USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN :FLIP amide:sc= -1.54 F(o=-1.5,f=-0.99) USER MOD Set 1.2: A 70 TYR OH : rot 57:sc= 0.548 USER MOD Single : A 1 GLY N :NH3+ -157:sc=0.000363 (180deg=0) USER MOD Single : A 2 MET CE :methyl -165:sc=-0.00257 (180deg=-0.207) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 140:sc= -0.0636 (180deg=-1.8) USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= 0.831 (180deg=0.745) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0283 X(o=-0.028,f=-0.47) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.0625 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HE2:sc= 0.502 K(o=0.5,f=-2.2!) USER MOD Single : A 50 MET CE :methyl 151:sc= -1.62 (180deg=-3.1!) USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= 1.72 (180deg=1.57) USER MOD Single : A 60 LYS NZ :NH3+ -111:sc= -0.0866 (180deg=-1.52) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 141:sc= -0.0438 (180deg=-0.247) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.67 K(o=-0.67,f=-5.8!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.843 9.380 1.306 1.00 5.10 N ATOM 2 CA GLY A 1 -17.732 8.965 2.173 1.00 71.14 C ATOM 3 C GLY A 1 -16.880 7.943 1.447 1.00 30.34 C ATOM 4 O GLY A 1 -16.464 8.193 0.320 1.00 34.03 O ATOM 0 H1 GLY A 1 -19.186 10.315 1.605 1.00 5.10 H new ATOM 0 H2 GLY A 1 -18.514 9.430 0.321 1.00 5.10 H new ATOM 0 H3 GLY A 1 -19.616 8.689 1.378 1.00 5.10 H new ATOM 0 HA2 GLY A 1 -17.128 9.830 2.447 1.00 71.14 H new ATOM 0 HA3 GLY A 1 -18.119 8.540 3.099 1.00 71.14 H new ATOM 8 N MET A 2 -16.624 6.784 2.060 1.00 63.22 N ATOM 9 CA MET A 2 -15.956 5.617 1.468 1.00 5.20 C ATOM 10 C MET A 2 -14.443 5.780 1.222 1.00 62.34 C ATOM 11 O MET A 2 -13.759 4.764 1.106 1.00 71.22 O ATOM 12 CB MET A 2 -16.731 5.142 0.222 1.00 25.04 C ATOM 13 CG MET A 2 -16.392 3.705 -0.187 1.00 5.54 C ATOM 14 SD MET A 2 -17.571 2.953 -1.340 1.00 41.34 S ATOM 15 CE MET A 2 -18.978 2.692 -0.219 1.00 2.33 C ATOM 0 H MET A 2 -16.890 6.624 3.032 1.00 63.22 H new ATOM 0 HA MET A 2 -15.988 4.828 2.220 1.00 5.20 H new ATOM 0 HB2 MET A 2 -17.801 5.215 0.418 1.00 25.04 H new ATOM 0 HB3 MET A 2 -16.513 5.811 -0.611 1.00 25.04 H new ATOM 0 HG2 MET A 2 -15.401 3.694 -0.642 1.00 5.54 H new ATOM 0 HG3 MET A 2 -16.337 3.089 0.710 1.00 5.54 H new ATOM 0 HE1 MET A 2 -19.688 2.005 -0.680 1.00 2.33 H new ATOM 0 HE2 MET A 2 -18.621 2.269 0.720 1.00 2.33 H new ATOM 0 HE3 MET A 2 -19.470 3.645 -0.024 1.00 2.33 H new ATOM 25 N GLN A 3 -13.897 7.003 1.248 1.00 70.21 N ATOM 26 CA GLN A 3 -12.487 7.389 1.038 1.00 51.35 C ATOM 27 C GLN A 3 -11.544 6.951 2.187 1.00 62.03 C ATOM 28 O GLN A 3 -10.630 7.674 2.581 1.00 74.23 O ATOM 29 CB GLN A 3 -12.443 8.918 0.772 1.00 21.20 C ATOM 30 CG GLN A 3 -12.452 9.293 -0.718 1.00 44.52 C ATOM 31 CD GLN A 3 -13.654 8.757 -1.487 1.00 4.21 C ATOM 32 OE1 GLN A 3 -14.714 9.382 -1.546 1.00 3.20 O ATOM 33 NE2 GLN A 3 -13.529 7.581 -2.075 1.00 2.54 N ATOM 0 H GLN A 3 -14.477 7.822 1.432 1.00 70.21 H new ATOM 0 HA GLN A 3 -12.100 6.853 0.171 1.00 51.35 H new ATOM 0 HB2 GLN A 3 -13.298 9.386 1.259 1.00 21.20 H new ATOM 0 HB3 GLN A 3 -11.547 9.331 1.235 1.00 21.20 H new ATOM 0 HG2 GLN A 3 -12.431 10.379 -0.809 1.00 44.52 H new ATOM 0 HG3 GLN A 3 -11.540 8.917 -1.182 1.00 44.52 H new ATOM 0 HE21 GLN A 3 -12.646 7.074 -2.019 1.00 2.54 H new ATOM 0 HE22 GLN A 3 -14.316 7.180 -2.586 1.00 2.54 H new ATOM 42 N PHE A 4 -11.804 5.792 2.781 1.00 72.33 N ATOM 43 CA PHE A 4 -11.106 5.158 3.885 1.00 54.41 C ATOM 44 C PHE A 4 -11.132 3.641 3.662 1.00 12.11 C ATOM 45 O PHE A 4 -10.140 2.935 3.847 1.00 24.20 O ATOM 46 CB PHE A 4 -11.868 5.497 5.155 1.00 53.15 C ATOM 47 CG PHE A 4 -11.134 6.474 6.035 1.00 51.21 C ATOM 48 CD1 PHE A 4 -11.144 7.837 5.702 1.00 74.11 C ATOM 49 CD2 PHE A 4 -10.365 6.024 7.119 1.00 45.12 C ATOM 50 CE1 PHE A 4 -10.359 8.745 6.425 1.00 74.05 C ATOM 51 CE2 PHE A 4 -9.587 6.939 7.849 1.00 73.13 C ATOM 52 CZ PHE A 4 -9.584 8.303 7.507 1.00 21.14 C ATOM 0 H PHE A 4 -12.587 5.219 2.467 1.00 72.33 H new ATOM 0 HA PHE A 4 -10.073 5.499 3.957 1.00 54.41 H new ATOM 0 HB2 PHE A 4 -12.840 5.914 4.890 1.00 53.15 H new ATOM 0 HB3 PHE A 4 -12.056 4.581 5.715 1.00 53.15 H new ATOM 0 HD1 PHE A 4 -11.759 8.187 4.886 1.00 74.11 H new ATOM 0 HD2 PHE A 4 -10.371 4.979 7.391 1.00 45.12 H new ATOM 0 HE1 PHE A 4 -10.351 9.789 6.148 1.00 74.05 H new ATOM 0 HE2 PHE A 4 -8.988 6.592 8.678 1.00 73.13 H new ATOM 0 HZ PHE A 4 -8.989 9.005 8.073 1.00 21.14 H new ATOM 62 N LYS A 5 -12.304 3.123 3.265 1.00 63.05 N ATOM 63 CA LYS A 5 -12.510 1.723 2.918 1.00 53.23 C ATOM 64 C LYS A 5 -11.548 1.333 1.805 1.00 54.12 C ATOM 65 O LYS A 5 -10.686 0.479 2.029 1.00 13.44 O ATOM 66 CB LYS A 5 -13.979 1.459 2.568 1.00 2.43 C ATOM 67 CG LYS A 5 -14.847 1.326 3.831 1.00 42.42 C ATOM 68 CD LYS A 5 -14.650 -0.012 4.570 1.00 62.12 C ATOM 69 CE LYS A 5 -13.777 0.128 5.825 1.00 63.14 C ATOM 70 NZ LYS A 5 -13.180 -1.162 6.230 1.00 51.12 N ATOM 0 H LYS A 5 -13.150 3.686 3.177 1.00 63.05 H new ATOM 0 HA LYS A 5 -12.290 1.089 3.777 1.00 53.23 H new ATOM 0 HB2 LYS A 5 -14.358 2.272 1.949 1.00 2.43 H new ATOM 0 HB3 LYS A 5 -14.054 0.547 1.976 1.00 2.43 H new ATOM 0 HG2 LYS A 5 -14.615 2.146 4.511 1.00 42.42 H new ATOM 0 HG3 LYS A 5 -15.896 1.429 3.554 1.00 42.42 H new ATOM 0 HD2 LYS A 5 -15.623 -0.413 4.852 1.00 62.12 H new ATOM 0 HD3 LYS A 5 -14.192 -0.733 3.892 1.00 62.12 H new ATOM 0 HE2 LYS A 5 -12.984 0.851 5.636 1.00 63.14 H new ATOM 0 HE3 LYS A 5 -14.379 0.522 6.644 1.00 63.14 H new ATOM 0 HZ1 LYS A 5 -12.598 -1.023 7.081 1.00 51.12 H new ATOM 0 HZ2 LYS A 5 -13.937 -1.845 6.435 1.00 51.12 H new ATOM 0 HZ3 LYS A 5 -12.584 -1.526 5.459 1.00 51.12 H new ATOM 84 N ALA A 6 -11.656 1.996 0.650 1.00 71.41 N ATOM 85 CA ALA A 6 -10.765 1.748 -0.473 1.00 34.34 C ATOM 86 C ALA A 6 -9.309 1.973 -0.065 1.00 21.01 C ATOM 87 O ALA A 6 -8.444 1.202 -0.464 1.00 23.40 O ATOM 88 CB ALA A 6 -11.162 2.628 -1.659 1.00 41.44 C ATOM 0 H ALA A 6 -12.360 2.713 0.474 1.00 71.41 H new ATOM 0 HA ALA A 6 -10.859 0.706 -0.780 1.00 34.34 H new ATOM 0 HB1 ALA A 6 -10.490 2.436 -2.495 1.00 41.44 H new ATOM 0 HB2 ALA A 6 -12.185 2.399 -1.956 1.00 41.44 H new ATOM 0 HB3 ALA A 6 -11.094 3.677 -1.372 1.00 41.44 H new ATOM 94 N GLU A 7 -9.042 2.993 0.749 1.00 42.55 N ATOM 95 CA GLU A 7 -7.710 3.515 1.052 1.00 74.45 C ATOM 96 C GLU A 7 -6.893 2.472 1.808 1.00 14.31 C ATOM 97 O GLU A 7 -5.890 1.964 1.296 1.00 14.13 O ATOM 98 CB GLU A 7 -7.875 4.854 1.805 1.00 61.14 C ATOM 99 CG GLU A 7 -8.016 6.014 0.807 1.00 44.45 C ATOM 100 CD GLU A 7 -9.084 5.728 -0.246 1.00 13.32 C ATOM 101 OE1 GLU A 7 -10.238 5.440 0.132 1.00 25.22 O ATOM 102 OE2 GLU A 7 -8.733 5.693 -1.450 1.00 64.35 O ATOM 0 H GLU A 7 -9.780 3.500 1.237 1.00 42.55 H new ATOM 0 HA GLU A 7 -7.145 3.719 0.143 1.00 74.45 H new ATOM 0 HB2 GLU A 7 -8.753 4.811 2.449 1.00 61.14 H new ATOM 0 HB3 GLU A 7 -7.014 5.024 2.451 1.00 61.14 H new ATOM 0 HG2 GLU A 7 -8.271 6.927 1.345 1.00 44.45 H new ATOM 0 HG3 GLU A 7 -7.059 6.190 0.316 1.00 44.45 H new ATOM 109 N ALA A 8 -7.376 2.041 2.977 1.00 22.40 N ATOM 110 CA ALA A 8 -6.652 1.043 3.757 1.00 14.14 C ATOM 111 C ALA A 8 -6.544 -0.294 3.009 1.00 32.40 C ATOM 112 O ALA A 8 -5.615 -1.065 3.259 1.00 25.13 O ATOM 113 CB ALA A 8 -7.300 0.864 5.132 1.00 71.02 C ATOM 0 H ALA A 8 -8.249 2.362 3.395 1.00 22.40 H new ATOM 0 HA ALA A 8 -5.635 1.406 3.905 1.00 14.14 H new ATOM 0 HB1 ALA A 8 -6.747 0.116 5.700 1.00 71.02 H new ATOM 0 HB2 ALA A 8 -7.283 1.813 5.668 1.00 71.02 H new ATOM 0 HB3 ALA A 8 -8.332 0.536 5.008 1.00 71.02 H new ATOM 119 N ARG A 9 -7.473 -0.610 2.094 1.00 42.51 N ATOM 120 CA ARG A 9 -7.384 -1.807 1.251 1.00 54.33 C ATOM 121 C ARG A 9 -6.296 -1.629 0.195 1.00 22.14 C ATOM 122 O ARG A 9 -5.506 -2.550 -0.014 1.00 74.01 O ATOM 123 CB ARG A 9 -8.754 -2.103 0.613 1.00 24.41 C ATOM 124 CG ARG A 9 -8.842 -3.481 -0.072 1.00 52.43 C ATOM 125 CD ARG A 9 -8.657 -4.692 0.854 1.00 71.04 C ATOM 126 NE ARG A 9 -9.501 -4.619 2.059 1.00 31.03 N ATOM 127 CZ ARG A 9 -9.906 -5.651 2.807 1.00 21.44 C ATOM 128 NH1 ARG A 9 -9.466 -6.879 2.573 1.00 4.30 N ATOM 129 NH2 ARG A 9 -10.729 -5.443 3.823 1.00 13.24 N ATOM 0 H ARG A 9 -8.303 -0.044 1.920 1.00 42.51 H new ATOM 0 HA ARG A 9 -7.109 -2.664 1.866 1.00 54.33 H new ATOM 0 HB2 ARG A 9 -9.523 -2.042 1.383 1.00 24.41 H new ATOM 0 HB3 ARG A 9 -8.976 -1.329 -0.121 1.00 24.41 H new ATOM 0 HG2 ARG A 9 -9.813 -3.564 -0.560 1.00 52.43 H new ATOM 0 HG3 ARG A 9 -8.086 -3.526 -0.856 1.00 52.43 H new ATOM 0 HD2 ARG A 9 -8.892 -5.604 0.305 1.00 71.04 H new ATOM 0 HD3 ARG A 9 -7.611 -4.760 1.152 1.00 71.04 H new ATOM 0 HE ARG A 9 -9.806 -3.691 2.351 1.00 31.03 H new ATOM 0 HH11 ARG A 9 -8.808 -7.049 1.812 1.00 4.30 H new ATOM 0 HH12 ARG A 9 -9.785 -7.654 3.154 1.00 4.30 H new ATOM 0 HH21 ARG A 9 -11.052 -4.498 4.033 1.00 13.24 H new ATOM 0 HH22 ARG A 9 -11.040 -6.227 4.396 1.00 13.24 H new ATOM 143 N ARG A 10 -6.208 -0.447 -0.430 1.00 73.33 N ATOM 144 CA ARG A 10 -5.152 -0.068 -1.370 1.00 11.21 C ATOM 145 C ARG A 10 -3.814 -0.322 -0.700 1.00 23.00 C ATOM 146 O ARG A 10 -3.011 -1.082 -1.236 1.00 43.51 O ATOM 147 CB ARG A 10 -5.305 1.408 -1.815 1.00 13.30 C ATOM 148 CG ARG A 10 -4.787 1.657 -3.242 1.00 3.31 C ATOM 149 CD ARG A 10 -4.472 3.131 -3.558 1.00 1.14 C ATOM 150 NE ARG A 10 -5.491 4.098 -3.099 1.00 72.24 N ATOM 151 CZ ARG A 10 -5.379 5.438 -3.171 1.00 3.44 C ATOM 152 NH1 ARG A 10 -4.348 6.018 -3.782 1.00 13.40 N ATOM 153 NH2 ARG A 10 -6.316 6.222 -2.651 1.00 51.22 N ATOM 0 H ARG A 10 -6.894 0.294 -0.288 1.00 73.33 H new ATOM 0 HA ARG A 10 -5.222 -0.668 -2.277 1.00 11.21 H new ATOM 0 HB2 ARG A 10 -6.356 1.692 -1.760 1.00 13.30 H new ATOM 0 HB3 ARG A 10 -4.764 2.050 -1.120 1.00 13.30 H new ATOM 0 HG2 ARG A 10 -3.885 1.065 -3.396 1.00 3.31 H new ATOM 0 HG3 ARG A 10 -5.530 1.297 -3.953 1.00 3.31 H new ATOM 0 HD2 ARG A 10 -3.516 3.389 -3.102 1.00 1.14 H new ATOM 0 HD3 ARG A 10 -4.350 3.238 -4.636 1.00 1.14 H new ATOM 0 HE ARG A 10 -6.348 3.720 -2.695 1.00 72.24 H new ATOM 0 HH11 ARG A 10 -3.620 5.445 -4.209 1.00 13.40 H new ATOM 0 HH12 ARG A 10 -4.286 7.035 -3.823 1.00 13.40 H new ATOM 0 HH21 ARG A 10 -7.129 5.810 -2.192 1.00 51.22 H new ATOM 0 HH22 ARG A 10 -6.223 7.236 -2.710 1.00 51.22 H new ATOM 167 N ASN A 11 -3.591 0.256 0.484 1.00 31.01 N ATOM 168 CA ASN A 11 -2.304 0.103 1.146 1.00 50.42 C ATOM 169 C ASN A 11 -2.048 -1.326 1.606 1.00 42.42 C ATOM 170 O ASN A 11 -0.910 -1.773 1.526 1.00 53.33 O ATOM 171 CB ASN A 11 -2.106 1.077 2.309 1.00 11.35 C ATOM 172 CG ASN A 11 -1.502 2.363 1.793 1.00 22.43 C ATOM 173 OD1 ASN A 11 -2.205 3.455 1.945 1.00 53.43 O flip ATOM 174 ND2 ASN A 11 -0.444 2.344 1.174 1.00 13.42 N flip ATOM 0 H ASN A 11 -4.272 0.821 0.990 1.00 31.01 H new ATOM 0 HA ASN A 11 -1.566 0.350 0.382 1.00 50.42 H new ATOM 0 HB2 ASN A 11 -3.061 1.280 2.794 1.00 11.35 H new ATOM 0 HB3 ASN A 11 -1.455 0.633 3.062 1.00 11.35 H new ATOM 0 HD21 ASN A 11 0.075 1.471 1.078 1.00 13.42 H new ATOM 0 HD22 ASN A 11 -0.083 3.201 0.755 1.00 13.42 H new ATOM 181 N LYS A 12 -3.062 -2.076 2.059 1.00 64.21 N ATOM 182 CA LYS A 12 -2.862 -3.480 2.436 1.00 32.24 C ATOM 183 C LYS A 12 -2.319 -4.270 1.244 1.00 14.44 C ATOM 184 O LYS A 12 -1.263 -4.893 1.341 1.00 54.40 O ATOM 185 CB LYS A 12 -4.158 -4.096 2.994 1.00 25.34 C ATOM 186 CG LYS A 12 -3.917 -5.509 3.549 1.00 31.04 C ATOM 187 CD LYS A 12 -5.203 -6.143 4.104 1.00 22.42 C ATOM 188 CE LYS A 12 -4.829 -7.427 4.854 1.00 62.23 C ATOM 189 NZ LYS A 12 -5.884 -8.458 4.843 1.00 61.24 N ATOM 0 H LYS A 12 -4.018 -1.738 2.172 1.00 64.21 H new ATOM 0 HA LYS A 12 -2.123 -3.528 3.235 1.00 32.24 H new ATOM 0 HB2 LYS A 12 -4.555 -3.457 3.783 1.00 25.34 H new ATOM 0 HB3 LYS A 12 -4.911 -4.137 2.207 1.00 25.34 H new ATOM 0 HG2 LYS A 12 -3.513 -6.143 2.760 1.00 31.04 H new ATOM 0 HG3 LYS A 12 -3.166 -5.464 4.338 1.00 31.04 H new ATOM 0 HD2 LYS A 12 -5.710 -5.448 4.773 1.00 22.42 H new ATOM 0 HD3 LYS A 12 -5.896 -6.367 3.293 1.00 22.42 H new ATOM 0 HE2 LYS A 12 -3.924 -7.843 4.412 1.00 62.23 H new ATOM 0 HE3 LYS A 12 -4.592 -7.176 5.888 1.00 62.23 H new ATOM 0 HZ1 LYS A 12 -5.558 -9.294 5.369 1.00 61.24 H new ATOM 0 HZ2 LYS A 12 -6.743 -8.080 5.291 1.00 61.24 H new ATOM 0 HZ3 LYS A 12 -6.096 -8.727 3.861 1.00 61.24 H new ATOM 203 N LEU A 13 -3.028 -4.225 0.112 1.00 74.33 N ATOM 204 CA LEU A 13 -2.621 -4.933 -1.098 1.00 65.03 C ATOM 205 C LEU A 13 -1.277 -4.418 -1.621 1.00 5.24 C ATOM 206 O LEU A 13 -0.479 -5.228 -2.102 1.00 71.42 O ATOM 207 CB LEU A 13 -3.688 -4.837 -2.191 1.00 13.30 C ATOM 208 CG LEU A 13 -5.012 -5.563 -1.936 1.00 32.23 C ATOM 209 CD1 LEU A 13 -5.921 -5.236 -3.134 1.00 30.03 C ATOM 210 CD2 LEU A 13 -4.782 -7.076 -1.804 1.00 13.52 C ATOM 0 H LEU A 13 -3.896 -3.698 0.012 1.00 74.33 H new ATOM 0 HA LEU A 13 -2.504 -5.983 -0.829 1.00 65.03 H new ATOM 0 HB2 LEU A 13 -3.907 -3.782 -2.359 1.00 13.30 H new ATOM 0 HB3 LEU A 13 -3.261 -5.225 -3.116 1.00 13.30 H new ATOM 0 HG LEU A 13 -5.472 -5.239 -1.003 1.00 32.23 H new ATOM 0 HD11 LEU A 13 -6.884 -5.730 -3.005 1.00 30.03 H new ATOM 0 HD12 LEU A 13 -6.071 -4.158 -3.193 1.00 30.03 H new ATOM 0 HD13 LEU A 13 -5.452 -5.588 -4.053 1.00 30.03 H new ATOM 0 HD21 LEU A 13 -5.734 -7.574 -1.623 1.00 13.52 H new ATOM 0 HD22 LEU A 13 -4.341 -7.459 -2.725 1.00 13.52 H new ATOM 0 HD23 LEU A 13 -4.107 -7.270 -0.971 1.00 13.52 H new ATOM 222 N MET A 14 -0.996 -3.110 -1.520 1.00 10.14 N ATOM 223 CA MET A 14 0.322 -2.572 -1.796 1.00 31.45 C ATOM 224 C MET A 14 1.363 -3.265 -0.925 1.00 62.40 C ATOM 225 O MET A 14 2.222 -3.956 -1.463 1.00 61.13 O ATOM 226 CB MET A 14 0.308 -1.049 -1.624 1.00 42.31 C ATOM 227 CG MET A 14 1.676 -0.377 -1.756 1.00 2.52 C ATOM 228 SD MET A 14 2.756 -0.974 -3.078 1.00 42.53 S ATOM 229 CE MET A 14 3.647 0.559 -3.351 1.00 14.11 C ATOM 0 H MET A 14 -1.682 -2.407 -1.245 1.00 10.14 H new ATOM 0 HA MET A 14 0.600 -2.771 -2.831 1.00 31.45 H new ATOM 0 HB2 MET A 14 -0.365 -0.620 -2.366 1.00 42.31 H new ATOM 0 HB3 MET A 14 -0.105 -0.812 -0.644 1.00 42.31 H new ATOM 0 HG2 MET A 14 1.517 0.691 -1.904 1.00 2.52 H new ATOM 0 HG3 MET A 14 2.203 -0.492 -0.809 1.00 2.52 H new ATOM 0 HE1 MET A 14 4.701 0.342 -3.522 1.00 14.11 H new ATOM 0 HE2 MET A 14 3.235 1.069 -4.222 1.00 14.11 H new ATOM 0 HE3 MET A 14 3.546 1.199 -2.475 1.00 14.11 H new ATOM 239 N GLY A 15 1.293 -3.148 0.404 1.00 13.25 N ATOM 240 CA GLY A 15 2.336 -3.678 1.272 1.00 72.33 C ATOM 241 C GLY A 15 2.522 -5.187 1.135 1.00 62.30 C ATOM 242 O GLY A 15 3.630 -5.667 1.361 1.00 61.04 O ATOM 0 H GLY A 15 0.525 -2.691 0.897 1.00 13.25 H new ATOM 0 HA2 GLY A 15 3.278 -3.180 1.043 1.00 72.33 H new ATOM 0 HA3 GLY A 15 2.093 -3.441 2.308 1.00 72.33 H new ATOM 246 N LEU A 16 1.497 -5.945 0.730 1.00 4.24 N ATOM 247 CA LEU A 16 1.653 -7.354 0.364 1.00 21.01 C ATOM 248 C LEU A 16 2.670 -7.525 -0.782 1.00 3.25 C ATOM 249 O LEU A 16 3.558 -8.368 -0.665 1.00 24.44 O ATOM 250 CB LEU A 16 0.273 -7.960 0.039 1.00 62.24 C ATOM 251 CG LEU A 16 -0.506 -8.331 1.321 1.00 43.22 C ATOM 252 CD1 LEU A 16 -2.021 -8.327 1.092 1.00 74.12 C ATOM 253 CD2 LEU A 16 -0.098 -9.713 1.844 1.00 13.34 C ATOM 0 H LEU A 16 0.541 -5.600 0.647 1.00 4.24 H new ATOM 0 HA LEU A 16 2.064 -7.905 1.210 1.00 21.01 H new ATOM 0 HB2 LEU A 16 -0.308 -7.248 -0.546 1.00 62.24 H new ATOM 0 HB3 LEU A 16 0.402 -8.849 -0.578 1.00 62.24 H new ATOM 0 HG LEU A 16 -0.253 -7.569 2.059 1.00 43.22 H new ATOM 0 HD11 LEU A 16 -2.530 -8.593 2.019 1.00 74.12 H new ATOM 0 HD12 LEU A 16 -2.339 -7.333 0.776 1.00 74.12 H new ATOM 0 HD13 LEU A 16 -2.274 -9.052 0.318 1.00 74.12 H new ATOM 0 HD21 LEU A 16 -0.665 -9.942 2.746 1.00 13.34 H new ATOM 0 HD22 LEU A 16 -0.306 -10.466 1.084 1.00 13.34 H new ATOM 0 HD23 LEU A 16 0.967 -9.715 2.075 1.00 13.34 H new ATOM 265 N TRP A 17 2.601 -6.708 -1.845 1.00 74.04 N ATOM 266 CA TRP A 17 3.633 -6.655 -2.894 1.00 24.44 C ATOM 267 C TRP A 17 4.965 -6.157 -2.326 1.00 45.31 C ATOM 268 O TRP A 17 5.998 -6.771 -2.569 1.00 5.53 O ATOM 269 CB TRP A 17 3.200 -5.760 -4.070 1.00 54.32 C ATOM 270 CG TRP A 17 4.259 -5.484 -5.107 1.00 62.41 C ATOM 271 CD1 TRP A 17 4.611 -6.308 -6.119 1.00 12.43 C ATOM 272 CD2 TRP A 17 5.098 -4.297 -5.281 1.00 24.31 C ATOM 273 NE1 TRP A 17 5.625 -5.740 -6.864 1.00 62.10 N ATOM 274 CE2 TRP A 17 5.946 -4.484 -6.413 1.00 2.43 C ATOM 275 CE3 TRP A 17 5.189 -3.051 -4.631 1.00 13.11 C ATOM 276 CZ2 TRP A 17 6.836 -3.497 -6.870 1.00 64.13 C ATOM 277 CZ3 TRP A 17 6.014 -2.023 -5.132 1.00 33.03 C ATOM 278 CH2 TRP A 17 6.854 -2.246 -6.237 1.00 30.25 C ATOM 0 H TRP A 17 1.826 -6.064 -2.002 1.00 74.04 H new ATOM 0 HA TRP A 17 3.764 -7.671 -3.267 1.00 24.44 H new ATOM 0 HB2 TRP A 17 2.348 -6.227 -4.563 1.00 54.32 H new ATOM 0 HB3 TRP A 17 2.853 -4.808 -3.669 1.00 54.32 H new ATOM 0 HD1 TRP A 17 4.164 -7.271 -6.316 1.00 12.43 H new ATOM 0 HE1 TRP A 17 6.080 -6.198 -7.654 1.00 62.10 H new ATOM 0 HE3 TRP A 17 4.616 -2.880 -3.732 1.00 13.11 H new ATOM 0 HZ2 TRP A 17 7.498 -3.700 -7.699 1.00 64.13 H new ATOM 0 HZ3 TRP A 17 6.000 -1.051 -4.661 1.00 33.03 H new ATOM 0 HH2 TRP A 17 7.506 -1.463 -6.594 1.00 30.25 H new ATOM 289 N VAL A 18 4.960 -5.062 -1.560 1.00 41.21 N ATOM 290 CA VAL A 18 6.194 -4.454 -1.060 1.00 31.35 C ATOM 291 C VAL A 18 7.004 -5.470 -0.252 1.00 52.54 C ATOM 292 O VAL A 18 8.191 -5.665 -0.506 1.00 51.44 O ATOM 293 CB VAL A 18 5.885 -3.242 -0.178 1.00 64.23 C ATOM 294 CG1 VAL A 18 7.180 -2.600 0.284 1.00 43.30 C ATOM 295 CG2 VAL A 18 5.030 -2.167 -0.850 1.00 51.42 C ATOM 0 H VAL A 18 4.110 -4.577 -1.272 1.00 41.21 H new ATOM 0 HA VAL A 18 6.777 -4.129 -1.922 1.00 31.35 H new ATOM 0 HB VAL A 18 5.303 -3.634 0.656 1.00 64.23 H new ATOM 0 HG11 VAL A 18 6.955 -1.738 0.912 1.00 43.30 H new ATOM 0 HG12 VAL A 18 7.761 -3.323 0.856 1.00 43.30 H new ATOM 0 HG13 VAL A 18 7.756 -2.277 -0.583 1.00 43.30 H new ATOM 0 HG21 VAL A 18 4.861 -1.347 -0.152 1.00 51.42 H new ATOM 0 HG22 VAL A 18 5.546 -1.791 -1.733 1.00 51.42 H new ATOM 0 HG23 VAL A 18 4.072 -2.595 -1.144 1.00 51.42 H new ATOM 305 N ALA A 19 6.364 -6.083 0.745 1.00 65.04 N ATOM 306 CA ALA A 19 6.979 -7.099 1.576 1.00 70.30 C ATOM 307 C ALA A 19 7.529 -8.239 0.709 1.00 64.32 C ATOM 308 O ALA A 19 8.657 -8.667 0.936 1.00 21.23 O ATOM 309 CB ALA A 19 5.954 -7.573 2.606 1.00 22.45 C ATOM 0 H ALA A 19 5.396 -5.881 0.994 1.00 65.04 H new ATOM 0 HA ALA A 19 7.834 -6.690 2.115 1.00 70.30 H new ATOM 0 HB1 ALA A 19 6.402 -8.338 3.240 1.00 22.45 H new ATOM 0 HB2 ALA A 19 5.641 -6.730 3.222 1.00 22.45 H new ATOM 0 HB3 ALA A 19 5.087 -7.989 2.092 1.00 22.45 H new ATOM 315 N GLU A 20 6.797 -8.681 -0.318 1.00 65.32 N ATOM 316 CA GLU A 20 7.314 -9.661 -1.270 1.00 64.24 C ATOM 317 C GLU A 20 8.605 -9.161 -1.943 1.00 73.20 C ATOM 318 O GLU A 20 9.580 -9.906 -1.970 1.00 22.15 O ATOM 319 CB GLU A 20 6.202 -10.061 -2.257 1.00 24.23 C ATOM 320 CG GLU A 20 6.728 -10.687 -3.552 1.00 51.13 C ATOM 321 CD GLU A 20 5.607 -11.356 -4.341 1.00 5.21 C ATOM 322 OE1 GLU A 20 5.251 -12.513 -4.008 1.00 1.53 O ATOM 323 OE2 GLU A 20 5.093 -10.750 -5.306 1.00 14.53 O ATOM 0 H GLU A 20 5.843 -8.373 -0.509 1.00 65.32 H new ATOM 0 HA GLU A 20 7.607 -10.569 -0.744 1.00 64.24 H new ATOM 0 HB2 GLU A 20 5.531 -10.767 -1.768 1.00 24.23 H new ATOM 0 HB3 GLU A 20 5.612 -9.178 -2.503 1.00 24.23 H new ATOM 0 HG2 GLU A 20 7.198 -9.918 -4.165 1.00 51.13 H new ATOM 0 HG3 GLU A 20 7.498 -11.422 -3.316 1.00 51.13 H new ATOM 330 N VAL A 21 8.676 -7.910 -2.410 1.00 50.21 N ATOM 331 CA VAL A 21 9.912 -7.345 -2.968 1.00 43.41 C ATOM 332 C VAL A 21 11.035 -7.300 -1.911 1.00 54.22 C ATOM 333 O VAL A 21 12.207 -7.498 -2.247 1.00 13.25 O ATOM 334 CB VAL A 21 9.634 -5.960 -3.596 1.00 22.41 C ATOM 335 CG1 VAL A 21 10.894 -5.278 -4.152 1.00 21.05 C ATOM 336 CG2 VAL A 21 8.625 -6.050 -4.752 1.00 24.31 C ATOM 0 H VAL A 21 7.886 -7.264 -2.413 1.00 50.21 H new ATOM 0 HA VAL A 21 10.267 -7.999 -3.765 1.00 43.41 H new ATOM 0 HB VAL A 21 9.235 -5.366 -2.773 1.00 22.41 H new ATOM 0 HG11 VAL A 21 10.626 -4.311 -4.578 1.00 21.05 H new ATOM 0 HG12 VAL A 21 11.615 -5.133 -3.347 1.00 21.05 H new ATOM 0 HG13 VAL A 21 11.336 -5.905 -4.926 1.00 21.05 H new ATOM 0 HG21 VAL A 21 8.457 -5.056 -5.166 1.00 24.31 H new ATOM 0 HG22 VAL A 21 9.019 -6.705 -5.529 1.00 24.31 H new ATOM 0 HG23 VAL A 21 7.682 -6.453 -4.382 1.00 24.31 H new ATOM 346 N LEU A 22 10.714 -7.087 -0.631 1.00 32.11 N ATOM 347 CA LEU A 22 11.677 -7.179 0.468 1.00 41.43 C ATOM 348 C LEU A 22 12.147 -8.617 0.712 1.00 10.54 C ATOM 349 O LEU A 22 13.080 -8.803 1.486 1.00 45.44 O ATOM 350 CB LEU A 22 11.103 -6.582 1.774 1.00 65.41 C ATOM 351 CG LEU A 22 11.057 -5.046 1.815 1.00 54.24 C ATOM 352 CD1 LEU A 22 10.267 -4.577 3.042 1.00 45.33 C ATOM 353 CD2 LEU A 22 12.475 -4.464 1.861 1.00 2.44 C ATOM 0 H LEU A 22 9.771 -6.844 -0.327 1.00 32.11 H new ATOM 0 HA LEU A 22 12.544 -6.592 0.164 1.00 41.43 H new ATOM 0 HB2 LEU A 22 10.093 -6.966 1.919 1.00 65.41 H new ATOM 0 HB3 LEU A 22 11.702 -6.936 2.613 1.00 65.41 H new ATOM 0 HG LEU A 22 10.563 -4.693 0.910 1.00 54.24 H new ATOM 0 HD11 LEU A 22 10.240 -3.488 3.063 1.00 45.33 H new ATOM 0 HD12 LEU A 22 9.250 -4.964 2.990 1.00 45.33 H new ATOM 0 HD13 LEU A 22 10.749 -4.945 3.948 1.00 45.33 H new ATOM 0 HD21 LEU A 22 12.421 -3.376 1.890 1.00 2.44 H new ATOM 0 HD22 LEU A 22 12.988 -4.825 2.752 1.00 2.44 H new ATOM 0 HD23 LEU A 22 13.026 -4.777 0.974 1.00 2.44 H new ATOM 365 N GLY A 23 11.537 -9.629 0.091 1.00 61.31 N ATOM 366 CA GLY A 23 11.792 -11.029 0.399 1.00 30.01 C ATOM 367 C GLY A 23 11.166 -11.444 1.729 1.00 51.21 C ATOM 368 O GLY A 23 11.478 -12.522 2.244 1.00 23.35 O ATOM 0 H GLY A 23 10.846 -9.493 -0.647 1.00 61.31 H new ATOM 0 HA2 GLY A 23 11.394 -11.655 -0.400 1.00 30.01 H new ATOM 0 HA3 GLY A 23 12.867 -11.203 0.434 1.00 30.01 H new ATOM 372 N LYS A 24 10.311 -10.604 2.326 1.00 34.24 N ATOM 373 CA LYS A 24 9.403 -11.042 3.377 1.00 1.32 C ATOM 374 C LYS A 24 8.388 -11.988 2.757 1.00 31.23 C ATOM 375 O LYS A 24 8.077 -11.927 1.568 1.00 43.34 O ATOM 376 CB LYS A 24 8.660 -9.861 4.001 1.00 2.44 C ATOM 377 CG LYS A 24 9.523 -8.975 4.900 1.00 40.13 C ATOM 378 CD LYS A 24 8.649 -7.865 5.501 1.00 5.25 C ATOM 379 CE LYS A 24 9.435 -7.172 6.620 1.00 73.11 C ATOM 380 NZ LYS A 24 8.546 -6.497 7.582 1.00 61.14 N ATOM 0 H LYS A 24 10.234 -9.614 2.093 1.00 34.24 H new ATOM 0 HA LYS A 24 9.980 -11.532 4.161 1.00 1.32 H new ATOM 0 HB2 LYS A 24 8.241 -9.249 3.203 1.00 2.44 H new ATOM 0 HB3 LYS A 24 7.822 -10.242 4.584 1.00 2.44 H new ATOM 0 HG2 LYS A 24 9.973 -9.571 5.694 1.00 40.13 H new ATOM 0 HG3 LYS A 24 10.341 -8.540 4.325 1.00 40.13 H new ATOM 0 HD2 LYS A 24 8.372 -7.144 4.732 1.00 5.25 H new ATOM 0 HD3 LYS A 24 7.723 -8.284 5.894 1.00 5.25 H new ATOM 0 HE2 LYS A 24 10.045 -7.908 7.144 1.00 73.11 H new ATOM 0 HE3 LYS A 24 10.119 -6.443 6.185 1.00 73.11 H new ATOM 0 HZ1 LYS A 24 9.106 -6.143 8.384 1.00 61.14 H new ATOM 0 HZ2 LYS A 24 8.070 -5.700 7.114 1.00 61.14 H new ATOM 0 HZ3 LYS A 24 7.834 -7.171 7.928 1.00 61.14 H new ATOM 394 N SER A 25 7.835 -12.832 3.606 1.00 15.32 N ATOM 395 CA SER A 25 6.914 -13.890 3.233 1.00 41.43 C ATOM 396 C SER A 25 6.290 -14.380 4.537 1.00 33.22 C ATOM 397 O SER A 25 6.519 -13.755 5.585 1.00 63.04 O ATOM 398 CB SER A 25 7.683 -14.976 2.455 1.00 31.32 C ATOM 399 OG SER A 25 8.915 -15.295 3.085 1.00 52.53 O ATOM 0 H SER A 25 8.020 -12.800 4.609 1.00 15.32 H new ATOM 0 HA SER A 25 6.117 -13.564 2.565 1.00 41.43 H new ATOM 0 HB2 SER A 25 7.069 -15.874 2.379 1.00 31.32 H new ATOM 0 HB3 SER A 25 7.872 -14.632 1.438 1.00 31.32 H new ATOM 0 HG SER A 25 9.377 -15.988 2.568 1.00 52.53 H new ATOM 405 N GLY A 26 5.559 -15.492 4.512 1.00 42.33 N ATOM 406 CA GLY A 26 4.992 -16.070 5.715 1.00 11.23 C ATOM 407 C GLY A 26 3.997 -15.084 6.303 1.00 64.22 C ATOM 408 O GLY A 26 3.020 -14.737 5.632 1.00 62.11 O ATOM 0 H GLY A 26 5.347 -16.011 3.660 1.00 42.33 H new ATOM 0 HA2 GLY A 26 4.498 -17.014 5.485 1.00 11.23 H new ATOM 0 HA3 GLY A 26 5.779 -16.289 6.437 1.00 11.23 H new ATOM 412 N ASP A 27 4.241 -14.618 7.523 1.00 21.05 N ATOM 413 CA ASP A 27 3.344 -13.681 8.196 1.00 60.34 C ATOM 414 C ASP A 27 3.956 -12.285 8.276 1.00 33.14 C ATOM 415 O ASP A 27 3.238 -11.308 8.457 1.00 11.25 O ATOM 416 CB ASP A 27 2.938 -14.227 9.569 1.00 11.23 C ATOM 417 CG ASP A 27 1.413 -14.311 9.696 1.00 14.35 C ATOM 418 OD1 ASP A 27 0.726 -13.277 9.520 1.00 73.34 O ATOM 419 OD2 ASP A 27 0.880 -15.428 9.904 1.00 34.41 O ATOM 0 H ASP A 27 5.061 -14.876 8.072 1.00 21.05 H new ATOM 0 HA ASP A 27 2.434 -13.580 7.604 1.00 60.34 H new ATOM 0 HB2 ASP A 27 3.374 -15.215 9.715 1.00 11.23 H new ATOM 0 HB3 ASP A 27 3.337 -13.584 10.353 1.00 11.23 H new ATOM 424 N GLU A 28 5.265 -12.146 8.056 1.00 51.12 N ATOM 425 CA GLU A 28 5.927 -10.860 7.872 1.00 64.21 C ATOM 426 C GLU A 28 5.288 -10.085 6.716 1.00 3.31 C ATOM 427 O GLU A 28 5.086 -8.873 6.802 1.00 51.31 O ATOM 428 CB GLU A 28 7.416 -11.110 7.582 1.00 35.14 C ATOM 429 CG GLU A 28 8.334 -10.888 8.783 1.00 41.14 C ATOM 430 CD GLU A 28 8.504 -9.411 9.185 1.00 74.00 C ATOM 431 OE1 GLU A 28 7.545 -8.611 9.044 1.00 22.34 O ATOM 432 OE2 GLU A 28 9.620 -8.996 9.572 1.00 15.21 O ATOM 0 H GLU A 28 5.903 -12.940 8.000 1.00 51.12 H new ATOM 0 HA GLU A 28 5.819 -10.263 8.778 1.00 64.21 H new ATOM 0 HB2 GLU A 28 7.539 -12.134 7.229 1.00 35.14 H new ATOM 0 HB3 GLU A 28 7.732 -10.454 6.771 1.00 35.14 H new ATOM 0 HG2 GLU A 28 7.939 -11.441 9.635 1.00 41.14 H new ATOM 0 HG3 GLU A 28 9.315 -11.307 8.558 1.00 41.14 H new ATOM 439 N ALA A 29 4.938 -10.789 5.635 1.00 63.20 N ATOM 440 CA ALA A 29 4.256 -10.193 4.498 1.00 74.03 C ATOM 441 C ALA A 29 2.787 -9.838 4.781 1.00 64.12 C ATOM 442 O ALA A 29 2.149 -9.234 3.920 1.00 42.31 O ATOM 443 CB ALA A 29 4.393 -11.107 3.277 1.00 43.50 C ATOM 0 H ALA A 29 5.122 -11.787 5.530 1.00 63.20 H new ATOM 0 HA ALA A 29 4.743 -9.240 4.291 1.00 74.03 H new ATOM 0 HB1 ALA A 29 3.881 -10.657 2.427 1.00 43.50 H new ATOM 0 HB2 ALA A 29 5.448 -11.238 3.037 1.00 43.50 H new ATOM 0 HB3 ALA A 29 3.948 -12.077 3.497 1.00 43.50 H new ATOM 449 N ASN A 30 2.263 -10.118 5.976 1.00 20.03 N ATOM 450 CA ASN A 30 0.974 -9.608 6.451 1.00 74.23 C ATOM 451 C ASN A 30 1.184 -8.519 7.493 1.00 32.44 C ATOM 452 O ASN A 30 0.435 -7.540 7.521 1.00 32.25 O ATOM 453 CB ASN A 30 0.105 -10.735 7.039 1.00 43.33 C ATOM 454 CG ASN A 30 -0.593 -11.548 5.963 1.00 74.32 C ATOM 455 OD1 ASN A 30 -1.230 -10.980 5.079 1.00 72.41 O ATOM 456 ND2 ASN A 30 -0.531 -12.865 6.023 1.00 51.30 N ATOM 0 H ASN A 30 2.732 -10.718 6.655 1.00 20.03 H new ATOM 0 HA ASN A 30 0.450 -9.187 5.593 1.00 74.23 H new ATOM 0 HB2 ASN A 30 0.729 -11.395 7.642 1.00 43.33 H new ATOM 0 HB3 ASN A 30 -0.641 -10.304 7.707 1.00 43.33 H new ATOM 0 HD21 ASN A 30 -1.017 -13.431 5.327 1.00 51.30 H new ATOM 0 HD22 ASN A 30 0.003 -13.317 6.765 1.00 51.30 H new ATOM 463 N ALA A 31 2.209 -8.663 8.328 1.00 53.53 N ATOM 464 CA ALA A 31 2.601 -7.713 9.347 1.00 13.52 C ATOM 465 C ALA A 31 2.931 -6.366 8.712 1.00 64.20 C ATOM 466 O ALA A 31 2.366 -5.346 9.112 1.00 54.21 O ATOM 467 CB ALA A 31 3.795 -8.283 10.114 1.00 15.23 C ATOM 0 H ALA A 31 2.812 -9.485 8.306 1.00 53.53 H new ATOM 0 HA ALA A 31 1.781 -7.548 10.046 1.00 13.52 H new ATOM 0 HB1 ALA A 31 4.102 -7.577 10.886 1.00 15.23 H new ATOM 0 HB2 ALA A 31 3.512 -9.228 10.578 1.00 15.23 H new ATOM 0 HB3 ALA A 31 4.623 -8.450 9.426 1.00 15.23 H new ATOM 473 N TYR A 32 3.821 -6.350 7.718 1.00 34.12 N ATOM 474 CA TYR A 32 4.279 -5.122 7.081 1.00 51.30 C ATOM 475 C TYR A 32 3.094 -4.331 6.518 1.00 11.11 C ATOM 476 O TYR A 32 3.038 -3.100 6.622 1.00 22.21 O ATOM 477 CB TYR A 32 5.285 -5.472 5.980 1.00 33.24 C ATOM 478 CG TYR A 32 5.684 -4.266 5.150 1.00 3.14 C ATOM 479 CD1 TYR A 32 6.767 -3.456 5.534 1.00 10.51 C ATOM 480 CD2 TYR A 32 4.895 -3.883 4.051 1.00 63.04 C ATOM 481 CE1 TYR A 32 7.059 -2.279 4.828 1.00 63.10 C ATOM 482 CE2 TYR A 32 5.146 -2.683 3.367 1.00 34.33 C ATOM 483 CZ TYR A 32 6.240 -1.874 3.754 1.00 50.20 C ATOM 484 OH TYR A 32 6.495 -0.697 3.121 1.00 1.11 O ATOM 0 H TYR A 32 4.244 -7.195 7.333 1.00 34.12 H new ATOM 0 HA TYR A 32 4.770 -4.490 7.821 1.00 51.30 H new ATOM 0 HB2 TYR A 32 6.176 -5.908 6.432 1.00 33.24 H new ATOM 0 HB3 TYR A 32 4.854 -6.231 5.327 1.00 33.24 H new ATOM 0 HD1 TYR A 32 7.378 -3.741 6.378 1.00 10.51 H new ATOM 0 HD2 TYR A 32 4.085 -4.521 3.729 1.00 63.04 H new ATOM 0 HE1 TYR A 32 7.914 -1.681 5.108 1.00 63.10 H new ATOM 0 HE2 TYR A 32 4.508 -2.379 2.550 1.00 34.33 H new ATOM 0 HH TYR A 32 7.455 -0.504 3.164 1.00 1.11 H new ATOM 494 N ALA A 33 2.111 -5.038 5.950 1.00 11.31 N ATOM 495 CA ALA A 33 0.943 -4.425 5.345 1.00 72.31 C ATOM 496 C ALA A 33 0.083 -3.662 6.360 1.00 63.33 C ATOM 497 O ALA A 33 -0.812 -2.944 5.933 1.00 54.52 O ATOM 498 CB ALA A 33 0.086 -5.483 4.634 1.00 73.30 C ATOM 0 H ALA A 33 2.112 -6.057 5.901 1.00 11.31 H new ATOM 0 HA ALA A 33 1.313 -3.701 4.619 1.00 72.31 H new ATOM 0 HB1 ALA A 33 -0.785 -5.005 4.186 1.00 73.30 H new ATOM 0 HB2 ALA A 33 0.676 -5.965 3.854 1.00 73.30 H new ATOM 0 HB3 ALA A 33 -0.242 -6.231 5.356 1.00 73.30 H new ATOM 504 N ALA A 34 0.294 -3.792 7.675 1.00 43.23 N ATOM 505 CA ALA A 34 -0.355 -2.906 8.639 1.00 3.32 C ATOM 506 C ALA A 34 0.354 -1.553 8.782 1.00 51.33 C ATOM 507 O ALA A 34 -0.313 -0.549 9.047 1.00 44.33 O ATOM 508 CB ALA A 34 -0.423 -3.586 10.001 1.00 75.33 C ATOM 0 H ALA A 34 0.904 -4.496 8.090 1.00 43.23 H new ATOM 0 HA ALA A 34 -1.357 -2.708 8.258 1.00 3.32 H new ATOM 0 HB1 ALA A 34 -0.908 -2.921 10.716 1.00 75.33 H new ATOM 0 HB2 ALA A 34 -0.996 -4.510 9.918 1.00 75.33 H new ATOM 0 HB3 ALA A 34 0.586 -3.814 10.344 1.00 75.33 H new ATOM 514 N GLU A 35 1.679 -1.497 8.612 1.00 14.15 N ATOM 515 CA GLU A 35 2.425 -0.253 8.781 1.00 11.52 C ATOM 516 C GLU A 35 2.120 0.700 7.634 1.00 51.54 C ATOM 517 O GLU A 35 1.853 1.876 7.844 1.00 10.12 O ATOM 518 CB GLU A 35 3.938 -0.477 8.778 1.00 22.12 C ATOM 519 CG GLU A 35 4.473 -1.442 9.829 1.00 45.43 C ATOM 520 CD GLU A 35 5.930 -1.116 10.155 1.00 70.43 C ATOM 521 OE1 GLU A 35 6.728 -0.870 9.223 1.00 2.24 O ATOM 522 OE2 GLU A 35 6.264 -1.059 11.359 1.00 70.02 O ATOM 0 H GLU A 35 2.254 -2.300 8.358 1.00 14.15 H new ATOM 0 HA GLU A 35 2.118 0.158 9.743 1.00 11.52 H new ATOM 0 HB2 GLU A 35 4.229 -0.845 7.794 1.00 22.12 H new ATOM 0 HB3 GLU A 35 4.428 0.487 8.915 1.00 22.12 H new ATOM 0 HG2 GLU A 35 3.868 -1.378 10.733 1.00 45.43 H new ATOM 0 HG3 GLU A 35 4.395 -2.467 9.465 1.00 45.43 H new ATOM 529 N VAL A 36 2.168 0.182 6.406 1.00 64.04 N ATOM 530 CA VAL A 36 1.986 0.930 5.162 1.00 22.23 C ATOM 531 C VAL A 36 0.600 1.610 5.089 1.00 50.51 C ATOM 532 O VAL A 36 0.382 2.497 4.267 1.00 11.12 O ATOM 533 CB VAL A 36 2.248 -0.050 3.992 1.00 65.13 C ATOM 534 CG1 VAL A 36 1.190 -1.119 3.935 1.00 45.52 C ATOM 535 CG2 VAL A 36 2.422 0.632 2.631 1.00 5.44 C ATOM 0 H VAL A 36 2.342 -0.810 6.245 1.00 64.04 H new ATOM 0 HA VAL A 36 2.694 1.757 5.106 1.00 22.23 H new ATOM 0 HB VAL A 36 3.209 -0.516 4.208 1.00 65.13 H new ATOM 0 HG11 VAL A 36 1.398 -1.793 3.104 1.00 45.52 H new ATOM 0 HG12 VAL A 36 1.191 -1.682 4.868 1.00 45.52 H new ATOM 0 HG13 VAL A 36 0.213 -0.657 3.791 1.00 45.52 H new ATOM 0 HG21 VAL A 36 2.602 -0.123 1.866 1.00 5.44 H new ATOM 0 HG22 VAL A 36 1.518 1.190 2.385 1.00 5.44 H new ATOM 0 HG23 VAL A 36 3.270 1.315 2.672 1.00 5.44 H new ATOM 545 N VAL A 37 -0.345 1.194 5.933 1.00 74.41 N ATOM 546 CA VAL A 37 -1.714 1.695 6.014 1.00 2.54 C ATOM 547 C VAL A 37 -1.804 2.937 6.906 1.00 23.13 C ATOM 548 O VAL A 37 -2.776 3.688 6.815 1.00 62.22 O ATOM 549 CB VAL A 37 -2.576 0.535 6.550 1.00 24.40 C ATOM 550 CG1 VAL A 37 -3.995 0.918 6.976 1.00 61.11 C ATOM 551 CG2 VAL A 37 -2.636 -0.587 5.508 1.00 23.32 C ATOM 0 H VAL A 37 -0.164 0.458 6.615 1.00 74.41 H new ATOM 0 HA VAL A 37 -2.072 2.014 5.035 1.00 2.54 H new ATOM 0 HB VAL A 37 -2.080 0.205 7.463 1.00 24.40 H new ATOM 0 HG11 VAL A 37 -4.518 0.032 7.337 1.00 61.11 H new ATOM 0 HG12 VAL A 37 -3.948 1.661 7.772 1.00 61.11 H new ATOM 0 HG13 VAL A 37 -4.531 1.333 6.123 1.00 61.11 H new ATOM 0 HG21 VAL A 37 -3.246 -1.406 5.890 1.00 23.32 H new ATOM 0 HG22 VAL A 37 -3.076 -0.205 4.587 1.00 23.32 H new ATOM 0 HG23 VAL A 37 -1.628 -0.949 5.305 1.00 23.32 H new ATOM 561 N LYS A 38 -0.832 3.116 7.795 1.00 10.45 N ATOM 562 CA LYS A 38 -0.680 4.296 8.628 1.00 42.22 C ATOM 563 C LYS A 38 -0.138 5.457 7.788 1.00 45.24 C ATOM 564 O LYS A 38 0.298 5.248 6.652 1.00 51.50 O ATOM 565 CB LYS A 38 0.231 3.911 9.808 1.00 30.15 C ATOM 566 CG LYS A 38 -0.465 4.211 11.136 1.00 25.21 C ATOM 567 CD LYS A 38 0.355 3.809 12.370 1.00 64.20 C ATOM 568 CE LYS A 38 1.622 4.652 12.525 1.00 74.31 C ATOM 569 NZ LYS A 38 2.224 4.497 13.863 1.00 25.35 N ATOM 0 H LYS A 38 -0.106 2.418 7.958 1.00 10.45 H new ATOM 0 HA LYS A 38 -1.632 4.641 9.031 1.00 42.22 H new ATOM 0 HB2 LYS A 38 0.482 2.852 9.752 1.00 30.15 H new ATOM 0 HB3 LYS A 38 1.168 4.464 9.748 1.00 30.15 H new ATOM 0 HG2 LYS A 38 -0.683 5.278 11.188 1.00 25.21 H new ATOM 0 HG3 LYS A 38 -1.421 3.688 11.161 1.00 25.21 H new ATOM 0 HD2 LYS A 38 -0.261 3.915 13.263 1.00 64.20 H new ATOM 0 HD3 LYS A 38 0.628 2.757 12.295 1.00 64.20 H new ATOM 0 HE2 LYS A 38 2.347 4.362 11.765 1.00 74.31 H new ATOM 0 HE3 LYS A 38 1.383 5.702 12.353 1.00 74.31 H new ATOM 0 HZ1 LYS A 38 3.080 5.084 13.929 1.00 25.35 H new ATOM 0 HZ2 LYS A 38 1.542 4.798 14.588 1.00 25.35 H new ATOM 0 HZ3 LYS A 38 2.475 3.500 14.017 1.00 25.35 H new ATOM 583 N ALA A 39 -0.155 6.672 8.343 1.00 50.33 N ATOM 584 CA ALA A 39 0.078 7.963 7.684 1.00 53.11 C ATOM 585 C ALA A 39 -0.942 8.308 6.585 1.00 72.43 C ATOM 586 O ALA A 39 -1.397 9.448 6.542 1.00 73.33 O ATOM 587 CB ALA A 39 1.521 8.098 7.188 1.00 70.12 C ATOM 0 H ALA A 39 -0.346 6.789 9.338 1.00 50.33 H new ATOM 0 HA ALA A 39 -0.081 8.711 8.461 1.00 53.11 H new ATOM 0 HB1 ALA A 39 1.651 9.067 6.707 1.00 70.12 H new ATOM 0 HB2 ALA A 39 2.205 8.018 8.033 1.00 70.12 H new ATOM 0 HB3 ALA A 39 1.735 7.305 6.471 1.00 70.12 H new ATOM 593 N ASP A 40 -1.369 7.337 5.777 1.00 41.52 N ATOM 594 CA ASP A 40 -2.346 7.393 4.677 1.00 72.01 C ATOM 595 C ASP A 40 -3.716 7.963 5.060 1.00 5.53 C ATOM 596 O ASP A 40 -4.537 8.265 4.197 1.00 63.32 O ATOM 597 CB ASP A 40 -2.529 5.948 4.213 1.00 71.33 C ATOM 598 CG ASP A 40 -3.509 5.730 3.062 1.00 22.11 C ATOM 599 OD1 ASP A 40 -3.194 6.176 1.932 1.00 14.50 O ATOM 600 OD2 ASP A 40 -4.409 4.879 3.255 1.00 61.24 O ATOM 0 H ASP A 40 -1.004 6.391 5.884 1.00 41.52 H new ATOM 0 HA ASP A 40 -1.960 8.067 3.912 1.00 72.01 H new ATOM 0 HB2 ASP A 40 -1.556 5.558 3.914 1.00 71.33 H new ATOM 0 HB3 ASP A 40 -2.862 5.354 5.064 1.00 71.33 H new ATOM 605 N PHE A 41 -3.976 8.113 6.359 1.00 74.45 N ATOM 606 CA PHE A 41 -5.226 8.609 6.913 1.00 33.24 C ATOM 607 C PHE A 41 -5.036 9.824 7.826 1.00 21.10 C ATOM 608 O PHE A 41 -5.956 10.173 8.572 1.00 12.42 O ATOM 609 CB PHE A 41 -5.982 7.446 7.571 1.00 63.23 C ATOM 610 CG PHE A 41 -5.225 6.582 8.561 1.00 62.31 C ATOM 611 CD1 PHE A 41 -4.347 7.153 9.496 1.00 50.24 C ATOM 612 CD2 PHE A 41 -5.429 5.191 8.570 1.00 62.33 C ATOM 613 CE1 PHE A 41 -3.687 6.348 10.433 1.00 4.20 C ATOM 614 CE2 PHE A 41 -4.779 4.385 9.521 1.00 34.23 C ATOM 615 CZ PHE A 41 -3.922 4.966 10.468 1.00 23.43 C ATOM 0 H PHE A 41 -3.291 7.882 7.079 1.00 74.45 H new ATOM 0 HA PHE A 41 -5.845 8.994 6.102 1.00 33.24 H new ATOM 0 HB2 PHE A 41 -6.852 7.858 8.083 1.00 63.23 H new ATOM 0 HB3 PHE A 41 -6.356 6.798 6.778 1.00 63.23 H new ATOM 0 HD1 PHE A 41 -4.179 8.220 9.493 1.00 50.24 H new ATOM 0 HD2 PHE A 41 -6.088 4.740 7.843 1.00 62.33 H new ATOM 0 HE1 PHE A 41 -2.994 6.794 11.132 1.00 4.20 H new ATOM 0 HE2 PHE A 41 -4.940 3.317 9.523 1.00 34.23 H new ATOM 0 HZ PHE A 41 -3.446 4.353 11.219 1.00 23.43 H new ATOM 625 N GLU A 42 -3.839 10.415 7.860 1.00 62.35 N ATOM 626 CA GLU A 42 -3.566 11.562 8.709 1.00 23.14 C ATOM 627 C GLU A 42 -2.600 12.579 8.105 1.00 24.45 C ATOM 628 O GLU A 42 -2.737 13.764 8.414 1.00 74.14 O ATOM 629 CB GLU A 42 -3.136 11.111 10.111 1.00 43.40 C ATOM 630 CG GLU A 42 -1.860 10.261 10.169 1.00 51.20 C ATOM 631 CD GLU A 42 -1.457 10.042 11.628 1.00 34.31 C ATOM 632 OE1 GLU A 42 -0.885 10.973 12.239 1.00 43.32 O ATOM 633 OE2 GLU A 42 -1.818 9.018 12.247 1.00 41.21 O ATOM 0 H GLU A 42 -3.042 10.110 7.302 1.00 62.35 H new ATOM 0 HA GLU A 42 -4.508 12.104 8.795 1.00 23.14 H new ATOM 0 HB2 GLU A 42 -2.990 11.996 10.730 1.00 43.40 H new ATOM 0 HB3 GLU A 42 -3.952 10.542 10.557 1.00 43.40 H new ATOM 0 HG2 GLU A 42 -2.027 9.302 9.679 1.00 51.20 H new ATOM 0 HG3 GLU A 42 -1.054 10.759 9.629 1.00 51.20 H new ATOM 640 N GLU A 43 -1.678 12.183 7.228 1.00 43.12 N ATOM 641 CA GLU A 43 -0.978 13.076 6.330 1.00 21.03 C ATOM 642 C GLU A 43 -1.847 13.214 5.054 1.00 25.41 C ATOM 643 O GLU A 43 -3.061 12.990 5.105 1.00 25.14 O ATOM 644 CB GLU A 43 0.437 12.491 6.208 1.00 33.33 C ATOM 645 CG GLU A 43 1.522 13.546 5.980 1.00 30.34 C ATOM 646 CD GLU A 43 1.791 13.855 4.508 1.00 24.21 C ATOM 647 OE1 GLU A 43 1.325 13.094 3.637 1.00 25.45 O ATOM 648 OE2 GLU A 43 2.434 14.898 4.249 1.00 44.30 O ATOM 0 H GLU A 43 -1.397 11.208 7.127 1.00 43.12 H new ATOM 0 HA GLU A 43 -0.838 14.108 6.650 1.00 21.03 H new ATOM 0 HB2 GLU A 43 0.670 11.934 7.116 1.00 33.33 H new ATOM 0 HB3 GLU A 43 0.456 11.779 5.383 1.00 33.33 H new ATOM 0 HG2 GLU A 43 1.231 14.466 6.486 1.00 30.34 H new ATOM 0 HG3 GLU A 43 2.448 13.206 6.444 1.00 30.34 H new ATOM 655 N ALA A 44 -1.319 13.718 3.937 1.00 42.11 N ATOM 656 CA ALA A 44 -2.025 13.802 2.659 1.00 74.40 C ATOM 657 C ALA A 44 -2.288 12.396 2.102 1.00 22.05 C ATOM 658 O ALA A 44 -1.915 11.396 2.716 1.00 70.31 O ATOM 659 CB ALA A 44 -1.202 14.641 1.678 1.00 51.31 C ATOM 0 H ALA A 44 -0.369 14.087 3.896 1.00 42.11 H new ATOM 0 HA ALA A 44 -2.991 14.286 2.807 1.00 74.40 H new ATOM 0 HB1 ALA A 44 -1.727 14.705 0.725 1.00 51.31 H new ATOM 0 HB2 ALA A 44 -1.063 15.643 2.084 1.00 51.31 H new ATOM 0 HB3 ALA A 44 -0.229 14.173 1.526 1.00 51.31 H new ATOM 665 N GLY A 45 -2.881 12.305 0.910 1.00 74.23 N ATOM 666 CA GLY A 45 -3.192 11.022 0.286 1.00 2.20 C ATOM 667 C GLY A 45 -1.966 10.169 -0.050 1.00 63.11 C ATOM 668 O GLY A 45 -2.120 8.977 -0.300 1.00 50.52 O ATOM 0 H GLY A 45 -3.157 13.115 0.355 1.00 74.23 H new ATOM 0 HA2 GLY A 45 -3.842 10.455 0.953 1.00 2.20 H new ATOM 0 HA3 GLY A 45 -3.755 11.204 -0.629 1.00 2.20 H new ATOM 672 N HIS A 46 -0.754 10.743 -0.090 1.00 62.40 N ATOM 673 CA HIS A 46 0.469 9.961 -0.287 1.00 63.33 C ATOM 674 C HIS A 46 1.784 10.670 0.092 1.00 14.41 C ATOM 675 O HIS A 46 2.859 10.077 -0.056 1.00 44.11 O ATOM 676 CB HIS A 46 0.522 9.485 -1.750 1.00 51.30 C ATOM 677 CG HIS A 46 0.338 10.566 -2.782 1.00 2.11 C ATOM 678 ND1 HIS A 46 1.063 11.733 -2.910 1.00 4.23 N ATOM 679 CD2 HIS A 46 -0.582 10.530 -3.792 1.00 62.14 C ATOM 680 CE1 HIS A 46 0.618 12.372 -3.998 1.00 14.25 C ATOM 681 NE2 HIS A 46 -0.379 11.675 -4.572 1.00 43.41 N ATOM 0 H HIS A 46 -0.598 11.746 0.012 1.00 62.40 H new ATOM 0 HA HIS A 46 0.405 9.125 0.409 1.00 63.33 H new ATOM 0 HB2 HIS A 46 1.482 8.999 -1.923 1.00 51.30 H new ATOM 0 HB3 HIS A 46 -0.249 8.729 -1.898 1.00 51.30 H new ATOM 0 HD1 HIS A 46 1.805 12.051 -2.287 1.00 4.23 H new ATOM 0 HD2 HIS A 46 -1.325 9.764 -3.957 1.00 62.14 H new ATOM 0 HE1 HIS A 46 1.004 13.312 -4.363 1.00 14.25 H new ATOM 689 N GLU A 47 1.753 11.922 0.561 1.00 71.21 N ATOM 690 CA GLU A 47 2.949 12.730 0.812 1.00 61.13 C ATOM 691 C GLU A 47 3.796 12.204 1.990 1.00 70.31 C ATOM 692 O GLU A 47 4.955 12.592 2.147 1.00 45.21 O ATOM 693 CB GLU A 47 2.573 14.224 0.912 1.00 24.13 C ATOM 694 CG GLU A 47 1.905 14.754 -0.367 1.00 74.43 C ATOM 695 CD GLU A 47 2.890 14.733 -1.526 1.00 53.10 C ATOM 696 OE1 GLU A 47 3.683 15.693 -1.653 1.00 13.55 O ATOM 697 OE2 GLU A 47 2.898 13.718 -2.264 1.00 5.55 O ATOM 0 H GLU A 47 0.884 12.408 0.780 1.00 71.21 H new ATOM 0 HA GLU A 47 3.616 12.632 -0.045 1.00 61.13 H new ATOM 0 HB2 GLU A 47 1.899 14.369 1.756 1.00 24.13 H new ATOM 0 HB3 GLU A 47 3.471 14.808 1.117 1.00 24.13 H new ATOM 0 HG2 GLU A 47 1.035 14.145 -0.610 1.00 74.43 H new ATOM 0 HG3 GLU A 47 1.547 15.770 -0.204 1.00 74.43 H new ATOM 704 N ASP A 48 3.333 11.180 2.706 1.00 4.21 N ATOM 705 CA ASP A 48 4.092 10.419 3.691 1.00 32.31 C ATOM 706 C ASP A 48 4.015 8.907 3.470 1.00 51.21 C ATOM 707 O ASP A 48 4.941 8.193 3.858 1.00 13.11 O ATOM 708 CB ASP A 48 3.696 10.848 5.113 1.00 14.12 C ATOM 709 CG ASP A 48 4.742 10.376 6.118 1.00 31.41 C ATOM 710 OD1 ASP A 48 5.931 10.731 5.933 1.00 11.33 O ATOM 711 OD2 ASP A 48 4.392 9.661 7.085 1.00 43.23 O ATOM 0 H ASP A 48 2.374 10.845 2.609 1.00 4.21 H new ATOM 0 HA ASP A 48 5.147 10.657 3.557 1.00 32.31 H new ATOM 0 HB2 ASP A 48 3.600 11.933 5.160 1.00 14.12 H new ATOM 0 HB3 ASP A 48 2.722 10.431 5.368 1.00 14.12 H new ATOM 716 N VAL A 49 2.976 8.413 2.787 1.00 61.31 N ATOM 717 CA VAL A 49 2.878 7.027 2.324 1.00 63.42 C ATOM 718 C VAL A 49 4.072 6.685 1.422 1.00 50.10 C ATOM 719 O VAL A 49 4.713 5.649 1.619 1.00 33.24 O ATOM 720 CB VAL A 49 1.533 6.790 1.595 1.00 64.01 C ATOM 721 CG1 VAL A 49 1.307 5.338 1.151 1.00 34.12 C ATOM 722 CG2 VAL A 49 0.342 7.155 2.486 1.00 33.01 C ATOM 0 H VAL A 49 2.165 8.978 2.537 1.00 61.31 H new ATOM 0 HA VAL A 49 2.906 6.363 3.188 1.00 63.42 H new ATOM 0 HB VAL A 49 1.598 7.429 0.715 1.00 64.01 H new ATOM 0 HG11 VAL A 49 0.343 5.257 0.649 1.00 34.12 H new ATOM 0 HG12 VAL A 49 2.100 5.040 0.465 1.00 34.12 H new ATOM 0 HG13 VAL A 49 1.318 4.685 2.024 1.00 34.12 H new ATOM 0 HG21 VAL A 49 -0.586 6.977 1.943 1.00 33.01 H new ATOM 0 HG22 VAL A 49 0.360 6.541 3.387 1.00 33.01 H new ATOM 0 HG23 VAL A 49 0.404 8.207 2.763 1.00 33.01 H new ATOM 732 N MET A 50 4.387 7.533 0.427 1.00 24.41 N ATOM 733 CA MET A 50 5.488 7.222 -0.483 1.00 65.44 C ATOM 734 C MET A 50 6.808 7.195 0.286 1.00 72.30 C ATOM 735 O MET A 50 7.546 6.225 0.179 1.00 24.22 O ATOM 736 CB MET A 50 5.550 8.084 -1.754 1.00 12.23 C ATOM 737 CG MET A 50 4.245 8.161 -2.547 1.00 44.13 C ATOM 738 SD MET A 50 3.710 6.670 -3.441 1.00 11.14 S ATOM 739 CE MET A 50 3.055 5.646 -2.096 1.00 33.01 C ATOM 0 H MET A 50 3.907 8.413 0.240 1.00 24.41 H new ATOM 0 HA MET A 50 5.289 6.225 -0.877 1.00 65.44 H new ATOM 0 HB2 MET A 50 5.848 9.095 -1.475 1.00 12.23 H new ATOM 0 HB3 MET A 50 6.330 7.689 -2.405 1.00 12.23 H new ATOM 0 HG2 MET A 50 3.449 8.442 -1.857 1.00 44.13 H new ATOM 0 HG3 MET A 50 4.340 8.970 -3.271 1.00 44.13 H new ATOM 0 HE1 MET A 50 2.271 4.995 -2.483 1.00 33.01 H new ATOM 0 HE2 MET A 50 3.857 5.038 -1.678 1.00 33.01 H new ATOM 0 HE3 MET A 50 2.643 6.288 -1.318 1.00 33.01 H new ATOM 749 N ARG A 51 7.107 8.196 1.110 1.00 2.15 N ATOM 750 CA ARG A 51 8.288 8.204 1.946 1.00 30.32 C ATOM 751 C ARG A 51 8.403 6.955 2.816 1.00 11.54 C ATOM 752 O ARG A 51 9.501 6.406 2.873 1.00 30.35 O ATOM 753 CB ARG A 51 8.310 9.489 2.769 1.00 21.02 C ATOM 754 CG ARG A 51 8.732 10.694 1.915 1.00 3.41 C ATOM 755 CD ARG A 51 9.413 11.789 2.749 1.00 31.21 C ATOM 756 NE ARG A 51 8.655 13.047 2.755 1.00 25.03 N ATOM 757 CZ ARG A 51 8.786 14.074 1.910 1.00 43.13 C ATOM 758 NH1 ARG A 51 9.537 13.970 0.808 1.00 33.15 N ATOM 759 NH2 ARG A 51 8.181 15.222 2.191 1.00 4.44 N ATOM 0 H ARG A 51 6.526 9.028 1.212 1.00 2.15 H new ATOM 0 HA ARG A 51 9.168 8.182 1.303 1.00 30.32 H new ATOM 0 HB2 ARG A 51 7.322 9.669 3.192 1.00 21.02 H new ATOM 0 HB3 ARG A 51 8.999 9.375 3.606 1.00 21.02 H new ATOM 0 HG2 ARG A 51 9.413 10.361 1.132 1.00 3.41 H new ATOM 0 HG3 ARG A 51 7.855 11.110 1.419 1.00 3.41 H new ATOM 0 HD2 ARG A 51 9.535 11.437 3.774 1.00 31.21 H new ATOM 0 HD3 ARG A 51 10.412 11.973 2.354 1.00 31.21 H new ATOM 0 HE ARG A 51 7.950 13.148 3.485 1.00 25.03 H new ATOM 0 HH11 ARG A 51 10.021 13.096 0.601 1.00 33.15 H new ATOM 0 HH12 ARG A 51 9.625 14.764 0.174 1.00 33.15 H new ATOM 0 HH21 ARG A 51 7.626 15.311 3.042 1.00 4.44 H new ATOM 0 HH22 ARG A 51 8.272 16.015 1.556 1.00 4.44 H new ATOM 773 N LYS A 52 7.309 6.484 3.434 1.00 32.03 N ATOM 774 CA LYS A 52 7.305 5.219 4.170 1.00 43.44 C ATOM 775 C LYS A 52 7.838 4.131 3.252 1.00 53.10 C ATOM 776 O LYS A 52 8.866 3.536 3.549 1.00 22.32 O ATOM 777 CB LYS A 52 5.902 4.891 4.739 1.00 2.35 C ATOM 778 CG LYS A 52 5.854 3.725 5.759 1.00 61.41 C ATOM 779 CD LYS A 52 5.822 2.307 5.147 1.00 25.41 C ATOM 780 CE LYS A 52 5.450 1.220 6.181 1.00 10.12 C ATOM 781 NZ LYS A 52 6.498 1.048 7.228 1.00 13.23 N ATOM 0 H LYS A 52 6.411 6.968 3.436 1.00 32.03 H new ATOM 0 HA LYS A 52 7.956 5.293 5.041 1.00 43.44 H new ATOM 0 HB2 LYS A 52 5.504 5.786 5.217 1.00 2.35 H new ATOM 0 HB3 LYS A 52 5.238 4.652 3.908 1.00 2.35 H new ATOM 0 HG2 LYS A 52 6.724 3.800 6.412 1.00 61.41 H new ATOM 0 HG3 LYS A 52 4.972 3.851 6.387 1.00 61.41 H new ATOM 0 HD2 LYS A 52 5.103 2.285 4.328 1.00 25.41 H new ATOM 0 HD3 LYS A 52 6.798 2.078 4.720 1.00 25.41 H new ATOM 0 HE2 LYS A 52 4.505 1.483 6.657 1.00 10.12 H new ATOM 0 HE3 LYS A 52 5.295 0.271 5.667 1.00 10.12 H new ATOM 0 HZ1 LYS A 52 6.260 0.231 7.826 1.00 13.23 H new ATOM 0 HZ2 LYS A 52 7.420 0.888 6.774 1.00 13.23 H new ATOM 0 HZ3 LYS A 52 6.546 1.905 7.815 1.00 13.23 H new ATOM 795 N VAL A 53 7.145 3.831 2.155 1.00 21.41 N ATOM 796 CA VAL A 53 7.443 2.638 1.380 1.00 42.14 C ATOM 797 C VAL A 53 8.823 2.735 0.726 1.00 2.15 C ATOM 798 O VAL A 53 9.510 1.718 0.610 1.00 14.53 O ATOM 799 CB VAL A 53 6.299 2.394 0.377 1.00 51.44 C ATOM 800 CG1 VAL A 53 6.250 3.434 -0.747 1.00 33.05 C ATOM 801 CG2 VAL A 53 6.398 1.002 -0.231 1.00 12.22 C ATOM 0 H VAL A 53 6.379 4.396 1.788 1.00 21.41 H new ATOM 0 HA VAL A 53 7.498 1.768 2.034 1.00 42.14 H new ATOM 0 HB VAL A 53 5.377 2.486 0.950 1.00 51.44 H new ATOM 0 HG11 VAL A 53 5.423 3.205 -1.419 1.00 33.05 H new ATOM 0 HG12 VAL A 53 6.106 4.426 -0.319 1.00 33.05 H new ATOM 0 HG13 VAL A 53 7.186 3.412 -1.304 1.00 33.05 H new ATOM 0 HG21 VAL A 53 5.580 0.854 -0.936 1.00 12.22 H new ATOM 0 HG22 VAL A 53 7.349 0.900 -0.753 1.00 12.22 H new ATOM 0 HG23 VAL A 53 6.336 0.254 0.560 1.00 12.22 H new ATOM 811 N LEU A 54 9.236 3.940 0.329 1.00 10.55 N ATOM 812 CA LEU A 54 10.500 4.180 -0.335 1.00 51.40 C ATOM 813 C LEU A 54 11.650 3.873 0.618 1.00 32.13 C ATOM 814 O LEU A 54 12.504 3.039 0.303 1.00 44.44 O ATOM 815 CB LEU A 54 10.581 5.634 -0.837 1.00 65.13 C ATOM 816 CG LEU A 54 10.219 5.862 -2.314 1.00 43.31 C ATOM 817 CD1 LEU A 54 11.186 5.122 -3.250 1.00 50.13 C ATOM 818 CD2 LEU A 54 8.781 5.563 -2.733 1.00 23.03 C ATOM 0 H LEU A 54 8.684 4.787 0.467 1.00 10.55 H new ATOM 0 HA LEU A 54 10.576 3.521 -1.200 1.00 51.40 H new ATOM 0 HB2 LEU A 54 9.920 6.246 -0.224 1.00 65.13 H new ATOM 0 HB3 LEU A 54 11.595 5.998 -0.673 1.00 65.13 H new ATOM 0 HG LEU A 54 10.319 6.943 -2.414 1.00 43.31 H new ATOM 0 HD11 LEU A 54 10.901 5.305 -4.286 1.00 50.13 H new ATOM 0 HD12 LEU A 54 12.201 5.483 -3.084 1.00 50.13 H new ATOM 0 HD13 LEU A 54 11.143 4.052 -3.045 1.00 50.13 H new ATOM 0 HD21 LEU A 54 8.662 5.766 -3.797 1.00 23.03 H new ATOM 0 HD22 LEU A 54 8.555 4.515 -2.536 1.00 23.03 H new ATOM 0 HD23 LEU A 54 8.098 6.194 -2.165 1.00 23.03 H new ATOM 830 N GLY A 55 11.651 4.525 1.785 1.00 42.53 N ATOM 831 CA GLY A 55 12.648 4.299 2.814 1.00 24.13 C ATOM 832 C GLY A 55 12.641 2.841 3.246 1.00 72.43 C ATOM 833 O GLY A 55 13.701 2.224 3.368 1.00 71.43 O ATOM 0 H GLY A 55 10.953 5.226 2.035 1.00 42.53 H new ATOM 0 HA2 GLY A 55 13.635 4.569 2.439 1.00 24.13 H new ATOM 0 HA3 GLY A 55 12.447 4.940 3.672 1.00 24.13 H new ATOM 837 N ASP A 56 11.454 2.261 3.432 1.00 62.01 N ATOM 838 CA ASP A 56 11.303 0.890 3.900 1.00 61.03 C ATOM 839 C ASP A 56 11.753 -0.120 2.844 1.00 34.11 C ATOM 840 O ASP A 56 12.026 -1.259 3.197 1.00 4.21 O ATOM 841 CB ASP A 56 9.845 0.618 4.287 1.00 52.13 C ATOM 842 CG ASP A 56 9.475 1.100 5.681 1.00 42.31 C ATOM 843 OD1 ASP A 56 9.607 2.289 6.033 1.00 64.23 O ATOM 844 OD2 ASP A 56 8.946 0.267 6.448 1.00 70.10 O ATOM 0 H ASP A 56 10.568 2.736 3.260 1.00 62.01 H new ATOM 0 HA ASP A 56 11.941 0.771 4.776 1.00 61.03 H new ATOM 0 HB2 ASP A 56 9.191 1.101 3.561 1.00 52.13 H new ATOM 0 HB3 ASP A 56 9.656 -0.454 4.222 1.00 52.13 H new ATOM 849 N LEU A 57 11.794 0.229 1.548 1.00 14.14 N ATOM 850 CA LEU A 57 12.325 -0.652 0.502 1.00 54.43 C ATOM 851 C LEU A 57 13.845 -0.673 0.504 1.00 70.01 C ATOM 852 O LEU A 57 14.433 -1.585 -0.079 1.00 71.33 O ATOM 853 CB LEU A 57 11.886 -0.196 -0.902 1.00 4.45 C ATOM 854 CG LEU A 57 10.716 -0.982 -1.505 1.00 5.24 C ATOM 855 CD1 LEU A 57 10.496 -0.410 -2.906 1.00 54.41 C ATOM 856 CD2 LEU A 57 10.913 -2.498 -1.660 1.00 14.32 C ATOM 0 H LEU A 57 11.460 1.128 1.199 1.00 14.14 H new ATOM 0 HA LEU A 57 11.929 -1.643 0.724 1.00 54.43 H new ATOM 0 HB2 LEU A 57 11.610 0.857 -0.855 1.00 4.45 H new ATOM 0 HB3 LEU A 57 12.740 -0.272 -1.575 1.00 4.45 H new ATOM 0 HG LEU A 57 9.883 -0.871 -0.810 1.00 5.24 H new ATOM 0 HD11 LEU A 57 9.670 -0.934 -3.387 1.00 54.41 H new ATOM 0 HD12 LEU A 57 10.259 0.651 -2.833 1.00 54.41 H new ATOM 0 HD13 LEU A 57 11.402 -0.539 -3.498 1.00 54.41 H new ATOM 0 HD21 LEU A 57 10.017 -2.939 -2.097 1.00 14.32 H new ATOM 0 HD22 LEU A 57 11.766 -2.689 -2.311 1.00 14.32 H new ATOM 0 HD23 LEU A 57 11.096 -2.943 -0.682 1.00 14.32 H new ATOM 868 N ASP A 58 14.470 0.347 1.089 1.00 33.01 N ATOM 869 CA ASP A 58 15.913 0.537 1.127 1.00 23.25 C ATOM 870 C ASP A 58 16.484 0.659 -0.295 1.00 70.21 C ATOM 871 O ASP A 58 17.596 0.224 -0.593 1.00 50.24 O ATOM 872 CB ASP A 58 16.531 -0.578 1.978 1.00 34.35 C ATOM 873 CG ASP A 58 17.968 -0.315 2.399 1.00 11.21 C ATOM 874 OD1 ASP A 58 18.530 0.776 2.156 1.00 50.14 O ATOM 875 OD2 ASP A 58 18.556 -1.261 2.981 1.00 43.42 O ATOM 0 H ASP A 58 13.962 1.091 1.567 1.00 33.01 H new ATOM 0 HA ASP A 58 16.175 1.480 1.607 1.00 23.25 H new ATOM 0 HB2 ASP A 58 15.922 -0.718 2.871 1.00 34.35 H new ATOM 0 HB3 ASP A 58 16.493 -1.512 1.417 1.00 34.35 H new ATOM 880 N GLY A 59 15.691 1.232 -1.211 1.00 25.52 N ATOM 881 CA GLY A 59 16.086 1.430 -2.601 1.00 72.14 C ATOM 882 C GLY A 59 16.098 0.139 -3.423 1.00 61.44 C ATOM 883 O GLY A 59 16.811 0.059 -4.424 1.00 52.41 O ATOM 0 H GLY A 59 14.752 1.571 -1.001 1.00 25.52 H new ATOM 0 HA2 GLY A 59 15.404 2.141 -3.066 1.00 72.14 H new ATOM 0 HA3 GLY A 59 17.080 1.877 -2.628 1.00 72.14 H new ATOM 887 N LYS A 60 15.335 -0.891 -3.032 1.00 34.12 N ATOM 888 CA LYS A 60 15.253 -2.135 -3.794 1.00 64.24 C ATOM 889 C LYS A 60 14.565 -2.004 -5.154 1.00 65.41 C ATOM 890 O LYS A 60 14.767 -2.881 -5.997 1.00 32.33 O ATOM 891 CB LYS A 60 14.516 -3.176 -2.971 1.00 65.43 C ATOM 892 CG LYS A 60 15.457 -4.078 -2.180 1.00 63.21 C ATOM 893 CD LYS A 60 14.647 -5.226 -1.568 1.00 73.41 C ATOM 894 CE LYS A 60 15.427 -5.960 -0.478 1.00 61.00 C ATOM 895 NZ LYS A 60 15.738 -5.062 0.652 1.00 51.31 N ATOM 0 H LYS A 60 14.764 -0.882 -2.187 1.00 34.12 H new ATOM 0 HA LYS A 60 16.282 -2.429 -3.999 1.00 64.24 H new ATOM 0 HB2 LYS A 60 13.837 -2.674 -2.282 1.00 65.43 H new ATOM 0 HB3 LYS A 60 13.903 -3.789 -3.633 1.00 65.43 H new ATOM 0 HG2 LYS A 60 16.237 -4.472 -2.831 1.00 63.21 H new ATOM 0 HG3 LYS A 60 15.955 -3.508 -1.396 1.00 63.21 H new ATOM 0 HD2 LYS A 60 13.721 -4.833 -1.149 1.00 73.41 H new ATOM 0 HD3 LYS A 60 14.368 -5.931 -2.351 1.00 73.41 H new ATOM 0 HE2 LYS A 60 14.846 -6.810 -0.121 1.00 61.00 H new ATOM 0 HE3 LYS A 60 16.352 -6.359 -0.895 1.00 61.00 H new ATOM 0 HZ1 LYS A 60 16.761 -4.879 0.678 1.00 51.31 H new ATOM 0 HZ2 LYS A 60 15.228 -4.164 0.532 1.00 51.31 H new ATOM 0 HZ3 LYS A 60 15.444 -5.511 1.543 1.00 51.31 H new ATOM 909 N ARG A 61 13.693 -1.015 -5.347 1.00 32.11 N ATOM 910 CA ARG A 61 13.008 -0.760 -6.612 1.00 70.20 C ATOM 911 C ARG A 61 12.936 0.754 -6.788 1.00 24.21 C ATOM 912 O ARG A 61 12.885 1.458 -5.774 1.00 42.23 O ATOM 913 CB ARG A 61 11.593 -1.379 -6.627 1.00 33.24 C ATOM 914 CG ARG A 61 11.543 -2.894 -6.890 1.00 61.30 C ATOM 915 CD ARG A 61 12.033 -3.246 -8.299 1.00 10.35 C ATOM 916 NE ARG A 61 11.619 -4.597 -8.721 1.00 61.14 N ATOM 917 CZ ARG A 61 11.394 -4.985 -9.984 1.00 63.00 C ATOM 918 NH1 ARG A 61 11.405 -4.116 -10.989 1.00 25.24 N ATOM 919 NH2 ARG A 61 11.165 -6.266 -10.232 1.00 21.21 N ATOM 0 H ARG A 61 13.438 -0.355 -4.612 1.00 32.11 H new ATOM 0 HA ARG A 61 13.556 -1.222 -7.433 1.00 70.20 H new ATOM 0 HB2 ARG A 61 11.115 -1.177 -5.668 1.00 33.24 H new ATOM 0 HB3 ARG A 61 11.001 -0.874 -7.391 1.00 33.24 H new ATOM 0 HG2 ARG A 61 12.157 -3.411 -6.152 1.00 61.30 H new ATOM 0 HG3 ARG A 61 10.521 -3.251 -6.761 1.00 61.30 H new ATOM 0 HD2 ARG A 61 11.647 -2.513 -9.008 1.00 10.35 H new ATOM 0 HD3 ARG A 61 13.120 -3.177 -8.330 1.00 10.35 H new ATOM 0 HE ARG A 61 11.493 -5.296 -7.989 1.00 61.14 H new ATOM 0 HH11 ARG A 61 11.588 -3.129 -10.808 1.00 25.24 H new ATOM 0 HH12 ARG A 61 11.231 -4.436 -11.942 1.00 25.24 H new ATOM 0 HH21 ARG A 61 11.162 -6.941 -9.467 1.00 21.21 H new ATOM 0 HH22 ARG A 61 10.992 -6.577 -11.188 1.00 21.21 H new ATOM 933 N PRO A 62 12.883 1.253 -8.033 1.00 2.42 N ATOM 934 CA PRO A 62 12.887 2.678 -8.297 1.00 43.54 C ATOM 935 C PRO A 62 11.617 3.344 -7.796 1.00 51.11 C ATOM 936 O PRO A 62 10.527 2.767 -7.829 1.00 5.11 O ATOM 937 CB PRO A 62 13.014 2.837 -9.811 1.00 43.22 C ATOM 938 CG PRO A 62 12.580 1.484 -10.368 1.00 30.05 C ATOM 939 CD PRO A 62 12.929 0.495 -9.272 1.00 11.33 C ATOM 0 HA PRO A 62 13.713 3.160 -7.773 1.00 43.54 H new ATOM 0 HB2 PRO A 62 12.379 3.642 -10.181 1.00 43.22 H new ATOM 0 HB3 PRO A 62 14.037 3.078 -10.102 1.00 43.22 H new ATOM 0 HG2 PRO A 62 11.513 1.470 -10.591 1.00 30.05 H new ATOM 0 HG3 PRO A 62 13.103 1.250 -11.295 1.00 30.05 H new ATOM 0 HD2 PRO A 62 12.221 -0.333 -9.251 1.00 11.33 H new ATOM 0 HD3 PRO A 62 13.918 0.065 -9.432 1.00 11.33 H new ATOM 947 N GLU A 63 11.744 4.624 -7.457 1.00 52.33 N ATOM 948 CA GLU A 63 10.664 5.480 -6.992 1.00 22.25 C ATOM 949 C GLU A 63 9.488 5.450 -7.965 1.00 22.41 C ATOM 950 O GLU A 63 8.335 5.313 -7.544 1.00 31.35 O ATOM 951 CB GLU A 63 11.220 6.902 -6.789 1.00 54.31 C ATOM 952 CG GLU A 63 10.132 7.911 -6.380 1.00 71.43 C ATOM 953 CD GLU A 63 10.560 8.913 -5.296 1.00 2.44 C ATOM 954 OE1 GLU A 63 11.204 8.505 -4.309 1.00 52.51 O ATOM 955 OE2 GLU A 63 10.070 10.065 -5.297 1.00 11.53 O ATOM 0 H GLU A 63 12.640 5.110 -7.502 1.00 52.33 H new ATOM 0 HA GLU A 63 10.279 5.116 -6.039 1.00 22.25 H new ATOM 0 HB2 GLU A 63 11.995 6.879 -6.023 1.00 54.31 H new ATOM 0 HB3 GLU A 63 11.693 7.238 -7.712 1.00 54.31 H new ATOM 0 HG2 GLU A 63 9.819 8.465 -7.265 1.00 71.43 H new ATOM 0 HG3 GLU A 63 9.261 7.361 -6.024 1.00 71.43 H new ATOM 962 N ALA A 64 9.785 5.551 -9.261 1.00 22.45 N ATOM 963 CA ALA A 64 8.784 5.609 -10.310 1.00 21.43 C ATOM 964 C ALA A 64 7.930 4.338 -10.335 1.00 25.15 C ATOM 965 O ALA A 64 6.703 4.444 -10.418 1.00 22.02 O ATOM 966 CB ALA A 64 9.479 5.833 -11.650 1.00 13.11 C ATOM 0 H ALA A 64 10.743 5.595 -9.609 1.00 22.45 H new ATOM 0 HA ALA A 64 8.108 6.441 -10.113 1.00 21.43 H new ATOM 0 HB1 ALA A 64 8.733 5.878 -12.444 1.00 13.11 H new ATOM 0 HB2 ALA A 64 10.034 6.771 -11.620 1.00 13.11 H new ATOM 0 HB3 ALA A 64 10.167 5.011 -11.845 1.00 13.11 H new ATOM 972 N GLU A 65 8.550 3.154 -10.254 1.00 3.22 N ATOM 973 CA GLU A 65 7.819 1.900 -10.222 1.00 62.21 C ATOM 974 C GLU A 65 6.957 1.829 -8.961 1.00 45.21 C ATOM 975 O GLU A 65 5.766 1.534 -9.032 1.00 74.22 O ATOM 976 CB GLU A 65 8.820 0.741 -10.293 1.00 61.03 C ATOM 977 CG GLU A 65 8.079 -0.593 -10.383 1.00 50.34 C ATOM 978 CD GLU A 65 8.992 -1.794 -10.631 1.00 71.23 C ATOM 979 OE1 GLU A 65 10.231 -1.634 -10.756 1.00 23.05 O ATOM 980 OE2 GLU A 65 8.462 -2.920 -10.737 1.00 64.03 O ATOM 0 H GLU A 65 9.563 3.048 -10.210 1.00 3.22 H new ATOM 0 HA GLU A 65 7.148 1.831 -11.078 1.00 62.21 H new ATOM 0 HB2 GLU A 65 9.469 0.864 -11.160 1.00 61.03 H new ATOM 0 HB3 GLU A 65 9.461 0.750 -9.412 1.00 61.03 H new ATOM 0 HG2 GLU A 65 7.527 -0.754 -9.457 1.00 50.34 H new ATOM 0 HG3 GLU A 65 7.344 -0.536 -11.186 1.00 50.34 H new ATOM 987 N VAL A 66 7.553 2.123 -7.805 1.00 3.51 N ATOM 988 CA VAL A 66 6.914 1.990 -6.502 1.00 14.24 C ATOM 989 C VAL A 66 5.633 2.830 -6.450 1.00 65.33 C ATOM 990 O VAL A 66 4.560 2.324 -6.102 1.00 24.44 O ATOM 991 CB VAL A 66 7.948 2.335 -5.405 1.00 73.12 C ATOM 992 CG1 VAL A 66 7.332 2.413 -4.000 1.00 33.21 C ATOM 993 CG2 VAL A 66 9.052 1.266 -5.406 1.00 5.23 C ATOM 0 H VAL A 66 8.512 2.467 -7.751 1.00 3.51 H new ATOM 0 HA VAL A 66 6.591 0.964 -6.323 1.00 14.24 H new ATOM 0 HB VAL A 66 8.347 3.322 -5.638 1.00 73.12 H new ATOM 0 HG11 VAL A 66 8.108 2.658 -3.275 1.00 33.21 H new ATOM 0 HG12 VAL A 66 6.562 3.185 -3.982 1.00 33.21 H new ATOM 0 HG13 VAL A 66 6.887 1.451 -3.744 1.00 33.21 H new ATOM 0 HG21 VAL A 66 9.786 1.501 -4.635 1.00 5.23 H new ATOM 0 HG22 VAL A 66 8.613 0.289 -5.203 1.00 5.23 H new ATOM 0 HG23 VAL A 66 9.541 1.249 -6.380 1.00 5.23 H new ATOM 1003 N ARG A 67 5.697 4.116 -6.805 1.00 10.13 N ATOM 1004 CA ARG A 67 4.505 4.965 -6.743 1.00 63.21 C ATOM 1005 C ARG A 67 3.447 4.543 -7.763 1.00 65.10 C ATOM 1006 O ARG A 67 2.264 4.500 -7.419 1.00 63.33 O ATOM 1007 CB ARG A 67 4.894 6.447 -6.725 1.00 1.52 C ATOM 1008 CG ARG A 67 5.559 7.025 -7.982 1.00 44.14 C ATOM 1009 CD ARG A 67 6.649 8.055 -7.641 1.00 13.31 C ATOM 1010 NE ARG A 67 6.214 9.076 -6.671 1.00 41.34 N ATOM 1011 CZ ARG A 67 6.591 9.245 -5.400 1.00 30.11 C ATOM 1012 NH1 ARG A 67 7.357 8.369 -4.764 1.00 5.21 N ATOM 1013 NH2 ARG A 67 6.189 10.318 -4.744 1.00 43.21 N ATOM 0 H ARG A 67 6.542 4.584 -7.132 1.00 10.13 H new ATOM 0 HA ARG A 67 3.993 4.813 -5.793 1.00 63.21 H new ATOM 0 HB2 ARG A 67 3.994 7.028 -6.525 1.00 1.52 H new ATOM 0 HB3 ARG A 67 5.570 6.606 -5.885 1.00 1.52 H new ATOM 0 HG2 ARG A 67 5.997 6.215 -8.565 1.00 44.14 H new ATOM 0 HG3 ARG A 67 4.801 7.495 -8.609 1.00 44.14 H new ATOM 0 HD2 ARG A 67 7.518 7.533 -7.241 1.00 13.31 H new ATOM 0 HD3 ARG A 67 6.969 8.550 -8.558 1.00 13.31 H new ATOM 0 HE ARG A 67 5.529 9.748 -7.018 1.00 41.34 H new ATOM 0 HH11 ARG A 67 7.680 7.530 -5.246 1.00 5.21 H new ATOM 0 HH12 ARG A 67 7.623 8.534 -3.793 1.00 5.21 H new ATOM 0 HH21 ARG A 67 5.597 11.007 -5.208 1.00 43.21 H new ATOM 0 HH22 ARG A 67 6.470 10.458 -3.774 1.00 43.21 H new ATOM 1027 N ALA A 68 3.852 4.095 -8.956 1.00 71.22 N ATOM 1028 CA ALA A 68 2.906 3.553 -9.924 1.00 74.41 C ATOM 1029 C ALA A 68 2.208 2.299 -9.399 1.00 41.14 C ATOM 1030 O ALA A 68 1.013 2.136 -9.657 1.00 45.22 O ATOM 1031 CB ALA A 68 3.605 3.230 -11.239 1.00 13.13 C ATOM 0 H ALA A 68 4.823 4.099 -9.269 1.00 71.22 H new ATOM 0 HA ALA A 68 2.150 4.320 -10.092 1.00 74.41 H new ATOM 0 HB1 ALA A 68 2.881 2.827 -11.947 1.00 13.13 H new ATOM 0 HB2 ALA A 68 4.046 4.138 -11.649 1.00 13.13 H new ATOM 0 HB3 ALA A 68 4.389 2.493 -11.063 1.00 13.13 H new ATOM 1037 N LYS A 69 2.911 1.413 -8.680 1.00 11.35 N ATOM 1038 CA LYS A 69 2.297 0.211 -8.110 1.00 44.42 C ATOM 1039 C LYS A 69 1.107 0.617 -7.235 1.00 73.13 C ATOM 1040 O LYS A 69 0.066 -0.038 -7.289 1.00 63.10 O ATOM 1041 CB LYS A 69 3.322 -0.616 -7.314 1.00 34.24 C ATOM 1042 CG LYS A 69 2.789 -2.037 -7.052 1.00 32.43 C ATOM 1043 CD LYS A 69 3.177 -3.042 -8.145 1.00 63.11 C ATOM 1044 CE LYS A 69 2.563 -4.410 -7.844 1.00 65.22 C ATOM 1045 NZ LYS A 69 1.155 -4.506 -8.270 1.00 54.42 N ATOM 0 H LYS A 69 3.907 1.509 -8.480 1.00 11.35 H new ATOM 0 HA LYS A 69 1.940 -0.424 -8.921 1.00 44.42 H new ATOM 0 HB2 LYS A 69 4.260 -0.670 -7.866 1.00 34.24 H new ATOM 0 HB3 LYS A 69 3.538 -0.123 -6.366 1.00 34.24 H new ATOM 0 HG2 LYS A 69 3.169 -2.389 -6.093 1.00 32.43 H new ATOM 0 HG3 LYS A 69 1.703 -2.001 -6.970 1.00 32.43 H new ATOM 0 HD2 LYS A 69 2.833 -2.686 -9.116 1.00 63.11 H new ATOM 0 HD3 LYS A 69 4.262 -3.127 -8.203 1.00 63.11 H new ATOM 0 HE2 LYS A 69 3.144 -5.183 -8.346 1.00 65.22 H new ATOM 0 HE3 LYS A 69 2.629 -4.606 -6.774 1.00 65.22 H new ATOM 0 HZ1 LYS A 69 0.787 -5.452 -8.043 1.00 54.42 H new ATOM 0 HZ2 LYS A 69 0.592 -3.787 -7.772 1.00 54.42 H new ATOM 0 HZ3 LYS A 69 1.091 -4.347 -9.296 1.00 54.42 H new ATOM 1059 N TYR A 70 1.254 1.643 -6.386 1.00 25.43 N ATOM 1060 CA TYR A 70 0.207 2.093 -5.463 1.00 64.12 C ATOM 1061 C TYR A 70 -0.993 2.605 -6.264 1.00 11.15 C ATOM 1062 O TYR A 70 -2.116 2.133 -6.065 1.00 73.22 O ATOM 1063 CB TYR A 70 0.770 3.165 -4.506 1.00 11.33 C ATOM 1064 CG TYR A 70 -0.163 3.617 -3.394 1.00 23.44 C ATOM 1065 CD1 TYR A 70 -0.788 2.676 -2.547 1.00 23.22 C ATOM 1066 CD2 TYR A 70 -0.352 4.996 -3.166 1.00 71.04 C ATOM 1067 CE1 TYR A 70 -1.675 3.132 -1.553 1.00 65.13 C ATOM 1068 CE2 TYR A 70 -1.223 5.456 -2.158 1.00 64.11 C ATOM 1069 CZ TYR A 70 -1.924 4.514 -1.372 1.00 34.24 C ATOM 1070 OH TYR A 70 -2.939 4.884 -0.539 1.00 50.42 O ATOM 0 H TYR A 70 2.113 2.189 -6.321 1.00 25.43 H new ATOM 0 HA TYR A 70 -0.133 1.260 -4.848 1.00 64.12 H new ATOM 0 HB2 TYR A 70 1.683 2.777 -4.053 1.00 11.33 H new ATOM 0 HB3 TYR A 70 1.052 4.038 -5.095 1.00 11.33 H new ATOM 0 HD1 TYR A 70 -0.588 1.621 -2.660 1.00 23.22 H new ATOM 0 HD2 TYR A 70 0.180 5.712 -3.775 1.00 71.04 H new ATOM 0 HE1 TYR A 70 -2.174 2.415 -0.918 1.00 65.13 H new ATOM 0 HE2 TYR A 70 -1.353 6.515 -1.989 1.00 64.11 H new ATOM 0 HH TYR A 70 -2.794 4.492 0.347 1.00 50.42 H new ATOM 1080 N GLU A 71 -0.763 3.532 -7.200 1.00 71.40 N ATOM 1081 CA GLU A 71 -1.831 4.144 -7.986 1.00 2.43 C ATOM 1082 C GLU A 71 -2.630 3.115 -8.781 1.00 74.31 C ATOM 1083 O GLU A 71 -3.853 3.246 -8.903 1.00 51.11 O ATOM 1084 CB GLU A 71 -1.260 5.205 -8.949 1.00 14.44 C ATOM 1085 CG GLU A 71 -1.237 6.605 -8.335 1.00 44.23 C ATOM 1086 CD GLU A 71 -2.641 7.033 -7.894 1.00 61.12 C ATOM 1087 OE1 GLU A 71 -3.543 7.142 -8.761 1.00 51.32 O ATOM 1088 OE2 GLU A 71 -2.878 7.158 -6.672 1.00 45.24 O ATOM 0 H GLU A 71 0.169 3.876 -7.431 1.00 71.40 H new ATOM 0 HA GLU A 71 -2.508 4.619 -7.275 1.00 2.43 H new ATOM 0 HB2 GLU A 71 -0.247 4.922 -9.237 1.00 14.44 H new ATOM 0 HB3 GLU A 71 -1.857 5.222 -9.861 1.00 14.44 H new ATOM 0 HG2 GLU A 71 -0.562 6.620 -7.479 1.00 44.23 H new ATOM 0 HG3 GLU A 71 -0.846 7.318 -9.061 1.00 44.23 H new ATOM 1095 N GLY A 72 -1.964 2.102 -9.339 1.00 33.21 N ATOM 1096 CA GLY A 72 -2.609 1.110 -10.194 1.00 44.52 C ATOM 1097 C GLY A 72 -3.606 0.236 -9.429 1.00 2.30 C ATOM 1098 O GLY A 72 -4.437 -0.439 -10.040 1.00 50.34 O ATOM 0 H GLY A 72 -0.964 1.949 -9.210 1.00 33.21 H new ATOM 0 HA2 GLY A 72 -3.126 1.618 -11.008 1.00 44.52 H new ATOM 0 HA3 GLY A 72 -1.847 0.475 -10.647 1.00 44.52 H new ATOM 1102 N LEU A 73 -3.572 0.257 -8.094 1.00 4.53 N ATOM 1103 CA LEU A 73 -4.273 -0.675 -7.239 1.00 30.43 C ATOM 1104 C LEU A 73 -5.593 -0.146 -6.720 1.00 71.21 C ATOM 1105 O LEU A 73 -6.298 -0.920 -6.077 1.00 62.01 O ATOM 1106 CB LEU A 73 -3.375 -1.054 -6.055 1.00 44.54 C ATOM 1107 CG LEU A 73 -3.497 -2.531 -5.646 1.00 30.21 C ATOM 1108 CD1 LEU A 73 -3.032 -3.461 -6.780 1.00 42.41 C ATOM 1109 CD2 LEU A 73 -2.532 -2.734 -4.488 1.00 4.14 C ATOM 0 H LEU A 73 -3.035 0.950 -7.572 1.00 4.53 H new ATOM 0 HA LEU A 73 -4.505 -1.547 -7.850 1.00 30.43 H new ATOM 0 HB2 LEU A 73 -2.338 -0.840 -6.312 1.00 44.54 H new ATOM 0 HB3 LEU A 73 -3.628 -0.426 -5.201 1.00 44.54 H new ATOM 0 HG LEU A 73 -4.534 -2.758 -5.399 1.00 30.21 H new ATOM 0 HD11 LEU A 73 -3.130 -4.499 -6.462 1.00 42.41 H new ATOM 0 HD12 LEU A 73 -3.647 -3.293 -7.664 1.00 42.41 H new ATOM 0 HD13 LEU A 73 -1.989 -3.251 -7.018 1.00 42.41 H new ATOM 0 HD21 LEU A 73 -2.577 -3.771 -4.155 1.00 4.14 H new ATOM 0 HD22 LEU A 73 -1.518 -2.501 -4.814 1.00 4.14 H new ATOM 0 HD23 LEU A 73 -2.809 -2.076 -3.664 1.00 4.14 H new ATOM 1121 N MET A 74 -5.968 1.113 -6.985 1.00 45.45 N ATOM 1122 CA MET A 74 -7.285 1.600 -6.572 1.00 21.01 C ATOM 1123 C MET A 74 -8.358 0.659 -7.112 1.00 72.13 C ATOM 1124 O MET A 74 -9.205 0.198 -6.348 1.00 30.31 O ATOM 1125 CB MET A 74 -7.535 3.052 -7.008 1.00 64.42 C ATOM 1126 CG MET A 74 -8.995 3.434 -6.697 1.00 24.24 C ATOM 1127 SD MET A 74 -9.318 5.185 -6.414 1.00 54.45 S ATOM 1128 CE MET A 74 -8.601 5.319 -4.756 1.00 51.11 C ATOM 0 H MET A 74 -5.390 1.797 -7.473 1.00 45.45 H new ATOM 0 HA MET A 74 -7.325 1.605 -5.483 1.00 21.01 H new ATOM 0 HB2 MET A 74 -6.853 3.723 -6.486 1.00 64.42 H new ATOM 0 HB3 MET A 74 -7.337 3.163 -8.074 1.00 64.42 H new ATOM 0 HG2 MET A 74 -9.620 3.100 -7.525 1.00 24.24 H new ATOM 0 HG3 MET A 74 -9.313 2.880 -5.814 1.00 24.24 H new ATOM 0 HE1 MET A 74 -8.074 6.269 -4.663 1.00 51.11 H new ATOM 0 HE2 MET A 74 -9.395 5.270 -4.011 1.00 51.11 H new ATOM 0 HE3 MET A 74 -7.901 4.499 -4.595 1.00 51.11 H new ATOM 1138 N ALA A 75 -8.269 0.322 -8.400 1.00 51.14 N ATOM 1139 CA ALA A 75 -9.194 -0.589 -9.038 1.00 70.23 C ATOM 1140 C ALA A 75 -9.267 -1.921 -8.301 1.00 21.34 C ATOM 1141 O ALA A 75 -10.365 -2.397 -8.012 1.00 12.31 O ATOM 1142 CB ALA A 75 -8.744 -0.832 -10.478 1.00 42.13 C ATOM 0 H ALA A 75 -7.546 0.680 -9.024 1.00 51.14 H new ATOM 0 HA ALA A 75 -10.186 -0.138 -9.018 1.00 70.23 H new ATOM 0 HB1 ALA A 75 -9.437 -1.518 -10.965 1.00 42.13 H new ATOM 0 HB2 ALA A 75 -8.730 0.114 -11.019 1.00 42.13 H new ATOM 0 HB3 ALA A 75 -7.744 -1.266 -10.478 1.00 42.13 H new ATOM 1148 N VAL A 76 -8.110 -2.528 -8.025 1.00 5.12 N ATOM 1149 CA VAL A 76 -8.068 -3.887 -7.495 1.00 34.32 C ATOM 1150 C VAL A 76 -8.572 -3.885 -6.046 1.00 64.42 C ATOM 1151 O VAL A 76 -9.355 -4.746 -5.642 1.00 25.33 O ATOM 1152 CB VAL A 76 -6.646 -4.471 -7.632 1.00 22.30 C ATOM 1153 CG1 VAL A 76 -6.646 -5.986 -7.411 1.00 14.14 C ATOM 1154 CG2 VAL A 76 -6.044 -4.208 -9.029 1.00 1.52 C ATOM 0 H VAL A 76 -7.195 -2.099 -8.160 1.00 5.12 H new ATOM 0 HA VAL A 76 -8.728 -4.535 -8.071 1.00 34.32 H new ATOM 0 HB VAL A 76 -6.045 -3.972 -6.872 1.00 22.30 H new ATOM 0 HG11 VAL A 76 -5.631 -6.369 -7.514 1.00 14.14 H new ATOM 0 HG12 VAL A 76 -7.018 -6.208 -6.411 1.00 14.14 H new ATOM 0 HG13 VAL A 76 -7.290 -6.462 -8.151 1.00 14.14 H new ATOM 0 HG21 VAL A 76 -5.043 -4.636 -9.080 1.00 1.52 H new ATOM 0 HG22 VAL A 76 -6.675 -4.668 -9.790 1.00 1.52 H new ATOM 0 HG23 VAL A 76 -5.988 -3.134 -9.205 1.00 1.52 H new ATOM 1164 N ALA A 77 -8.179 -2.866 -5.279 1.00 45.43 N ATOM 1165 CA ALA A 77 -8.587 -2.677 -3.904 1.00 33.02 C ATOM 1166 C ALA A 77 -10.115 -2.561 -3.812 1.00 32.24 C ATOM 1167 O ALA A 77 -10.748 -3.201 -2.976 1.00 33.41 O ATOM 1168 CB ALA A 77 -7.916 -1.421 -3.346 1.00 5.51 C ATOM 0 H ALA A 77 -7.552 -2.135 -5.615 1.00 45.43 H new ATOM 0 HA ALA A 77 -8.278 -3.539 -3.313 1.00 33.02 H new ATOM 0 HB1 ALA A 77 -8.221 -1.275 -2.310 1.00 5.51 H new ATOM 0 HB2 ALA A 77 -6.833 -1.536 -3.393 1.00 5.51 H new ATOM 0 HB3 ALA A 77 -8.215 -0.556 -3.937 1.00 5.51 H new ATOM 1174 N LYS A 78 -10.709 -1.723 -4.668 1.00 22.14 N ATOM 1175 CA LYS A 78 -12.145 -1.458 -4.692 1.00 73.33 C ATOM 1176 C LYS A 78 -12.939 -2.641 -5.214 1.00 3.53 C ATOM 1177 O LYS A 78 -14.076 -2.822 -4.772 1.00 1.24 O ATOM 1178 CB LYS A 78 -12.425 -0.237 -5.576 1.00 71.12 C ATOM 1179 CG LYS A 78 -12.080 1.059 -4.840 1.00 54.41 C ATOM 1180 CD LYS A 78 -12.678 2.277 -5.544 1.00 25.43 C ATOM 1181 CE LYS A 78 -14.207 2.266 -5.375 1.00 43.31 C ATOM 1182 NZ LYS A 78 -14.780 3.620 -5.423 1.00 25.11 N ATOM 0 H LYS A 78 -10.192 -1.202 -5.376 1.00 22.14 H new ATOM 0 HA LYS A 78 -12.460 -1.271 -3.665 1.00 73.33 H new ATOM 0 HB2 LYS A 78 -11.841 -0.306 -6.494 1.00 71.12 H new ATOM 0 HB3 LYS A 78 -13.475 -0.226 -5.867 1.00 71.12 H new ATOM 0 HG2 LYS A 78 -12.453 1.009 -3.817 1.00 54.41 H new ATOM 0 HG3 LYS A 78 -10.997 1.167 -4.779 1.00 54.41 H new ATOM 0 HD2 LYS A 78 -12.262 3.193 -5.126 1.00 25.43 H new ATOM 0 HD3 LYS A 78 -12.418 2.263 -6.602 1.00 25.43 H new ATOM 0 HE2 LYS A 78 -14.653 1.656 -6.160 1.00 43.31 H new ATOM 0 HE3 LYS A 78 -14.463 1.798 -4.424 1.00 43.31 H new ATOM 0 HZ1 LYS A 78 -15.812 3.565 -5.305 1.00 25.11 H new ATOM 0 HZ2 LYS A 78 -14.374 4.196 -4.658 1.00 25.11 H new ATOM 0 HZ3 LYS A 78 -14.559 4.058 -6.340 1.00 25.11 H new ATOM 1196 N ALA A 79 -12.367 -3.434 -6.120 1.00 21.11 N ATOM 1197 CA ALA A 79 -12.961 -4.697 -6.505 1.00 71.05 C ATOM 1198 C ALA A 79 -13.093 -5.545 -5.248 1.00 54.45 C ATOM 1199 O ALA A 79 -14.207 -5.869 -4.866 1.00 33.23 O ATOM 1200 CB ALA A 79 -12.116 -5.390 -7.573 1.00 12.22 C ATOM 0 H ALA A 79 -11.492 -3.216 -6.597 1.00 21.11 H new ATOM 0 HA ALA A 79 -13.946 -4.542 -6.946 1.00 71.05 H new ATOM 0 HB1 ALA A 79 -12.581 -6.337 -7.847 1.00 12.22 H new ATOM 0 HB2 ALA A 79 -12.047 -4.751 -8.454 1.00 12.22 H new ATOM 0 HB3 ALA A 79 -11.116 -5.577 -7.181 1.00 12.22 H new ATOM 1206 N GLN A 80 -11.981 -5.832 -4.562 1.00 70.23 N ATOM 1207 CA GLN A 80 -11.954 -6.740 -3.418 1.00 1.34 C ATOM 1208 C GLN A 80 -12.934 -6.390 -2.295 1.00 33.21 C ATOM 1209 O GLN A 80 -13.300 -7.282 -1.539 1.00 70.42 O ATOM 1210 CB GLN A 80 -10.536 -6.858 -2.859 1.00 61.03 C ATOM 1211 CG GLN A 80 -9.682 -7.861 -3.655 1.00 3.22 C ATOM 1212 CD GLN A 80 -8.331 -8.102 -2.990 1.00 14.34 C ATOM 1213 OE1 GLN A 80 -8.060 -7.578 -1.913 1.00 54.53 O ATOM 1214 NE2 GLN A 80 -7.444 -8.870 -3.599 1.00 43.42 N ATOM 0 H GLN A 80 -11.069 -5.436 -4.790 1.00 70.23 H new ATOM 0 HA GLN A 80 -12.288 -7.700 -3.811 1.00 1.34 H new ATOM 0 HB2 GLN A 80 -10.057 -5.879 -2.878 1.00 61.03 H new ATOM 0 HB3 GLN A 80 -10.583 -7.170 -1.816 1.00 61.03 H new ATOM 0 HG2 GLN A 80 -10.218 -8.806 -3.744 1.00 3.22 H new ATOM 0 HG3 GLN A 80 -9.528 -7.486 -4.667 1.00 3.22 H new ATOM 0 HE21 GLN A 80 -7.673 -9.303 -4.493 1.00 43.42 H new ATOM 0 HE22 GLN A 80 -6.530 -9.029 -3.174 1.00 43.42 H new ATOM 1223 N LEU A 81 -13.356 -5.135 -2.143 1.00 5.11 N ATOM 1224 CA LEU A 81 -14.287 -4.742 -1.089 1.00 5.32 C ATOM 1225 C LEU A 81 -15.724 -5.082 -1.459 1.00 24.14 C ATOM 1226 O LEU A 81 -16.497 -5.458 -0.571 1.00 41.32 O ATOM 1227 CB LEU A 81 -14.141 -3.239 -0.829 1.00 44.52 C ATOM 1228 CG LEU A 81 -12.870 -2.916 -0.022 1.00 64.15 C ATOM 1229 CD1 LEU A 81 -12.470 -1.460 -0.252 1.00 52.23 C ATOM 1230 CD2 LEU A 81 -13.087 -3.129 1.480 1.00 13.14 C ATOM 0 H LEU A 81 -13.063 -4.366 -2.745 1.00 5.11 H new ATOM 0 HA LEU A 81 -14.047 -5.298 -0.183 1.00 5.32 H new ATOM 0 HB2 LEU A 81 -14.112 -2.707 -1.780 1.00 44.52 H new ATOM 0 HB3 LEU A 81 -15.016 -2.878 -0.288 1.00 44.52 H new ATOM 0 HG LEU A 81 -12.084 -3.590 -0.363 1.00 64.15 H new ATOM 0 HD11 LEU A 81 -11.570 -1.235 0.321 1.00 52.23 H new ATOM 0 HD12 LEU A 81 -12.275 -1.299 -1.312 1.00 52.23 H new ATOM 0 HD13 LEU A 81 -13.279 -0.805 0.071 1.00 52.23 H new ATOM 0 HD21 LEU A 81 -12.169 -2.891 2.018 1.00 13.14 H new ATOM 0 HD22 LEU A 81 -13.890 -2.479 1.827 1.00 13.14 H new ATOM 0 HD23 LEU A 81 -13.357 -4.169 1.665 1.00 13.14 H new ATOM 1242 N MET A 82 -16.091 -4.907 -2.729 1.00 11.40 N ATOM 1243 CA MET A 82 -17.408 -5.263 -3.248 1.00 74.32 C ATOM 1244 C MET A 82 -17.497 -6.761 -3.539 1.00 44.21 C ATOM 1245 O MET A 82 -18.553 -7.363 -3.383 1.00 33.23 O ATOM 1246 CB MET A 82 -17.656 -4.445 -4.516 1.00 22.30 C ATOM 1247 CG MET A 82 -17.800 -2.966 -4.156 1.00 31.14 C ATOM 1248 SD MET A 82 -19.375 -2.542 -3.358 1.00 11.24 S ATOM 1249 CE MET A 82 -18.859 -1.166 -2.310 1.00 12.13 C ATOM 0 H MET A 82 -15.472 -4.508 -3.434 1.00 11.40 H new ATOM 0 HA MET A 82 -18.172 -5.038 -2.504 1.00 74.32 H new ATOM 0 HB2 MET A 82 -16.830 -4.580 -5.215 1.00 22.30 H new ATOM 0 HB3 MET A 82 -18.558 -4.797 -5.017 1.00 22.30 H new ATOM 0 HG2 MET A 82 -16.982 -2.684 -3.493 1.00 31.14 H new ATOM 0 HG3 MET A 82 -17.694 -2.371 -5.063 1.00 31.14 H new ATOM 0 HE1 MET A 82 -19.717 -0.792 -1.752 1.00 12.13 H new ATOM 0 HE2 MET A 82 -18.093 -1.507 -1.613 1.00 12.13 H new ATOM 0 HE3 MET A 82 -18.454 -0.367 -2.931 1.00 12.13 H new ATOM 1259 N ASP A 83 -16.380 -7.365 -3.919 1.00 24.24 N ATOM 1260 CA ASP A 83 -16.189 -8.791 -4.153 1.00 74.02 C ATOM 1261 C ASP A 83 -16.348 -9.578 -2.846 1.00 33.04 C ATOM 1262 O ASP A 83 -16.849 -10.699 -2.840 1.00 43.32 O ATOM 1263 CB ASP A 83 -14.772 -8.910 -4.714 1.00 10.43 C ATOM 1264 CG ASP A 83 -14.326 -10.281 -5.176 1.00 4.53 C ATOM 1265 OD1 ASP A 83 -15.162 -11.104 -5.601 1.00 54.42 O ATOM 1266 OD2 ASP A 83 -13.103 -10.481 -5.294 1.00 65.44 O ATOM 0 H ASP A 83 -15.524 -6.836 -4.084 1.00 24.24 H new ATOM 0 HA ASP A 83 -16.927 -9.204 -4.841 1.00 74.02 H new ATOM 0 HB2 ASP A 83 -14.683 -8.224 -5.556 1.00 10.43 H new ATOM 0 HB3 ASP A 83 -14.075 -8.568 -3.949 1.00 10.43 H new ATOM 1271 N GLU A 84 -15.986 -8.972 -1.712 1.00 71.14 N ATOM 1272 CA GLU A 84 -16.205 -9.506 -0.370 1.00 41.32 C ATOM 1273 C GLU A 84 -17.511 -8.998 0.271 1.00 13.30 C ATOM 1274 O GLU A 84 -17.749 -9.287 1.449 1.00 63.04 O ATOM 1275 CB GLU A 84 -15.023 -9.079 0.517 1.00 32.12 C ATOM 1276 CG GLU A 84 -13.758 -9.939 0.414 1.00 42.13 C ATOM 1277 CD GLU A 84 -12.712 -9.534 1.467 1.00 10.33 C ATOM 1278 OE1 GLU A 84 -12.890 -8.529 2.196 1.00 73.31 O ATOM 1279 OE2 GLU A 84 -11.655 -10.197 1.570 1.00 23.04 O ATOM 0 H GLU A 84 -15.517 -8.066 -1.705 1.00 71.14 H new ATOM 0 HA GLU A 84 -16.284 -10.590 -0.452 1.00 41.32 H new ATOM 0 HB2 GLU A 84 -14.760 -8.051 0.267 1.00 32.12 H new ATOM 0 HB3 GLU A 84 -15.355 -9.080 1.555 1.00 32.12 H new ATOM 0 HG2 GLU A 84 -14.019 -10.989 0.545 1.00 42.13 H new ATOM 0 HG3 GLU A 84 -13.329 -9.839 -0.583 1.00 42.13 H new ATOM 1286 N LEU A 85 -18.304 -8.148 -0.396 1.00 3.14 N ATOM 1287 CA LEU A 85 -19.483 -7.528 0.221 1.00 12.44 C ATOM 1288 C LEU A 85 -20.509 -8.600 0.507 1.00 62.04 C ATOM 1289 O LEU A 85 -20.948 -8.706 1.672 1.00 25.21 O ATOM 1290 CB LEU A 85 -20.084 -6.445 -0.693 1.00 24.42 C ATOM 1291 CG LEU A 85 -21.435 -5.886 -0.204 1.00 25.43 C ATOM 1292 CD1 LEU A 85 -21.259 -5.092 1.091 1.00 1.24 C ATOM 1293 CD2 LEU A 85 -22.013 -4.962 -1.274 1.00 70.05 C ATOM 0 H LEU A 85 -18.149 -7.874 -1.366 1.00 3.14 H new ATOM 0 HA LEU A 85 -19.183 -7.045 1.151 1.00 12.44 H new ATOM 0 HB2 LEU A 85 -19.373 -5.623 -0.780 1.00 24.42 H new ATOM 0 HB3 LEU A 85 -20.215 -6.860 -1.692 1.00 24.42 H new ATOM 0 HG LEU A 85 -22.108 -6.722 -0.016 1.00 25.43 H new ATOM 0 HD11 LEU A 85 -22.226 -4.708 1.416 1.00 1.24 H new ATOM 0 HD12 LEU A 85 -20.848 -5.742 1.863 1.00 1.24 H new ATOM 0 HD13 LEU A 85 -20.577 -4.259 0.917 1.00 1.24 H new ATOM 0 HD21 LEU A 85 -22.969 -4.564 -0.933 1.00 70.05 H new ATOM 0 HD22 LEU A 85 -21.322 -4.139 -1.457 1.00 70.05 H new ATOM 0 HD23 LEU A 85 -22.162 -5.522 -2.197 1.00 70.05 H new TER 1305 LEU A 85