USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 740 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 90 HIS : no HE2:sc= -0.508 K(o=-0.51,f=-2.4!) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN : amide:sc= -1.39! K(o=-1.4!,f=-2.5) USER MOD Set 2.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 74 LYS NZ :NH3+ 135:sc= 1.13 (180deg=0) USER MOD Set 3.2: A 78 GLN : amide:sc= -0.154 K(o=0.97,f=-8.4!) USER MOD Set 4.1: A 67 SER OG : rot -160:sc= 1.14 USER MOD Set 4.2: A 86 ASN : amide:sc= 0.00893 K(o=1.1,f=-7.6!) USER MOD Set 5.1: A 42 ASN : amide:sc= -0.621 K(o=-0.6,f=-2.5!) USER MOD Set 5.2: A 57 THR OG1 : rot -170:sc= 0.0196 USER MOD Set 6.1: A 37 ASN : amide:sc= -3.98! C(o=-4.3!,f=-7.4!) USER MOD Set 6.2: A 53 ASN : amide:sc= -0.31 K(o=-4.3,f=-9.2!) USER MOD Set 7.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 8.1: A 19 THR OG1 : rot -68:sc= 1.09 USER MOD Set 8.2: A 33 SER OG : rot 180:sc= 0.938 USER MOD Set 9.1: A 11 SER OG : rot 180:sc= 0.306 USER MOD Set 9.2: A 20 SER OG : rot 116:sc= 0.185 USER MOD Set10.1: A 7 THR OG1 : rot -160:sc= 0.0247 USER MOD Set10.2: A 93 ASN : amide:sc= -0.249 K(o=-0.22,f=-5.4!) USER MOD Set11.1: A 1 LEU N :NH3+ 159:sc= -4.21! (180deg=-0.645) USER MOD Set11.2: A 3 LYS NZ :NH3+ -157:sc= -3.27! (180deg=-1.31) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc=-0.00266 F(o=-1,f=-0.0027) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.05 K(o=-1,f=-2.8!) USER MOD Single : A 14 GLN : amide:sc= -0.0212 K(o=-0.021,f=-1.8!) USER MOD Single : A 16 SER OG : rot 109:sc= 0.632 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.747 F(o=-3.4!,f=-0.75) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0241 (180deg=-0.398) USER MOD Single : A 50 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.096) USER MOD Single : A 52 SER OG : rot 42:sc= 0.582! USER MOD Single : A 60 ASN : amide:sc= -0.519 K(o=-0.52,f=-2.7!) USER MOD Single : A 61 THR OG1 : rot 154:sc= 1.28 USER MOD Single : A 62 GLN : amide:sc=-0.00679 K(o=-0.0068,f=-1.6!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0877 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -100:sc= -0.144 USER MOD Single : A 84 LYS NZ :NH3+ 163:sc= -0.0237 (180deg=-0.306) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 84.440 11.634 -3.772 1.00 0.30 N ATOM 2 CA LEU A 1 83.493 10.639 -4.352 1.00 0.28 C ATOM 3 C LEU A 1 82.454 10.248 -3.303 1.00 0.26 C ATOM 4 O LEU A 1 82.770 10.014 -2.154 1.00 0.27 O ATOM 5 CB LEU A 1 84.251 9.379 -4.784 1.00 0.29 C ATOM 6 CG LEU A 1 85.305 9.728 -5.842 1.00 0.33 C ATOM 7 CD1 LEU A 1 86.127 8.474 -6.160 1.00 0.34 C ATOM 8 CD2 LEU A 1 84.623 10.238 -7.125 1.00 0.42 C ATOM 0 H1 LEU A 1 85.322 11.635 -4.323 1.00 0.30 H new ATOM 0 H2 LEU A 1 84.011 12.581 -3.803 1.00 0.30 H new ATOM 0 H3 LEU A 1 84.648 11.381 -2.785 1.00 0.30 H new ATOM 0 HA LEU A 1 83.003 11.087 -5.217 1.00 0.28 H new ATOM 0 HB2 LEU A 1 84.732 8.921 -3.919 1.00 0.29 H new ATOM 0 HB3 LEU A 1 83.552 8.646 -5.186 1.00 0.29 H new ATOM 0 HG LEU A 1 85.957 10.512 -5.457 1.00 0.33 H new ATOM 0 HD11 LEU A 1 86.879 8.713 -6.912 1.00 0.34 H new ATOM 0 HD12 LEU A 1 86.619 8.122 -5.253 1.00 0.34 H new ATOM 0 HD13 LEU A 1 85.468 7.694 -6.541 1.00 0.34 H new ATOM 0 HD21 LEU A 1 85.382 10.482 -7.868 1.00 0.42 H new ATOM 0 HD22 LEU A 1 83.965 9.464 -7.520 1.00 0.42 H new ATOM 0 HD23 LEU A 1 84.039 11.129 -6.897 1.00 0.42 H new ATOM 22 N GLY A 2 81.214 10.187 -3.692 1.00 0.24 N ATOM 23 CA GLY A 2 80.140 9.816 -2.728 1.00 0.24 C ATOM 24 C GLY A 2 80.036 10.876 -1.628 1.00 0.25 C ATOM 25 O GLY A 2 80.071 12.054 -1.911 1.00 0.33 O ATOM 0 H GLY A 2 80.894 10.379 -4.641 1.00 0.24 H new ATOM 0 HA2 GLY A 2 79.187 9.726 -3.249 1.00 0.24 H new ATOM 0 HA3 GLY A 2 80.355 8.843 -2.287 1.00 0.24 H new ATOM 29 N LYS A 3 79.883 10.454 -0.381 1.00 0.23 N ATOM 30 CA LYS A 3 79.746 11.391 0.787 1.00 0.23 C ATOM 31 C LYS A 3 78.344 12.005 0.808 1.00 0.19 C ATOM 32 O LYS A 3 78.097 13.004 1.454 1.00 0.20 O ATOM 33 CB LYS A 3 80.822 12.491 0.781 1.00 0.28 C ATOM 34 CG LYS A 3 82.207 11.838 0.870 1.00 0.34 C ATOM 35 CD LYS A 3 83.300 12.916 0.911 1.00 1.04 C ATOM 36 CE LYS A 3 83.376 13.669 -0.426 1.00 1.30 C ATOM 37 NZ LYS A 3 83.187 12.722 -1.562 1.00 1.98 N ATOM 0 H LYS A 3 79.847 9.468 -0.124 1.00 0.23 H new ATOM 0 HA LYS A 3 79.895 10.807 1.695 1.00 0.23 H new ATOM 0 HB2 LYS A 3 80.745 13.087 -0.128 1.00 0.28 H new ATOM 0 HB3 LYS A 3 80.671 13.169 1.621 1.00 0.28 H new ATOM 0 HG2 LYS A 3 82.267 11.215 1.762 1.00 0.34 H new ATOM 0 HG3 LYS A 3 82.364 11.183 0.013 1.00 0.34 H new ATOM 0 HD2 LYS A 3 83.093 13.619 1.718 1.00 1.04 H new ATOM 0 HD3 LYS A 3 84.263 12.455 1.129 1.00 1.04 H new ATOM 0 HE2 LYS A 3 82.611 14.445 -0.459 1.00 1.30 H new ATOM 0 HE3 LYS A 3 84.341 14.168 -0.516 1.00 1.30 H new ATOM 0 HZ1 LYS A 3 83.611 13.123 -2.423 1.00 1.98 H new ATOM 0 HZ2 LYS A 3 83.647 11.816 -1.339 1.00 1.98 H new ATOM 0 HZ3 LYS A 3 82.171 12.565 -1.717 1.00 1.98 H new ATOM 51 N PHE A 4 77.421 11.397 0.116 1.00 0.17 N ATOM 52 CA PHE A 4 76.020 11.910 0.091 1.00 0.17 C ATOM 53 C PHE A 4 75.538 12.218 1.515 1.00 0.16 C ATOM 54 O PHE A 4 74.569 12.928 1.699 1.00 0.15 O ATOM 55 CB PHE A 4 75.107 10.835 -0.523 1.00 0.18 C ATOM 56 CG PHE A 4 74.862 9.732 0.494 1.00 0.18 C ATOM 57 CD1 PHE A 4 75.800 8.710 0.668 1.00 0.21 C ATOM 58 CD2 PHE A 4 73.697 9.750 1.274 1.00 0.19 C ATOM 59 CE1 PHE A 4 75.575 7.706 1.616 1.00 0.24 C ATOM 60 CE2 PHE A 4 73.474 8.747 2.225 1.00 0.23 C ATOM 61 CZ PHE A 4 74.413 7.725 2.395 1.00 0.25 C ATOM 0 H PHE A 4 77.579 10.557 -0.440 1.00 0.17 H new ATOM 0 HA PHE A 4 75.986 12.824 -0.501 1.00 0.17 H new ATOM 0 HB2 PHE A 4 74.159 11.279 -0.828 1.00 0.18 H new ATOM 0 HB3 PHE A 4 75.568 10.421 -1.420 1.00 0.18 H new ATOM 0 HD1 PHE A 4 76.699 8.696 0.070 1.00 0.21 H new ATOM 0 HD2 PHE A 4 72.971 10.538 1.141 1.00 0.19 H new ATOM 0 HE1 PHE A 4 76.299 6.915 1.747 1.00 0.24 H new ATOM 0 HE2 PHE A 4 72.577 8.763 2.827 1.00 0.23 H new ATOM 0 HZ PHE A 4 74.241 6.950 3.128 1.00 0.25 H new ATOM 71 N SER A 5 76.162 11.677 2.521 1.00 0.15 N ATOM 72 CA SER A 5 75.679 11.934 3.905 1.00 0.15 C ATOM 73 C SER A 5 75.935 13.388 4.300 1.00 0.14 C ATOM 74 O SER A 5 75.422 13.868 5.292 1.00 0.14 O ATOM 75 CB SER A 5 76.412 10.995 4.863 1.00 0.18 C ATOM 76 OG SER A 5 77.773 11.392 4.962 1.00 0.21 O ATOM 0 H SER A 5 76.980 11.072 2.447 1.00 0.15 H new ATOM 0 HA SER A 5 74.605 11.752 3.955 1.00 0.15 H new ATOM 0 HB2 SER A 5 75.942 11.020 5.846 1.00 0.18 H new ATOM 0 HB3 SER A 5 76.346 9.968 4.505 1.00 0.18 H new ATOM 0 HG SER A 5 78.245 10.792 5.577 1.00 0.21 H new ATOM 82 N GLN A 6 76.707 14.106 3.529 1.00 0.15 N ATOM 83 CA GLN A 6 76.971 15.535 3.860 1.00 0.16 C ATOM 84 C GLN A 6 75.723 16.382 3.607 1.00 0.14 C ATOM 85 O GLN A 6 75.537 17.408 4.231 1.00 0.15 O ATOM 86 CB GLN A 6 78.117 16.060 2.993 1.00 0.20 C ATOM 87 CG GLN A 6 79.432 15.414 3.433 1.00 0.25 C ATOM 88 CD GLN A 6 80.575 15.938 2.560 1.00 0.29 C ATOM 89 OE1 GLN A 6 80.325 16.305 1.332 1.00 0.93 O flip ATOM 90 NE2 GLN A 6 81.708 16.000 2.995 1.00 1.12 N flip ATOM 0 H GLN A 6 77.166 13.764 2.685 1.00 0.15 H new ATOM 0 HA GLN A 6 77.241 15.603 4.914 1.00 0.16 H new ATOM 0 HB2 GLN A 6 77.924 15.837 1.944 1.00 0.20 H new ATOM 0 HB3 GLN A 6 78.186 17.144 3.081 1.00 0.20 H new ATOM 0 HG2 GLN A 6 79.628 15.640 4.481 1.00 0.25 H new ATOM 0 HG3 GLN A 6 79.363 14.329 3.348 1.00 0.25 H new ATOM 0 HE21 GLN A 6 81.902 15.713 3.954 1.00 1.12 H new ATOM 0 HE22 GLN A 6 82.465 16.339 2.401 1.00 1.12 H new ATOM 99 N THR A 7 74.872 15.979 2.684 1.00 0.13 N ATOM 100 CA THR A 7 73.644 16.794 2.384 1.00 0.14 C ATOM 101 C THR A 7 72.374 15.936 2.448 1.00 0.13 C ATOM 102 O THR A 7 71.350 16.321 1.918 1.00 0.14 O ATOM 103 CB THR A 7 73.769 17.408 0.986 1.00 0.16 C ATOM 104 OG1 THR A 7 74.000 16.375 0.037 1.00 0.17 O ATOM 105 CG2 THR A 7 74.935 18.400 0.957 1.00 0.20 C ATOM 0 H THR A 7 74.974 15.128 2.130 1.00 0.13 H new ATOM 0 HA THR A 7 73.565 17.579 3.136 1.00 0.14 H new ATOM 0 HB THR A 7 72.846 17.933 0.738 1.00 0.16 H new ATOM 0 HG1 THR A 7 74.389 16.759 -0.777 1.00 0.17 H new ATOM 0 HG21 THR A 7 75.019 18.834 -0.040 1.00 0.20 H new ATOM 0 HG22 THR A 7 74.757 19.193 1.684 1.00 0.20 H new ATOM 0 HG23 THR A 7 75.861 17.881 1.206 1.00 0.20 H new ATOM 113 N CYS A 8 72.408 14.795 3.103 1.00 0.13 N ATOM 114 CA CYS A 8 71.170 13.946 3.211 1.00 0.13 C ATOM 115 C CYS A 8 70.981 13.546 4.678 1.00 0.13 C ATOM 116 O CYS A 8 71.929 13.512 5.439 1.00 0.14 O ATOM 117 CB CYS A 8 71.307 12.707 2.320 1.00 0.12 C ATOM 118 SG CYS A 8 71.578 13.233 0.604 1.00 0.12 S ATOM 0 H CYS A 8 73.234 14.416 3.565 1.00 0.13 H new ATOM 0 HA CYS A 8 70.297 14.506 2.874 1.00 0.13 H new ATOM 0 HB2 CYS A 8 72.139 12.090 2.660 1.00 0.12 H new ATOM 0 HB3 CYS A 8 70.408 12.094 2.388 1.00 0.12 H new ATOM 123 N TYR A 9 69.771 13.264 5.101 1.00 0.13 N ATOM 124 CA TYR A 9 69.553 12.888 6.537 1.00 0.14 C ATOM 125 C TYR A 9 68.393 11.890 6.661 1.00 0.14 C ATOM 126 O TYR A 9 67.723 11.580 5.696 1.00 0.14 O ATOM 127 CB TYR A 9 69.256 14.150 7.353 1.00 0.16 C ATOM 128 CG TYR A 9 67.898 14.700 6.997 1.00 0.18 C ATOM 129 CD1 TYR A 9 67.746 15.536 5.883 1.00 0.23 C ATOM 130 CD2 TYR A 9 66.792 14.380 7.788 1.00 0.21 C ATOM 131 CE1 TYR A 9 66.484 16.047 5.560 1.00 0.27 C ATOM 132 CE2 TYR A 9 65.528 14.893 7.466 1.00 0.26 C ATOM 133 CZ TYR A 9 65.375 15.726 6.352 1.00 0.27 C ATOM 134 OH TYR A 9 64.129 16.230 6.035 1.00 0.33 O ATOM 0 H TYR A 9 68.932 13.277 4.521 1.00 0.13 H new ATOM 0 HA TYR A 9 70.455 12.412 6.922 1.00 0.14 H new ATOM 0 HB2 TYR A 9 69.294 13.919 8.418 1.00 0.16 H new ATOM 0 HB3 TYR A 9 70.021 14.902 7.162 1.00 0.16 H new ATOM 0 HD1 TYR A 9 68.602 15.786 5.274 1.00 0.23 H new ATOM 0 HD2 TYR A 9 66.911 13.737 8.648 1.00 0.21 H new ATOM 0 HE1 TYR A 9 66.365 16.689 4.700 1.00 0.27 H new ATOM 0 HE2 TYR A 9 64.673 14.646 8.077 1.00 0.26 H new ATOM 0 HH TYR A 9 63.471 15.908 6.686 1.00 0.33 H new ATOM 144 N ASN A 10 68.180 11.361 7.840 1.00 0.15 N ATOM 145 CA ASN A 10 67.094 10.351 8.043 1.00 0.16 C ATOM 146 C ASN A 10 67.311 9.184 7.079 1.00 0.15 C ATOM 147 O ASN A 10 66.375 8.607 6.560 1.00 0.16 O ATOM 148 CB ASN A 10 65.711 10.979 7.802 1.00 0.18 C ATOM 149 CG ASN A 10 65.278 11.770 9.040 1.00 0.21 C ATOM 150 OD1 ASN A 10 65.930 11.723 10.065 1.00 0.81 O ATOM 151 ND2 ASN A 10 64.193 12.493 8.992 1.00 0.67 N ATOM 0 H ASN A 10 68.716 11.587 8.678 1.00 0.15 H new ATOM 0 HA ASN A 10 67.130 9.994 9.072 1.00 0.16 H new ATOM 0 HB2 ASN A 10 65.746 11.636 6.933 1.00 0.18 H new ATOM 0 HB3 ASN A 10 64.981 10.200 7.583 1.00 0.18 H new ATOM 0 HD21 ASN A 10 63.893 13.018 9.814 1.00 0.67 H new ATOM 0 HD22 ASN A 10 63.645 12.534 8.133 1.00 0.67 H new ATOM 158 N SER A 11 68.545 8.836 6.836 1.00 0.14 N ATOM 159 CA SER A 11 68.837 7.707 5.913 1.00 0.14 C ATOM 160 C SER A 11 68.352 6.399 6.529 1.00 0.13 C ATOM 161 O SER A 11 68.401 6.196 7.726 1.00 0.14 O ATOM 162 CB SER A 11 70.343 7.619 5.666 1.00 0.15 C ATOM 163 OG SER A 11 70.787 8.812 5.038 1.00 0.18 O ATOM 0 H SER A 11 69.366 9.288 7.239 1.00 0.14 H new ATOM 0 HA SER A 11 68.321 7.878 4.968 1.00 0.14 H new ATOM 0 HB2 SER A 11 70.870 7.473 6.609 1.00 0.15 H new ATOM 0 HB3 SER A 11 70.570 6.758 5.038 1.00 0.15 H new ATOM 0 HG SER A 11 71.753 8.759 4.880 1.00 0.18 H new ATOM 169 N ALA A 12 67.880 5.510 5.700 1.00 0.13 N ATOM 170 CA ALA A 12 67.371 4.202 6.206 1.00 0.13 C ATOM 171 C ALA A 12 67.687 3.104 5.192 1.00 0.13 C ATOM 172 O ALA A 12 67.837 3.356 4.011 1.00 0.13 O ATOM 173 CB ALA A 12 65.856 4.305 6.391 1.00 0.13 C ATOM 0 H ALA A 12 67.824 5.633 4.689 1.00 0.13 H new ATOM 0 HA ALA A 12 67.847 3.959 7.156 1.00 0.13 H new ATOM 0 HB1 ALA A 12 65.469 3.355 6.761 1.00 0.13 H new ATOM 0 HB2 ALA A 12 65.630 5.093 7.109 1.00 0.13 H new ATOM 0 HB3 ALA A 12 65.388 4.540 5.435 1.00 0.13 H new ATOM 179 N ILE A 13 67.788 1.884 5.657 1.00 0.13 N ATOM 180 CA ILE A 13 68.086 0.735 4.747 1.00 0.14 C ATOM 181 C ILE A 13 67.125 -0.411 5.050 1.00 0.14 C ATOM 182 O ILE A 13 66.914 -0.784 6.187 1.00 0.16 O ATOM 183 CB ILE A 13 69.549 0.280 4.926 1.00 0.14 C ATOM 184 CG1 ILE A 13 70.471 1.326 4.286 1.00 0.15 C ATOM 185 CG2 ILE A 13 69.763 -1.076 4.243 1.00 0.16 C ATOM 186 CD1 ILE A 13 71.923 1.134 4.731 1.00 0.17 C ATOM 0 H ILE A 13 67.675 1.632 6.639 1.00 0.13 H new ATOM 0 HA ILE A 13 67.952 1.047 3.711 1.00 0.14 H new ATOM 0 HB ILE A 13 69.775 0.180 5.988 1.00 0.14 H new ATOM 0 HG12 ILE A 13 70.409 1.253 3.200 1.00 0.15 H new ATOM 0 HG13 ILE A 13 70.134 2.326 4.558 1.00 0.15 H new ATOM 0 HG21 ILE A 13 70.799 -1.390 4.374 1.00 0.16 H new ATOM 0 HG22 ILE A 13 69.100 -1.817 4.689 1.00 0.16 H new ATOM 0 HG23 ILE A 13 69.543 -0.986 3.179 1.00 0.16 H new ATOM 0 HD11 ILE A 13 72.551 1.890 4.260 1.00 0.17 H new ATOM 0 HD12 ILE A 13 71.987 1.232 5.815 1.00 0.17 H new ATOM 0 HD13 ILE A 13 72.266 0.143 4.435 1.00 0.17 H new ATOM 198 N GLN A 14 66.547 -0.974 4.024 1.00 0.14 N ATOM 199 CA GLN A 14 65.597 -2.110 4.203 1.00 0.16 C ATOM 200 C GLN A 14 65.948 -3.162 3.156 1.00 0.15 C ATOM 201 O GLN A 14 65.788 -2.951 1.970 1.00 0.15 O ATOM 202 CB GLN A 14 64.166 -1.618 3.985 1.00 0.18 C ATOM 203 CG GLN A 14 63.176 -2.709 4.392 1.00 0.23 C ATOM 204 CD GLN A 14 61.754 -2.146 4.337 1.00 1.00 C ATOM 205 OE1 GLN A 14 61.566 -0.946 4.289 1.00 1.65 O ATOM 206 NE2 GLN A 14 60.738 -2.964 4.346 1.00 1.56 N ATOM 0 H GLN A 14 66.695 -0.691 3.055 1.00 0.14 H new ATOM 0 HA GLN A 14 65.670 -2.527 5.208 1.00 0.16 H new ATOM 0 HB2 GLN A 14 63.989 -0.716 4.571 1.00 0.18 H new ATOM 0 HB3 GLN A 14 64.018 -1.352 2.938 1.00 0.18 H new ATOM 0 HG2 GLN A 14 63.266 -3.566 3.724 1.00 0.23 H new ATOM 0 HG3 GLN A 14 63.401 -3.063 5.398 1.00 0.23 H new ATOM 0 HE21 GLN A 14 60.894 -3.971 4.386 1.00 1.56 H new ATOM 0 HE22 GLN A 14 59.787 -2.597 4.313 1.00 1.56 H new ATOM 215 N GLY A 15 66.458 -4.274 3.576 1.00 0.17 N ATOM 216 CA GLY A 15 66.853 -5.301 2.582 1.00 0.16 C ATOM 217 C GLY A 15 68.067 -4.766 1.817 1.00 0.14 C ATOM 218 O GLY A 15 69.096 -4.488 2.399 1.00 0.14 O ATOM 0 H GLY A 15 66.619 -4.518 4.553 1.00 0.17 H new ATOM 0 HA2 GLY A 15 67.097 -6.240 3.079 1.00 0.16 H new ATOM 0 HA3 GLY A 15 66.030 -5.507 1.898 1.00 0.16 H new ATOM 222 N SER A 16 67.949 -4.587 0.523 1.00 0.12 N ATOM 223 CA SER A 16 69.088 -4.034 -0.286 1.00 0.12 C ATOM 224 C SER A 16 68.733 -2.626 -0.787 1.00 0.11 C ATOM 225 O SER A 16 69.439 -2.051 -1.593 1.00 0.12 O ATOM 226 CB SER A 16 69.335 -4.945 -1.489 1.00 0.14 C ATOM 227 OG SER A 16 68.161 -4.996 -2.289 1.00 0.20 O ATOM 0 H SER A 16 67.108 -4.801 -0.013 1.00 0.12 H new ATOM 0 HA SER A 16 69.982 -3.983 0.335 1.00 0.12 H new ATOM 0 HB2 SER A 16 70.173 -4.571 -2.077 1.00 0.14 H new ATOM 0 HB3 SER A 16 69.603 -5.946 -1.152 1.00 0.14 H new ATOM 0 HG SER A 16 68.314 -4.509 -3.126 1.00 0.20 H new ATOM 233 N VAL A 17 67.625 -2.078 -0.348 1.00 0.11 N ATOM 234 CA VAL A 17 67.201 -0.723 -0.840 1.00 0.11 C ATOM 235 C VAL A 17 67.668 0.412 0.089 1.00 0.11 C ATOM 236 O VAL A 17 67.318 0.468 1.251 1.00 0.13 O ATOM 237 CB VAL A 17 65.672 -0.694 -0.929 1.00 0.14 C ATOM 238 CG1 VAL A 17 65.196 0.710 -1.313 1.00 0.16 C ATOM 239 CG2 VAL A 17 65.207 -1.696 -1.988 1.00 0.19 C ATOM 0 H VAL A 17 66.995 -2.508 0.329 1.00 0.11 H new ATOM 0 HA VAL A 17 67.662 -0.561 -1.814 1.00 0.11 H new ATOM 0 HB VAL A 17 65.252 -0.960 0.041 1.00 0.14 H new ATOM 0 HG11 VAL A 17 64.108 0.721 -1.374 1.00 0.16 H new ATOM 0 HG12 VAL A 17 65.525 1.425 -0.558 1.00 0.16 H new ATOM 0 HG13 VAL A 17 65.616 0.985 -2.280 1.00 0.16 H new ATOM 0 HG21 VAL A 17 64.119 -1.678 -2.054 1.00 0.19 H new ATOM 0 HG22 VAL A 17 65.633 -1.428 -2.955 1.00 0.19 H new ATOM 0 HG23 VAL A 17 65.537 -2.697 -1.711 1.00 0.19 H new ATOM 249 N LEU A 18 68.407 1.348 -0.446 1.00 0.11 N ATOM 250 CA LEU A 18 68.841 2.533 0.364 1.00 0.12 C ATOM 251 C LEU A 18 67.821 3.642 0.115 1.00 0.12 C ATOM 252 O LEU A 18 67.519 3.975 -1.009 1.00 0.13 O ATOM 253 CB LEU A 18 70.244 2.994 -0.069 1.00 0.14 C ATOM 254 CG LEU A 18 70.601 4.351 0.570 1.00 0.17 C ATOM 255 CD1 LEU A 18 70.577 4.239 2.098 1.00 0.24 C ATOM 256 CD2 LEU A 18 72.006 4.762 0.118 1.00 0.20 C ATOM 0 H LEU A 18 68.732 1.346 -1.413 1.00 0.11 H new ATOM 0 HA LEU A 18 68.890 2.280 1.423 1.00 0.12 H new ATOM 0 HB2 LEU A 18 70.982 2.246 0.221 1.00 0.14 H new ATOM 0 HB3 LEU A 18 70.284 3.077 -1.155 1.00 0.14 H new ATOM 0 HG LEU A 18 69.871 5.097 0.256 1.00 0.17 H new ATOM 0 HD11 LEU A 18 70.831 5.204 2.538 1.00 0.24 H new ATOM 0 HD12 LEU A 18 69.581 3.942 2.425 1.00 0.24 H new ATOM 0 HD13 LEU A 18 71.302 3.492 2.419 1.00 0.24 H new ATOM 0 HD21 LEU A 18 72.266 5.721 0.566 1.00 0.20 H new ATOM 0 HD22 LEU A 18 72.725 4.007 0.434 1.00 0.20 H new ATOM 0 HD23 LEU A 18 72.027 4.851 -0.968 1.00 0.20 H new ATOM 268 N THR A 19 67.288 4.215 1.167 1.00 0.13 N ATOM 269 CA THR A 19 66.272 5.305 1.021 1.00 0.14 C ATOM 270 C THR A 19 66.716 6.513 1.849 1.00 0.14 C ATOM 271 O THR A 19 67.109 6.379 2.991 1.00 0.14 O ATOM 272 CB THR A 19 64.935 4.770 1.540 1.00 0.16 C ATOM 273 OG1 THR A 19 64.529 3.673 0.734 1.00 0.20 O ATOM 274 CG2 THR A 19 63.851 5.849 1.508 1.00 0.19 C ATOM 0 H THR A 19 67.516 3.971 2.131 1.00 0.13 H new ATOM 0 HA THR A 19 66.171 5.612 -0.020 1.00 0.14 H new ATOM 0 HB THR A 19 65.070 4.455 2.575 1.00 0.16 H new ATOM 0 HG1 THR A 19 64.306 3.993 -0.165 1.00 0.20 H new ATOM 0 HG21 THR A 19 62.915 5.435 1.883 1.00 0.19 H new ATOM 0 HG22 THR A 19 64.154 6.688 2.135 1.00 0.19 H new ATOM 0 HG23 THR A 19 63.711 6.194 0.483 1.00 0.19 H new ATOM 282 N SER A 20 66.678 7.688 1.295 1.00 0.14 N ATOM 283 CA SER A 20 67.133 8.864 2.098 1.00 0.15 C ATOM 284 C SER A 20 66.537 10.166 1.558 1.00 0.14 C ATOM 285 O SER A 20 66.165 10.272 0.404 1.00 0.14 O ATOM 286 CB SER A 20 68.660 8.942 2.026 1.00 0.16 C ATOM 287 OG SER A 20 69.112 10.049 2.795 1.00 0.22 O ATOM 0 H SER A 20 66.361 7.889 0.346 1.00 0.14 H new ATOM 0 HA SER A 20 66.799 8.738 3.128 1.00 0.15 H new ATOM 0 HB2 SER A 20 69.101 8.019 2.403 1.00 0.16 H new ATOM 0 HB3 SER A 20 68.981 9.049 0.990 1.00 0.16 H new ATOM 0 HG SER A 20 69.660 9.727 3.541 1.00 0.22 H new ATOM 293 N THR A 21 66.467 11.168 2.402 1.00 0.16 N ATOM 294 CA THR A 21 65.925 12.494 1.973 1.00 0.16 C ATOM 295 C THR A 21 67.118 13.408 1.689 1.00 0.15 C ATOM 296 O THR A 21 67.955 13.612 2.547 1.00 0.17 O ATOM 297 CB THR A 21 65.083 13.083 3.110 1.00 0.19 C ATOM 298 OG1 THR A 21 63.978 12.227 3.370 1.00 0.22 O ATOM 299 CG2 THR A 21 64.577 14.471 2.718 1.00 0.25 C ATOM 0 H THR A 21 66.765 11.122 3.377 1.00 0.16 H new ATOM 0 HA THR A 21 65.301 12.394 1.085 1.00 0.16 H new ATOM 0 HB THR A 21 65.697 13.169 4.006 1.00 0.19 H new ATOM 0 HG1 THR A 21 63.439 12.601 4.098 1.00 0.22 H new ATOM 0 HG21 THR A 21 63.979 14.883 3.531 1.00 0.25 H new ATOM 0 HG22 THR A 21 65.426 15.126 2.523 1.00 0.25 H new ATOM 0 HG23 THR A 21 63.964 14.395 1.820 1.00 0.25 H new ATOM 307 N CYS A 22 67.219 13.950 0.494 1.00 0.14 N ATOM 308 CA CYS A 22 68.384 14.839 0.159 1.00 0.15 C ATOM 309 C CYS A 22 67.913 16.232 -0.258 1.00 0.15 C ATOM 310 O CYS A 22 66.805 16.419 -0.724 1.00 0.16 O ATOM 311 CB CYS A 22 69.176 14.201 -0.983 1.00 0.14 C ATOM 312 SG CYS A 22 69.915 12.653 -0.394 1.00 0.14 S ATOM 0 H CYS A 22 66.547 13.816 -0.262 1.00 0.14 H new ATOM 0 HA CYS A 22 69.012 14.947 1.044 1.00 0.15 H new ATOM 0 HB2 CYS A 22 68.522 14.007 -1.833 1.00 0.14 H new ATOM 0 HB3 CYS A 22 69.954 14.882 -1.329 1.00 0.14 H new ATOM 317 N GLU A 23 68.760 17.211 -0.088 1.00 0.18 N ATOM 318 CA GLU A 23 68.400 18.605 -0.464 1.00 0.19 C ATOM 319 C GLU A 23 68.638 18.849 -1.956 1.00 0.19 C ATOM 320 O GLU A 23 69.639 18.459 -2.523 1.00 0.22 O ATOM 321 CB GLU A 23 69.236 19.596 0.349 1.00 0.24 C ATOM 322 CG GLU A 23 68.728 21.014 0.078 1.00 0.27 C ATOM 323 CD GLU A 23 69.402 21.995 1.040 1.00 0.32 C ATOM 324 OE1 GLU A 23 70.181 21.546 1.864 1.00 0.36 O ATOM 325 OE2 GLU A 23 69.128 23.179 0.934 1.00 0.35 O ATOM 0 H GLU A 23 69.697 17.101 0.300 1.00 0.18 H new ATOM 0 HA GLU A 23 67.341 18.751 -0.250 1.00 0.19 H new ATOM 0 HB2 GLU A 23 69.164 19.367 1.412 1.00 0.24 H new ATOM 0 HB3 GLU A 23 70.288 19.514 0.076 1.00 0.24 H new ATOM 0 HG2 GLU A 23 68.941 21.296 -0.953 1.00 0.27 H new ATOM 0 HG3 GLU A 23 67.646 21.053 0.202 1.00 0.27 H new ATOM 332 N ARG A 24 67.705 19.522 -2.577 1.00 0.20 N ATOM 333 CA ARG A 24 67.811 19.855 -4.026 1.00 0.23 C ATOM 334 C ARG A 24 68.727 21.066 -4.205 1.00 0.25 C ATOM 335 O ARG A 24 68.919 21.857 -3.303 1.00 0.24 O ATOM 336 CB ARG A 24 66.424 20.207 -4.566 1.00 0.24 C ATOM 337 CG ARG A 24 65.551 18.951 -4.613 1.00 0.34 C ATOM 338 CD ARG A 24 64.192 19.303 -5.221 1.00 0.51 C ATOM 339 NE ARG A 24 63.276 18.133 -5.096 1.00 0.97 N ATOM 340 CZ ARG A 24 62.001 18.271 -5.337 1.00 1.52 C ATOM 341 NH1 ARG A 24 61.533 19.422 -5.737 1.00 1.87 N ATOM 342 NH2 ARG A 24 61.194 17.256 -5.188 1.00 2.24 N ATOM 0 H ARG A 24 66.854 19.862 -2.128 1.00 0.20 H new ATOM 0 HA ARG A 24 68.217 18.999 -4.564 1.00 0.23 H new ATOM 0 HB2 ARG A 24 65.958 20.961 -3.932 1.00 0.24 H new ATOM 0 HB3 ARG A 24 66.511 20.638 -5.563 1.00 0.24 H new ATOM 0 HG2 ARG A 24 66.038 18.177 -5.206 1.00 0.34 H new ATOM 0 HG3 ARG A 24 65.420 18.548 -3.609 1.00 0.34 H new ATOM 0 HD2 ARG A 24 63.767 20.168 -4.712 1.00 0.51 H new ATOM 0 HD3 ARG A 24 64.310 19.576 -6.270 1.00 0.51 H new ATOM 0 HE ARG A 24 63.647 17.223 -4.822 1.00 0.97 H new ATOM 0 HH11 ARG A 24 62.164 20.214 -5.861 1.00 1.87 H new ATOM 0 HH12 ARG A 24 60.536 19.530 -5.925 1.00 1.87 H new ATOM 0 HH21 ARG A 24 61.560 16.354 -4.883 1.00 2.24 H new ATOM 0 HH22 ARG A 24 60.198 17.365 -5.377 1.00 2.24 H new ATOM 356 N THR A 25 69.314 21.194 -5.363 1.00 0.32 N ATOM 357 CA THR A 25 70.244 22.328 -5.624 1.00 0.37 C ATOM 358 C THR A 25 69.521 23.666 -5.462 1.00 0.34 C ATOM 359 O THR A 25 70.082 24.622 -4.966 1.00 0.35 O ATOM 360 CB THR A 25 70.781 22.219 -7.053 1.00 0.45 C ATOM 361 OG1 THR A 25 71.473 20.988 -7.203 1.00 1.12 O ATOM 362 CG2 THR A 25 71.742 23.378 -7.326 1.00 1.23 C ATOM 0 H THR A 25 69.187 20.554 -6.147 1.00 0.32 H new ATOM 0 HA THR A 25 71.064 22.281 -4.907 1.00 0.37 H new ATOM 0 HB THR A 25 69.951 22.260 -7.758 1.00 0.45 H new ATOM 0 HG1 THR A 25 71.816 20.915 -8.118 1.00 1.12 H new ATOM 0 HG21 THR A 25 72.125 23.301 -8.344 1.00 1.23 H new ATOM 0 HG22 THR A 25 71.214 24.324 -7.208 1.00 1.23 H new ATOM 0 HG23 THR A 25 72.573 23.336 -6.622 1.00 1.23 H new ATOM 370 N ASN A 26 68.296 23.759 -5.920 1.00 0.32 N ATOM 371 CA ASN A 26 67.562 25.062 -5.827 1.00 0.30 C ATOM 372 C ASN A 26 66.727 25.121 -4.543 1.00 0.27 C ATOM 373 O ASN A 26 65.713 25.786 -4.486 1.00 0.25 O ATOM 374 CB ASN A 26 66.650 25.225 -7.046 1.00 0.31 C ATOM 375 CG ASN A 26 66.194 26.681 -7.152 1.00 1.30 C ATOM 376 OD1 ASN A 26 66.550 27.531 -6.231 1.00 1.98 O flip ATOM 377 ND2 ASN A 26 65.503 27.047 -8.083 1.00 2.23 N flip ATOM 0 H ASN A 26 67.775 22.996 -6.351 1.00 0.32 H new ATOM 0 HA ASN A 26 68.290 25.873 -5.804 1.00 0.30 H new ATOM 0 HB2 ASN A 26 67.181 24.932 -7.952 1.00 0.31 H new ATOM 0 HB3 ASN A 26 65.785 24.568 -6.957 1.00 0.31 H new ATOM 0 HD21 ASN A 26 65.224 26.381 -8.804 1.00 2.23 H new ATOM 0 HD22 ASN A 26 65.202 28.020 -8.143 1.00 2.23 H new ATOM 384 N GLY A 27 67.153 24.453 -3.506 1.00 0.27 N ATOM 385 CA GLY A 27 66.389 24.496 -2.226 1.00 0.26 C ATOM 386 C GLY A 27 65.190 23.545 -2.288 1.00 0.23 C ATOM 387 O GLY A 27 64.710 23.204 -3.349 1.00 0.22 O ATOM 0 H GLY A 27 67.996 23.880 -3.489 1.00 0.27 H new ATOM 0 HA2 GLY A 27 67.040 24.217 -1.397 1.00 0.26 H new ATOM 0 HA3 GLY A 27 66.046 25.513 -2.034 1.00 0.26 H new ATOM 391 N GLY A 28 64.762 23.057 -1.149 1.00 0.23 N ATOM 392 CA GLY A 28 63.644 22.054 -1.117 1.00 0.23 C ATOM 393 C GLY A 28 64.266 20.712 -0.718 1.00 0.23 C ATOM 394 O GLY A 28 65.428 20.651 -0.374 1.00 0.24 O ATOM 0 H GLY A 28 65.138 23.309 -0.235 1.00 0.23 H new ATOM 0 HA2 GLY A 28 62.877 22.352 -0.402 1.00 0.23 H new ATOM 0 HA3 GLY A 28 63.161 21.982 -2.091 1.00 0.23 H new ATOM 398 N TYR A 29 63.531 19.628 -0.783 1.00 0.22 N ATOM 399 CA TYR A 29 64.124 18.298 -0.432 1.00 0.21 C ATOM 400 C TYR A 29 63.634 17.250 -1.427 1.00 0.20 C ATOM 401 O TYR A 29 62.544 17.341 -1.955 1.00 0.21 O ATOM 402 CB TYR A 29 63.723 17.885 0.996 1.00 0.24 C ATOM 403 CG TYR A 29 64.623 18.575 2.000 1.00 0.27 C ATOM 404 CD1 TYR A 29 65.931 18.104 2.208 1.00 0.27 C ATOM 405 CD2 TYR A 29 64.155 19.681 2.719 1.00 0.31 C ATOM 406 CE1 TYR A 29 66.762 18.741 3.137 1.00 0.32 C ATOM 407 CE2 TYR A 29 64.989 20.316 3.647 1.00 0.35 C ATOM 408 CZ TYR A 29 66.292 19.846 3.855 1.00 0.36 C ATOM 409 OH TYR A 29 67.113 20.473 4.771 1.00 0.42 O ATOM 0 H TYR A 29 62.550 19.606 -1.063 1.00 0.22 H new ATOM 0 HA TYR A 29 65.210 18.373 -0.478 1.00 0.21 H new ATOM 0 HB2 TYR A 29 62.683 18.151 1.183 1.00 0.24 H new ATOM 0 HB3 TYR A 29 63.800 16.803 1.107 1.00 0.24 H new ATOM 0 HD1 TYR A 29 66.294 17.252 1.652 1.00 0.27 H new ATOM 0 HD2 TYR A 29 63.151 20.044 2.558 1.00 0.31 H new ATOM 0 HE1 TYR A 29 67.767 18.379 3.300 1.00 0.32 H new ATOM 0 HE2 TYR A 29 64.628 21.169 4.203 1.00 0.35 H new ATOM 0 HH TYR A 29 66.633 21.223 5.181 1.00 0.42 H new ATOM 419 N ASN A 30 64.439 16.251 -1.674 1.00 0.19 N ATOM 420 CA ASN A 30 64.056 15.167 -2.636 1.00 0.20 C ATOM 421 C ASN A 30 64.184 13.815 -1.938 1.00 0.19 C ATOM 422 O ASN A 30 65.081 13.604 -1.145 1.00 0.21 O ATOM 423 CB ASN A 30 64.999 15.208 -3.842 1.00 0.23 C ATOM 424 CG ASN A 30 64.558 14.164 -4.872 1.00 0.27 C ATOM 425 OD1 ASN A 30 63.380 13.913 -5.032 1.00 0.42 O ATOM 426 ND2 ASN A 30 65.459 13.543 -5.583 1.00 0.35 N ATOM 0 H ASN A 30 65.358 16.135 -1.246 1.00 0.19 H new ATOM 0 HA ASN A 30 63.029 15.313 -2.971 1.00 0.20 H new ATOM 0 HB2 ASN A 30 64.991 16.202 -4.290 1.00 0.23 H new ATOM 0 HB3 ASN A 30 66.022 15.010 -3.524 1.00 0.23 H new ATOM 0 HD21 ASN A 30 65.174 12.847 -6.273 1.00 0.35 H new ATOM 0 HD22 ASN A 30 66.448 13.753 -5.449 1.00 0.35 H new ATOM 433 N THR A 31 63.281 12.901 -2.215 1.00 0.18 N ATOM 434 CA THR A 31 63.324 11.551 -1.564 1.00 0.17 C ATOM 435 C THR A 31 63.469 10.499 -2.664 1.00 0.15 C ATOM 436 O THR A 31 62.742 10.519 -3.638 1.00 0.17 O ATOM 437 CB THR A 31 62.002 11.368 -0.814 1.00 0.21 C ATOM 438 OG1 THR A 31 61.883 12.397 0.157 1.00 0.28 O ATOM 439 CG2 THR A 31 61.925 10.016 -0.102 1.00 0.23 C ATOM 0 H THR A 31 62.510 13.035 -2.870 1.00 0.18 H new ATOM 0 HA THR A 31 64.158 11.454 -0.869 1.00 0.17 H new ATOM 0 HB THR A 31 61.194 11.412 -1.544 1.00 0.21 H new ATOM 0 HG1 THR A 31 61.039 12.292 0.643 1.00 0.28 H new ATOM 0 HG21 THR A 31 60.970 9.932 0.416 1.00 0.23 H new ATOM 0 HG22 THR A 31 62.013 9.214 -0.834 1.00 0.23 H new ATOM 0 HG23 THR A 31 62.738 9.938 0.620 1.00 0.23 H new ATOM 447 N SER A 32 64.396 9.590 -2.549 1.00 0.15 N ATOM 448 CA SER A 32 64.554 8.577 -3.637 1.00 0.16 C ATOM 449 C SER A 32 65.130 7.274 -3.090 1.00 0.16 C ATOM 450 O SER A 32 65.608 7.196 -1.975 1.00 0.17 O ATOM 451 CB SER A 32 65.483 9.131 -4.716 1.00 0.20 C ATOM 452 OG SER A 32 66.785 9.299 -4.173 1.00 0.27 O ATOM 0 H SER A 32 65.042 9.502 -1.765 1.00 0.15 H new ATOM 0 HA SER A 32 63.572 8.369 -4.061 1.00 0.16 H new ATOM 0 HB2 SER A 32 65.516 8.451 -5.567 1.00 0.20 H new ATOM 0 HB3 SER A 32 65.104 10.084 -5.084 1.00 0.20 H new ATOM 0 HG SER A 32 67.342 9.798 -4.807 1.00 0.27 H new ATOM 458 N SER A 33 65.071 6.243 -3.892 1.00 0.16 N ATOM 459 CA SER A 33 65.590 4.910 -3.476 1.00 0.16 C ATOM 460 C SER A 33 66.378 4.286 -4.627 1.00 0.14 C ATOM 461 O SER A 33 66.068 4.477 -5.785 1.00 0.15 O ATOM 462 CB SER A 33 64.413 4.000 -3.118 1.00 0.18 C ATOM 463 OG SER A 33 63.859 4.419 -1.878 1.00 0.24 O ATOM 0 H SER A 33 64.678 6.271 -4.833 1.00 0.16 H new ATOM 0 HA SER A 33 66.242 5.027 -2.611 1.00 0.16 H new ATOM 0 HB2 SER A 33 63.655 4.040 -3.901 1.00 0.18 H new ATOM 0 HB3 SER A 33 64.746 2.964 -3.050 1.00 0.18 H new ATOM 0 HG SER A 33 63.103 3.840 -1.645 1.00 0.24 H new ATOM 469 N ILE A 34 67.393 3.527 -4.308 1.00 0.14 N ATOM 470 CA ILE A 34 68.213 2.870 -5.370 1.00 0.14 C ATOM 471 C ILE A 34 68.616 1.476 -4.892 1.00 0.13 C ATOM 472 O ILE A 34 68.970 1.283 -3.746 1.00 0.16 O ATOM 473 CB ILE A 34 69.472 3.708 -5.633 1.00 0.17 C ATOM 474 CG1 ILE A 34 70.227 3.128 -6.832 1.00 0.21 C ATOM 475 CG2 ILE A 34 70.380 3.687 -4.401 1.00 0.17 C ATOM 476 CD1 ILE A 34 71.304 4.115 -7.285 1.00 0.28 C ATOM 0 H ILE A 34 67.691 3.332 -3.352 1.00 0.14 H new ATOM 0 HA ILE A 34 67.635 2.791 -6.291 1.00 0.14 H new ATOM 0 HB ILE A 34 69.180 4.737 -5.845 1.00 0.17 H new ATOM 0 HG12 ILE A 34 70.683 2.175 -6.562 1.00 0.21 H new ATOM 0 HG13 ILE A 34 69.534 2.929 -7.650 1.00 0.21 H new ATOM 0 HG21 ILE A 34 71.271 4.284 -4.596 1.00 0.17 H new ATOM 0 HG22 ILE A 34 69.844 4.102 -3.547 1.00 0.17 H new ATOM 0 HG23 ILE A 34 70.672 2.660 -4.182 1.00 0.17 H new ATOM 0 HD11 ILE A 34 71.841 3.701 -8.139 1.00 0.28 H new ATOM 0 HD12 ILE A 34 70.837 5.057 -7.572 1.00 0.28 H new ATOM 0 HD13 ILE A 34 72.003 4.291 -6.467 1.00 0.28 H new ATOM 488 N ASP A 35 68.570 0.499 -5.756 1.00 0.14 N ATOM 489 CA ASP A 35 68.951 -0.878 -5.334 1.00 0.14 C ATOM 490 C ASP A 35 70.478 -0.999 -5.347 1.00 0.13 C ATOM 491 O ASP A 35 71.108 -0.906 -6.382 1.00 0.14 O ATOM 492 CB ASP A 35 68.341 -1.903 -6.298 1.00 0.15 C ATOM 493 CG ASP A 35 68.369 -3.293 -5.651 1.00 0.16 C ATOM 494 OD1 ASP A 35 68.997 -3.430 -4.615 1.00 0.18 O ATOM 495 OD2 ASP A 35 67.766 -4.195 -6.209 1.00 0.20 O ATOM 0 H ASP A 35 68.286 0.594 -6.731 1.00 0.14 H new ATOM 0 HA ASP A 35 68.576 -1.071 -4.329 1.00 0.14 H new ATOM 0 HB2 ASP A 35 67.316 -1.624 -6.541 1.00 0.15 H new ATOM 0 HB3 ASP A 35 68.899 -1.915 -7.234 1.00 0.15 H new ATOM 500 N LEU A 36 71.077 -1.225 -4.210 1.00 0.13 N ATOM 501 CA LEU A 36 72.562 -1.367 -4.156 1.00 0.14 C ATOM 502 C LEU A 36 72.945 -2.773 -4.605 1.00 0.13 C ATOM 503 O LEU A 36 74.107 -3.101 -4.734 1.00 0.13 O ATOM 504 CB LEU A 36 73.053 -1.161 -2.723 1.00 0.16 C ATOM 505 CG LEU A 36 72.682 0.240 -2.219 1.00 0.17 C ATOM 506 CD1 LEU A 36 72.925 0.312 -0.706 1.00 0.22 C ATOM 507 CD2 LEU A 36 73.548 1.296 -2.924 1.00 0.24 C ATOM 0 H LEU A 36 70.601 -1.318 -3.312 1.00 0.13 H new ATOM 0 HA LEU A 36 73.017 -0.622 -4.809 1.00 0.14 H new ATOM 0 HB2 LEU A 36 72.614 -1.916 -2.071 1.00 0.16 H new ATOM 0 HB3 LEU A 36 74.134 -1.294 -2.681 1.00 0.16 H new ATOM 0 HG LEU A 36 71.632 0.435 -2.436 1.00 0.17 H new ATOM 0 HD11 LEU A 36 72.663 1.306 -0.342 1.00 0.22 H new ATOM 0 HD12 LEU A 36 72.309 -0.433 -0.203 1.00 0.22 H new ATOM 0 HD13 LEU A 36 73.976 0.115 -0.497 1.00 0.22 H new ATOM 0 HD21 LEU A 36 73.279 2.288 -2.561 1.00 0.24 H new ATOM 0 HD22 LEU A 36 74.600 1.105 -2.712 1.00 0.24 H new ATOM 0 HD23 LEU A 36 73.380 1.245 -4.000 1.00 0.24 H new ATOM 519 N ASN A 37 71.977 -3.608 -4.833 1.00 0.13 N ATOM 520 CA ASN A 37 72.282 -4.998 -5.254 1.00 0.12 C ATOM 521 C ASN A 37 73.096 -4.977 -6.548 1.00 0.11 C ATOM 522 O ASN A 37 73.949 -5.814 -6.765 1.00 0.11 O ATOM 523 CB ASN A 37 70.969 -5.752 -5.482 1.00 0.14 C ATOM 524 CG ASN A 37 71.269 -7.216 -5.798 1.00 0.15 C ATOM 525 OD1 ASN A 37 71.975 -7.514 -6.742 1.00 0.24 O ATOM 526 ND2 ASN A 37 70.758 -8.146 -5.040 1.00 0.22 N ATOM 0 H ASN A 37 70.985 -3.388 -4.746 1.00 0.13 H new ATOM 0 HA ASN A 37 72.861 -5.498 -4.477 1.00 0.12 H new ATOM 0 HB2 ASN A 37 70.339 -5.682 -4.595 1.00 0.14 H new ATOM 0 HB3 ASN A 37 70.415 -5.298 -6.303 1.00 0.14 H new ATOM 0 HD21 ASN A 37 70.950 -9.128 -5.238 1.00 0.22 H new ATOM 0 HD22 ASN A 37 70.166 -7.891 -4.249 1.00 0.22 H new ATOM 533 N SER A 38 72.824 -4.053 -7.421 1.00 0.12 N ATOM 534 CA SER A 38 73.567 -4.001 -8.711 1.00 0.12 C ATOM 535 C SER A 38 75.003 -3.482 -8.518 1.00 0.12 C ATOM 536 O SER A 38 75.708 -3.272 -9.485 1.00 0.13 O ATOM 537 CB SER A 38 72.821 -3.085 -9.683 1.00 0.12 C ATOM 538 OG SER A 38 72.911 -1.740 -9.231 1.00 1.29 O ATOM 0 H SER A 38 72.117 -3.328 -7.299 1.00 0.12 H new ATOM 0 HA SER A 38 73.627 -5.013 -9.111 1.00 0.12 H new ATOM 0 HB2 SER A 38 73.247 -3.173 -10.682 1.00 0.12 H new ATOM 0 HB3 SER A 38 71.776 -3.387 -9.754 1.00 0.12 H new ATOM 0 HG SER A 38 72.435 -1.153 -9.854 1.00 1.29 H new ATOM 544 N VAL A 39 75.448 -3.237 -7.301 1.00 0.12 N ATOM 545 CA VAL A 39 76.848 -2.711 -7.121 1.00 0.13 C ATOM 546 C VAL A 39 77.578 -3.387 -5.937 1.00 0.14 C ATOM 547 O VAL A 39 78.738 -3.118 -5.710 1.00 0.16 O ATOM 548 CB VAL A 39 76.792 -1.187 -6.905 1.00 0.14 C ATOM 549 CG1 VAL A 39 76.625 -0.476 -8.253 1.00 0.15 C ATOM 550 CG2 VAL A 39 75.605 -0.833 -6.005 1.00 0.17 C ATOM 0 H VAL A 39 74.916 -3.375 -6.442 1.00 0.12 H new ATOM 0 HA VAL A 39 77.414 -2.944 -8.023 1.00 0.13 H new ATOM 0 HB VAL A 39 77.720 -0.865 -6.433 1.00 0.14 H new ATOM 0 HG11 VAL A 39 76.586 0.602 -8.094 1.00 0.15 H new ATOM 0 HG12 VAL A 39 77.470 -0.717 -8.899 1.00 0.15 H new ATOM 0 HG13 VAL A 39 75.700 -0.806 -8.727 1.00 0.15 H new ATOM 0 HG21 VAL A 39 75.571 0.246 -5.856 1.00 0.17 H new ATOM 0 HG22 VAL A 39 74.680 -1.164 -6.476 1.00 0.17 H new ATOM 0 HG23 VAL A 39 75.719 -1.329 -5.041 1.00 0.17 H new ATOM 560 N ILE A 40 76.928 -4.258 -5.188 1.00 0.14 N ATOM 561 CA ILE A 40 77.624 -4.932 -4.021 1.00 0.15 C ATOM 562 C ILE A 40 77.733 -6.454 -4.220 1.00 0.13 C ATOM 563 O ILE A 40 76.772 -7.128 -4.531 1.00 0.13 O ATOM 564 CB ILE A 40 76.868 -4.651 -2.721 1.00 0.17 C ATOM 565 CG1 ILE A 40 76.857 -3.147 -2.452 1.00 0.24 C ATOM 566 CG2 ILE A 40 77.570 -5.351 -1.554 1.00 0.17 C ATOM 567 CD1 ILE A 40 75.841 -2.830 -1.355 1.00 0.27 C ATOM 0 H ILE A 40 75.956 -4.532 -5.328 1.00 0.14 H new ATOM 0 HA ILE A 40 78.631 -4.520 -3.965 1.00 0.15 H new ATOM 0 HB ILE A 40 75.847 -5.022 -2.816 1.00 0.17 H new ATOM 0 HG12 ILE A 40 77.850 -2.814 -2.149 1.00 0.24 H new ATOM 0 HG13 ILE A 40 76.604 -2.606 -3.364 1.00 0.24 H new ATOM 0 HG21 ILE A 40 77.029 -5.149 -0.630 1.00 0.17 H new ATOM 0 HG22 ILE A 40 77.591 -6.426 -1.734 1.00 0.17 H new ATOM 0 HG23 ILE A 40 78.590 -4.977 -1.466 1.00 0.17 H new ATOM 0 HD11 ILE A 40 75.834 -1.757 -1.164 1.00 0.27 H new ATOM 0 HD12 ILE A 40 74.849 -3.148 -1.675 1.00 0.27 H new ATOM 0 HD13 ILE A 40 76.114 -3.359 -0.442 1.00 0.27 H new ATOM 579 N GLU A 41 78.924 -6.986 -4.017 1.00 0.14 N ATOM 580 CA GLU A 41 79.171 -8.465 -4.156 1.00 0.13 C ATOM 581 C GLU A 41 79.736 -9.003 -2.839 1.00 0.12 C ATOM 582 O GLU A 41 80.367 -8.289 -2.092 1.00 0.12 O ATOM 583 CB GLU A 41 80.210 -8.709 -5.269 1.00 0.16 C ATOM 584 CG GLU A 41 80.746 -10.149 -5.221 1.00 0.19 C ATOM 585 CD GLU A 41 81.530 -10.442 -6.500 1.00 0.24 C ATOM 586 OE1 GLU A 41 81.612 -9.558 -7.336 1.00 0.33 O ATOM 587 OE2 GLU A 41 82.038 -11.545 -6.621 1.00 0.30 O ATOM 0 H GLU A 41 79.749 -6.446 -3.756 1.00 0.14 H new ATOM 0 HA GLU A 41 78.236 -8.968 -4.402 1.00 0.13 H new ATOM 0 HB2 GLU A 41 79.757 -8.519 -6.242 1.00 0.16 H new ATOM 0 HB3 GLU A 41 81.036 -8.006 -5.160 1.00 0.16 H new ATOM 0 HG2 GLU A 41 81.388 -10.281 -4.350 1.00 0.19 H new ATOM 0 HG3 GLU A 41 79.920 -10.853 -5.118 1.00 0.19 H new ATOM 594 N ASN A 42 79.560 -10.275 -2.577 1.00 0.12 N ATOM 595 CA ASN A 42 80.122 -10.898 -1.345 1.00 0.12 C ATOM 596 C ASN A 42 81.409 -11.618 -1.754 1.00 0.12 C ATOM 597 O ASN A 42 81.375 -12.533 -2.551 1.00 0.12 O ATOM 598 CB ASN A 42 79.111 -11.912 -0.802 1.00 0.14 C ATOM 599 CG ASN A 42 79.642 -12.543 0.486 1.00 0.14 C ATOM 600 OD1 ASN A 42 80.638 -12.104 1.029 1.00 0.19 O ATOM 601 ND2 ASN A 42 79.011 -13.565 0.999 1.00 0.27 N ATOM 0 H ASN A 42 79.041 -10.916 -3.177 1.00 0.12 H new ATOM 0 HA ASN A 42 80.326 -10.154 -0.575 1.00 0.12 H new ATOM 0 HB2 ASN A 42 78.158 -11.420 -0.609 1.00 0.14 H new ATOM 0 HB3 ASN A 42 78.925 -12.686 -1.546 1.00 0.14 H new ATOM 0 HD21 ASN A 42 79.353 -13.997 1.857 1.00 0.27 H new ATOM 0 HD22 ASN A 42 78.176 -13.931 0.541 1.00 0.27 H new ATOM 608 N VAL A 43 82.546 -11.213 -1.229 1.00 0.12 N ATOM 609 CA VAL A 43 83.837 -11.882 -1.614 1.00 0.14 C ATOM 610 C VAL A 43 84.416 -12.648 -0.426 1.00 0.13 C ATOM 611 O VAL A 43 85.049 -12.101 0.456 1.00 0.13 O ATOM 612 CB VAL A 43 84.838 -10.825 -2.087 1.00 0.16 C ATOM 613 CG1 VAL A 43 86.136 -11.516 -2.511 1.00 0.21 C ATOM 614 CG2 VAL A 43 84.244 -10.065 -3.283 1.00 0.22 C ATOM 0 H VAL A 43 82.636 -10.453 -0.555 1.00 0.12 H new ATOM 0 HA VAL A 43 83.642 -12.588 -2.421 1.00 0.14 H new ATOM 0 HB VAL A 43 85.046 -10.124 -1.279 1.00 0.16 H new ATOM 0 HG11 VAL A 43 86.853 -10.768 -2.849 1.00 0.21 H new ATOM 0 HG12 VAL A 43 86.552 -12.060 -1.663 1.00 0.21 H new ATOM 0 HG13 VAL A 43 85.929 -12.213 -3.323 1.00 0.21 H new ATOM 0 HG21 VAL A 43 84.953 -9.311 -3.624 1.00 0.22 H new ATOM 0 HG22 VAL A 43 84.041 -10.764 -4.094 1.00 0.22 H new ATOM 0 HG23 VAL A 43 83.316 -9.580 -2.981 1.00 0.22 H new ATOM 624 N ASP A 44 84.205 -13.929 -0.434 1.00 0.13 N ATOM 625 CA ASP A 44 84.727 -14.825 0.631 1.00 0.14 C ATOM 626 C ASP A 44 84.453 -14.265 2.030 1.00 0.13 C ATOM 627 O ASP A 44 85.274 -14.399 2.917 1.00 0.14 O ATOM 628 CB ASP A 44 86.234 -15.023 0.432 1.00 0.16 C ATOM 629 CG ASP A 44 86.719 -16.187 1.301 1.00 0.17 C ATOM 630 OD1 ASP A 44 86.018 -16.533 2.238 1.00 0.16 O ATOM 631 OD2 ASP A 44 87.781 -16.712 1.013 1.00 0.23 O ATOM 0 H ASP A 44 83.674 -14.410 -1.160 1.00 0.13 H new ATOM 0 HA ASP A 44 84.211 -15.782 0.554 1.00 0.14 H new ATOM 0 HB2 ASP A 44 86.449 -15.225 -0.617 1.00 0.16 H new ATOM 0 HB3 ASP A 44 86.769 -14.111 0.697 1.00 0.16 H new ATOM 636 N GLY A 45 83.297 -13.674 2.255 1.00 0.14 N ATOM 637 CA GLY A 45 82.968 -13.152 3.627 1.00 0.16 C ATOM 638 C GLY A 45 82.759 -11.629 3.672 1.00 0.14 C ATOM 639 O GLY A 45 82.184 -11.138 4.623 1.00 0.13 O ATOM 0 H GLY A 45 82.571 -13.531 1.552 1.00 0.14 H new ATOM 0 HA2 GLY A 45 82.065 -13.645 3.987 1.00 0.16 H new ATOM 0 HA3 GLY A 45 83.773 -13.420 4.311 1.00 0.16 H new ATOM 643 N SER A 46 83.245 -10.858 2.720 1.00 0.14 N ATOM 644 CA SER A 46 83.100 -9.358 2.812 1.00 0.14 C ATOM 645 C SER A 46 82.332 -8.761 1.632 1.00 0.13 C ATOM 646 O SER A 46 82.440 -9.202 0.504 1.00 0.15 O ATOM 647 CB SER A 46 84.497 -8.740 2.834 1.00 0.16 C ATOM 648 OG SER A 46 85.213 -9.158 1.678 1.00 1.34 O ATOM 0 H SER A 46 83.732 -11.196 1.890 1.00 0.14 H new ATOM 0 HA SER A 46 82.537 -9.138 3.719 1.00 0.14 H new ATOM 0 HB2 SER A 46 84.426 -7.653 2.859 1.00 0.16 H new ATOM 0 HB3 SER A 46 85.028 -9.045 3.735 1.00 0.16 H new ATOM 0 HG SER A 46 86.110 -8.762 1.688 1.00 1.34 H new ATOM 654 N LEU A 47 81.592 -7.712 1.896 1.00 0.12 N ATOM 655 CA LEU A 47 80.837 -7.013 0.819 1.00 0.12 C ATOM 656 C LEU A 47 81.786 -6.058 0.082 1.00 0.13 C ATOM 657 O LEU A 47 82.444 -5.239 0.695 1.00 0.15 O ATOM 658 CB LEU A 47 79.696 -6.193 1.441 1.00 0.14 C ATOM 659 CG LEU A 47 78.755 -7.108 2.236 1.00 0.15 C ATOM 660 CD1 LEU A 47 77.663 -6.257 2.895 1.00 0.25 C ATOM 661 CD2 LEU A 47 78.108 -8.143 1.301 1.00 0.25 C ATOM 0 H LEU A 47 81.480 -7.308 2.826 1.00 0.12 H new ATOM 0 HA LEU A 47 80.427 -7.748 0.126 1.00 0.12 H new ATOM 0 HB2 LEU A 47 80.106 -5.425 2.096 1.00 0.14 H new ATOM 0 HB3 LEU A 47 79.139 -5.680 0.657 1.00 0.14 H new ATOM 0 HG LEU A 47 79.326 -7.633 3.001 1.00 0.15 H new ATOM 0 HD11 LEU A 47 76.991 -6.902 3.461 1.00 0.25 H new ATOM 0 HD12 LEU A 47 78.123 -5.532 3.567 1.00 0.25 H new ATOM 0 HD13 LEU A 47 77.098 -5.731 2.126 1.00 0.25 H new ATOM 0 HD21 LEU A 47 77.442 -8.787 1.876 1.00 0.25 H new ATOM 0 HD22 LEU A 47 77.537 -7.628 0.528 1.00 0.25 H new ATOM 0 HD23 LEU A 47 78.885 -8.749 0.835 1.00 0.25 H new ATOM 673 N LYS A 48 81.852 -6.147 -1.230 1.00 0.13 N ATOM 674 CA LYS A 48 82.749 -5.232 -2.023 1.00 0.16 C ATOM 675 C LYS A 48 81.925 -4.501 -3.083 1.00 0.15 C ATOM 676 O LYS A 48 80.808 -4.867 -3.368 1.00 0.14 O ATOM 677 CB LYS A 48 83.869 -6.024 -2.711 1.00 0.21 C ATOM 678 CG LYS A 48 84.892 -6.503 -1.672 1.00 0.28 C ATOM 679 CD LYS A 48 86.186 -6.911 -2.381 1.00 0.87 C ATOM 680 CE LYS A 48 87.142 -7.547 -1.373 1.00 1.19 C ATOM 681 NZ LYS A 48 87.485 -6.549 -0.320 1.00 1.84 N ATOM 0 H LYS A 48 81.322 -6.816 -1.789 1.00 0.13 H new ATOM 0 HA LYS A 48 83.199 -4.514 -1.338 1.00 0.16 H new ATOM 0 HB2 LYS A 48 83.448 -6.879 -3.239 1.00 0.21 H new ATOM 0 HB3 LYS A 48 84.361 -5.400 -3.456 1.00 0.21 H new ATOM 0 HG2 LYS A 48 85.094 -5.710 -0.952 1.00 0.28 H new ATOM 0 HG3 LYS A 48 84.490 -7.347 -1.112 1.00 0.28 H new ATOM 0 HD2 LYS A 48 85.967 -7.615 -3.184 1.00 0.87 H new ATOM 0 HD3 LYS A 48 86.652 -6.039 -2.840 1.00 0.87 H new ATOM 0 HE2 LYS A 48 86.681 -8.425 -0.921 1.00 1.19 H new ATOM 0 HE3 LYS A 48 88.047 -7.886 -1.877 1.00 1.19 H new ATOM 0 HZ1 LYS A 48 88.314 -6.879 0.214 1.00 1.84 H new ATOM 0 HZ2 LYS A 48 87.702 -5.635 -0.766 1.00 1.84 H new ATOM 0 HZ3 LYS A 48 86.679 -6.436 0.327 1.00 1.84 H new ATOM 695 N TRP A 49 82.467 -3.463 -3.660 1.00 0.14 N ATOM 696 CA TRP A 49 81.701 -2.682 -4.685 1.00 0.13 C ATOM 697 C TRP A 49 81.643 -3.416 -6.039 1.00 0.13 C ATOM 698 O TRP A 49 82.401 -3.111 -6.940 1.00 0.13 O ATOM 699 CB TRP A 49 82.384 -1.320 -4.893 1.00 0.13 C ATOM 700 CG TRP A 49 82.071 -0.415 -3.747 1.00 0.13 C ATOM 701 CD1 TRP A 49 82.953 -0.011 -2.802 1.00 0.14 C ATOM 702 CD2 TRP A 49 80.799 0.202 -3.410 1.00 0.15 C ATOM 703 NE1 TRP A 49 82.298 0.817 -1.908 1.00 0.14 N ATOM 704 CE2 TRP A 49 80.969 0.980 -2.243 1.00 0.15 C ATOM 705 CE3 TRP A 49 79.525 0.162 -4.003 1.00 0.18 C ATOM 706 CZ2 TRP A 49 79.913 1.696 -1.686 1.00 0.17 C ATOM 707 CZ3 TRP A 49 78.457 0.881 -3.444 1.00 0.21 C ATOM 708 CH2 TRP A 49 78.652 1.650 -2.289 1.00 0.20 C ATOM 0 H TRP A 49 83.408 -3.118 -3.469 1.00 0.14 H new ATOM 0 HA TRP A 49 80.682 -2.558 -4.318 1.00 0.13 H new ATOM 0 HB2 TRP A 49 83.462 -1.453 -4.979 1.00 0.13 H new ATOM 0 HB3 TRP A 49 82.043 -0.871 -5.826 1.00 0.13 H new ATOM 0 HD1 TRP A 49 83.995 -0.289 -2.754 1.00 0.14 H new ATOM 0 HE1 TRP A 49 82.743 1.253 -1.100 1.00 0.14 H new ATOM 0 HE3 TRP A 49 79.367 -0.426 -4.895 1.00 0.18 H new ATOM 0 HZ2 TRP A 49 80.067 2.284 -0.793 1.00 0.17 H new ATOM 0 HZ3 TRP A 49 77.481 0.841 -3.906 1.00 0.21 H new ATOM 0 HH2 TRP A 49 77.829 2.207 -1.865 1.00 0.20 H new ATOM 719 N GLN A 50 80.752 -4.364 -6.203 1.00 0.12 N ATOM 720 CA GLN A 50 80.651 -5.088 -7.513 1.00 0.13 C ATOM 721 C GLN A 50 79.323 -5.884 -7.532 1.00 0.12 C ATOM 722 O GLN A 50 78.958 -6.468 -6.538 1.00 0.13 O ATOM 723 CB GLN A 50 81.847 -6.048 -7.643 1.00 0.16 C ATOM 724 CG GLN A 50 82.055 -6.462 -9.101 1.00 0.26 C ATOM 725 CD GLN A 50 83.349 -7.271 -9.213 1.00 1.10 C ATOM 726 OE1 GLN A 50 84.061 -7.168 -10.192 1.00 1.88 O ATOM 727 NE2 GLN A 50 83.682 -8.081 -8.245 1.00 1.92 N ATOM 0 H GLN A 50 80.091 -4.669 -5.489 1.00 0.12 H new ATOM 0 HA GLN A 50 80.665 -4.385 -8.346 1.00 0.13 H new ATOM 0 HB2 GLN A 50 82.749 -5.566 -7.265 1.00 0.16 H new ATOM 0 HB3 GLN A 50 81.677 -6.933 -7.030 1.00 0.16 H new ATOM 0 HG2 GLN A 50 81.209 -7.056 -9.447 1.00 0.26 H new ATOM 0 HG3 GLN A 50 82.107 -5.579 -9.739 1.00 0.26 H new ATOM 0 HE21 GLN A 50 83.084 -8.167 -7.423 1.00 1.92 H new ATOM 0 HE22 GLN A 50 84.540 -8.628 -8.310 1.00 1.92 H new ATOM 736 N PRO A 51 78.582 -5.901 -8.632 1.00 0.11 N ATOM 737 CA PRO A 51 77.276 -6.651 -8.702 1.00 0.11 C ATOM 738 C PRO A 51 77.437 -8.180 -8.595 1.00 0.12 C ATOM 739 O PRO A 51 78.360 -8.750 -9.134 1.00 0.14 O ATOM 740 CB PRO A 51 76.709 -6.280 -10.089 1.00 0.13 C ATOM 741 CG PRO A 51 77.890 -5.841 -10.895 1.00 0.15 C ATOM 742 CD PRO A 51 78.875 -5.212 -9.909 1.00 0.14 C ATOM 0 HA PRO A 51 76.631 -6.379 -7.866 1.00 0.11 H new ATOM 0 HB2 PRO A 51 76.212 -7.133 -10.552 1.00 0.13 H new ATOM 0 HB3 PRO A 51 75.969 -5.484 -10.011 1.00 0.13 H new ATOM 0 HG2 PRO A 51 78.344 -6.687 -11.411 1.00 0.15 H new ATOM 0 HG3 PRO A 51 77.593 -5.123 -11.659 1.00 0.15 H new ATOM 0 HD2 PRO A 51 79.908 -5.368 -10.220 1.00 0.14 H new ATOM 0 HD3 PRO A 51 78.726 -4.135 -9.826 1.00 0.14 H new ATOM 750 N SER A 52 76.509 -8.835 -7.928 1.00 0.11 N ATOM 751 CA SER A 52 76.553 -10.329 -7.793 1.00 0.12 C ATOM 752 C SER A 52 75.405 -10.788 -6.880 1.00 0.15 C ATOM 753 O SER A 52 75.394 -11.904 -6.402 1.00 0.32 O ATOM 754 CB SER A 52 77.881 -10.782 -7.178 1.00 0.12 C ATOM 755 OG SER A 52 78.909 -10.741 -8.160 1.00 0.29 O ATOM 0 H SER A 52 75.715 -8.391 -7.467 1.00 0.11 H new ATOM 0 HA SER A 52 76.454 -10.769 -8.785 1.00 0.12 H new ATOM 0 HB2 SER A 52 78.142 -10.137 -6.339 1.00 0.12 H new ATOM 0 HB3 SER A 52 77.783 -11.794 -6.784 1.00 0.12 H new ATOM 0 HG SER A 52 78.821 -9.922 -8.691 1.00 0.29 H new ATOM 761 N ASN A 53 74.444 -9.936 -6.633 1.00 0.16 N ATOM 762 CA ASN A 53 73.303 -10.329 -5.751 1.00 0.16 C ATOM 763 C ASN A 53 73.825 -10.704 -4.357 1.00 0.10 C ATOM 764 O ASN A 53 73.651 -11.812 -3.893 1.00 0.12 O ATOM 765 CB ASN A 53 72.574 -11.526 -6.379 1.00 0.23 C ATOM 766 CG ASN A 53 71.164 -11.640 -5.795 1.00 0.28 C ATOM 767 OD1 ASN A 53 70.767 -10.843 -4.969 1.00 0.27 O ATOM 768 ND2 ASN A 53 70.386 -12.610 -6.193 1.00 0.48 N ATOM 0 H ASN A 53 74.399 -8.986 -7.003 1.00 0.16 H new ATOM 0 HA ASN A 53 72.612 -9.492 -5.651 1.00 0.16 H new ATOM 0 HB2 ASN A 53 72.520 -11.404 -7.461 1.00 0.23 H new ATOM 0 HB3 ASN A 53 73.131 -12.443 -6.189 1.00 0.23 H new ATOM 0 HD21 ASN A 53 69.445 -12.698 -5.810 1.00 0.48 H new ATOM 0 HD22 ASN A 53 70.719 -13.279 -6.887 1.00 0.48 H new ATOM 775 N PHE A 54 74.482 -9.787 -3.697 1.00 0.09 N ATOM 776 CA PHE A 54 75.041 -10.086 -2.341 1.00 0.09 C ATOM 777 C PHE A 54 73.928 -10.481 -1.356 1.00 0.09 C ATOM 778 O PHE A 54 74.094 -11.369 -0.544 1.00 0.14 O ATOM 779 CB PHE A 54 75.787 -8.851 -1.809 1.00 0.11 C ATOM 780 CG PHE A 54 74.818 -7.831 -1.239 1.00 0.10 C ATOM 781 CD1 PHE A 54 74.227 -6.873 -2.071 1.00 0.12 C ATOM 782 CD2 PHE A 54 74.522 -7.844 0.133 1.00 0.11 C ATOM 783 CE1 PHE A 54 73.341 -5.926 -1.533 1.00 0.13 C ATOM 784 CE2 PHE A 54 73.637 -6.898 0.670 1.00 0.12 C ATOM 785 CZ PHE A 54 73.048 -5.939 -0.164 1.00 0.12 C ATOM 0 H PHE A 54 74.657 -8.841 -4.037 1.00 0.09 H new ATOM 0 HA PHE A 54 75.730 -10.926 -2.432 1.00 0.09 H new ATOM 0 HB2 PHE A 54 76.496 -9.154 -1.038 1.00 0.11 H new ATOM 0 HB3 PHE A 54 76.366 -8.397 -2.614 1.00 0.11 H new ATOM 0 HD1 PHE A 54 74.453 -6.862 -3.127 1.00 0.12 H new ATOM 0 HD2 PHE A 54 74.976 -8.583 0.776 1.00 0.11 H new ATOM 0 HE1 PHE A 54 72.885 -5.187 -2.176 1.00 0.13 H new ATOM 0 HE2 PHE A 54 73.410 -6.909 1.726 1.00 0.12 H new ATOM 0 HZ PHE A 54 72.367 -5.209 0.249 1.00 0.12 H new ATOM 795 N ILE A 55 72.811 -9.810 -1.402 1.00 11.77 N ATOM 796 CA ILE A 55 71.712 -10.129 -0.446 1.00 13.68 C ATOM 797 C ILE A 55 71.307 -11.602 -0.577 1.00 0.11 C ATOM 798 O ILE A 55 70.798 -12.196 0.353 1.00 0.12 O ATOM 799 CB ILE A 55 70.524 -9.177 -0.684 1.00 15.58 C ATOM 800 CG1 ILE A 55 69.309 -9.594 0.157 1.00 16.46 C ATOM 801 CG2 ILE A 55 70.124 -9.125 -2.160 1.00 20.33 C ATOM 802 CD1 ILE A 55 69.678 -9.599 1.641 1.00 19.63 C ATOM 0 H ILE A 55 72.611 -9.056 -2.059 1.00 11.77 H new ATOM 0 HA ILE A 55 72.058 -9.979 0.577 1.00 13.68 H new ATOM 0 HB ILE A 55 70.851 -8.183 -0.379 1.00 15.58 H new ATOM 0 HG12 ILE A 55 68.482 -8.906 -0.018 1.00 16.46 H new ATOM 0 HG13 ILE A 55 68.970 -10.585 -0.145 1.00 16.46 H new ATOM 0 HG21 ILE A 55 69.283 -8.443 -2.285 1.00 20.33 H new ATOM 0 HG22 ILE A 55 70.968 -8.773 -2.754 1.00 20.33 H new ATOM 0 HG23 ILE A 55 69.836 -10.122 -2.494 1.00 20.33 H new ATOM 0 HD11 ILE A 55 68.811 -9.896 2.231 1.00 19.63 H new ATOM 0 HD12 ILE A 55 70.491 -10.304 1.811 1.00 19.63 H new ATOM 0 HD13 ILE A 55 69.996 -8.600 1.940 1.00 19.63 H new ATOM 814 N GLU A 56 71.543 -12.205 -1.705 1.00 0.13 N ATOM 815 CA GLU A 56 71.181 -13.645 -1.854 1.00 0.15 C ATOM 816 C GLU A 56 71.998 -14.470 -0.850 1.00 0.13 C ATOM 817 O GLU A 56 71.534 -15.482 -0.363 1.00 0.14 O ATOM 818 CB GLU A 56 71.477 -14.121 -3.279 1.00 0.19 C ATOM 819 CG GLU A 56 71.010 -15.570 -3.441 1.00 0.23 C ATOM 820 CD GLU A 56 71.267 -16.034 -4.876 1.00 1.10 C ATOM 821 OE1 GLU A 56 71.604 -15.196 -5.698 1.00 1.62 O ATOM 822 OE2 GLU A 56 71.121 -17.218 -5.131 1.00 1.40 O ATOM 0 H GLU A 56 71.967 -11.771 -2.525 1.00 0.13 H new ATOM 0 HA GLU A 56 70.116 -13.773 -1.660 1.00 0.15 H new ATOM 0 HB2 GLU A 56 70.969 -13.481 -4.000 1.00 0.19 H new ATOM 0 HB3 GLU A 56 72.545 -14.047 -3.484 1.00 0.19 H new ATOM 0 HG2 GLU A 56 71.540 -16.214 -2.739 1.00 0.23 H new ATOM 0 HG3 GLU A 56 69.948 -15.649 -3.207 1.00 0.23 H new ATOM 829 N THR A 57 73.210 -14.053 -0.547 1.00 0.12 N ATOM 830 CA THR A 57 74.054 -14.839 0.430 1.00 0.11 C ATOM 831 C THR A 57 74.338 -14.009 1.687 1.00 0.11 C ATOM 832 O THR A 57 75.237 -14.316 2.444 1.00 0.11 O ATOM 833 CB THR A 57 75.380 -15.249 -0.222 1.00 0.13 C ATOM 834 OG1 THR A 57 76.130 -14.085 -0.546 1.00 0.14 O ATOM 835 CG2 THR A 57 75.106 -16.050 -1.496 1.00 0.18 C ATOM 0 H THR A 57 73.650 -13.214 -0.926 1.00 0.12 H new ATOM 0 HA THR A 57 73.500 -15.734 0.713 1.00 0.11 H new ATOM 0 HB THR A 57 75.947 -15.866 0.475 1.00 0.13 H new ATOM 0 HG1 THR A 57 76.898 -14.335 -1.101 1.00 0.14 H new ATOM 0 HG21 THR A 57 76.052 -16.339 -1.955 1.00 0.18 H new ATOM 0 HG22 THR A 57 74.535 -16.945 -1.248 1.00 0.18 H new ATOM 0 HG23 THR A 57 74.535 -15.438 -2.195 1.00 0.18 H new ATOM 843 N CYS A 58 73.582 -12.965 1.929 1.00 0.10 N ATOM 844 CA CYS A 58 73.811 -12.127 3.151 1.00 0.11 C ATOM 845 C CYS A 58 72.470 -11.839 3.827 1.00 0.10 C ATOM 846 O CYS A 58 71.425 -11.926 3.217 1.00 0.10 O ATOM 847 CB CYS A 58 74.485 -10.809 2.757 1.00 0.11 C ATOM 848 SG CYS A 58 76.153 -11.152 2.137 1.00 0.12 S ATOM 0 H CYS A 58 72.815 -12.656 1.332 1.00 0.10 H new ATOM 0 HA CYS A 58 74.459 -12.665 3.843 1.00 0.11 H new ATOM 0 HB2 CYS A 58 73.897 -10.301 1.992 1.00 0.11 H new ATOM 0 HB3 CYS A 58 74.534 -10.141 3.617 1.00 0.11 H new ATOM 853 N ARG A 59 72.491 -11.556 5.102 1.00 0.11 N ATOM 854 CA ARG A 59 71.215 -11.313 5.845 1.00 0.11 C ATOM 855 C ARG A 59 71.387 -10.190 6.872 1.00 0.12 C ATOM 856 O ARG A 59 72.465 -9.665 7.073 1.00 0.12 O ATOM 857 CB ARG A 59 70.817 -12.600 6.570 1.00 0.12 C ATOM 858 CG ARG A 59 71.925 -12.992 7.552 1.00 0.15 C ATOM 859 CD ARG A 59 71.657 -14.397 8.099 1.00 0.17 C ATOM 860 NE ARG A 59 72.761 -14.797 9.017 1.00 0.25 N ATOM 861 CZ ARG A 59 72.593 -15.792 9.846 1.00 0.30 C ATOM 862 NH1 ARG A 59 71.444 -16.409 9.901 1.00 0.31 N ATOM 863 NH2 ARG A 59 73.573 -16.167 10.623 1.00 0.39 N ATOM 0 H ARG A 59 73.338 -11.482 5.665 1.00 0.11 H new ATOM 0 HA ARG A 59 70.443 -11.017 5.135 1.00 0.11 H new ATOM 0 HB2 ARG A 59 69.877 -12.455 7.103 1.00 0.12 H new ATOM 0 HB3 ARG A 59 70.654 -13.401 5.849 1.00 0.12 H new ATOM 0 HG2 ARG A 59 72.893 -12.964 7.052 1.00 0.15 H new ATOM 0 HG3 ARG A 59 71.969 -12.275 8.371 1.00 0.15 H new ATOM 0 HD2 ARG A 59 70.705 -14.416 8.629 1.00 0.17 H new ATOM 0 HD3 ARG A 59 71.578 -15.109 7.277 1.00 0.17 H new ATOM 0 HE ARG A 59 73.648 -14.294 8.998 1.00 0.25 H new ATOM 0 HH11 ARG A 59 70.677 -16.114 9.296 1.00 0.31 H new ATOM 0 HH12 ARG A 59 71.313 -17.186 10.549 1.00 0.31 H new ATOM 0 HH21 ARG A 59 74.470 -15.683 10.583 1.00 0.39 H new ATOM 0 HH22 ARG A 59 73.442 -16.944 11.270 1.00 0.39 H new ATOM 877 N ASN A 60 70.319 -9.849 7.543 1.00 0.12 N ATOM 878 CA ASN A 60 70.371 -8.792 8.597 1.00 0.13 C ATOM 879 C ASN A 60 71.056 -7.517 8.089 1.00 0.12 C ATOM 880 O ASN A 60 71.939 -6.987 8.733 1.00 0.13 O ATOM 881 CB ASN A 60 71.119 -9.324 9.820 1.00 0.13 C ATOM 882 CG ASN A 60 70.964 -8.349 10.986 1.00 0.18 C ATOM 883 OD1 ASN A 60 70.219 -7.393 10.900 1.00 1.08 O ATOM 884 ND2 ASN A 60 71.643 -8.551 12.084 1.00 1.14 N ATOM 0 H ASN A 60 69.398 -10.265 7.403 1.00 0.12 H new ATOM 0 HA ASN A 60 69.346 -8.537 8.867 1.00 0.13 H new ATOM 0 HB2 ASN A 60 70.729 -10.303 10.098 1.00 0.13 H new ATOM 0 HB3 ASN A 60 72.175 -9.457 9.583 1.00 0.13 H new ATOM 0 HD21 ASN A 60 71.548 -7.906 12.869 1.00 1.14 H new ATOM 0 HD22 ASN A 60 72.268 -9.353 12.157 1.00 1.14 H new ATOM 891 N THR A 61 70.636 -6.991 6.968 1.00 0.12 N ATOM 892 CA THR A 61 71.254 -5.721 6.491 1.00 0.12 C ATOM 893 C THR A 61 70.672 -4.574 7.322 1.00 0.11 C ATOM 894 O THR A 61 69.473 -4.486 7.505 1.00 0.11 O ATOM 895 CB THR A 61 70.915 -5.478 5.019 1.00 0.14 C ATOM 896 OG1 THR A 61 69.504 -5.487 4.856 1.00 0.22 O ATOM 897 CG2 THR A 61 71.536 -6.558 4.133 1.00 0.24 C ATOM 0 H THR A 61 69.905 -7.378 6.372 1.00 0.12 H new ATOM 0 HA THR A 61 72.337 -5.781 6.597 1.00 0.12 H new ATOM 0 HB THR A 61 71.321 -4.511 4.722 1.00 0.14 H new ATOM 0 HG1 THR A 61 69.262 -4.948 4.074 1.00 0.22 H new ATOM 0 HG21 THR A 61 71.282 -6.364 3.091 1.00 0.24 H new ATOM 0 HG22 THR A 61 72.620 -6.546 4.250 1.00 0.24 H new ATOM 0 HG23 THR A 61 71.150 -7.535 4.425 1.00 0.24 H new ATOM 905 N GLN A 62 71.495 -3.701 7.843 1.00 9.83 N ATOM 906 CA GLN A 62 70.955 -2.581 8.678 1.00 11.89 C ATOM 907 C GLN A 62 71.835 -1.339 8.541 1.00 11.16 C ATOM 908 O GLN A 62 72.951 -1.403 8.066 1.00 9.58 O ATOM 909 CB GLN A 62 70.930 -3.030 10.141 1.00 13.81 C ATOM 910 CG GLN A 62 72.351 -3.380 10.590 1.00 19.41 C ATOM 911 CD GLN A 62 72.314 -3.967 12.002 1.00 22.33 C ATOM 912 OE1 GLN A 62 71.263 -4.317 12.501 1.00 28.20 O ATOM 913 NE2 GLN A 62 73.427 -4.091 12.672 1.00 24.17 N ATOM 0 H GLN A 62 72.509 -3.712 7.729 1.00 9.83 H new ATOM 0 HA GLN A 62 69.949 -2.331 8.340 1.00 11.89 H new ATOM 0 HB2 GLN A 62 70.523 -2.238 10.769 1.00 13.81 H new ATOM 0 HB3 GLN A 62 70.277 -3.895 10.256 1.00 13.81 H new ATOM 0 HG2 GLN A 62 72.795 -4.097 9.899 1.00 19.41 H new ATOM 0 HG3 GLN A 62 72.979 -2.489 10.572 1.00 19.41 H new ATOM 0 HE21 GLN A 62 74.310 -3.797 12.254 1.00 24.17 H new ATOM 0 HE22 GLN A 62 73.414 -4.482 13.614 1.00 24.17 H new ATOM 922 N LEU A 63 71.335 -0.204 8.957 1.00 0.12 N ATOM 923 CA LEU A 63 72.132 1.053 8.856 1.00 0.13 C ATOM 924 C LEU A 63 73.046 1.168 10.075 1.00 0.13 C ATOM 925 O LEU A 63 72.603 1.131 11.206 1.00 0.14 O ATOM 926 CB LEU A 63 71.171 2.252 8.786 1.00 0.15 C ATOM 927 CG LEU A 63 71.944 3.580 8.710 1.00 0.18 C ATOM 928 CD1 LEU A 63 72.701 3.679 7.378 1.00 0.18 C ATOM 929 CD2 LEU A 63 70.948 4.741 8.819 1.00 0.21 C ATOM 0 H LEU A 63 70.406 -0.094 9.363 1.00 0.12 H new ATOM 0 HA LEU A 63 72.747 1.040 7.956 1.00 0.13 H new ATOM 0 HB2 LEU A 63 70.525 2.154 7.913 1.00 0.15 H new ATOM 0 HB3 LEU A 63 70.524 2.254 9.663 1.00 0.15 H new ATOM 0 HG LEU A 63 72.664 3.626 9.527 1.00 0.18 H new ATOM 0 HD11 LEU A 63 73.244 4.623 7.337 1.00 0.18 H new ATOM 0 HD12 LEU A 63 73.406 2.852 7.298 1.00 0.18 H new ATOM 0 HD13 LEU A 63 71.991 3.632 6.552 1.00 0.18 H new ATOM 0 HD21 LEU A 63 71.486 5.688 8.766 1.00 0.21 H new ATOM 0 HD22 LEU A 63 70.232 4.684 7.999 1.00 0.21 H new ATOM 0 HD23 LEU A 63 70.418 4.677 9.769 1.00 0.21 H new ATOM 941 N ALA A 64 74.325 1.308 9.838 1.00 0.12 N ATOM 942 CA ALA A 64 75.311 1.429 10.955 1.00 0.14 C ATOM 943 C ALA A 64 76.024 2.776 10.846 1.00 0.14 C ATOM 944 O ALA A 64 76.525 3.139 9.801 1.00 0.15 O ATOM 945 CB ALA A 64 76.346 0.308 10.828 1.00 0.14 C ATOM 0 H ALA A 64 74.734 1.344 8.904 1.00 0.12 H new ATOM 0 HA ALA A 64 74.797 1.356 11.914 1.00 0.14 H new ATOM 0 HB1 ALA A 64 77.070 0.388 11.639 1.00 0.14 H new ATOM 0 HB2 ALA A 64 75.844 -0.658 10.883 1.00 0.14 H new ATOM 0 HB3 ALA A 64 76.861 0.395 9.871 1.00 0.14 H new ATOM 951 N GLY A 65 76.085 3.517 11.915 1.00 0.16 N ATOM 952 CA GLY A 65 76.785 4.833 11.873 1.00 0.17 C ATOM 953 C GLY A 65 76.051 5.803 10.943 1.00 0.17 C ATOM 954 O GLY A 65 74.857 5.710 10.739 1.00 0.17 O ATOM 0 H GLY A 65 75.680 3.270 12.818 1.00 0.16 H new ATOM 0 HA2 GLY A 65 76.840 5.254 12.877 1.00 0.17 H new ATOM 0 HA3 GLY A 65 77.810 4.695 11.528 1.00 0.17 H new ATOM 958 N SER A 66 76.770 6.741 10.389 1.00 0.18 N ATOM 959 CA SER A 66 76.148 7.746 9.480 1.00 0.18 C ATOM 960 C SER A 66 76.144 7.252 8.029 1.00 0.17 C ATOM 961 O SER A 66 75.203 7.492 7.297 1.00 0.16 O ATOM 962 CB SER A 66 76.956 9.042 9.551 1.00 0.21 C ATOM 963 OG SER A 66 78.297 8.783 9.156 1.00 1.19 O ATOM 0 H SER A 66 77.774 6.855 10.529 1.00 0.18 H new ATOM 0 HA SER A 66 75.118 7.908 9.797 1.00 0.18 H new ATOM 0 HB2 SER A 66 76.513 9.796 8.901 1.00 0.21 H new ATOM 0 HB3 SER A 66 76.934 9.442 10.565 1.00 0.21 H new ATOM 0 HG SER A 66 78.817 9.613 9.199 1.00 1.19 H new ATOM 969 N SER A 67 77.198 6.602 7.593 1.00 0.17 N ATOM 970 CA SER A 67 77.259 6.144 6.163 1.00 0.17 C ATOM 971 C SER A 67 77.705 4.685 6.045 1.00 0.16 C ATOM 972 O SER A 67 78.001 4.226 4.959 1.00 0.17 O ATOM 973 CB SER A 67 78.283 7.008 5.431 1.00 0.19 C ATOM 974 OG SER A 67 79.590 6.641 5.852 1.00 0.20 O ATOM 0 H SER A 67 78.014 6.369 8.159 1.00 0.17 H new ATOM 0 HA SER A 67 76.261 6.234 5.735 1.00 0.17 H new ATOM 0 HB2 SER A 67 78.184 6.876 4.354 1.00 0.19 H new ATOM 0 HB3 SER A 67 78.103 8.062 5.640 1.00 0.19 H new ATOM 0 HG SER A 67 80.214 7.370 5.654 1.00 0.20 H new ATOM 980 N GLU A 68 77.793 3.950 7.125 1.00 0.15 N ATOM 981 CA GLU A 68 78.267 2.532 7.023 1.00 0.15 C ATOM 982 C GLU A 68 77.091 1.550 7.034 1.00 0.13 C ATOM 983 O GLU A 68 76.149 1.689 7.789 1.00 0.13 O ATOM 984 CB GLU A 68 79.180 2.236 8.211 1.00 0.16 C ATOM 985 CG GLU A 68 80.420 3.127 8.127 1.00 0.22 C ATOM 986 CD GLU A 68 81.301 2.894 9.357 1.00 1.15 C ATOM 987 OE1 GLU A 68 80.943 2.056 10.168 1.00 1.77 O ATOM 988 OE2 GLU A 68 82.316 3.560 9.468 1.00 1.37 O ATOM 0 H GLU A 68 77.560 4.265 8.067 1.00 0.15 H new ATOM 0 HA GLU A 68 78.803 2.409 6.082 1.00 0.15 H new ATOM 0 HB2 GLU A 68 78.650 2.417 9.146 1.00 0.16 H new ATOM 0 HB3 GLU A 68 79.471 1.186 8.208 1.00 0.16 H new ATOM 0 HG2 GLU A 68 80.980 2.905 7.218 1.00 0.22 H new ATOM 0 HG3 GLU A 68 80.125 4.175 8.071 1.00 0.22 H new ATOM 995 N LEU A 69 77.173 0.535 6.212 1.00 0.13 N ATOM 996 CA LEU A 69 76.106 -0.513 6.153 1.00 0.12 C ATOM 997 C LEU A 69 76.684 -1.795 6.764 1.00 0.13 C ATOM 998 O LEU A 69 77.680 -2.320 6.308 1.00 0.14 O ATOM 999 CB LEU A 69 75.702 -0.722 4.677 1.00 0.14 C ATOM 1000 CG LEU A 69 75.019 -2.085 4.454 1.00 0.14 C ATOM 1001 CD1 LEU A 69 73.910 -2.332 5.495 1.00 0.15 C ATOM 1002 CD2 LEU A 69 74.410 -2.096 3.045 1.00 0.18 C ATOM 0 H LEU A 69 77.949 0.385 5.567 1.00 0.13 H new ATOM 0 HA LEU A 69 75.215 -0.221 6.710 1.00 0.12 H new ATOM 0 HB2 LEU A 69 75.027 0.077 4.369 1.00 0.14 H new ATOM 0 HB3 LEU A 69 76.587 -0.652 4.045 1.00 0.14 H new ATOM 0 HG LEU A 69 75.761 -2.876 4.562 1.00 0.14 H new ATOM 0 HD11 LEU A 69 73.447 -3.302 5.311 1.00 0.15 H new ATOM 0 HD12 LEU A 69 74.341 -2.320 6.496 1.00 0.15 H new ATOM 0 HD13 LEU A 69 73.156 -1.549 5.416 1.00 0.15 H new ATOM 0 HD21 LEU A 69 73.921 -3.054 2.867 1.00 0.18 H new ATOM 0 HD22 LEU A 69 73.678 -1.293 2.959 1.00 0.18 H new ATOM 0 HD23 LEU A 69 75.198 -1.949 2.307 1.00 0.18 H new ATOM 1014 N ALA A 70 76.074 -2.283 7.819 1.00 0.12 N ATOM 1015 CA ALA A 70 76.582 -3.516 8.498 1.00 0.12 C ATOM 1016 C ALA A 70 75.692 -4.700 8.124 1.00 0.12 C ATOM 1017 O ALA A 70 74.485 -4.580 8.028 1.00 0.13 O ATOM 1018 CB ALA A 70 76.536 -3.287 10.012 1.00 0.15 C ATOM 0 H ALA A 70 75.239 -1.876 8.241 1.00 0.12 H new ATOM 0 HA ALA A 70 77.605 -3.729 8.187 1.00 0.12 H new ATOM 0 HB1 ALA A 70 76.903 -4.176 10.526 1.00 0.15 H new ATOM 0 HB2 ALA A 70 77.163 -2.434 10.270 1.00 0.15 H new ATOM 0 HB3 ALA A 70 75.509 -3.088 10.319 1.00 0.15 H new ATOM 1024 N ALA A 71 76.280 -5.841 7.911 1.00 0.12 N ATOM 1025 CA ALA A 71 75.480 -7.042 7.538 1.00 0.13 C ATOM 1026 C ALA A 71 76.261 -8.307 7.894 1.00 0.13 C ATOM 1027 O ALA A 71 77.427 -8.257 8.233 1.00 0.14 O ATOM 1028 CB ALA A 71 75.245 -7.072 6.028 1.00 0.15 C ATOM 0 H ALA A 71 77.286 -5.996 7.979 1.00 0.12 H new ATOM 0 HA ALA A 71 74.532 -6.998 8.074 1.00 0.13 H new ATOM 0 HB1 ALA A 71 74.660 -7.954 5.768 1.00 0.15 H new ATOM 0 HB2 ALA A 71 74.704 -6.175 5.726 1.00 0.15 H new ATOM 0 HB3 ALA A 71 76.204 -7.108 5.511 1.00 0.15 H new ATOM 1034 N GLU A 72 75.624 -9.450 7.770 1.00 0.13 N ATOM 1035 CA GLU A 72 76.306 -10.752 8.043 1.00 0.12 C ATOM 1036 C GLU A 72 76.366 -11.498 6.709 1.00 0.12 C ATOM 1037 O GLU A 72 75.392 -11.526 5.982 1.00 0.11 O ATOM 1038 CB GLU A 72 75.486 -11.560 9.055 1.00 0.14 C ATOM 1039 CG GLU A 72 75.447 -10.819 10.394 1.00 0.18 C ATOM 1040 CD GLU A 72 74.493 -11.539 11.349 1.00 0.20 C ATOM 1041 OE1 GLU A 72 73.979 -12.578 10.969 1.00 0.29 O ATOM 1042 OE2 GLU A 72 74.282 -11.032 12.438 1.00 0.36 O ATOM 0 H GLU A 72 74.648 -9.533 7.487 1.00 0.13 H new ATOM 0 HA GLU A 72 77.303 -10.601 8.456 1.00 0.12 H new ATOM 0 HB2 GLU A 72 74.473 -11.709 8.681 1.00 0.14 H new ATOM 0 HB3 GLU A 72 75.926 -12.549 9.188 1.00 0.14 H new ATOM 0 HG2 GLU A 72 76.447 -10.775 10.826 1.00 0.18 H new ATOM 0 HG3 GLU A 72 75.119 -9.790 10.243 1.00 0.18 H new ATOM 1049 N CYS A 73 77.492 -12.073 6.351 1.00 0.12 N ATOM 1050 CA CYS A 73 77.583 -12.773 5.022 1.00 0.12 C ATOM 1051 C CYS A 73 78.260 -14.139 5.138 1.00 0.12 C ATOM 1052 O CYS A 73 79.115 -14.368 5.971 1.00 0.13 O ATOM 1053 CB CYS A 73 78.382 -11.897 4.056 1.00 0.13 C ATOM 1054 SG CYS A 73 77.381 -10.460 3.588 1.00 0.14 S ATOM 0 H CYS A 73 78.344 -12.090 6.912 1.00 0.12 H new ATOM 0 HA CYS A 73 76.569 -12.935 4.655 1.00 0.12 H new ATOM 0 HB2 CYS A 73 79.311 -11.571 4.525 1.00 0.13 H new ATOM 0 HB3 CYS A 73 78.656 -12.469 3.169 1.00 0.13 H new ATOM 1059 N LYS A 74 77.850 -15.050 4.299 1.00 0.13 N ATOM 1060 CA LYS A 74 78.432 -16.421 4.327 1.00 0.13 C ATOM 1061 C LYS A 74 79.835 -16.446 3.731 1.00 0.13 C ATOM 1062 O LYS A 74 80.089 -15.941 2.656 1.00 0.13 O ATOM 1063 CB LYS A 74 77.553 -17.387 3.525 1.00 0.16 C ATOM 1064 CG LYS A 74 76.235 -17.587 4.262 1.00 0.20 C ATOM 1065 CD LYS A 74 75.363 -18.629 3.545 1.00 0.22 C ATOM 1066 CE LYS A 74 75.814 -20.049 3.919 1.00 0.30 C ATOM 1067 NZ LYS A 74 74.792 -21.028 3.450 1.00 0.38 N ATOM 0 H LYS A 74 77.132 -14.902 3.590 1.00 0.13 H new ATOM 0 HA LYS A 74 78.481 -16.727 5.372 1.00 0.13 H new ATOM 0 HB2 LYS A 74 77.370 -16.989 2.527 1.00 0.16 H new ATOM 0 HB3 LYS A 74 78.062 -18.342 3.398 1.00 0.16 H new ATOM 0 HG2 LYS A 74 76.430 -17.911 5.284 1.00 0.20 H new ATOM 0 HG3 LYS A 74 75.700 -16.639 4.324 1.00 0.20 H new ATOM 0 HD2 LYS A 74 74.317 -18.488 3.818 1.00 0.22 H new ATOM 0 HD3 LYS A 74 75.432 -18.490 2.466 1.00 0.22 H new ATOM 0 HE2 LYS A 74 76.780 -20.268 3.464 1.00 0.30 H new ATOM 0 HE3 LYS A 74 75.944 -20.130 4.998 1.00 0.30 H new ATOM 0 HZ1 LYS A 74 75.266 -21.831 2.989 1.00 0.38 H new ATOM 0 HZ2 LYS A 74 74.242 -21.371 4.263 1.00 0.38 H new ATOM 0 HZ3 LYS A 74 74.154 -20.566 2.771 1.00 0.38 H new ATOM 1081 N THR A 75 80.728 -17.088 4.421 1.00 0.13 N ATOM 1082 CA THR A 75 82.122 -17.231 3.925 1.00 0.14 C ATOM 1083 C THR A 75 82.191 -18.511 3.107 1.00 0.15 C ATOM 1084 O THR A 75 81.247 -19.271 3.046 1.00 0.15 O ATOM 1085 CB THR A 75 83.100 -17.346 5.099 1.00 0.15 C ATOM 1086 OG1 THR A 75 82.915 -18.601 5.739 1.00 0.25 O ATOM 1087 CG2 THR A 75 82.867 -16.224 6.112 1.00 0.23 C ATOM 0 H THR A 75 80.549 -17.528 5.324 1.00 0.13 H new ATOM 0 HA THR A 75 82.392 -16.360 3.328 1.00 0.14 H new ATOM 0 HB THR A 75 84.117 -17.264 4.716 1.00 0.15 H new ATOM 0 HG1 THR A 75 83.540 -18.680 6.490 1.00 0.25 H new ATOM 0 HG21 THR A 75 83.573 -16.326 6.937 1.00 0.23 H new ATOM 0 HG22 THR A 75 83.013 -15.259 5.626 1.00 0.23 H new ATOM 0 HG23 THR A 75 81.849 -16.286 6.496 1.00 0.23 H new ATOM 1095 N ARG A 76 83.294 -18.764 2.477 1.00 0.17 N ATOM 1096 CA ARG A 76 83.396 -20.005 1.673 1.00 0.19 C ATOM 1097 C ARG A 76 83.133 -21.197 2.591 1.00 0.18 C ATOM 1098 O ARG A 76 82.776 -22.265 2.132 1.00 0.19 O ATOM 1099 CB ARG A 76 84.795 -20.131 1.065 1.00 0.22 C ATOM 1100 CG ARG A 76 84.985 -19.075 -0.025 1.00 0.25 C ATOM 1101 CD ARG A 76 86.375 -19.235 -0.646 1.00 0.35 C ATOM 1102 NE ARG A 76 86.599 -18.160 -1.653 1.00 1.36 N ATOM 1103 CZ ARG A 76 87.800 -17.941 -2.108 1.00 1.94 C ATOM 1104 NH1 ARG A 76 88.793 -18.684 -1.702 1.00 2.11 N ATOM 1105 NH2 ARG A 76 88.009 -16.986 -2.971 1.00 2.94 N ATOM 0 H ARG A 76 84.124 -18.172 2.482 1.00 0.17 H new ATOM 0 HA ARG A 76 82.666 -19.977 0.864 1.00 0.19 H new ATOM 0 HB2 ARG A 76 85.551 -20.006 1.840 1.00 0.22 H new ATOM 0 HB3 ARG A 76 84.930 -21.128 0.646 1.00 0.22 H new ATOM 0 HG2 ARG A 76 84.217 -19.184 -0.791 1.00 0.25 H new ATOM 0 HG3 ARG A 76 84.875 -18.076 0.397 1.00 0.25 H new ATOM 0 HD2 ARG A 76 87.139 -19.185 0.130 1.00 0.35 H new ATOM 0 HD3 ARG A 76 86.463 -20.214 -1.118 1.00 0.35 H new ATOM 0 HE ARG A 76 85.815 -17.598 -1.985 1.00 1.36 H new ATOM 0 HH11 ARG A 76 88.628 -19.434 -1.030 1.00 2.11 H new ATOM 0 HH12 ARG A 76 89.734 -18.515 -2.056 1.00 2.11 H new ATOM 0 HH21 ARG A 76 87.231 -16.409 -3.291 1.00 2.94 H new ATOM 0 HH22 ARG A 76 88.950 -16.816 -3.326 1.00 2.94 H new ATOM 1119 N ALA A 77 83.340 -21.050 3.881 1.00 0.17 N ATOM 1120 CA ALA A 77 83.131 -22.217 4.795 1.00 0.17 C ATOM 1121 C ALA A 77 81.666 -22.310 5.251 1.00 0.17 C ATOM 1122 O ALA A 77 81.351 -23.079 6.135 1.00 0.17 O ATOM 1123 CB ALA A 77 84.054 -22.099 6.008 1.00 0.17 C ATOM 0 H ALA A 77 83.640 -20.186 4.333 1.00 0.17 H new ATOM 0 HA ALA A 77 83.371 -23.128 4.246 1.00 0.17 H new ATOM 0 HB1 ALA A 77 83.897 -22.951 6.669 1.00 0.17 H new ATOM 0 HB2 ALA A 77 85.092 -22.084 5.675 1.00 0.17 H new ATOM 0 HB3 ALA A 77 83.832 -21.177 6.546 1.00 0.17 H new ATOM 1129 N GLN A 78 80.770 -21.543 4.665 1.00 0.17 N ATOM 1130 CA GLN A 78 79.314 -21.580 5.046 1.00 0.18 C ATOM 1131 C GLN A 78 79.066 -21.092 6.482 1.00 0.18 C ATOM 1132 O GLN A 78 78.170 -21.570 7.150 1.00 0.20 O ATOM 1133 CB GLN A 78 78.748 -22.997 4.882 1.00 0.20 C ATOM 1134 CG GLN A 78 78.902 -23.450 3.426 1.00 0.31 C ATOM 1135 CD GLN A 78 78.084 -22.543 2.496 1.00 0.59 C ATOM 1136 OE1 GLN A 78 76.878 -22.438 2.629 1.00 1.56 O ATOM 1137 NE2 GLN A 78 78.696 -21.876 1.556 1.00 0.41 N ATOM 0 H GLN A 78 80.991 -20.879 3.923 1.00 0.17 H new ATOM 0 HA GLN A 78 78.800 -20.896 4.370 1.00 0.18 H new ATOM 0 HB2 GLN A 78 79.271 -23.687 5.545 1.00 0.20 H new ATOM 0 HB3 GLN A 78 77.697 -23.014 5.169 1.00 0.20 H new ATOM 0 HG2 GLN A 78 79.953 -23.423 3.139 1.00 0.31 H new ATOM 0 HG3 GLN A 78 78.570 -24.483 3.322 1.00 0.31 H new ATOM 0 HE21 GLN A 78 79.706 -21.963 1.444 1.00 0.41 H new ATOM 0 HE22 GLN A 78 78.164 -21.267 0.934 1.00 0.41 H new ATOM 1146 N GLN A 79 79.825 -20.129 6.952 1.00 0.17 N ATOM 1147 CA GLN A 79 79.617 -19.581 8.339 1.00 0.19 C ATOM 1148 C GLN A 79 79.310 -18.079 8.242 1.00 0.17 C ATOM 1149 O GLN A 79 79.984 -17.352 7.543 1.00 0.21 O ATOM 1150 CB GLN A 79 80.890 -19.793 9.165 1.00 0.22 C ATOM 1151 CG GLN A 79 80.692 -19.240 10.581 1.00 1.18 C ATOM 1152 CD GLN A 79 81.964 -19.464 11.401 1.00 1.51 C ATOM 1153 OE1 GLN A 79 82.857 -20.172 10.979 1.00 1.87 O ATOM 1154 NE2 GLN A 79 82.089 -18.873 12.557 1.00 2.23 N ATOM 0 H GLN A 79 80.587 -19.694 6.432 1.00 0.17 H new ATOM 0 HA GLN A 79 78.785 -20.095 8.820 1.00 0.19 H new ATOM 0 HB2 GLN A 79 81.132 -20.855 9.211 1.00 0.22 H new ATOM 0 HB3 GLN A 79 81.732 -19.295 8.685 1.00 0.22 H new ATOM 0 HG2 GLN A 79 80.458 -18.176 10.538 1.00 1.18 H new ATOM 0 HG3 GLN A 79 79.846 -19.733 11.060 1.00 1.18 H new ATOM 0 HE21 GLN A 79 81.339 -18.279 12.910 1.00 2.23 H new ATOM 0 HE22 GLN A 79 82.937 -19.005 13.108 1.00 2.23 H new ATOM 1163 N PHE A 80 78.299 -17.598 8.935 1.00 0.15 N ATOM 1164 CA PHE A 80 77.973 -16.133 8.850 1.00 0.14 C ATOM 1165 C PHE A 80 78.937 -15.315 9.728 1.00 0.13 C ATOM 1166 O PHE A 80 79.079 -15.582 10.906 1.00 0.14 O ATOM 1167 CB PHE A 80 76.539 -15.872 9.361 1.00 0.16 C ATOM 1168 CG PHE A 80 75.503 -16.192 8.308 1.00 0.19 C ATOM 1169 CD1 PHE A 80 75.327 -15.324 7.224 1.00 0.22 C ATOM 1170 CD2 PHE A 80 74.697 -17.331 8.430 1.00 0.24 C ATOM 1171 CE1 PHE A 80 74.350 -15.595 6.260 1.00 0.28 C ATOM 1172 CE2 PHE A 80 73.716 -17.601 7.467 1.00 0.30 C ATOM 1173 CZ PHE A 80 73.543 -16.733 6.383 1.00 0.31 C ATOM 0 H PHE A 80 77.694 -18.146 9.546 1.00 0.15 H new ATOM 0 HA PHE A 80 78.066 -15.834 7.806 1.00 0.14 H new ATOM 0 HB2 PHE A 80 76.354 -16.476 10.249 1.00 0.16 H new ATOM 0 HB3 PHE A 80 76.444 -14.828 9.660 1.00 0.16 H new ATOM 0 HD1 PHE A 80 75.946 -14.444 7.132 1.00 0.22 H new ATOM 0 HD2 PHE A 80 74.832 -18.001 9.266 1.00 0.24 H new ATOM 0 HE1 PHE A 80 74.218 -14.927 5.422 1.00 0.28 H new ATOM 0 HE2 PHE A 80 73.094 -18.479 7.561 1.00 0.30 H new ATOM 0 HZ PHE A 80 72.787 -16.941 5.641 1.00 0.31 H new ATOM 1183 N VAL A 81 79.576 -14.307 9.171 1.00 0.12 N ATOM 1184 CA VAL A 81 80.510 -13.449 9.983 1.00 0.12 C ATOM 1185 C VAL A 81 80.110 -11.980 9.815 1.00 0.12 C ATOM 1186 O VAL A 81 79.412 -11.620 8.887 1.00 0.12 O ATOM 1187 CB VAL A 81 81.964 -13.683 9.540 1.00 0.14 C ATOM 1188 CG1 VAL A 81 82.172 -15.180 9.316 1.00 0.18 C ATOM 1189 CG2 VAL A 81 82.287 -13.020 8.197 1.00 0.16 C ATOM 0 H VAL A 81 79.492 -14.041 8.190 1.00 0.12 H new ATOM 0 HA VAL A 81 80.438 -13.716 11.037 1.00 0.12 H new ATOM 0 HB VAL A 81 82.599 -13.264 10.320 1.00 0.14 H new ATOM 0 HG11 VAL A 81 83.200 -15.361 9.001 1.00 0.18 H new ATOM 0 HG12 VAL A 81 81.977 -15.717 10.244 1.00 0.18 H new ATOM 0 HG13 VAL A 81 81.488 -15.531 8.543 1.00 0.18 H new ATOM 0 HG21 VAL A 81 83.326 -13.218 7.934 1.00 0.16 H new ATOM 0 HG22 VAL A 81 81.634 -13.426 7.425 1.00 0.16 H new ATOM 0 HG23 VAL A 81 82.131 -11.944 8.276 1.00 0.16 H new ATOM 1199 N SER A 82 80.519 -11.133 10.720 1.00 0.15 N ATOM 1200 CA SER A 82 80.135 -9.692 10.628 1.00 0.15 C ATOM 1201 C SER A 82 80.916 -8.986 9.514 1.00 0.16 C ATOM 1202 O SER A 82 82.118 -9.121 9.405 1.00 0.25 O ATOM 1203 CB SER A 82 80.417 -9.003 11.964 1.00 0.23 C ATOM 1204 OG SER A 82 80.050 -7.633 11.870 1.00 0.26 O ATOM 0 H SER A 82 81.103 -11.375 11.520 1.00 0.15 H new ATOM 0 HA SER A 82 79.072 -9.632 10.395 1.00 0.15 H new ATOM 0 HB2 SER A 82 79.856 -9.488 12.763 1.00 0.23 H new ATOM 0 HB3 SER A 82 81.473 -9.092 12.217 1.00 0.23 H new ATOM 0 HG SER A 82 80.227 -7.187 12.725 1.00 0.26 H new ATOM 1210 N THR A 83 80.239 -8.220 8.694 1.00 0.12 N ATOM 1211 CA THR A 83 80.927 -7.487 7.583 1.00 0.17 C ATOM 1212 C THR A 83 80.374 -6.061 7.492 1.00 0.12 C ATOM 1213 O THR A 83 79.305 -5.760 7.987 1.00 0.11 O ATOM 1214 CB THR A 83 80.697 -8.222 6.261 1.00 0.27 C ATOM 1215 OG1 THR A 83 81.157 -7.415 5.187 1.00 0.31 O ATOM 1216 CG2 THR A 83 79.207 -8.516 6.086 1.00 0.29 C ATOM 0 H THR A 83 79.232 -8.069 8.746 1.00 0.12 H new ATOM 0 HA THR A 83 81.997 -7.444 7.784 1.00 0.17 H new ATOM 0 HB THR A 83 81.247 -9.163 6.268 1.00 0.27 H new ATOM 0 HG1 THR A 83 80.395 -6.965 4.767 1.00 0.31 H new ATOM 0 HG21 THR A 83 79.048 -9.039 5.143 1.00 0.29 H new ATOM 0 HG22 THR A 83 78.860 -9.139 6.910 1.00 0.29 H new ATOM 0 HG23 THR A 83 78.650 -7.579 6.080 1.00 0.29 H new ATOM 1224 N LYS A 84 81.104 -5.179 6.856 1.00 0.12 N ATOM 1225 CA LYS A 84 80.638 -3.768 6.727 1.00 0.14 C ATOM 1226 C LYS A 84 81.256 -3.129 5.474 1.00 0.13 C ATOM 1227 O LYS A 84 82.252 -3.585 4.948 1.00 0.15 O ATOM 1228 CB LYS A 84 81.062 -2.980 7.970 1.00 0.25 C ATOM 1229 CG LYS A 84 82.589 -2.955 8.067 1.00 0.34 C ATOM 1230 CD LYS A 84 83.004 -2.344 9.407 1.00 0.48 C ATOM 1231 CE LYS A 84 84.529 -2.282 9.491 1.00 1.17 C ATOM 1232 NZ LYS A 84 85.040 -1.272 8.521 1.00 1.98 N ATOM 0 H LYS A 84 82.005 -5.378 6.420 1.00 0.12 H new ATOM 0 HA LYS A 84 79.552 -3.751 6.637 1.00 0.14 H new ATOM 0 HB2 LYS A 84 80.674 -1.963 7.918 1.00 0.25 H new ATOM 0 HB3 LYS A 84 80.638 -3.437 8.864 1.00 0.25 H new ATOM 0 HG2 LYS A 84 82.987 -3.966 7.977 1.00 0.34 H new ATOM 0 HG3 LYS A 84 83.007 -2.374 7.245 1.00 0.34 H new ATOM 0 HD2 LYS A 84 82.583 -1.344 9.508 1.00 0.48 H new ATOM 0 HD3 LYS A 84 82.608 -2.941 10.229 1.00 0.48 H new ATOM 0 HE2 LYS A 84 84.838 -2.019 10.503 1.00 1.17 H new ATOM 0 HE3 LYS A 84 84.956 -3.261 9.272 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 86.018 -1.018 8.767 1.00 1.98 H new ATOM 0 HZ2 LYS A 84 85.017 -1.670 7.561 1.00 1.98 H new ATOM 0 HZ3 LYS A 84 84.442 -0.422 8.558 1.00 1.98 H new ATOM 1246 N ILE A 85 80.650 -2.072 5.004 1.00 0.13 N ATOM 1247 CA ILE A 85 81.144 -1.361 3.787 1.00 0.13 C ATOM 1248 C ILE A 85 80.811 0.132 3.917 1.00 0.13 C ATOM 1249 O ILE A 85 79.815 0.508 4.501 1.00 0.13 O ATOM 1250 CB ILE A 85 80.459 -1.950 2.546 1.00 0.14 C ATOM 1251 CG1 ILE A 85 81.042 -1.312 1.276 1.00 0.17 C ATOM 1252 CG2 ILE A 85 78.958 -1.670 2.608 1.00 0.16 C ATOM 1253 CD1 ILE A 85 80.677 -2.170 0.059 1.00 0.20 C ATOM 0 H ILE A 85 79.815 -1.662 5.421 1.00 0.13 H new ATOM 0 HA ILE A 85 82.223 -1.483 3.688 1.00 0.13 H new ATOM 0 HB ILE A 85 80.630 -3.026 2.522 1.00 0.14 H new ATOM 0 HG12 ILE A 85 80.652 -0.302 1.152 1.00 0.17 H new ATOM 0 HG13 ILE A 85 82.125 -1.227 1.363 1.00 0.17 H new ATOM 0 HG21 ILE A 85 78.473 -2.089 1.726 1.00 0.16 H new ATOM 0 HG22 ILE A 85 78.539 -2.128 3.504 1.00 0.16 H new ATOM 0 HG23 ILE A 85 78.790 -0.593 2.638 1.00 0.16 H new ATOM 0 HD11 ILE A 85 81.091 -1.718 -0.842 1.00 0.20 H new ATOM 0 HD12 ILE A 85 81.088 -3.172 0.184 1.00 0.20 H new ATOM 0 HD13 ILE A 85 79.592 -2.232 -0.031 1.00 0.20 H new ATOM 1265 N ASN A 86 81.646 0.981 3.379 1.00 0.13 N ATOM 1266 CA ASN A 86 81.396 2.456 3.473 1.00 0.14 C ATOM 1267 C ASN A 86 80.550 2.919 2.280 1.00 0.13 C ATOM 1268 O ASN A 86 81.016 2.941 1.165 1.00 0.13 O ATOM 1269 CB ASN A 86 82.740 3.189 3.455 1.00 0.15 C ATOM 1270 CG ASN A 86 82.539 4.650 3.863 1.00 0.17 C ATOM 1271 OD1 ASN A 86 81.432 5.150 3.858 1.00 0.17 O ATOM 1272 ND2 ASN A 86 83.577 5.361 4.219 1.00 0.23 N ATOM 0 H ASN A 86 82.494 0.719 2.876 1.00 0.13 H new ATOM 0 HA ASN A 86 80.861 2.677 4.397 1.00 0.14 H new ATOM 0 HB2 ASN A 86 83.438 2.704 4.137 1.00 0.15 H new ATOM 0 HB3 ASN A 86 83.180 3.137 2.459 1.00 0.15 H new ATOM 0 HD21 ASN A 86 83.457 6.336 4.493 1.00 0.23 H new ATOM 0 HD22 ASN A 86 84.506 4.940 4.223 1.00 0.23 H new ATOM 1279 N LEU A 87 79.325 3.314 2.509 1.00 0.13 N ATOM 1280 CA LEU A 87 78.460 3.801 1.383 1.00 0.13 C ATOM 1281 C LEU A 87 79.016 5.118 0.830 1.00 0.13 C ATOM 1282 O LEU A 87 78.690 5.517 -0.269 1.00 0.13 O ATOM 1283 CB LEU A 87 77.034 4.048 1.890 1.00 0.14 C ATOM 1284 CG LEU A 87 76.493 2.802 2.594 1.00 0.15 C ATOM 1285 CD1 LEU A 87 75.019 3.025 2.945 1.00 0.18 C ATOM 1286 CD2 LEU A 87 76.624 1.582 1.677 1.00 0.21 C ATOM 0 H LEU A 87 78.882 3.322 3.428 1.00 0.13 H new ATOM 0 HA LEU A 87 78.450 3.044 0.599 1.00 0.13 H new ATOM 0 HB2 LEU A 87 77.028 4.893 2.578 1.00 0.14 H new ATOM 0 HB3 LEU A 87 76.385 4.312 1.055 1.00 0.14 H new ATOM 0 HG LEU A 87 77.067 2.623 3.503 1.00 0.15 H new ATOM 0 HD11 LEU A 87 74.627 2.141 3.447 1.00 0.18 H new ATOM 0 HD12 LEU A 87 74.929 3.887 3.606 1.00 0.18 H new ATOM 0 HD13 LEU A 87 74.451 3.206 2.032 1.00 0.18 H new ATOM 0 HD21 LEU A 87 76.236 0.700 2.187 1.00 0.21 H new ATOM 0 HD22 LEU A 87 76.056 1.752 0.763 1.00 0.21 H new ATOM 0 HD23 LEU A 87 77.674 1.425 1.428 1.00 0.21 H new ATOM 1298 N ASP A 88 79.816 5.815 1.582 1.00 0.14 N ATOM 1299 CA ASP A 88 80.341 7.124 1.088 1.00 0.15 C ATOM 1300 C ASP A 88 81.333 6.943 -0.072 1.00 0.15 C ATOM 1301 O ASP A 88 81.713 7.903 -0.707 1.00 0.15 O ATOM 1302 CB ASP A 88 81.056 7.851 2.231 1.00 0.17 C ATOM 1303 CG ASP A 88 80.034 8.320 3.268 1.00 0.18 C ATOM 1304 OD1 ASP A 88 78.893 8.535 2.892 1.00 0.19 O ATOM 1305 OD2 ASP A 88 80.410 8.457 4.421 1.00 0.22 O ATOM 0 H ASP A 88 80.130 5.541 2.513 1.00 0.14 H new ATOM 0 HA ASP A 88 79.491 7.704 0.728 1.00 0.15 H new ATOM 0 HB2 ASP A 88 81.783 7.187 2.698 1.00 0.17 H new ATOM 0 HB3 ASP A 88 81.610 8.705 1.841 1.00 0.17 H new ATOM 1310 N ASP A 89 81.816 5.756 -0.330 1.00 0.16 N ATOM 1311 CA ASP A 89 82.830 5.574 -1.421 1.00 0.17 C ATOM 1312 C ASP A 89 82.285 5.924 -2.812 1.00 0.16 C ATOM 1313 O ASP A 89 83.011 6.438 -3.638 1.00 0.16 O ATOM 1314 CB ASP A 89 83.275 4.111 -1.467 1.00 0.20 C ATOM 1315 CG ASP A 89 84.105 3.782 -0.223 1.00 0.23 C ATOM 1316 OD1 ASP A 89 84.693 4.696 0.332 1.00 0.27 O ATOM 1317 OD2 ASP A 89 84.138 2.622 0.153 1.00 0.26 O ATOM 0 H ASP A 89 81.555 4.903 0.165 1.00 0.16 H new ATOM 0 HA ASP A 89 83.653 6.249 -1.188 1.00 0.17 H new ATOM 0 HB2 ASP A 89 82.404 3.458 -1.517 1.00 0.20 H new ATOM 0 HB3 ASP A 89 83.863 3.928 -2.366 1.00 0.20 H new ATOM 1322 N HIS A 90 81.057 5.569 -3.122 1.00 0.16 N ATOM 1323 CA HIS A 90 80.540 5.823 -4.512 1.00 0.17 C ATOM 1324 C HIS A 90 79.096 6.337 -4.508 1.00 0.16 C ATOM 1325 O HIS A 90 78.591 6.765 -5.528 1.00 0.17 O ATOM 1326 CB HIS A 90 80.623 4.507 -5.290 1.00 0.21 C ATOM 1327 CG HIS A 90 82.061 4.061 -5.336 1.00 0.22 C ATOM 1328 ND1 HIS A 90 82.986 4.658 -6.182 1.00 0.26 N ATOM 1329 CD2 HIS A 90 82.761 3.100 -4.635 1.00 0.25 C ATOM 1330 CE1 HIS A 90 84.175 4.064 -5.972 1.00 0.29 C ATOM 1331 NE2 HIS A 90 84.091 3.108 -5.044 1.00 0.28 N ATOM 0 H HIS A 90 80.398 5.121 -2.485 1.00 0.16 H new ATOM 0 HA HIS A 90 81.148 6.597 -4.979 1.00 0.17 H new ATOM 0 HB2 HIS A 90 80.007 3.746 -4.811 1.00 0.21 H new ATOM 0 HB3 HIS A 90 80.237 4.641 -6.300 1.00 0.21 H new ATOM 0 HD1 HIS A 90 82.798 5.411 -6.844 1.00 0.26 H new ATOM 0 HD2 HIS A 90 82.342 2.444 -3.886 1.00 0.25 H new ATOM 0 HE1 HIS A 90 85.085 4.328 -6.490 1.00 0.29 H new ATOM 1339 N ILE A 91 78.421 6.320 -3.392 1.00 0.15 N ATOM 1340 CA ILE A 91 77.016 6.831 -3.381 1.00 0.14 C ATOM 1341 C ILE A 91 77.047 8.348 -3.194 1.00 0.14 C ATOM 1342 O ILE A 91 77.394 8.844 -2.143 1.00 0.15 O ATOM 1343 CB ILE A 91 76.236 6.186 -2.227 1.00 0.15 C ATOM 1344 CG1 ILE A 91 76.087 4.661 -2.454 1.00 0.16 C ATOM 1345 CG2 ILE A 91 74.851 6.836 -2.119 1.00 0.17 C ATOM 1346 CD1 ILE A 91 74.923 4.366 -3.420 1.00 0.17 C ATOM 0 H ILE A 91 78.773 5.980 -2.497 1.00 0.15 H new ATOM 0 HA ILE A 91 76.526 6.581 -4.322 1.00 0.14 H new ATOM 0 HB ILE A 91 76.786 6.343 -1.299 1.00 0.15 H new ATOM 0 HG12 ILE A 91 77.014 4.256 -2.859 1.00 0.16 H new ATOM 0 HG13 ILE A 91 75.911 4.162 -1.501 1.00 0.16 H new ATOM 0 HG21 ILE A 91 74.297 6.378 -1.300 1.00 0.17 H new ATOM 0 HG22 ILE A 91 74.964 7.903 -1.929 1.00 0.17 H new ATOM 0 HG23 ILE A 91 74.306 6.689 -3.052 1.00 0.17 H new ATOM 0 HD11 ILE A 91 74.835 3.289 -3.566 1.00 0.17 H new ATOM 0 HD12 ILE A 91 73.994 4.752 -2.999 1.00 0.17 H new ATOM 0 HD13 ILE A 91 75.115 4.848 -4.379 1.00 0.17 H new ATOM 1358 N ALA A 92 76.692 9.083 -4.224 1.00 0.15 N ATOM 1359 CA ALA A 92 76.708 10.583 -4.126 1.00 0.16 C ATOM 1360 C ALA A 92 75.301 11.155 -4.295 1.00 0.16 C ATOM 1361 O ALA A 92 74.378 10.480 -4.703 1.00 0.15 O ATOM 1362 CB ALA A 92 77.568 11.197 -5.237 1.00 0.17 C ATOM 0 H ALA A 92 76.393 8.712 -5.126 1.00 0.15 H new ATOM 0 HA ALA A 92 77.112 10.826 -3.143 1.00 0.16 H new ATOM 0 HB1 ALA A 92 77.563 12.283 -5.143 1.00 0.17 H new ATOM 0 HB2 ALA A 92 78.591 10.830 -5.150 1.00 0.17 H new ATOM 0 HB3 ALA A 92 77.163 10.915 -6.209 1.00 0.17 H new ATOM 1368 N ASN A 93 75.158 12.425 -4.009 1.00 0.17 N ATOM 1369 CA ASN A 93 73.847 13.123 -4.167 1.00 0.18 C ATOM 1370 C ASN A 93 73.982 14.087 -5.345 1.00 0.18 C ATOM 1371 O ASN A 93 74.693 15.069 -5.263 1.00 0.19 O ATOM 1372 CB ASN A 93 73.533 13.915 -2.890 1.00 0.20 C ATOM 1373 CG ASN A 93 72.200 14.650 -3.052 1.00 0.20 C ATOM 1374 OD1 ASN A 93 71.297 14.163 -3.704 1.00 0.34 O ATOM 1375 ND2 ASN A 93 72.036 15.811 -2.476 1.00 0.34 N ATOM 0 H ASN A 93 75.912 13.019 -3.665 1.00 0.17 H new ATOM 0 HA ASN A 93 73.044 12.407 -4.343 1.00 0.18 H new ATOM 0 HB2 ASN A 93 73.486 13.241 -2.035 1.00 0.20 H new ATOM 0 HB3 ASN A 93 74.331 14.630 -2.689 1.00 0.20 H new ATOM 0 HD21 ASN A 93 71.151 16.308 -2.574 1.00 0.34 H new ATOM 0 HD22 ASN A 93 72.793 16.220 -1.929 1.00 0.34 H new ATOM 1382 N ILE A 94 73.304 13.825 -6.437 1.00 0.18 N ATOM 1383 CA ILE A 94 73.385 14.737 -7.627 1.00 0.18 C ATOM 1384 C ILE A 94 72.016 15.391 -7.804 1.00 0.18 C ATOM 1385 O ILE A 94 71.069 14.788 -8.264 1.00 0.17 O ATOM 1386 CB ILE A 94 73.753 13.900 -8.861 1.00 0.19 C ATOM 1387 CG1 ILE A 94 75.198 13.395 -8.714 1.00 0.26 C ATOM 1388 CG2 ILE A 94 73.652 14.737 -10.140 1.00 0.24 C ATOM 1389 CD1 ILE A 94 75.523 12.302 -9.748 1.00 0.23 C ATOM 0 H ILE A 94 72.695 13.016 -6.558 1.00 0.18 H new ATOM 0 HA ILE A 94 74.142 15.509 -7.492 1.00 0.18 H new ATOM 0 HB ILE A 94 73.058 13.063 -8.931 1.00 0.19 H new ATOM 0 HG12 ILE A 94 75.890 14.229 -8.835 1.00 0.26 H new ATOM 0 HG13 ILE A 94 75.346 13.001 -7.708 1.00 0.26 H new ATOM 0 HG21 ILE A 94 73.918 14.122 -11.000 1.00 0.24 H new ATOM 0 HG22 ILE A 94 72.632 15.102 -10.256 1.00 0.24 H new ATOM 0 HG23 ILE A 94 74.335 15.584 -10.075 1.00 0.24 H new ATOM 0 HD11 ILE A 94 76.552 11.969 -9.614 1.00 0.23 H new ATOM 0 HD12 ILE A 94 74.848 11.458 -9.610 1.00 0.23 H new ATOM 0 HD13 ILE A 94 75.400 12.704 -10.754 1.00 0.23 H new ATOM 1401 N ASP A 95 71.931 16.639 -7.442 1.00 0.18 N ATOM 1402 CA ASP A 95 70.655 17.392 -7.585 1.00 0.18 C ATOM 1403 C ASP A 95 69.546 16.790 -6.713 1.00 0.18 C ATOM 1404 O ASP A 95 68.388 16.816 -7.079 1.00 0.18 O ATOM 1405 CB ASP A 95 70.221 17.379 -9.056 1.00 0.18 C ATOM 1406 CG ASP A 95 69.228 18.520 -9.309 1.00 0.19 C ATOM 1407 OD1 ASP A 95 68.737 19.076 -8.339 1.00 0.22 O ATOM 1408 OD2 ASP A 95 68.979 18.815 -10.466 1.00 0.22 O ATOM 0 H ASP A 95 72.702 17.177 -7.047 1.00 0.18 H new ATOM 0 HA ASP A 95 70.823 18.416 -7.252 1.00 0.18 H new ATOM 0 HB2 ASP A 95 71.091 17.490 -9.703 1.00 0.18 H new ATOM 0 HB3 ASP A 95 69.761 16.422 -9.302 1.00 0.18 H new ATOM 1413 N GLY A 96 69.872 16.259 -5.562 1.00 0.18 N ATOM 1414 CA GLY A 96 68.810 15.679 -4.683 1.00 0.18 C ATOM 1415 C GLY A 96 68.493 14.240 -5.102 1.00 0.18 C ATOM 1416 O GLY A 96 67.638 13.596 -4.526 1.00 0.19 O ATOM 0 H GLY A 96 70.822 16.202 -5.194 1.00 0.18 H new ATOM 0 HA2 GLY A 96 69.140 15.697 -3.644 1.00 0.18 H new ATOM 0 HA3 GLY A 96 67.908 16.288 -4.742 1.00 0.18 H new ATOM 1420 N THR A 97 69.188 13.723 -6.086 1.00 0.17 N ATOM 1421 CA THR A 97 68.945 12.313 -6.541 1.00 0.18 C ATOM 1422 C THR A 97 70.220 11.494 -6.311 1.00 0.17 C ATOM 1423 O THR A 97 71.315 11.949 -6.581 1.00 0.18 O ATOM 1424 CB THR A 97 68.582 12.316 -8.033 1.00 0.21 C ATOM 1425 OG1 THR A 97 67.296 12.898 -8.197 1.00 0.24 O ATOM 1426 CG2 THR A 97 68.565 10.882 -8.579 1.00 0.23 C ATOM 0 H THR A 97 69.918 14.218 -6.598 1.00 0.17 H new ATOM 0 HA THR A 97 68.123 11.871 -5.978 1.00 0.18 H new ATOM 0 HB THR A 97 69.327 12.893 -8.581 1.00 0.21 H new ATOM 0 HG1 THR A 97 67.059 12.904 -9.148 1.00 0.24 H new ATOM 0 HG21 THR A 97 68.306 10.899 -9.638 1.00 0.23 H new ATOM 0 HG22 THR A 97 69.550 10.433 -8.453 1.00 0.23 H new ATOM 0 HG23 THR A 97 67.826 10.294 -8.034 1.00 0.23 H new ATOM 1434 N LEU A 98 70.093 10.297 -5.798 1.00 0.17 N ATOM 1435 CA LEU A 98 71.308 9.467 -5.537 1.00 0.17 C ATOM 1436 C LEU A 98 71.730 8.738 -6.816 1.00 0.16 C ATOM 1437 O LEU A 98 70.907 8.247 -7.561 1.00 0.17 O ATOM 1438 CB LEU A 98 71.004 8.413 -4.473 1.00 0.18 C ATOM 1439 CG LEU A 98 70.445 9.046 -3.195 1.00 0.18 C ATOM 1440 CD1 LEU A 98 70.309 7.935 -2.154 1.00 0.22 C ATOM 1441 CD2 LEU A 98 71.403 10.127 -2.677 1.00 0.26 C ATOM 0 H LEU A 98 69.205 9.860 -5.550 1.00 0.17 H new ATOM 0 HA LEU A 98 72.105 10.128 -5.197 1.00 0.17 H new ATOM 0 HB2 LEU A 98 70.286 7.694 -4.867 1.00 0.18 H new ATOM 0 HB3 LEU A 98 71.913 7.860 -4.238 1.00 0.18 H new ATOM 0 HG LEU A 98 69.480 9.513 -3.393 1.00 0.18 H new ATOM 0 HD11 LEU A 98 69.912 8.351 -1.228 1.00 0.22 H new ATOM 0 HD12 LEU A 98 69.631 7.168 -2.527 1.00 0.22 H new ATOM 0 HD13 LEU A 98 71.287 7.493 -1.964 1.00 0.22 H new ATOM 0 HD21 LEU A 98 70.995 10.570 -1.768 1.00 0.26 H new ATOM 0 HD22 LEU A 98 72.373 9.680 -2.459 1.00 0.26 H new ATOM 0 HD23 LEU A 98 71.523 10.901 -3.435 1.00 0.26 H new ATOM 1453 N LYS A 99 73.014 8.646 -7.054 1.00 0.16 N ATOM 1454 CA LYS A 99 73.529 7.929 -8.262 1.00 0.16 C ATOM 1455 C LYS A 99 74.910 7.339 -7.950 1.00 0.16 C ATOM 1456 O LYS A 99 75.769 8.014 -7.419 1.00 0.18 O ATOM 1457 CB LYS A 99 73.660 8.909 -9.442 1.00 0.17 C ATOM 1458 CG LYS A 99 72.293 9.132 -10.094 1.00 0.19 C ATOM 1459 CD LYS A 99 72.439 10.106 -11.262 1.00 0.23 C ATOM 1460 CE LYS A 99 71.129 10.160 -12.047 1.00 0.66 C ATOM 1461 NZ LYS A 99 71.237 11.190 -13.118 1.00 1.38 N ATOM 0 H LYS A 99 73.738 9.043 -6.455 1.00 0.16 H new ATOM 0 HA LYS A 99 72.832 7.134 -8.528 1.00 0.16 H new ATOM 0 HB2 LYS A 99 74.064 9.859 -9.093 1.00 0.17 H new ATOM 0 HB3 LYS A 99 74.362 8.514 -10.177 1.00 0.17 H new ATOM 0 HG2 LYS A 99 71.887 8.184 -10.446 1.00 0.19 H new ATOM 0 HG3 LYS A 99 71.589 9.528 -9.362 1.00 0.19 H new ATOM 0 HD2 LYS A 99 72.695 11.099 -10.892 1.00 0.23 H new ATOM 0 HD3 LYS A 99 73.253 9.789 -11.914 1.00 0.23 H new ATOM 0 HE2 LYS A 99 70.914 9.185 -12.485 1.00 0.66 H new ATOM 0 HE3 LYS A 99 70.301 10.399 -11.379 1.00 0.66 H new ATOM 0 HZ1 LYS A 99 70.346 11.229 -13.654 1.00 1.38 H new ATOM 0 HZ2 LYS A 99 71.423 12.119 -12.689 1.00 1.38 H new ATOM 0 HZ3 LYS A 99 72.017 10.943 -13.760 1.00 1.38 H new ATOM 1475 N TYR A 100 75.146 6.103 -8.293 1.00 0.16 N ATOM 1476 CA TYR A 100 76.483 5.494 -8.036 1.00 0.17 C ATOM 1477 C TYR A 100 77.508 6.150 -8.969 1.00 0.21 C ATOM 1478 O TYR A 100 77.233 6.395 -10.128 1.00 0.22 O ATOM 1479 CB TYR A 100 76.418 3.997 -8.359 1.00 0.17 C ATOM 1480 CG TYR A 100 77.795 3.391 -8.235 1.00 0.19 C ATOM 1481 CD1 TYR A 100 78.683 3.458 -9.317 1.00 0.25 C ATOM 1482 CD2 TYR A 100 78.190 2.770 -7.042 1.00 0.19 C ATOM 1483 CE1 TYR A 100 79.963 2.902 -9.209 1.00 0.29 C ATOM 1484 CE2 TYR A 100 79.473 2.216 -6.936 1.00 0.24 C ATOM 1485 CZ TYR A 100 80.358 2.282 -8.019 1.00 0.28 C ATOM 1486 OH TYR A 100 81.620 1.735 -7.912 1.00 0.33 O ATOM 0 H TYR A 100 74.469 5.486 -8.742 1.00 0.16 H new ATOM 0 HA TYR A 100 76.767 5.642 -6.994 1.00 0.17 H new ATOM 0 HB2 TYR A 100 75.728 3.498 -7.679 1.00 0.17 H new ATOM 0 HB3 TYR A 100 76.034 3.849 -9.368 1.00 0.17 H new ATOM 0 HD1 TYR A 100 78.379 3.939 -10.235 1.00 0.25 H new ATOM 0 HD2 TYR A 100 77.507 2.719 -6.207 1.00 0.19 H new ATOM 0 HE1 TYR A 100 80.646 2.952 -10.044 1.00 0.29 H new ATOM 0 HE2 TYR A 100 79.779 1.737 -6.018 1.00 0.24 H new ATOM 0 HH TYR A 100 81.733 1.345 -7.020 1.00 0.33 H new ATOM 1496 N GLU A 101 78.692 6.424 -8.484 1.00 0.26 N ATOM 1497 CA GLU A 101 79.734 7.057 -9.351 1.00 0.33 C ATOM 1498 C GLU A 101 81.120 6.560 -8.934 1.00 0.40 C ATOM 1499 O GLU A 101 81.957 6.398 -9.806 1.00 1.14 O ATOM 1500 CB GLU A 101 79.668 8.583 -9.207 1.00 0.41 C ATOM 1501 CG GLU A 101 79.922 8.986 -7.748 1.00 0.45 C ATOM 1502 CD GLU A 101 79.841 10.509 -7.625 1.00 1.09 C ATOM 1503 OE1 GLU A 101 79.212 11.120 -8.472 1.00 1.69 O ATOM 1504 OE2 GLU A 101 80.411 11.039 -6.684 1.00 1.44 O ATOM 1505 OXT GLU A 101 81.320 6.350 -7.749 1.00 1.12 O ATOM 0 H GLU A 101 78.983 6.237 -7.525 1.00 0.26 H new ATOM 0 HA GLU A 101 79.551 6.786 -10.391 1.00 0.33 H new ATOM 0 HB2 GLU A 101 80.409 9.050 -9.856 1.00 0.41 H new ATOM 0 HB3 GLU A 101 78.691 8.945 -9.528 1.00 0.41 H new ATOM 0 HG2 GLU A 101 79.186 8.517 -7.095 1.00 0.45 H new ATOM 0 HG3 GLU A 101 80.903 8.635 -7.427 1.00 0.45 H new TER 1512 GLU A 101