 -12.000 1.00 11.24 O HETATM 622 CZ1 4HJ A 52 30.557 -10.876 -6.898 1.00 15.10 C HETATM 623 CZ2 4HJ A 52 30.877 -8.525 -7.348 1.00 61.42 C HETATM 624 OZ 4HJ A 52 32.412 -12.243 -6.287 1.00 33.31 O HETATM 625 CJ 4HJ A 52 32.886 -4.167 -12.295 1.00 75.41 C HETATM 626 CK 4HJ A 52 32.963 -3.048 -11.221 1.00 73.40 C HETATM 627 CL1 4HJ A 52 33.335 -3.669 -9.861 1.00 33.52 C HETATM 628 CL2 4HJ A 52 31.557 -2.492 -11.103 1.00 74.32 C HETATM 629 CM 4HJ A 52 35.407 -2.221 -12.146 1.00 40.40 C HETATM 630 OM 4HJ A 52 34.076 -0.978 -10.614 1.00 74.25 O HETATM 631 NN 4HJ A 52 35.790 -3.459 -12.444 1.00 22.41 N HETATM 632 ON 4HJ A 52 36.177 -1.282 -12.256 1.00 74.11 O HETATM 633 P 4HJ A 52 32.166 -6.526 -12.571 1.00 74.43 P HETATM 634 O1P 4HJ A 52 31.835 -6.090 -13.935 1.00 24.22 O HETATM 635 O2P 4HJ A 52 33.344 -7.408 -12.543 1.00 14.34 O HETATM 636 O3P 4HJ A 52 32.364 -5.356 -11.701 1.00 60.12 O HETATM 637 CX 4HJ A 52 32.794 -9.909 -6.798 1.00 52.00 C HETATM 638 CL3 4HJ A 52 33.940 -1.887 -11.675 1.00 4.13 C HETATM 639 CO 4HJ A 52 36.403 -4.419 -11.497 1.00 42.14 C HETATM 640 CP 4HJ A 52 36.320 -5.859 -12.001 1.00 71.32 C HETATM 641 CQ 4HJ A 52 36.894 -6.858 -11.013 1.00 3.11 C HETATM 642 CS 4HJ A 52 35.281 -8.597 -10.435 1.00 65.13 C HETATM 643 CT 4HJ A 52 34.432 -9.017 -9.250 1.00 51.41 C HETATM 644 CV 4HJ A 52 34.289 -10.078 -6.580 1.00 54.21 C HETATM 645 CY1 4HJ A 52 31.922 -11.020 -6.657 1.00 42.14 C HETATM 646 CY2 4HJ A 52 32.242 -8.653 -7.134 1.00 34.15 C HETATM 647 NR 4HJ A 52 36.035 -7.379 -10.163 1.00 61.43 N HETATM 648 OR 4HJ A 52 38.083 -7.153 -11.026 1.00 63.03 O HETATM 649 OW 4HJ A 52 34.720 -10.743 -5.634 1.00 12.11 O HETATM 650 SU 4HJ A 52 35.428 -9.299 -7.735 1.00 62.42 S ATOM 680 N ILE A 53 28.438 -6.357 -12.223 1.00 63.40 N ATOM 681 CA ILE A 53 27.716 -5.559 -13.192 1.00 55.01 C ATOM 682 C ILE A 53 26.157 -5.627 -12.986 1.00 51.33 C ATOM 683 O ILE A 53 25.469 -4.612 -13.171 1.00 33.30 O ATOM 684 CB ILE A 53 28.172 -6.003 -14.631 1.00 71.33 C ATOM 685 CG1 ILE A 53 28.038 -4.903 -15.683 1.00 42.21 C ATOM 686 CG2 ILE A 53 27.508 -7.292 -15.108 1.00 10.53 C ATOM 687 CD1 ILE A 53 26.627 -4.478 -16.052 1.00 11.34 C ATOM 0 H ILE A 53 29.180 -6.901 -12.664 1.00 63.40 H new ATOM 0 HA ILE A 53 27.959 -4.505 -13.054 1.00 55.01 H new ATOM 0 HB ILE A 53 29.236 -6.209 -14.518 1.00 71.33 H new ATOM 0 HG12 ILE A 53 28.575 -4.024 -15.326 1.00 42.21 H new ATOM 0 HG13 ILE A 53 28.541 -5.237 -16.591 1.00 42.21 H new ATOM 0 HG21 ILE A 53 27.868 -7.539 -16.107 1.00 10.53 H new ATOM 0 HG22 ILE A 53 27.754 -8.103 -14.423 1.00 10.53 H new ATOM 0 HG23 ILE A 53 26.427 -7.156 -15.136 1.00 10.53 H new ATOM 0 HD11 ILE A 53 26.669 -3.693 -16.807 1.00 11.34 H new ATOM 0 HD12 ILE A 53 26.081 -5.334 -16.449 1.00 11.34 H new ATOM 0 HD13 ILE A 53 26.117 -4.102 -15.165 1.00 11.34 H new ATOM 699 N ARG A 54 25.619 -6.801 -12.569 1.00 1.21 N ATOM 700 CA ARG A 54 24.204 -6.941 -12.183 1.00 62.45 C ATOM 701 C ARG A 54 23.830 -5.883 -11.173 1.00 75.20 C ATOM 702 O ARG A 54 22.819 -5.230 -11.316 1.00 73.55 O ATOM 703 CB ARG A 54 23.926 -8.306 -11.547 1.00 73.04 C ATOM 704 CG ARG A 54 23.084 -9.236 -12.397 1.00 34.15 C ATOM 705 CD ARG A 54 23.807 -9.650 -13.644 1.00 72.23 C ATOM 706 NE ARG A 54 22.962 -10.447 -14.524 1.00 53.11 N ATOM 707 CZ ARG A 54 23.418 -11.242 -15.483 1.00 31.51 C ATOM 708 NH1 ARG A 54 24.713 -11.576 -15.523 1.00 14.32 N ATOM 709 NH2 ARG A 54 22.565 -11.756 -16.368 1.00 43.54 N ATOM 0 H ARG A 54 26.154 -7.666 -12.493 1.00 1.21 H new ATOM 0 HA ARG A 54 23.615 -6.835 -13.094 1.00 62.45 H new ATOM 0 HB2 ARG A 54 24.877 -8.793 -11.332 1.00 73.04 H new ATOM 0 HB3 ARG A 54 23.423 -8.152 -10.592 1.00 73.04 H new ATOM 0 HG2 ARG A 54 22.821 -10.121 -11.818 1.00 34.15 H new ATOM 0 HG3 ARG A 54 22.151 -8.741 -12.664 1.00 34.15 H new ATOM 0 HD2 ARG A 54 24.150 -8.763 -14.176 1.00 72.23 H new ATOM 0 HD3 ARG A 54 24.694 -10.224 -13.376 1.00 72.23 H new ATOM 0 HE ARG A 54 21.952 -10.390 -14.394 1.00 53.11 H new ATOM 0 HH11 ARG A 54 25.354 -11.219 -14.814 1.00 14.32 H new ATOM 0 HH12 ARG A 54 25.059 -12.188 -16.262 1.00 14.32 H new ATOM 0 HH21 ARG A 54 21.571 -11.537 -16.305 1.00 43.54 H new ATOM 0 HH22 ARG A 54 22.906 -12.368 -17.109 1.00 43.54 H new ATOM 723 N LEU A 55 24.694 -5.681 -10.205 1.00 10.45 N ATOM 724 CA LEU A 55 24.480 -4.741 -9.127 1.00 34.01 C ATOM 725 C LEU A 55 24.427 -3.334 -9.664 1.00 71.50 C ATOM 726 O LEU A 55 23.527 -2.585 -9.345 1.00 61.21 O ATOM 727 CB LEU A 55 25.609 -4.864 -8.106 1.00 73.51 C ATOM 728 CG LEU A 55 25.682 -6.189 -7.354 1.00 53.23 C ATOM 729 CD1 LEU A 55 27.055 -6.381 -6.782 1.00 11.12 C ATOM 730 CD2 LEU A 55 24.678 -6.197 -6.226 1.00 41.23 C ATOM 0 H LEU A 55 25.584 -6.175 -10.143 1.00 10.45 H new ATOM 0 HA LEU A 55 23.530 -4.968 -8.644 1.00 34.01 H new ATOM 0 HB2 LEU A 55 26.557 -4.707 -8.620 1.00 73.51 H new ATOM 0 HB3 LEU A 55 25.504 -4.060 -7.378 1.00 73.51 H new ATOM 0 HG LEU A 55 25.459 -6.996 -8.052 1.00 53.23 H new ATOM 0 HD11 LEU A 55 27.097 -7.330 -6.247 1.00 11.12 H new ATOM 0 HD12 LEU A 55 27.788 -6.387 -7.589 1.00 11.12 H new ATOM 0 HD13 LEU A 55 27.280 -5.566 -6.094 1.00 11.12 H new ATOM 0 HD21 LEU A 55 24.736 -7.146 -5.694 1.00 41.23 H new ATOM 0 HD22 LEU A 55 24.898 -5.381 -5.538 1.00 41.23 H new ATOM 0 HD23 LEU A 55 23.674 -6.069 -6.631 1.00 41.23 H new ATOM 742 N MET A 56 25.355 -3.004 -10.534 1.00 33.41 N ATOM 743 CA MET A 56 25.457 -1.655 -11.085 1.00 60.23 C ATOM 744 C MET A 56 24.314 -1.362 -12.041 1.00 61.24 C ATOM 745 O MET A 56 23.934 -0.212 -12.256 1.00 14.33 O ATOM 746 CB MET A 56 26.838 -1.396 -11.710 1.00 51.14 C ATOM 747 CG MET A 56 27.969 -1.418 -10.677 1.00 43.13 C ATOM 748 SD MET A 56 28.230 -3.055 -9.947 1.00 41.32 S ATOM 749 CE MET A 56 29.224 -2.669 -8.517 1.00 60.21 C ATOM 0 H MET A 56 26.060 -3.653 -10.883 1.00 33.41 H new ATOM 0 HA MET A 56 25.362 -0.950 -10.259 1.00 60.23 H new ATOM 0 HB2 MET A 56 27.034 -2.149 -12.473 1.00 51.14 H new ATOM 0 HB3 MET A 56 26.829 -0.429 -12.212 1.00 51.14 H new ATOM 0 HG2 MET A 56 28.893 -1.086 -11.151 1.00 43.13 H new ATOM 0 HG3 MET A 56 27.743 -0.705 -9.884 1.00 43.13 H new ATOM 0 HE1 MET A 56 30.071 -3.354 -8.467 1.00 60.21 H new ATOM 0 HE2 MET A 56 29.589 -1.645 -8.594 1.00 60.21 H new ATOM 0 HE3 MET A 56 28.620 -2.772 -7.615 1.00 60.21 H new ATOM 759 N ARG A 57 23.769 -2.417 -12.574 1.00 33.13 N ATOM 760 CA ARG A 57 22.582 -2.397 -13.379 1.00 61.11 C ATOM 761 C ARG A 57 21.396 -1.980 -12.507 1.00 52.41 C ATOM 762 O ARG A 57 20.568 -1.177 -12.913 1.00 1.35 O ATOM 763 CB ARG A 57 22.427 -3.781 -13.892 1.00 30.45 C ATOM 764 CG ARG A 57 21.266 -4.086 -14.769 1.00 23.31 C ATOM 765 CD ARG A 57 21.651 -5.350 -15.423 1.00 62.21 C ATOM 766 NE ARG A 57 20.589 -6.075 -16.124 1.00 32.53 N ATOM 767 CZ ARG A 57 20.316 -7.367 -15.845 1.00 12.14 C ATOM 768 NH1 ARG A 57 20.648 -7.862 -14.655 1.00 53.54 N ATOM 769 NH2 ARG A 57 19.652 -8.132 -16.705 1.00 25.41 N ATOM 0 H ARG A 57 24.156 -3.353 -12.455 1.00 33.13 H new ATOM 0 HA ARG A 57 22.637 -1.688 -14.205 1.00 61.11 H new ATOM 0 HB2 ARG A 57 23.333 -4.034 -14.442 1.00 30.45 H new ATOM 0 HB3 ARG A 57 22.378 -4.450 -13.033 1.00 30.45 H new ATOM 0 HG2 ARG A 57 20.347 -4.196 -14.194 1.00 23.31 H new ATOM 0 HG3 ARG A 57 21.094 -3.293 -15.497 1.00 23.31 H new ATOM 0 HD2 ARG A 57 22.446 -5.136 -16.137 1.00 62.21 H new ATOM 0 HD3 ARG A 57 22.072 -6.011 -14.666 1.00 62.21 H new ATOM 0 HE ARG A 57 20.044 -5.593 -16.839 1.00 32.53 H new ATOM 0 HH11 ARG A 57 21.104 -7.266 -13.964 1.00 53.54 H new ATOM 0 HH12 ARG A 57 20.446 -8.837 -14.434 1.00 53.54 H new ATOM 0 HH21 ARG A 57 19.339 -7.745 -17.595 1.00 25.41 H new ATOM 0 HH22 ARG A 57 19.456 -9.106 -16.475 1.00 25.41 H new ATOM 783 N TRP A 58 21.363 -2.522 -11.282 1.00 11.24 N ATOM 784 CA TRP A 58 20.371 -2.161 -10.276 1.00 22.01 C ATOM 785 C TRP A 58 20.563 -0.723 -9.853 1.00 12.11 C ATOM 786 O TRP A 58 19.595 0.045 -9.809 1.00 31.22 O ATOM 787 CB TRP A 58 20.408 -3.155 -9.100 1.00 11.21 C ATOM 788 CG TRP A 58 20.173 -4.563 -9.564 1.00 3.45 C ATOM 789 CD1 TRP A 58 20.876 -5.671 -9.209 1.00 53.43 C ATOM 790 CD2 TRP A 58 19.174 -5.003 -10.507 1.00 64.34 C ATOM 791 NE1 TRP A 58 20.419 -6.762 -9.910 1.00 73.14 N ATOM 792 CE2 TRP A 58 19.369 -6.374 -10.701 1.00 73.11 C ATOM 793 CE3 TRP A 58 18.137 -4.362 -11.217 1.00 5.41 C ATOM 794 CZ2 TRP A 58 18.588 -7.114 -11.570 1.00 22.43 C ATOM 795 CZ3 TRP A 58 17.357 -5.104 -12.063 1.00 15.22 C ATOM 796 CH2 TRP A 58 17.585 -6.462 -12.239 1.00 4.43 C ATOM 0 H TRP A 58 22.030 -3.226 -10.966 1.00 11.24 H new ATOM 0 HA TRP A 58 19.370 -2.232 -10.702 1.00 22.01 H new ATOM 0 HB2 TRP A 58 21.374 -3.092 -8.599 1.00 11.21 H new ATOM 0 HB3 TRP A 58 19.650 -2.881 -8.366 1.00 11.21 H new ATOM 0 HD1 TRP A 58 21.676 -5.691 -8.483 1.00 53.43 H new ATOM 0 HE1 TRP A 58 20.799 -7.707 -9.851 1.00 73.14 H new ATOM 0 HE3 TRP A 58 17.961 -3.303 -11.095 1.00 5.41 H new ATOM 0 HZ2 TRP A 58 18.762 -8.170 -11.716 1.00 22.43 H new ATOM 0 HZ3 TRP A 58 16.552 -4.626 -12.601 1.00 15.22 H new ATOM 0 HH2 TRP A 58 16.957 -7.018 -12.919 1.00 4.43 H new ATOM 807 N LEU A 59 21.823 -0.338 -9.618 1.00 34.25 N ATOM 808 CA LEU A 59 22.197 1.059 -9.293 1.00 71.42 C ATOM 809 C LEU A 59 21.612 2.008 -10.278 1.00 30.35 C ATOM 810 O LEU A 59 20.783 2.838 -9.944 1.00 4.52 O ATOM 811 CB LEU A 59 23.721 1.261 -9.359 1.00 4.52 C ATOM 812 CG LEU A 59 24.527 1.031 -8.107 1.00 71.02 C ATOM 813 CD1 LEU A 59 24.204 2.095 -7.095 1.00 60.54 C ATOM 814 CD2 LEU A 59 24.257 -0.325 -7.552 1.00 70.04 C ATOM 0 H LEU A 59 22.616 -0.979 -9.646 1.00 34.25 H new ATOM 0 HA LEU A 59 21.822 1.248 -8.287 1.00 71.42 H new ATOM 0 HB2 LEU A 59 24.111 0.599 -10.132 1.00 4.52 H new ATOM 0 HB3 LEU A 59 23.907 2.282 -9.691 1.00 4.52 H new ATOM 0 HG LEU A 59 25.588 1.088 -8.352 1.00 71.02 H new ATOM 0 HD11 LEU A 59 24.788 1.926 -6.190 1.00 60.54 H new ATOM 0 HD12 LEU A 59 24.447 3.075 -7.507 1.00 60.54 H new ATOM 0 HD13 LEU A 59 23.142 2.057 -6.853 1.00 60.54 H new ATOM 0 HD21 LEU A 59 24.848 -0.473 -6.648 1.00 70.04 H new ATOM 0 HD22 LEU A 59 23.198 -0.415 -7.312 1.00 70.04 H new ATOM 0 HD23 LEU A 59 24.527 -1.081 -8.290 1.00 70.04 H new ATOM 826 N HIS A 60 22.000 1.822 -11.504 1.00 73.22 N ATOM 827 CA HIS A 60 21.637 2.686 -12.584 1.00 51.52 C ATOM 828 C HIS A 60 20.126 2.655 -12.843 1.00 12.24 C ATOM 829 O HIS A 60 19.574 3.562 -13.465 1.00 54.34 O ATOM 830 CB HIS A 60 22.454 2.281 -13.818 1.00 52.43 C ATOM 831 CG HIS A 60 22.241 3.135 -15.052 1.00 11.43 C ATOM 832 ND1 HIS A 60 23.045 4.197 -15.408 1.00 1.40 N ATOM 833 CD2 HIS A 60 21.281 3.062 -16.012 1.00 15.20 C ATOM 834 CE1 HIS A 60 22.559 4.725 -16.537 1.00 71.31 C ATOM 835 NE2 HIS A 60 21.486 4.071 -16.943 1.00 24.23 N ATOM 0 H HIS A 60 22.594 1.043 -11.787 1.00 73.22 H new ATOM 0 HA HIS A 60 21.869 3.720 -12.330 1.00 51.52 H new ATOM 0 HB2 HIS A 60 23.512 2.309 -13.557 1.00 52.43 H new ATOM 0 HB3 HIS A 60 22.214 1.247 -14.067 1.00 52.43 H new ATOM 0 HD2 HIS A 60 20.484 2.334 -16.045 1.00 15.20 H new ATOM 0 HE1 HIS A 60 22.988 5.574 -17.049 1.00 71.31 H new ATOM 0 HE2 HIS A 60 20.923 4.267 -17.771 1.00 24.23 H new ATOM 843 N TRP A 61 19.460 1.651 -12.348 1.00 75.33 N ATOM 844 CA TRP A 61 18.060 1.544 -12.542 1.00 31.40 C ATOM 845 C TRP A 61 17.307 2.419 -11.516 1.00 11.10 C ATOM 846 O TRP A 61 16.726 3.438 -11.902 1.00 12.21 O ATOM 847 CB TRP A 61 17.658 0.079 -12.435 1.00 72.44 C ATOM 848 CG TRP A 61 16.227 -0.198 -12.789 1.00 0.14 C ATOM 849 CD1 TRP A 61 15.627 -0.005 -14.000 1.00 74.22 C ATOM 850 CD2 TRP A 61 15.231 -0.750 -11.934 1.00 41.42 C ATOM 851 NE1 TRP A 61 14.311 -0.381 -13.936 1.00 45.12 N ATOM 852 CE2 TRP A 61 14.045 -0.849 -12.677 1.00 3.32 C ATOM 853 CE3 TRP A 61 15.230 -1.163 -10.616 1.00 5.10 C ATOM 854 CZ2 TRP A 61 12.867 -1.351 -12.131 1.00 74.23 C ATOM 855 CZ3 TRP A 61 14.068 -1.660 -10.071 1.00 12.33 C ATOM 856 CH2 TRP A 61 12.901 -1.751 -10.829 1.00 4.24 C ATOM 0 H TRP A 61 19.876 0.895 -11.805 1.00 75.33 H new ATOM 0 HA TRP A 61 17.791 1.908 -13.534 1.00 31.40 H new ATOM 0 HB2 TRP A 61 18.302 -0.510 -13.088 1.00 72.44 H new ATOM 0 HB3 TRP A 61 17.840 -0.262 -11.416 1.00 72.44 H new ATOM 0 HD1 TRP A 61 16.117 0.386 -14.879 1.00 74.22 H new ATOM 0 HE1 TRP A 61 13.639 -0.322 -14.701 1.00 45.12 H new ATOM 0 HE3 TRP A 61 16.129 -1.097 -10.021 1.00 5.10 H new ATOM 0 HZ2 TRP A 61 11.962 -1.421 -12.716 1.00 74.23 H new ATOM 0 HZ3 TRP A 61 14.060 -1.984 -9.041 1.00 12.33 H new ATOM 0 HH2 TRP A 61 12.005 -2.147 -10.374 1.00 4.24 H new ATOM 867 N PHE A 62 17.442 2.103 -10.231 1.00 34.43 N ATOM 868 CA PHE A 62 16.718 2.825 -9.160 1.00 3.51 C ATOM 869 C PHE A 62 17.357 4.126 -8.671 1.00 12.31 C ATOM 870 O PHE A 62 16.678 4.966 -8.104 1.00 11.40 O ATOM 871 CB PHE A 62 16.210 1.934 -8.000 1.00 42.21 C ATOM 872 CG PHE A 62 17.127 0.839 -7.605 1.00 34.42 C ATOM 873 CD1 PHE A 62 18.367 1.099 -7.079 1.00 45.21 C ATOM 874 CD2 PHE A 62 16.744 -0.463 -7.799 1.00 42.13 C ATOM 875 CE1 PHE A 62 19.219 0.060 -6.767 1.00 15.43 C ATOM 876 CE2 PHE A 62 17.571 -1.495 -7.484 1.00 22.24 C ATOM 877 CZ PHE A 62 18.809 -1.238 -6.976 1.00 2.50 C ATOM 0 H PHE A 62 18.044 1.352 -9.894 1.00 34.43 H new ATOM 0 HA PHE A 62 15.826 3.153 -9.693 1.00 3.51 H new ATOM 0 HB2 PHE A 62 16.026 2.565 -7.131 1.00 42.21 H new ATOM 0 HB3 PHE A 62 15.252 1.500 -8.287 1.00 42.21 H new ATOM 0 HD1 PHE A 62 18.677 2.119 -6.909 1.00 45.21 H new ATOM 0 HD2 PHE A 62 15.767 -0.673 -8.210 1.00 42.13 H new ATOM 0 HE1 PHE A 62 20.200 0.263 -6.362 1.00 15.43 H new ATOM 0 HE2 PHE A 62 17.248 -2.514 -7.636 1.00 22.24 H new ATOM 0 HZ PHE A 62 19.472 -2.056 -6.736 1.00 2.50 H new ATOM 887 N ARG A 63 18.663 4.292 -8.841 1.00 41.43 N ATOM 888 CA ARG A 63 19.343 5.533 -8.384 1.00 43.34 C ATOM 889 C ARG A 63 18.750 6.765 -9.091 1.00 62.25 C ATOM 890 O ARG A 63 18.720 7.852 -8.534 1.00 42.10 O ATOM 891 CB ARG A 63 20.860 5.442 -8.628 1.00 24.34 C ATOM 892 CG ARG A 63 21.713 6.564 -8.043 1.00 44.44 C ATOM 893 CD ARG A 63 21.561 6.652 -6.531 1.00 4.23 C ATOM 894 NE ARG A 63 22.598 7.499 -5.916 1.00 72.33 N ATOM 895 CZ ARG A 63 22.418 8.352 -4.891 1.00 71.25 C ATOM 896 NH1 ARG A 63 21.204 8.542 -4.374 1.00 31.32 N ATOM 897 NH2 ARG A 63 23.468 8.997 -4.373 1.00 32.13 N ATOM 0 H ARG A 63 19.277 3.607 -9.282 1.00 41.43 H new ATOM 0 HA ARG A 63 19.177 5.641 -7.312 1.00 43.34 H new ATOM 0 HB2 ARG A 63 21.215 4.496 -8.220 1.00 24.34 H new ATOM 0 HB3 ARG A 63 21.031 5.409 -9.704 1.00 24.34 H new ATOM 0 HG2 ARG A 63 22.760 6.395 -8.295 1.00 44.44 H new ATOM 0 HG3 ARG A 63 21.426 7.514 -8.494 1.00 44.44 H new ATOM 0 HD2 ARG A 63 20.577 7.053 -6.289 1.00 4.23 H new ATOM 0 HD3 ARG A 63 21.611 5.651 -6.104 1.00 4.23 H new ATOM 0 HE ARG A 63 23.539 7.433 -6.303 1.00 72.33 H new ATOM 0 HH11 ARG A 63 20.403 8.039 -4.755 1.00 31.32 H new ATOM 0 HH12 ARG A 63 21.076 9.190 -3.597 1.00 31.32 H new ATOM 0 HH21 ARG A 63 24.401 8.842 -4.755 1.00 32.13 H new ATOM 0 HH22 ARG A 63 23.336 9.645 -3.596 1.00 32.13 H new ATOM 911 N LYS A 64 18.227 6.546 -10.296 1.00 3.13 N ATOM 912 CA LYS A 64 17.597 7.602 -11.089 1.00 72.42 C ATOM 913 C LYS A 64 16.206 7.883 -10.579 1.00 23.03 C ATOM 914 O LYS A 64 15.647 8.937 -10.803 1.00 21.03 O ATOM 915 CB LYS A 64 17.438 7.148 -12.501 1.00 31.23 C ATOM 916 CG LYS A 64 18.698 6.649 -13.124 1.00 75.11 C ATOM 917 CD LYS A 64 18.552 6.611 -14.609 1.00 52.43 C ATOM 918 CE LYS A 64 17.333 5.786 -15.081 1.00 73.23 C ATOM 919 NZ LYS A 64 17.281 4.424 -14.483 1.00 54.13 N ATOM 0 H LYS A 64 18.228 5.633 -10.750 1.00 3.13 H new ATOM 0 HA LYS A 64 18.228 8.488 -11.019 1.00 72.42 H new ATOM 0 HB2 LYS A 64 16.690 6.356 -12.535 1.00 31.23 H new ATOM 0 HB3 LYS A 64 17.053 7.976 -13.097 1.00 31.23 H new ATOM 0 HG2 LYS A 64 19.531 7.296 -12.849 1.00 75.11 H new ATOM 0 HG3 LYS A 64 18.930 5.653 -12.747 1.00 75.11 H new ATOM 0 HD2 LYS A 64 18.460 7.630 -14.985 1.00 52.43 H new ATOM 0 HD3 LYS A 64 19.458 6.191 -15.046 1.00 52.43 H new ATOM 0 HE2 LYS A 64 16.419 6.323 -14.827 1.00 73.23 H new ATOM 0 HE3 LYS A 64 17.360 5.698 -16.167 1.00 73.23 H new ATOM 0 HZ1 LYS A 64 16.659 3.817 -15.055 1.00 54.13 H new ATOM 0 HZ2 LYS A 64 18.238 4.017 -14.462 1.00 54.13 H new ATOM 0 HZ3 LYS A 64 16.909 4.484 -13.514 1.00 54.13 H new ATOM 933 N ASN A 65 15.670 6.908 -9.883 1.00 42.54 N ATOM 934 CA ASN A 65 14.299 6.921 -9.395 1.00 14.14 C ATOM 935 C ASN A 65 14.243 7.614 -8.035 1.00 23.50 C ATOM 936 O ASN A 65 13.202 7.672 -7.388 1.00 3.13 O ATOM 937 CB ASN A 65 13.751 5.468 -9.318 1.00 1.32 C ATOM 938 CG ASN A 65 13.646 4.755 -10.684 1.00 51.05 C ATOM 939 OD1 ASN A 65 14.356 5.096 -11.651 1.00 23.12 O ATOM 940 ND2 ASN A 65 12.839 3.722 -10.761 1.00 53.24 N ATOM 0 H ASN A 65 16.181 6.062 -9.631 1.00 42.54 H new ATOM 0 HA ASN A 65 13.668 7.480 -10.085 1.00 14.14 H new ATOM 0 HB2 ASN A 65 14.398 4.882 -8.664 1.00 1.32 H new ATOM 0 HB3 ASN A 65 12.764 5.488 -8.855 1.00 1.32 H new ATOM 0 HD21 ASN A 65 12.784 3.181 -11.624 1.00 53.24 H new ATOM 0 HD22 ASN A 65 12.267 3.461 -9.958 1.00 53.24 H new ATOM 947 N GLY A 66 15.394 8.127 -7.609 1.00 52.42 N ATOM 948 CA GLY A 66 15.467 8.919 -6.410 1.00 53.34 C ATOM 949 C GLY A 66 15.755 8.139 -5.145 1.00 33.31 C ATOM 950 O GLY A 66 15.347 8.557 -4.068 1.00 45.42 O ATOM 0 H GLY A 66 16.286 8.001 -8.087 1.00 52.42 H new ATOM 0 HA2 GLY A 66 16.243 9.674 -6.538 1.00 53.34 H new ATOM 0 HA3 GLY A 66 14.523 9.450 -6.285 1.00 53.34 H new ATOM 954 N TYR A 67 16.452 7.022 -5.250 1.00 60.30 N ATOM 955 CA TYR A 67 16.794 6.246 -4.061 1.00 44.31 C ATOM 956 C TYR A 67 18.247 6.476 -3.672 1.00 70.14 C ATOM 957 O TYR A 67 19.058 6.904 -4.513 1.00 10.50 O ATOM 958 CB TYR A 67 16.516 4.761 -4.285 1.00 11.35 C ATOM 959 CG TYR A 67 15.072 4.474 -4.571 1.00 51.24 C ATOM 960 CD1 TYR A 67 14.169 4.317 -3.547 1.00 21.33 C ATOM 961 CD2 TYR A 67 14.607 4.383 -5.869 1.00 34.20 C ATOM 962 CE1 TYR A 67 12.846 4.076 -3.808 1.00 12.15 C ATOM 963 CE2 TYR A 67 13.283 4.146 -6.135 1.00 5.34 C ATOM 964 CZ TYR A 67 12.409 3.994 -5.101 1.00 2.31 C ATOM 965 OH TYR A 67 11.086 3.762 -5.351 1.00 74.14 O ATOM 0 H TYR A 67 16.790 6.632 -6.130 1.00 60.30 H new ATOM 0 HA TYR A 67 16.165 6.584 -3.238 1.00 44.31 H new ATOM 0 HB2 TYR A 67 17.124 4.404 -5.117 1.00 11.35 H new ATOM 0 HB3 TYR A 67 16.824 4.202 -3.402 1.00 11.35 H new ATOM 0 HD1 TYR A 67 14.507 4.384 -2.523 1.00 21.33 H new ATOM 0 HD2 TYR A 67 15.299 4.501 -6.689 1.00 34.20 H new ATOM 0 HE1 TYR A 67 12.149 3.951 -2.993 1.00 12.15 H new ATOM 0 HE2 TYR A 67 12.936 4.080 -7.156 1.00 5.34 H new ATOM 0 HH TYR A 67 10.966 3.543 -6.299 1.00 74.14 H new ATOM 975 N ARG A 68 18.585 6.218 -2.414 1.00 71.12 N ATOM 976 CA ARG A 68 19.892 6.408 -1.908 1.00 12.24 C ATOM 977 C ARG A 68 20.718 5.150 -2.099 1.00 61.10 C ATOM 978 O ARG A 68 20.563 4.207 -1.350 1.00 32.41 O ATOM 979 CB ARG A 68 19.815 6.682 -0.415 1.00 72.24 C ATOM 980 CG ARG A 68 21.147 7.017 0.166 1.00 21.35 C ATOM 981 CD ARG A 68 21.203 6.821 1.680 1.00 3.13 C ATOM 982 NE ARG A 68 21.248 5.397 2.040 1.00 60.20 N ATOM 983 CZ ARG A 68 20.689 4.839 3.122 1.00 20.13 C ATOM 984 NH1 ARG A 68 20.102 5.580 4.046 1.00 12.00 N ATOM 985 NH2 ARG A 68 20.765 3.537 3.285 1.00 14.10 N ATOM 0 H ARG A 68 17.926 5.864 -1.721 1.00 71.12 H new ATOM 0 HA ARG A 68 20.350 7.242 -2.439 1.00 12.24 H new ATOM 0 HB2 ARG A 68 19.124 7.505 -0.234 1.00 72.24 H new ATOM 0 HB3 ARG A 68 19.409 5.807 0.093 1.00 72.24 H new ATOM 0 HG2 ARG A 68 21.909 6.395 -0.304 1.00 21.35 H new ATOM 0 HG3 ARG A 68 21.390 8.053 -0.070 1.00 21.35 H new ATOM 0 HD2 ARG A 68 22.082 7.326 2.081 1.00 3.13 H new ATOM 0 HD3 ARG A 68 20.331 7.286 2.140 1.00 3.13 H new ATOM 0 HE ARG A 68 21.752 4.776 1.407 1.00 60.20 H new ATOM 0 HH11 ARG A 68 20.069 6.594 3.942 1.00 12.00 H new ATOM 0 HH12 ARG A 68 19.682 5.138 4.863 1.00 12.00 H new ATOM 0 HH21 ARG A 68 21.246 2.963 2.592 1.00 14.10 H new ATOM 0 HH22 ARG A 68 20.343 3.100 4.105 1.00 14.10 H new ATOM 999 N LEU A 69 21.482 5.075 -3.156 1.00 45.25 N ATOM 1000 CA LEU A 69 22.401 4.015 -3.262 1.00 71.32 C ATOM 1001 C LEU A 69 23.784 4.542 -3.387 1.00 45.22 C ATOM 1002 O LEU A 69 24.062 5.472 -4.170 1.00 71.24 O ATOM 1003 CB LEU A 69 22.166 3.196 -4.503 1.00 31.44 C ATOM 1004 CG LEU A 69 20.813 2.547 -4.737 1.00 2.00 C ATOM 1005 CD1 LEU A 69 20.431 1.578 -3.642 1.00 20.02 C ATOM 1006 CD2 LEU A 69 19.702 3.539 -5.029 1.00 1.23 C ATOM 0 H LEU A 69 21.475 5.733 -3.936 1.00 45.25 H new ATOM 0 HA LEU A 69 22.270 3.408 -2.366 1.00 71.32 H new ATOM 0 HB2 LEU A 69 22.370 3.839 -5.359 1.00 31.44 H new ATOM 0 HB3 LEU A 69 22.913 2.402 -4.514 1.00 31.44 H new ATOM 0 HG LEU A 69 20.938 1.963 -5.649 1.00 2.00 H new ATOM 0 HD11 LEU A 69 19.455 1.145 -3.863 1.00 20.02 H new ATOM 0 HD12 LEU A 69 21.175 0.784 -3.583 1.00 20.02 H new ATOM 0 HD13 LEU A 69 20.387 2.105 -2.689 1.00 20.02 H new ATOM 0 HD21 LEU A 69 18.766 3.002 -5.185 1.00 1.23 H new ATOM 0 HD22 LEU A 69 19.593 4.221 -4.186 1.00 1.23 H new ATOM 0 HD23 LEU A 69 19.948 4.107 -5.926 1.00 1.23 H new ATOM 1018 N THR A 70 24.616 3.958 -2.653 1.00 33.30 N ATOM 1019 CA THR A 70 25.995 4.079 -2.786 1.00 43.52 C ATOM 1020 C THR A 70 26.417 2.657 -3.058 1.00 30.51 C ATOM 1021 O THR A 70 25.841 1.743 -2.481 1.00 33.23 O ATOM 1022 CB THR A 70 26.622 4.553 -1.476 1.00 45.42 C ATOM 1023 OG1 THR A 70 25.814 5.591 -0.916 1.00 15.01 O ATOM 1024 CG2 THR A 70 28.023 5.095 -1.721 1.00 61.51 C ATOM 0 H THR A 70 24.339 3.340 -1.890 1.00 33.30 H new ATOM 0 HA THR A 70 26.294 4.793 -3.553 1.00 43.52 H new ATOM 0 HB THR A 70 26.682 3.708 -0.790 1.00 45.42 H new ATOM 0 HG1 THR A 70 25.061 5.194 -0.431 1.00 15.01 H new ATOM 0 HG21 THR A 70 28.454 5.428 -0.777 1.00 61.51 H new ATOM 0 HG22 THR A 70 28.647 4.310 -2.148 1.00 61.51 H new ATOM 0 HG23 THR A 70 27.972 5.935 -2.413 1.00 61.51 H new ATOM 1032 N LEU A 71 27.397 2.458 -3.894 1.00 44.43 N ATOM 1033 CA LEU A 71 27.799 1.103 -4.351 1.00 65.12 C ATOM 1034 C LEU A 71 28.095 0.157 -3.184 1.00 31.42 C ATOM 1035 O LEU A 71 27.835 -1.040 -3.252 1.00 15.33 O ATOM 1036 CB LEU A 71 29.030 1.154 -5.266 1.00 20.35 C ATOM 1037 CG LEU A 71 28.894 1.745 -6.701 1.00 52.24 C ATOM 1038 CD1 LEU A 71 28.048 0.853 -7.578 1.00 31.14 C ATOM 1039 CD2 LEU A 71 28.352 3.174 -6.706 1.00 30.21 C ATOM 0 H LEU A 71 27.956 3.212 -4.293 1.00 44.43 H new ATOM 0 HA LEU A 71 26.946 0.717 -4.909 1.00 65.12 H new ATOM 0 HB2 LEU A 71 29.799 1.727 -4.748 1.00 20.35 H new ATOM 0 HB3 LEU A 71 29.405 0.136 -5.366 1.00 20.35 H new ATOM 0 HG LEU A 71 29.903 1.788 -7.112 1.00 52.24 H new ATOM 0 HD11 LEU A 71 27.970 1.290 -8.574 1.00 31.14 H new ATOM 0 HD12 LEU A 71 28.510 -0.132 -7.649 1.00 31.14 H new ATOM 0 HD13 LEU A 71 27.052 0.756 -7.145 1.00 31.14 H new ATOM 0 HD21 LEU A 71 28.279 3.532 -7.733 1.00 30.21 H new ATOM 0 HD22 LEU A 71 27.364 3.190 -6.245 1.00 30.21 H new ATOM 0 HD23 LEU A 71 29.025 3.821 -6.143 1.00 30.21 H new ATOM 1051 N ARG A 72 28.569 0.723 -2.100 1.00 32.33 N ATOM 1052 CA ARG A 72 28.972 -0.054 -0.948 1.00 64.11 C ATOM 1053 C ARG A 72 27.731 -0.570 -0.188 1.00 13.41 C ATOM 1054 O ARG A 72 27.828 -1.549 0.514 1.00 75.42 O ATOM 1055 CB ARG A 72 29.898 0.795 -0.028 1.00 42.51 C ATOM 1056 CG ARG A 72 31.010 0.010 0.717 1.00 24.22 C ATOM 1057 CD ARG A 72 30.472 -1.008 1.714 1.00 23.34 C ATOM 1058 NE ARG A 72 31.531 -1.861 2.290 1.00 42.12 N ATOM 1059 CZ ARG A 72 31.400 -3.191 2.507 1.00 35.23 C ATOM 1060 NH1 ARG A 72 30.268 -3.809 2.168 1.00 4.13 N ATOM 1061 NH2 ARG A 72 32.405 -3.892 3.057 1.00 54.30 N ATOM 0 H ARG A 72 28.687 1.730 -1.990 1.00 32.33 H new ATOM 0 HA ARG A 72 29.539 -0.923 -1.281 1.00 64.11 H new ATOM 0 HB2 ARG A 72 30.369 1.570 -0.633 1.00 42.51 H new ATOM 0 HB3 ARG A 72 29.278 1.301 0.712 1.00 42.51 H new ATOM 0 HG2 ARG A 72 31.633 -0.504 -0.015 1.00 24.22 H new ATOM 0 HG3 ARG A 72 31.653 0.717 1.242 1.00 24.22 H new ATOM 0 HD2 ARG A 72 29.956 -0.484 2.519 1.00 23.34 H new ATOM 0 HD3 ARG A 72 29.733 -1.638 1.219 1.00 23.34 H new ATOM 0 HE ARG A 72 32.416 -1.421 2.540 1.00 42.12 H new ATOM 0 HH11 ARG A 72 29.504 -3.280 1.747 1.00 4.13 H new ATOM 0 HH12 ARG A 72 30.166 -4.811 2.330 1.00 4.13 H new ATOM 0 HH21 ARG A 72 33.273 -3.423 3.314 1.00 54.30 H new ATOM 0 HH22 ARG A 72 32.300 -4.894 3.218 1.00 54.30 H new ATOM 1075 N GLU A 73 26.559 0.058 -0.386 1.00 65.33 N ATOM 1076 CA GLU A 73 25.336 -0.362 0.317 1.00 2.51 C ATOM 1077 C GLU A 73 24.850 -1.684 -0.233 1.00 13.24 C ATOM 1078 O GLU A 73 24.444 -2.584 0.511 1.00 24.45 O ATOM 1079 CB GLU A 73 24.255 0.706 0.190 1.00 41.23 C ATOM 1080 CG GLU A 73 24.641 2.016 0.847 1.00 61.32 C ATOM 1081 CD GLU A 73 23.584 3.078 0.700 1.00 52.55 C ATOM 1082 OE1 GLU A 73 22.538 2.963 1.339 1.00 51.21 O ATOM 1083 OE2 GLU A 73 23.800 4.031 -0.072 1.00 53.32 O ATOM 0 H GLU A 73 26.434 0.848 -1.019 1.00 65.33 H new ATOM 0 HA GLU A 73 25.564 -0.490 1.375 1.00 2.51 H new ATOM 0 HB2 GLU A 73 24.047 0.882 -0.865 1.00 41.23 H new ATOM 0 HB3 GLU A 73 23.333 0.338 0.639 1.00 41.23 H new ATOM 0 HG2 GLU A 73 24.831 1.843 1.906 1.00 61.32 H new ATOM 0 HG3 GLU A 73 25.573 2.375 0.410 1.00 61.32 H new ATOM 1090 N LEU A 74 24.991 -1.824 -1.531 1.00 61.34 N ATOM 1091 CA LEU A 74 24.585 -3.024 -2.248 1.00 54.33 C ATOM 1092 C LEU A 74 25.490 -4.179 -1.864 1.00 43.24 C ATOM 1093 O LEU A 74 25.068 -5.314 -1.803 1.00 35.41 O ATOM 1094 CB LEU A 74 24.648 -2.816 -3.778 1.00 53.13 C ATOM 1095 CG LEU A 74 23.731 -1.742 -4.404 1.00 32.01 C ATOM 1096 CD1 LEU A 74 22.274 -1.973 -4.051 1.00 72.14 C ATOM 1097 CD2 LEU A 74 24.171 -0.326 -4.046 1.00 12.31 C ATOM 0 H LEU A 74 25.394 -1.104 -2.130 1.00 61.34 H new ATOM 0 HA LEU A 74 23.554 -3.246 -1.973 1.00 54.33 H new ATOM 0 HB2 LEU A 74 25.677 -2.569 -4.039 1.00 53.13 H new ATOM 0 HB3 LEU A 74 24.418 -3.769 -4.254 1.00 53.13 H new ATOM 0 HG LEU A 74 23.828 -1.842 -5.485 1.00 32.01 H new ATOM 0 HD11 LEU A 74 21.661 -1.197 -4.510 1.00 72.14 H new ATOM 0 HD12 LEU A 74 21.960 -2.949 -4.421 1.00 72.14 H new ATOM 0 HD13 LEU A 74 22.152 -1.939 -2.968 1.00 72.14 H new ATOM 0 HD21 LEU A 74 23.495 0.393 -4.509 1.00 12.31 H new ATOM 0 HD22 LEU A 74 24.148 -0.200 -2.964 1.00 12.31 H new ATOM 0 HD23 LEU A 74 25.185 -0.157 -4.409 1.00 12.31 H new ATOM 1109 N TYR A 75 26.737 -3.850 -1.594 1.00 65.12 N ATOM 1110 CA TYR A 75 27.745 -4.816 -1.173 1.00 20.53 C ATOM 1111 C TYR A 75 27.782 -4.964 0.333 1.00 44.43 C ATOM 1112 O TYR A 75 28.607 -5.707 0.865 1.00 31.12 O ATOM 1113 CB TYR A 75 29.127 -4.351 -1.607 1.00 41.44 C ATOM 1114 CG TYR A 75 29.467 -4.580 -3.042 1.00 75.22 C ATOM 1115 CD1 TYR A 75 29.394 -5.848 -3.590 1.00 32.12 C ATOM 1116 CD2 TYR A 75 29.906 -3.541 -3.840 1.00 14.21 C ATOM 1117 CE1 TYR A 75 29.747 -6.072 -4.899 1.00 63.14 C ATOM 1118 CE2 TYR A 75 30.269 -3.754 -5.148 1.00 40.52 C ATOM 1119 CZ TYR A 75 30.191 -5.021 -5.675 1.00 61.42 C ATOM 1120 OH TYR A 75 30.551 -5.239 -6.983 1.00 44.01 O ATOM 0 H TYR A 75 27.088 -2.895 -1.660 1.00 65.12 H new ATOM 0 HA TYR A 75 27.481 -5.768 -1.633 1.00 20.53 H new ATOM 0 HB2 TYR A 75 29.213 -3.285 -1.398 1.00 41.44 H new ATOM 0 HB3 TYR A 75 29.870 -4.858 -0.991 1.00 41.44 H new ATOM 0 HD1 TYR A 75 29.055 -6.673 -2.981 1.00 32.12 H new ATOM 0 HD2 TYR A 75 29.965 -2.544 -3.429 1.00 14.21 H new ATOM 0 HE1 TYR A 75 29.677 -7.065 -5.318 1.00 63.14 H new ATOM 0 HE2 TYR A 75 30.613 -2.932 -5.758 1.00 40.52 H new ATOM 0 HH TYR A 75 31.350 -4.712 -7.194 1.00 44.01 H new ATOM 1130 N ALA A 76 26.963 -4.225 1.034 1.00 34.31 N ATOM 1131 CA ALA A 76 27.006 -4.289 2.471 1.00 24.12 C ATOM 1132 C ALA A 76 26.069 -5.350 2.958 1.00 0.40 C ATOM 1133 O ALA A 76 26.457 -6.253 3.681 1.00 64.12 O ATOM 1134 CB ALA A 76 26.703 -2.944 3.117 1.00 21.14 C ATOM 0 H ALA A 76 26.272 -3.584 0.644 1.00 34.31 H new ATOM 0 HA ALA A 76 28.022 -4.549 2.767 1.00 24.12 H new ATOM 0 HB1 ALA A 76 26.747 -3.043 4.202 1.00 21.14 H new ATOM 0 HB2 ALA A 76 27.438 -2.209 2.789 1.00 21.14 H new ATOM 0 HB3 ALA A 76 25.706 -2.616 2.823 1.00 21.14 H new ATOM 1140 N ALA A 77 24.844 -5.233 2.550 1.00 54.31 N ATOM 1141 CA ALA A 77 23.860 -6.212 2.857 1.00 33.22 C ATOM 1142 C ALA A 77 23.091 -6.515 1.598 1.00 21.30 C ATOM 1143 O ALA A 77 22.027 -5.936 1.351 1.00 73.23 O ATOM 1144 CB ALA A 77 22.933 -5.745 3.978 1.00 4.42 C ATOM 0 H ALA A 77 24.501 -4.451 1.992 1.00 54.31 H new ATOM 0 HA ALA A 77 24.346 -7.118 3.220 1.00 33.22 H new ATOM 0 HB1 ALA A 77 22.194 -6.519 4.185 1.00 4.42 H new ATOM 0 HB2 ALA A 77 23.518 -5.552 4.877 1.00 4.42 H new ATOM 0 HB3 ALA A 77 22.425 -4.831 3.672 1.00 4.42 H new ATOM 1150 N PRO A 78 23.649 -7.361 0.722 1.00 41.40 N ATOM 1151 CA PRO A 78 23.011 -7.696 -0.524 1.00 65.44 C ATOM 1152 C PRO A 78 21.891 -8.667 -0.283 1.00 3.32 C ATOM 1153 O PRO A 78 22.076 -9.879 -0.330 1.00 32.41 O ATOM 1154 CB PRO A 78 24.125 -8.357 -1.357 1.00 72.21 C ATOM 1155 CG PRO A 78 25.373 -8.238 -0.529 1.00 50.12 C ATOM 1156 CD PRO A 78 24.928 -8.056 0.882 1.00 32.15 C ATOM 0 HA PRO A 78 22.578 -6.829 -1.023 1.00 65.44 H new ATOM 0 HB2 PRO A 78 23.891 -9.401 -1.566 1.00 72.21 H new ATOM 0 HB3 PRO A 78 24.244 -7.858 -2.319 1.00 72.21 H new ATOM 0 HG2 PRO A 78 25.991 -9.130 -0.629 1.00 50.12 H new ATOM 0 HG3 PRO A 78 25.977 -7.393 -0.857 1.00 50.12 H new ATOM 0 HD2 PRO A 78 24.810 -9.009 1.397 1.00 32.15 H new ATOM 0 HD3 PRO A 78 25.641 -7.467 1.460 1.00 32.15 H new ATOM 1164 N THR A 79 20.752 -8.124 0.006 1.00 10.12 N ATOM 1165 CA THR A 79 19.573 -8.859 0.318 1.00 41.12 C ATOM 1166 C THR A 79 18.421 -8.016 -0.150 1.00 30.20 C ATOM 1167 O THR A 79 18.495 -6.787 -0.067 1.00 32.35 O ATOM 1168 CB THR A 79 19.426 -9.055 1.868 1.00 21.04 C ATOM 1169 OG1 THR A 79 19.480 -7.781 2.521 1.00 12.31 O ATOM 1170 CG2 THR A 79 20.507 -9.951 2.456 1.00 62.11 C ATOM 0 H THR A 79 20.615 -7.114 0.032 1.00 10.12 H new ATOM 0 HA THR A 79 19.607 -9.841 -0.153 1.00 41.12 H new ATOM 0 HB THR A 79 18.465 -9.541 2.034 1.00 21.04 H new ATOM 0 HG1 THR A 79 19.387 -7.905 3.489 1.00 12.31 H new ATOM 0 HG21 THR A 79 20.353 -10.049 3.531 1.00 62.11 H new ATOM 0 HG22 THR A 79 20.457 -10.935 1.991 1.00 62.11 H new ATOM 0 HG23 THR A 79 21.486 -9.511 2.268 1.00 62.11 H new ATOM 1178 N LEU A 80 17.371 -8.620 -0.630 1.00 31.22 N ATOM 1179 CA LEU A 80 16.218 -7.841 -1.042 1.00 75.20 C ATOM 1180 C LEU A 80 15.515 -7.308 0.158 1.00 42.44 C ATOM 1181 O LEU A 80 14.771 -6.355 0.079 1.00 70.43 O ATOM 1182 CB LEU A 80 15.285 -8.641 -1.898 1.00 33.03 C ATOM 1183 CG LEU A 80 15.865 -9.084 -3.205 1.00 12.41 C ATOM 1184 CD1 LEU A 80 14.826 -9.811 -3.994 1.00 42.20 C ATOM 1185 CD2 LEU A 80 16.359 -7.904 -4.020 1.00 24.33 C ATOM 0 H LEU A 80 17.280 -9.629 -0.748 1.00 31.22 H new ATOM 0 HA LEU A 80 16.570 -7.006 -1.648 1.00 75.20 H new ATOM 0 HB2 LEU A 80 14.965 -9.521 -1.340 1.00 33.03 H new ATOM 0 HB3 LEU A 80 14.393 -8.047 -2.094 1.00 33.03 H new ATOM 0 HG LEU A 80 16.710 -9.739 -2.990 1.00 12.41 H new ATOM 0 HD11 LEU A 80 15.250 -10.133 -4.945 1.00 42.20 H new ATOM 0 HD12 LEU A 80 14.488 -10.683 -3.434 1.00 42.20 H new ATOM 0 HD13 LEU A 80 13.980 -9.149 -4.179 1.00 42.20 H new ATOM 0 HD21 LEU A 80 16.774 -8.261 -4.963 1.00 24.33 H new ATOM 0 HD22 LEU A 80 15.528 -7.228 -4.222 1.00 24.33 H new ATOM 0 HD23 LEU A 80 17.131 -7.374 -3.462 1.00 24.33 H new ATOM 1197 N ALA A 81 15.756 -7.957 1.257 1.00 13.42 N ATOM 1198 CA ALA A 81 15.259 -7.509 2.549 1.00 32.43 C ATOM 1199 C ALA A 81 15.789 -6.095 2.868 1.00 12.13 C ATOM 1200 O ALA A 81 15.007 -5.167 3.094 1.00 73.01 O ATOM 1201 CB ALA A 81 15.659 -8.489 3.644 1.00 10.30 C ATOM 0 H ALA A 81 16.304 -8.817 1.297 1.00 13.42 H new ATOM 0 HA ALA A 81 14.171 -7.469 2.506 1.00 32.43 H new ATOM 0 HB1 ALA A 81 15.279 -8.138 4.603 1.00 10.30 H new ATOM 0 HB2 ALA A 81 15.239 -9.471 3.425 1.00 10.30 H new ATOM 0 HB3 ALA A 81 16.746 -8.561 3.689 1.00 10.30 H new ATOM 1207 N ALA A 82 17.112 -5.926 2.830 1.00 4.44 N ATOM 1208 CA ALA A 82 17.723 -4.633 3.129 1.00 40.44 C ATOM 1209 C ALA A 82 17.505 -3.638 2.003 1.00 54.54 C ATOM 1210 O ALA A 82 17.272 -2.463 2.250 1.00 2.03 O ATOM 1211 CB ALA A 82 19.205 -4.772 3.427 1.00 44.12 C ATOM 0 H ALA A 82 17.776 -6.664 2.596 1.00 4.44 H new ATOM 0 HA ALA A 82 17.229 -4.250 4.022 1.00 40.44 H new ATOM 0 HB1 ALA A 82 19.626 -3.790 3.645 1.00 44.12 H new ATOM 0 HB2 ALA A 82 19.343 -5.425 4.288 1.00 44.12 H new ATOM 0 HB3 ALA A 82 19.711 -5.200 2.562 1.00 44.12 H new ATOM 1217 N TRP A 83 17.547 -4.110 0.763 1.00 61.15 N ATOM 1218 CA TRP A 83 17.357 -3.218 -0.387 1.00 45.53 C ATOM 1219 C TRP A 83 15.938 -2.672 -0.428 1.00 22.35 C ATOM 1220 O TRP A 83 15.686 -1.605 -0.981 1.00 60.44 O ATOM 1221 CB TRP A 83 17.694 -3.901 -1.718 1.00 53.21 C ATOM 1222 CG TRP A 83 19.130 -4.333 -1.881 1.00 55.13 C ATOM 1223 CD1 TRP A 83 20.148 -4.243 -0.966 1.00 30.40 C ATOM 1224 CD2 TRP A 83 19.694 -4.933 -3.044 1.00 1.13 C ATOM 1225 NE1 TRP A 83 21.299 -4.773 -1.489 1.00 1.25 N ATOM 1226 CE2 TRP A 83 21.048 -5.199 -2.768 1.00 51.31 C ATOM 1227 CE3 TRP A 83 19.178 -5.276 -4.293 1.00 3.40 C ATOM 1228 CZ2 TRP A 83 21.890 -5.795 -3.699 1.00 23.24 C ATOM 1229 CZ3 TRP A 83 20.014 -5.864 -5.217 1.00 14.23 C ATOM 1230 CH2 TRP A 83 21.353 -6.120 -4.916 1.00 3.25 C ATOM 0 H TRP A 83 17.708 -5.088 0.524 1.00 61.15 H new ATOM 0 HA TRP A 83 18.053 -2.390 -0.254 1.00 45.53 H new ATOM 0 HB2 TRP A 83 17.055 -4.777 -1.829 1.00 53.21 H new ATOM 0 HB3 TRP A 83 17.444 -3.218 -2.530 1.00 53.21 H new ATOM 0 HD1 TRP A 83 20.056 -3.817 0.022 1.00 30.40 H new ATOM 0 HE1 TRP A 83 22.195 -4.840 -1.006 1.00 1.25 H new ATOM 0 HE3 TRP A 83 18.142 -5.084 -4.532 1.00 3.40 H new ATOM 0 HZ2 TRP A 83 22.927 -5.994 -3.472 1.00 23.24 H new ATOM 0 HZ3 TRP A 83 19.627 -6.131 -6.189 1.00 14.23 H new ATOM 0 HH2 TRP A 83 21.981 -6.586 -5.661 1.00 3.25 H new ATOM 1241 N ASN A 84 15.020 -3.400 0.177 1.00 64.01 N ATOM 1242 CA ASN A 84 13.633 -2.984 0.241 1.00 71.30 C ATOM 1243 C ASN A 84 13.516 -1.785 1.178 1.00 31.21 C ATOM 1244 O ASN A 84 12.784 -0.845 0.904 1.00 41.23 O ATOM 1245 CB ASN A 84 12.758 -4.136 0.749 1.00 60.44 C ATOM 1246 CG ASN A 84 11.277 -3.889 0.577 1.00 41.30 C ATOM 1247 OD1 ASN A 84 10.852 -3.232 -0.351 1.00 21.50 O ATOM 1248 ND2 ASN A 84 10.482 -4.428 1.466 1.00 1.04 N ATOM 0 H ASN A 84 15.213 -4.291 0.635 1.00 64.01 H new ATOM 0 HA ASN A 84 13.291 -2.705 -0.755 1.00 71.30 H new ATOM 0 HB2 ASN A 84 13.030 -5.049 0.220 1.00 60.44 H new ATOM 0 HB3 ASN A 84 12.970 -4.305 1.805 1.00 60.44 H new ATOM 0 HD21 ASN A 84 9.473 -4.302 1.391 1.00 1.04 H new ATOM 0 HD22 ASN A 84 10.872 -4.975 2.234 1.00 1.04 H new ATOM 1255 N GLN A 85 14.317 -1.796 2.256 1.00 24.12 N ATOM 1256 CA GLN A 85 14.326 -0.725 3.264 1.00 11.44 C ATOM 1257 C GLN A 85 14.645 0.615 2.601 1.00 4.51 C ATOM 1258 O GLN A 85 14.051 1.649 2.934 1.00 22.14 O ATOM 1259 CB GLN A 85 15.369 -1.029 4.347 1.00 45.32 C ATOM 1260 CG GLN A 85 15.386 -0.036 5.497 1.00 62.13 C ATOM 1261 CD GLN A 85 16.488 -0.320 6.498 1.00 35.44 C ATOM 1262 OE1 GLN A 85 16.299 -1.080 7.441 1.00 73.32 O ATOM 1263 NE2 GLN A 85 17.628 0.307 6.330 1.00 41.32 N ATOM 0 H GLN A 85 14.977 -2.549 2.453 1.00 24.12 H new ATOM 0 HA GLN A 85 13.340 -0.669 3.725 1.00 11.44 H new ATOM 0 HB2 GLN A 85 15.181 -2.026 4.746 1.00 45.32 H new ATOM 0 HB3 GLN A 85 16.357 -1.051 3.887 1.00 45.32 H new ATOM 0 HG2 GLN A 85 15.512 0.971 5.100 1.00 62.13 H new ATOM 0 HG3 GLN A 85 14.423 -0.060 6.007 1.00 62.13 H new ATOM 0 HE21 GLN A 85 17.753 0.933 5.534 1.00 41.32 H new ATOM 0 HE22 GLN A 85 18.389 0.169 6.995 1.00 41.32 H new ATOM 1272 N LEU A 86 15.536 0.559 1.625 1.00 53.44 N ATOM 1273 CA LEU A 86 15.968 1.714 0.851 1.00 45.24 C ATOM 1274 C LEU A 86 14.788 2.375 0.105 1.00 73.10 C ATOM 1275 O LEU A 86 14.802 3.574 -0.167 1.00 11.52 O ATOM 1276 CB LEU A 86 17.003 1.258 -0.192 1.00 12.33 C ATOM 1277 CG LEU A 86 18.323 0.669 0.343 1.00 41.33 C ATOM 1278 CD1 LEU A 86 19.049 -0.023 -0.770 1.00 21.54 C ATOM 1279 CD2 LEU A 86 19.227 1.760 0.884 1.00 74.13 C ATOM 0 H LEU A 86 15.990 -0.309 1.341 1.00 53.44 H new ATOM 0 HA LEU A 86 16.394 2.441 1.542 1.00 45.24 H new ATOM 0 HB2 LEU A 86 16.533 0.511 -0.831 1.00 12.33 H new ATOM 0 HB3 LEU A 86 17.245 2.112 -0.825 1.00 12.33 H new ATOM 0 HG LEU A 86 18.078 -0.029 1.143 1.00 41.33 H new ATOM 0 HD11 LEU A 86 19.983 -0.440 -0.392 1.00 21.54 H new ATOM 0 HD12 LEU A 86 18.427 -0.826 -1.166 1.00 21.54 H new ATOM 0 HD13 LEU A 86 19.266 0.693 -1.563 1.00 21.54 H new ATOM 0 HD21 LEU A 86 20.151 1.316 1.255 1.00 74.13 H new ATOM 0 HD22 LEU A 86 19.458 2.468 0.089 1.00 74.13 H new ATOM 0 HD23 LEU A 86 18.722 2.280 1.698 1.00 74.13 H new ATOM 1291 N MET A 87 13.758 1.586 -0.215 1.00 1.33 N ATOM 1292 CA MET A 87 12.698 2.052 -1.073 1.00 11.11 C ATOM 1293 C MET A 87 11.619 2.827 -0.380 1.00 43.35 C ATOM 1294 O MET A 87 11.302 3.949 -0.751 1.00 71.32 O ATOM 1295 CB MET A 87 12.095 0.933 -1.870 1.00 63.34 C ATOM 1296 CG MET A 87 12.989 0.405 -2.932 1.00 55.23 C ATOM 1297 SD MET A 87 12.169 -0.815 -3.919 1.00 21.55 S ATOM 1298 CE MET A 87 13.421 -1.087 -5.124 1.00 2.32 C ATOM 0 H MET A 87 13.648 0.626 0.113 1.00 1.33 H new ATOM 0 HA MET A 87 13.191 2.755 -1.744 1.00 11.11 H new ATOM 0 HB2 MET A 87 11.829 0.120 -1.194 1.00 63.34 H new ATOM 0 HB3 MET A 87 11.170 1.283 -2.328 1.00 63.34 H new ATOM 0 HG2 MET A 87 13.324 1.224 -3.568 1.00 55.23 H new ATOM 0 HG3 MET A 87 13.879 -0.031 -2.477 1.00 55.23 H new ATOM 0 HE1 MET A 87 13.126 -1.909 -5.776 1.00 2.32 H new ATOM 0 HE2 MET A 87 13.557 -0.183 -5.718 1.00 2.32 H new ATOM 0 HE3 MET A 87 14.357 -1.338 -4.626 1.00 2.32 H new ATOM 1308 N LEU A 88 11.030 2.214 0.587 1.00 2.55 N ATOM 1309 CA LEU A 88 9.880 2.766 1.258 1.00 2.33 C ATOM 1310 C LEU A 88 10.200 3.761 2.338 1.00 63.33 C ATOM 1311 O LEU A 88 9.392 4.649 2.609 1.00 64.10 O ATOM 1312 CB LEU A 88 8.894 1.678 1.764 1.00 33.34 C ATOM 1313 CG LEU A 88 9.432 0.261 2.105 1.00 65.13 C ATOM 1314 CD1 LEU A 88 9.734 -0.541 0.858 1.00 30.13 C ATOM 1315 CD2 LEU A 88 10.619 0.291 3.076 1.00 22.24 C ATOM 0 H LEU A 88 11.327 1.307 0.946 1.00 2.55 H new ATOM 0 HA LEU A 88 9.373 3.334 0.478 1.00 2.33 H new ATOM 0 HB2 LEU A 88 8.408 2.067 2.659 1.00 33.34 H new ATOM 0 HB3 LEU A 88 8.120 1.560 1.006 1.00 33.34 H new ATOM 0 HG LEU A 88 8.628 -0.254 2.631 1.00 65.13 H new ATOM 0 HD11 LEU A 88 10.108 -1.525 1.140 1.00 30.13 H new ATOM 0 HD12 LEU A 88 8.824 -0.654 0.269 1.00 30.13 H new ATOM 0 HD13 LEU A 88 10.488 -0.023 0.266 1.00 30.13 H new ATOM 0 HD21 LEU A 88 10.951 -0.728 3.276 1.00 22.24 H new ATOM 0 HD22 LEU A 88 11.437 0.859 2.633 1.00 22.24 H new ATOM 0 HD23 LEU A 88 10.313 0.763 4.010 1.00 22.24 H new ATOM 1327 N SER A 89 11.359 3.652 2.948 1.00 41.34 N ATOM 1328 CA SER A 89 11.671 4.556 4.027 1.00 25.12 C ATOM 1329 C SER A 89 11.838 5.976 3.509 1.00 3.21 C ATOM 1330 O SER A 89 11.253 6.893 4.080 1.00 41.03 O ATOM 1331 CB SER A 89 12.930 4.106 4.733 1.00 10.41 C ATOM 1332 OG SER A 89 12.818 2.752 5.116 1.00 33.32 O ATOM 0 H SER A 89 12.081 2.967 2.723 1.00 41.34 H new ATOM 0 HA SER A 89 10.843 4.546 4.736 1.00 25.12 H new ATOM 0 HB2 SER A 89 13.790 4.235 4.076 1.00 10.41 H new ATOM 0 HB3 SER A 89 13.104 4.727 5.612 1.00 10.41 H new ATOM 0 HG SER A 89 13.220 2.183 4.427 1.00 33.32 H new ATOM 1338 N ARG A 90 12.548 6.113 2.363 1.00 1.21 N ATOM 1339 CA ARG A 90 12.822 7.393 1.659 1.00 64.35 C ATOM 1340 C ARG A 90 12.705 8.646 2.495 1.00 55.41 C ATOM 1341 O ARG A 90 11.835 9.494 2.272 1.00 30.10 O ATOM 1342 CB ARG A 90 12.123 7.491 0.309 1.00 43.12 C ATOM 1343 CG ARG A 90 12.806 6.659 -0.769 1.00 24.35 C ATOM 1344 CD ARG A 90 13.984 7.391 -1.436 1.00 52.34 C ATOM 1345 NE ARG A 90 15.012 7.893 -0.502 1.00 13.21 N ATOM 1346 CZ ARG A 90 15.597 9.101 -0.578 1.00 72.21 C ATOM 1347 NH1 ARG A 90 15.319 9.923 -1.593 1.00 3.22 N ATOM 1348 NH2 ARG A 90 16.514 9.446 0.312 1.00 23.24 N ATOM 0 H ARG A 90 12.960 5.311 1.886 1.00 1.21 H new ATOM 0 HA ARG A 90 13.891 7.345 1.450 1.00 64.35 H new ATOM 0 HB2 ARG A 90 11.089 7.162 0.415 1.00 43.12 H new ATOM 0 HB3 ARG A 90 12.095 8.534 -0.006 1.00 43.12 H new ATOM 0 HG2 ARG A 90 13.165 5.729 -0.329 1.00 24.35 H new ATOM 0 HG3 ARG A 90 12.074 6.390 -1.531 1.00 24.35 H new ATOM 0 HD2 ARG A 90 14.459 6.714 -2.146 1.00 52.34 H new ATOM 0 HD3 ARG A 90 13.593 8.232 -2.009 1.00 52.34 H new ATOM 0 HE ARG A 90 15.300 7.277 0.258 1.00 13.21 H new ATOM 0 HH11 ARG A 90 14.660 9.636 -2.316 1.00 3.22 H new ATOM 0 HH12 ARG A 90 15.766 10.838 -1.645 1.00 3.22 H new ATOM 0 HH21 ARG A 90 16.775 8.796 1.053 1.00 23.24 H new ATOM 0 HH22 ARG A 90 16.959 10.362 0.257 1.00 23.24 H new ATOM 1362 N SER A 91 13.516 8.678 3.514 1.00 12.24 N ATOM 1363 CA SER A 91 13.640 9.783 4.446 1.00 34.12 C ATOM 1364 C SER A 91 15.017 9.654 5.143 1.00 11.24 C ATOM 1365 O SER A 91 15.865 10.502 4.934 1.00 64.12 O ATOM 1366 CB SER A 91 12.434 9.879 5.447 1.00 41.12 C ATOM 1367 OG SER A 91 11.186 10.007 4.769 1.00 51.12 O ATOM 0 H SER A 91 14.141 7.903 3.735 1.00 12.24 H new ATOM 0 HA SER A 91 13.597 10.730 3.908 1.00 34.12 H new ATOM 0 HB2 SER A 91 12.415 8.990 6.078 1.00 41.12 H new ATOM 0 HB3 SER A 91 12.578 10.735 6.107 1.00 41.12 H new ATOM 0 HG SER A 91 11.346 10.154 3.813 1.00 51.12 H new ATOM 1373 N PRO A 92 15.293 8.577 5.978 1.00 60.43 N ATOM 1374 CA PRO A 92 16.664 8.333 6.433 1.00 23.30 C ATOM 1375 C PRO A 92 17.436 7.599 5.332 1.00 64.44 C ATOM 1376 O PRO A 92 18.644 7.778 5.156 1.00 41.14 O ATOM 1377 CB PRO A 92 16.487 7.438 7.668 1.00 32.01 C ATOM 1378 CG PRO A 92 15.198 6.714 7.452 1.00 24.33 C ATOM 1379 CD PRO A 92 14.333 7.608 6.598 1.00 25.32 C ATOM 0 HA PRO A 92 17.220 9.242 6.661 1.00 23.30 H new ATOM 0 HB2 PRO A 92 17.318 6.740 7.769 1.00 32.01 H new ATOM 0 HB3 PRO A 92 16.456 8.031 8.582 1.00 32.01 H new ATOM 0 HG2 PRO A 92 15.370 5.757 6.959 1.00 24.33 H new ATOM 0 HG3 PRO A 92 14.711 6.499 8.403 1.00 24.33 H new ATOM 0 HD2 PRO A 92 13.800 7.036 5.838 1.00 25.32 H new ATOM 0 HD3 PRO A 92 13.581 8.122 7.196 1.00 25.32 H new ATOM 1387 N GLU A 93 16.689 6.802 4.591 1.00 64.42 N ATOM 1388 CA GLU A 93 17.179 6.051 3.483 1.00 72.31 C ATOM 1389 C GLU A 93 16.850 6.839 2.246 1.00 13.14 C ATOM 1390 O GLU A 93 15.724 6.699 1.733 1.00 2.11 O ATOM 1391 CB GLU A 93 16.493 4.675 3.415 1.00 61.41 C ATOM 1392 CG GLU A 93 16.563 3.845 4.701 1.00 4.30 C ATOM 1393 CD GLU A 93 17.970 3.464 5.101 1.00 13.54 C ATOM 1394 OE1 GLU A 93 18.632 4.250 5.805 1.00 40.12 O ATOM 1395 OE2 GLU A 93 18.431 2.371 4.713 1.00 24.53 O ATOM 1396 OXT GLU A 93 17.659 7.671 1.825 1.00 37.90 O ATOM 0 H GLU A 93 15.693 6.665 4.761 1.00 64.42 H new ATOM 0 HA GLU A 93 18.252 5.884 3.579 1.00 72.31 H new ATOM 0 HB2 GLU A 93 15.445 4.822 3.154 1.00 61.41 H new ATOM 0 HB3 GLU A 93 16.946 4.101 2.606 1.00 61.41 H new ATOM 0 HG2 GLU A 93 16.104 4.409 5.513 1.00 4.30 H new ATOM 0 HG3 GLU A 93 15.973 2.938 4.570 1.00 4.30 H new TER 1403 GLU A 93