USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 855 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 4 SER OG : rot -19:sc= 0.418! USER MOD Set 1.2: A 8 HIS : no HE2:sc= -0.393 K(o=0.025,f=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.772 (180deg=-0.14) USER MOD Single : A 5 HIS : no HD1:sc= -0.0885 X(o=-0.088,f=-0.27) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 7 HIS : no HD1:sc= -0.0746 X(o=-0.075,f=-0.38) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0993 X(o=-0.099,f=-0.0034) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -127:sc= 0.931 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -67:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.58 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -11:sc= 0.546 USER MOD Single : A 46 GLN : amide:sc= -8.35! C(o=-8.3!,f=-10!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 19:sc= 0.549 USER MOD Single : A 57 ASN : amide:sc= -1.62 X(o=-1.6,f=-2.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.0035) USER MOD Single : A 62 CYS SG : rot 45:sc= 0.908 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -2.75! C(o=-2.8!,f=-3.8!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0114 F(o=-0.91,f=-0.011) USER MOD Single : A 85 TYR OH : rot 154:sc= 1.27 USER MOD Single : A 88 ASN : amide:sc= -0.702 X(o=-0.7,f=-0.87) USER MOD Single : A 89 TYR OH : rot 177:sc= -1.4! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.34) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0823) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0612 USER MOD Single : A 104 SER OG : rot 26:sc= 0.569 USER MOD Single : A 107 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0321) USER MOD Single : A 109 LYS NZ :NH3+ 165:sc= -0.0141 (180deg=-0.195) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.807 -25.102 -18.238 1.00 3.33 N ATOM 2 CA MET A 1 19.356 -24.349 -19.360 1.00 12.54 C ATOM 3 C MET A 1 18.661 -24.731 -20.663 1.00 24.23 C ATOM 4 O MET A 1 18.202 -25.861 -20.823 1.00 70.52 O ATOM 5 CB MET A 1 20.861 -24.594 -19.479 1.00 62.10 C ATOM 6 CG MET A 1 21.633 -24.263 -18.212 1.00 44.23 C ATOM 7 SD MET A 1 21.843 -25.692 -17.133 1.00 11.22 S ATOM 8 CE MET A 1 23.226 -26.512 -17.921 1.00 44.32 C ATOM 0 H1 MET A 1 18.306 -24.454 -17.597 1.00 3.33 H new ATOM 0 H2 MET A 1 18.143 -25.820 -18.593 1.00 3.33 H new ATOM 0 H3 MET A 1 19.580 -25.570 -17.723 1.00 3.33 H new ATOM 0 HA MET A 1 19.182 -23.289 -19.174 1.00 12.54 H new ATOM 0 HB2 MET A 1 21.031 -25.640 -19.736 1.00 62.10 H new ATOM 0 HB3 MET A 1 21.254 -23.996 -20.301 1.00 62.10 H new ATOM 0 HG2 MET A 1 22.613 -23.869 -18.481 1.00 44.23 H new ATOM 0 HG3 MET A 1 21.111 -23.476 -17.668 1.00 44.23 H new ATOM 0 HE1 MET A 1 23.476 -27.417 -17.368 1.00 44.32 H new ATOM 0 HE2 MET A 1 22.958 -26.775 -18.944 1.00 44.32 H new ATOM 0 HE3 MET A 1 24.087 -25.844 -17.931 1.00 44.32 H new ATOM 18 N ALA A 2 18.589 -23.782 -21.590 1.00 75.11 N ATOM 19 CA ALA A 2 17.952 -24.021 -22.879 1.00 73.02 C ATOM 20 C ALA A 2 16.538 -24.564 -22.701 1.00 20.31 C ATOM 21 O ALA A 2 16.324 -25.776 -22.700 1.00 14.33 O ATOM 22 CB ALA A 2 18.788 -24.983 -23.711 1.00 13.42 C ATOM 0 H ALA A 2 18.964 -22.841 -21.473 1.00 75.11 H new ATOM 0 HA ALA A 2 17.884 -23.068 -23.404 1.00 73.02 H new ATOM 0 HB1 ALA A 2 18.300 -25.152 -24.671 1.00 13.42 H new ATOM 0 HB2 ALA A 2 19.777 -24.556 -23.877 1.00 13.42 H new ATOM 0 HB3 ALA A 2 18.886 -25.931 -23.182 1.00 13.42 H new ATOM 28 N GLY A 3 15.576 -23.659 -22.550 1.00 33.23 N ATOM 29 CA GLY A 3 14.195 -24.068 -22.372 1.00 15.33 C ATOM 30 C GLY A 3 13.323 -23.697 -23.555 1.00 62.14 C ATOM 31 O GLY A 3 13.467 -22.616 -24.126 1.00 71.02 O ATOM 0 H GLY A 3 15.728 -22.650 -22.548 1.00 33.23 H new ATOM 0 HA2 GLY A 3 14.156 -25.147 -22.220 1.00 15.33 H new ATOM 0 HA3 GLY A 3 13.795 -23.604 -21.470 1.00 15.33 H new ATOM 35 N SER A 4 12.418 -24.597 -23.926 1.00 53.34 N ATOM 36 CA SER A 4 11.523 -24.361 -25.054 1.00 3.03 C ATOM 37 C SER A 4 10.595 -23.183 -24.773 1.00 73.34 C ATOM 38 O SER A 4 9.910 -23.147 -23.750 1.00 64.22 O ATOM 39 CB SER A 4 10.699 -25.616 -25.349 1.00 44.33 C ATOM 40 OG SER A 4 9.432 -25.553 -24.719 1.00 73.51 O ATOM 0 H SER A 4 12.285 -25.496 -23.463 1.00 53.34 H new ATOM 0 HA SER A 4 12.132 -24.122 -25.926 1.00 3.03 H new ATOM 0 HB2 SER A 4 10.568 -25.724 -26.426 1.00 44.33 H new ATOM 0 HB3 SER A 4 11.237 -26.498 -25.003 1.00 44.33 H new ATOM 0 HG SER A 4 9.460 -24.894 -23.994 1.00 73.51 H new ATOM 46 N HIS A 5 10.577 -22.221 -25.690 1.00 54.12 N ATOM 47 CA HIS A 5 9.732 -21.041 -25.543 1.00 51.11 C ATOM 48 C HIS A 5 8.831 -20.862 -26.762 1.00 25.12 C ATOM 49 O HIS A 5 9.291 -20.464 -27.833 1.00 32.31 O ATOM 50 CB HIS A 5 10.593 -19.793 -25.343 1.00 73.21 C ATOM 51 CG HIS A 5 10.252 -19.022 -24.105 1.00 73.41 C ATOM 52 ND1 HIS A 5 8.956 -18.810 -23.684 1.00 10.30 N ATOM 53 CD2 HIS A 5 11.046 -18.413 -23.194 1.00 65.42 C ATOM 54 CE1 HIS A 5 8.968 -18.102 -22.569 1.00 4.23 C ATOM 55 NE2 HIS A 5 10.225 -17.849 -22.250 1.00 10.32 N ATOM 0 H HIS A 5 11.137 -22.235 -26.542 1.00 54.12 H new ATOM 0 HA HIS A 5 9.102 -21.183 -24.665 1.00 51.11 H new ATOM 0 HB2 HIS A 5 11.641 -20.088 -25.300 1.00 73.21 H new ATOM 0 HB3 HIS A 5 10.480 -19.141 -26.209 1.00 73.21 H new ATOM 0 HD2 HIS A 5 12.125 -18.377 -23.207 1.00 65.42 H new ATOM 0 HE1 HIS A 5 8.099 -17.784 -22.013 1.00 4.23 H new ATOM 0 HE2 HIS A 5 10.535 -17.320 -21.435 1.00 10.32 H new ATOM 63 N HIS A 6 7.547 -21.159 -26.591 1.00 61.23 N ATOM 64 CA HIS A 6 6.582 -21.031 -27.678 1.00 21.45 C ATOM 65 C HIS A 6 5.157 -20.987 -27.135 1.00 54.45 C ATOM 66 O HIS A 6 4.435 -20.009 -27.338 1.00 30.44 O ATOM 67 CB HIS A 6 6.731 -22.194 -28.659 1.00 75.13 C ATOM 68 CG HIS A 6 6.654 -21.778 -30.096 1.00 61.21 C ATOM 69 ND1 HIS A 6 7.543 -22.217 -31.055 1.00 1.53 N ATOM 70 CD2 HIS A 6 5.786 -20.960 -30.736 1.00 60.31 C ATOM 71 CE1 HIS A 6 7.226 -21.685 -32.222 1.00 2.22 C ATOM 72 NE2 HIS A 6 6.163 -20.919 -32.056 1.00 2.32 N ATOM 0 H HIS A 6 7.150 -21.490 -25.711 1.00 61.23 H new ATOM 0 HA HIS A 6 6.782 -20.096 -28.202 1.00 21.45 H new ATOM 0 HB2 HIS A 6 7.687 -22.687 -28.483 1.00 75.13 H new ATOM 0 HB3 HIS A 6 5.951 -22.929 -28.460 1.00 75.13 H new ATOM 0 HD2 HIS A 6 4.952 -20.437 -30.291 1.00 60.31 H new ATOM 0 HE1 HIS A 6 7.748 -21.849 -33.153 1.00 2.22 H new ATOM 0 HE2 HIS A 6 5.698 -20.384 -32.789 1.00 2.32 H new ATOM 80 N HIS A 7 4.757 -22.051 -26.447 1.00 12.13 N ATOM 81 CA HIS A 7 3.417 -22.133 -25.876 1.00 1.13 C ATOM 82 C HIS A 7 3.285 -23.357 -24.975 1.00 35.21 C ATOM 83 O HIS A 7 3.591 -24.478 -25.384 1.00 1.43 O ATOM 84 CB HIS A 7 2.368 -22.187 -26.987 1.00 65.11 C ATOM 85 CG HIS A 7 1.567 -20.928 -27.116 1.00 62.34 C ATOM 86 ND1 HIS A 7 1.637 -20.101 -28.218 1.00 24.35 N ATOM 87 CD2 HIS A 7 0.673 -20.358 -26.275 1.00 43.44 C ATOM 88 CE1 HIS A 7 0.823 -19.075 -28.048 1.00 33.45 C ATOM 89 NE2 HIS A 7 0.225 -19.207 -26.877 1.00 22.30 N ATOM 0 H HIS A 7 5.341 -22.868 -26.271 1.00 12.13 H new ATOM 0 HA HIS A 7 3.250 -21.240 -25.273 1.00 1.13 H new ATOM 0 HB2 HIS A 7 2.865 -22.390 -27.935 1.00 65.11 H new ATOM 0 HB3 HIS A 7 1.692 -23.020 -26.797 1.00 65.11 H new ATOM 0 HD2 HIS A 7 0.369 -20.737 -25.311 1.00 43.44 H new ATOM 0 HE1 HIS A 7 0.672 -18.266 -28.747 1.00 33.45 H new ATOM 0 HE2 HIS A 7 -0.458 -18.560 -26.484 1.00 22.30 H new ATOM 97 N HIS A 8 2.827 -23.136 -23.747 1.00 14.42 N ATOM 98 CA HIS A 8 2.654 -24.221 -22.788 1.00 13.01 C ATOM 99 C HIS A 8 1.224 -24.253 -22.256 1.00 22.14 C ATOM 100 O HIS A 8 0.756 -23.291 -21.646 1.00 50.22 O ATOM 101 CB HIS A 8 3.639 -24.067 -21.629 1.00 34.34 C ATOM 102 CG HIS A 8 5.035 -24.489 -21.969 1.00 31.10 C ATOM 103 ND1 HIS A 8 5.794 -25.303 -21.156 1.00 24.52 N ATOM 104 CD2 HIS A 8 5.808 -24.206 -23.043 1.00 42.02 C ATOM 105 CE1 HIS A 8 6.975 -25.502 -21.714 1.00 41.42 C ATOM 106 NE2 HIS A 8 7.009 -24.847 -22.861 1.00 11.22 N ATOM 0 H HIS A 8 2.569 -22.215 -23.393 1.00 14.42 H new ATOM 0 HA HIS A 8 2.853 -25.162 -23.301 1.00 13.01 H new ATOM 0 HB2 HIS A 8 3.651 -23.025 -21.309 1.00 34.34 H new ATOM 0 HB3 HIS A 8 3.286 -24.656 -20.783 1.00 34.34 H new ATOM 0 HD1 HIS A 8 5.491 -25.691 -20.263 1.00 24.52 H new ATOM 0 HD2 HIS A 8 5.532 -23.591 -23.886 1.00 42.02 H new ATOM 0 HE1 HIS A 8 7.776 -26.098 -21.303 1.00 41.42 H new ATOM 114 N HIS A 9 0.535 -25.365 -22.490 1.00 62.43 N ATOM 115 CA HIS A 9 -0.841 -25.523 -22.034 1.00 54.55 C ATOM 116 C HIS A 9 -0.923 -26.526 -20.888 1.00 41.10 C ATOM 117 O HIS A 9 -0.279 -27.575 -20.921 1.00 3.04 O ATOM 118 CB HIS A 9 -1.735 -25.976 -23.189 1.00 63.44 C ATOM 119 CG HIS A 9 -2.601 -24.886 -23.741 1.00 22.10 C ATOM 120 ND1 HIS A 9 -3.977 -24.967 -23.785 1.00 24.34 N ATOM 121 CD2 HIS A 9 -2.279 -23.683 -24.272 1.00 73.54 C ATOM 122 CE1 HIS A 9 -4.464 -23.863 -24.321 1.00 1.54 C ATOM 123 NE2 HIS A 9 -3.455 -23.067 -24.625 1.00 5.21 N ATOM 0 H HIS A 9 0.907 -26.170 -22.993 1.00 62.43 H new ATOM 0 HA HIS A 9 -1.190 -24.556 -21.672 1.00 54.55 H new ATOM 0 HB2 HIS A 9 -1.109 -26.371 -23.989 1.00 63.44 H new ATOM 0 HB3 HIS A 9 -2.369 -26.794 -22.847 1.00 63.44 H new ATOM 0 HD2 HIS A 9 -1.284 -23.282 -24.395 1.00 73.54 H new ATOM 0 HE1 HIS A 9 -5.510 -23.648 -24.483 1.00 1.54 H new ATOM 0 HE2 HIS A 9 -3.536 -22.144 -25.053 1.00 5.21 H new ATOM 131 N HIS A 10 -1.718 -26.197 -19.875 1.00 51.50 N ATOM 132 CA HIS A 10 -1.883 -27.069 -18.718 1.00 34.11 C ATOM 133 C HIS A 10 -2.611 -28.353 -19.105 1.00 63.12 C ATOM 134 O HIS A 10 -3.449 -28.356 -20.005 1.00 55.12 O ATOM 135 CB HIS A 10 -2.654 -26.346 -17.613 1.00 54.23 C ATOM 136 CG HIS A 10 -1.823 -25.362 -16.848 1.00 74.32 C ATOM 137 ND1 HIS A 10 -2.355 -24.480 -15.932 1.00 12.31 N ATOM 138 CD2 HIS A 10 -0.491 -25.126 -16.866 1.00 23.31 C ATOM 139 CE1 HIS A 10 -1.386 -23.742 -15.420 1.00 62.24 C ATOM 140 NE2 HIS A 10 -0.244 -24.115 -15.970 1.00 72.03 N ATOM 0 H HIS A 10 -2.258 -25.333 -19.832 1.00 51.50 H new ATOM 0 HA HIS A 10 -0.892 -27.331 -18.348 1.00 34.11 H new ATOM 0 HB2 HIS A 10 -3.504 -25.826 -18.055 1.00 54.23 H new ATOM 0 HB3 HIS A 10 -3.058 -27.084 -16.920 1.00 54.23 H new ATOM 0 HD2 HIS A 10 0.242 -25.638 -17.472 1.00 23.31 H new ATOM 0 HE1 HIS A 10 -1.507 -22.966 -14.678 1.00 62.24 H new ATOM 0 HE2 HIS A 10 0.672 -23.717 -15.763 1.00 72.03 H new ATOM 148 N GLY A 11 -2.282 -29.444 -18.419 1.00 53.22 N ATOM 149 CA GLY A 11 -2.913 -30.719 -18.707 1.00 3.11 C ATOM 150 C GLY A 11 -2.836 -31.680 -17.538 1.00 32.45 C ATOM 151 O GLY A 11 -3.853 -32.218 -17.100 1.00 13.04 O ATOM 0 H GLY A 11 -1.590 -29.467 -17.670 1.00 53.22 H new ATOM 0 HA2 GLY A 11 -3.958 -30.553 -18.969 1.00 3.11 H new ATOM 0 HA3 GLY A 11 -2.434 -31.170 -19.576 1.00 3.11 H new ATOM 155 N SER A 12 -1.627 -31.899 -17.031 1.00 62.13 N ATOM 156 CA SER A 12 -1.421 -32.807 -15.909 1.00 4.00 C ATOM 157 C SER A 12 -0.675 -32.109 -14.776 1.00 24.23 C ATOM 158 O SER A 12 0.555 -32.114 -14.732 1.00 62.22 O ATOM 159 CB SER A 12 -0.642 -34.043 -16.362 1.00 62.42 C ATOM 160 OG SER A 12 -1.026 -34.438 -17.668 1.00 33.02 O ATOM 0 H SER A 12 -0.775 -31.460 -17.380 1.00 62.13 H new ATOM 0 HA SER A 12 -2.399 -33.118 -15.540 1.00 4.00 H new ATOM 0 HB2 SER A 12 0.427 -33.830 -16.343 1.00 62.42 H new ATOM 0 HB3 SER A 12 -0.817 -34.862 -15.665 1.00 62.42 H new ATOM 0 HG SER A 12 -0.512 -35.229 -17.935 1.00 33.02 H new ATOM 166 N MET A 13 -1.429 -31.509 -13.860 1.00 62.54 N ATOM 167 CA MET A 13 -0.840 -30.808 -12.726 1.00 3.13 C ATOM 168 C MET A 13 -1.597 -31.122 -11.440 1.00 33.14 C ATOM 169 O MET A 13 -2.781 -31.457 -11.472 1.00 15.34 O ATOM 170 CB MET A 13 -0.840 -29.299 -12.976 1.00 0.41 C ATOM 171 CG MET A 13 -0.025 -28.884 -14.190 1.00 2.20 C ATOM 172 SD MET A 13 1.242 -27.663 -13.792 1.00 75.33 S ATOM 173 CE MET A 13 2.731 -28.598 -14.131 1.00 62.31 C ATOM 0 H MET A 13 -2.449 -31.495 -13.882 1.00 62.54 H new ATOM 0 HA MET A 13 0.189 -31.150 -12.614 1.00 3.13 H new ATOM 0 HB2 MET A 13 -1.868 -28.961 -13.106 1.00 0.41 H new ATOM 0 HB3 MET A 13 -0.447 -28.793 -12.094 1.00 0.41 H new ATOM 0 HG2 MET A 13 0.448 -29.765 -14.623 1.00 2.20 H new ATOM 0 HG3 MET A 13 -0.693 -28.475 -14.948 1.00 2.20 H new ATOM 0 HE1 MET A 13 3.604 -27.977 -13.932 1.00 62.31 H new ATOM 0 HE2 MET A 13 2.760 -29.480 -13.492 1.00 62.31 H new ATOM 0 HE3 MET A 13 2.737 -28.907 -15.176 1.00 62.31 H new ATOM 183 N SER A 14 -0.907 -31.012 -10.309 1.00 64.42 N ATOM 184 CA SER A 14 -1.514 -31.289 -9.013 1.00 3.15 C ATOM 185 C SER A 14 -1.955 -32.746 -8.919 1.00 73.22 C ATOM 186 O SER A 14 -3.000 -33.124 -9.448 1.00 51.22 O ATOM 187 CB SER A 14 -2.711 -30.365 -8.779 1.00 22.31 C ATOM 188 OG SER A 14 -3.146 -30.426 -7.432 1.00 35.22 O ATOM 0 H SER A 14 0.073 -30.733 -10.264 1.00 64.42 H new ATOM 0 HA SER A 14 -0.766 -31.105 -8.242 1.00 3.15 H new ATOM 0 HB2 SER A 14 -2.438 -29.340 -9.030 1.00 22.31 H new ATOM 0 HB3 SER A 14 -3.529 -30.649 -9.442 1.00 22.31 H new ATOM 0 HG SER A 14 -3.911 -29.826 -7.308 1.00 35.22 H new ATOM 194 N GLU A 15 -1.151 -33.560 -8.242 1.00 42.32 N ATOM 195 CA GLU A 15 -1.458 -34.976 -8.080 1.00 51.10 C ATOM 196 C GLU A 15 -1.825 -35.291 -6.633 1.00 2.24 C ATOM 197 O GLU A 15 -2.018 -34.387 -5.819 1.00 24.01 O ATOM 198 CB GLU A 15 -0.266 -35.832 -8.514 1.00 12.15 C ATOM 199 CG GLU A 15 -0.617 -36.882 -9.554 1.00 55.22 C ATOM 200 CD GLU A 15 0.608 -37.566 -10.129 1.00 55.02 C ATOM 201 OE1 GLU A 15 1.226 -38.378 -9.409 1.00 53.20 O ATOM 202 OE2 GLU A 15 0.948 -37.290 -11.298 1.00 41.13 O ATOM 0 H GLU A 15 -0.282 -33.263 -7.797 1.00 42.32 H new ATOM 0 HA GLU A 15 -2.314 -35.211 -8.713 1.00 51.10 H new ATOM 0 HB2 GLU A 15 0.511 -35.181 -8.915 1.00 12.15 H new ATOM 0 HB3 GLU A 15 0.153 -36.327 -7.638 1.00 12.15 H new ATOM 0 HG2 GLU A 15 -1.269 -37.631 -9.103 1.00 55.22 H new ATOM 0 HG3 GLU A 15 -1.180 -36.414 -10.362 1.00 55.22 H new ATOM 209 N TYR A 16 -1.920 -36.578 -6.319 1.00 62.15 N ATOM 210 CA TYR A 16 -2.266 -37.013 -4.972 1.00 33.43 C ATOM 211 C TYR A 16 -1.365 -38.158 -4.520 1.00 64.22 C ATOM 212 O TYR A 16 -0.473 -38.587 -5.254 1.00 33.24 O ATOM 213 CB TYR A 16 -3.731 -37.450 -4.915 1.00 71.31 C ATOM 214 CG TYR A 16 -4.176 -38.237 -6.127 1.00 44.14 C ATOM 215 CD1 TYR A 16 -5.036 -37.678 -7.065 1.00 23.30 C ATOM 216 CD2 TYR A 16 -3.737 -39.539 -6.335 1.00 3.40 C ATOM 217 CE1 TYR A 16 -5.445 -38.393 -8.174 1.00 33.31 C ATOM 218 CE2 TYR A 16 -4.140 -40.260 -7.442 1.00 22.44 C ATOM 219 CZ TYR A 16 -4.994 -39.684 -8.358 1.00 52.40 C ATOM 220 OH TYR A 16 -5.399 -40.400 -9.461 1.00 12.10 O ATOM 0 H TYR A 16 -1.762 -37.339 -6.980 1.00 62.15 H new ATOM 0 HA TYR A 16 -2.118 -36.170 -4.297 1.00 33.43 H new ATOM 0 HB2 TYR A 16 -3.886 -38.056 -4.022 1.00 71.31 H new ATOM 0 HB3 TYR A 16 -4.361 -36.566 -4.815 1.00 71.31 H new ATOM 0 HD1 TYR A 16 -5.390 -36.668 -6.924 1.00 23.30 H new ATOM 0 HD2 TYR A 16 -3.069 -39.995 -5.619 1.00 3.40 H new ATOM 0 HE1 TYR A 16 -6.114 -37.944 -8.893 1.00 33.31 H new ATOM 0 HE2 TYR A 16 -3.788 -41.270 -7.589 1.00 22.44 H new ATOM 0 HH TYR A 16 -4.990 -41.291 -9.441 1.00 12.10 H new ATOM 230 N ILE A 17 -1.604 -38.648 -3.309 1.00 23.34 N ATOM 231 CA ILE A 17 -0.815 -39.744 -2.759 1.00 73.21 C ATOM 232 C ILE A 17 -1.696 -40.947 -2.437 1.00 4.03 C ATOM 233 O ILE A 17 -2.659 -40.838 -1.678 1.00 70.30 O ATOM 234 CB ILE A 17 -0.066 -39.314 -1.484 1.00 63.52 C ATOM 235 CG1 ILE A 17 0.557 -40.532 -0.798 1.00 5.20 C ATOM 236 CG2 ILE A 17 -1.008 -38.589 -0.535 1.00 23.10 C ATOM 237 CD1 ILE A 17 1.415 -40.179 0.397 1.00 44.43 C ATOM 0 H ILE A 17 -2.338 -38.304 -2.689 1.00 23.34 H new ATOM 0 HA ILE A 17 -0.087 -40.023 -3.521 1.00 73.21 H new ATOM 0 HB ILE A 17 0.734 -38.629 -1.764 1.00 63.52 H new ATOM 0 HG12 ILE A 17 -0.238 -41.205 -0.478 1.00 5.20 H new ATOM 0 HG13 ILE A 17 1.163 -41.076 -1.522 1.00 5.20 H new ATOM 0 HG21 ILE A 17 -0.464 -38.292 0.361 1.00 23.10 H new ATOM 0 HG22 ILE A 17 -1.409 -37.703 -1.027 1.00 23.10 H new ATOM 0 HG23 ILE A 17 -1.827 -39.252 -0.258 1.00 23.10 H new ATOM 0 HD11 ILE A 17 1.824 -41.090 0.833 1.00 44.43 H new ATOM 0 HD12 ILE A 17 2.232 -39.531 0.080 1.00 44.43 H new ATOM 0 HD13 ILE A 17 0.809 -39.661 1.140 1.00 44.43 H new ATOM 249 N ARG A 18 -1.357 -42.094 -3.017 1.00 2.41 N ATOM 250 CA ARG A 18 -2.116 -43.318 -2.791 1.00 41.30 C ATOM 251 C ARG A 18 -1.277 -44.346 -2.038 1.00 73.42 C ATOM 252 O ARG A 18 -0.385 -44.973 -2.609 1.00 61.34 O ATOM 253 CB ARG A 18 -2.587 -43.904 -4.123 1.00 61.11 C ATOM 254 CG ARG A 18 -4.066 -43.687 -4.395 1.00 75.11 C ATOM 255 CD ARG A 18 -4.754 -44.981 -4.801 1.00 61.33 C ATOM 256 NE ARG A 18 -4.868 -45.108 -6.252 1.00 32.54 N ATOM 257 CZ ARG A 18 -5.575 -46.059 -6.853 1.00 23.44 C ATOM 258 NH1 ARG A 18 -6.227 -46.961 -6.132 1.00 23.23 N ATOM 259 NH2 ARG A 18 -5.631 -46.109 -8.177 1.00 65.24 N ATOM 0 H ARG A 18 -0.562 -42.201 -3.647 1.00 2.41 H new ATOM 0 HA ARG A 18 -2.986 -43.070 -2.183 1.00 41.30 H new ATOM 0 HB2 ARG A 18 -2.008 -43.457 -4.932 1.00 61.11 H new ATOM 0 HB3 ARG A 18 -2.377 -44.974 -4.134 1.00 61.11 H new ATOM 0 HG2 ARG A 18 -4.545 -43.283 -3.503 1.00 75.11 H new ATOM 0 HG3 ARG A 18 -4.187 -42.946 -5.185 1.00 75.11 H new ATOM 0 HD2 ARG A 18 -4.194 -45.829 -4.406 1.00 61.33 H new ATOM 0 HD3 ARG A 18 -5.748 -45.019 -4.355 1.00 61.33 H new ATOM 0 HE ARG A 18 -4.378 -44.430 -6.835 1.00 32.54 H new ATOM 0 HH11 ARG A 18 -6.187 -46.926 -5.113 1.00 23.23 H new ATOM 0 HH12 ARG A 18 -6.769 -47.690 -6.596 1.00 23.23 H new ATOM 0 HH21 ARG A 18 -5.131 -45.417 -8.735 1.00 65.24 H new ATOM 0 HH22 ARG A 18 -6.174 -46.840 -8.637 1.00 65.24 H new ATOM 273 N VAL A 19 -1.570 -44.514 -0.752 1.00 60.45 N ATOM 274 CA VAL A 19 -0.844 -45.467 0.079 1.00 42.02 C ATOM 275 C VAL A 19 -1.740 -46.036 1.173 1.00 22.11 C ATOM 276 O VAL A 19 -2.714 -45.405 1.585 1.00 61.11 O ATOM 277 CB VAL A 19 0.392 -44.817 0.729 1.00 50.23 C ATOM 278 CG1 VAL A 19 1.519 -44.681 -0.284 1.00 53.30 C ATOM 279 CG2 VAL A 19 0.031 -43.463 1.322 1.00 23.43 C ATOM 0 H VAL A 19 -2.305 -44.003 -0.263 1.00 60.45 H new ATOM 0 HA VAL A 19 -0.518 -46.275 -0.576 1.00 42.02 H new ATOM 0 HB VAL A 19 0.738 -45.462 1.537 1.00 50.23 H new ATOM 0 HG11 VAL A 19 2.384 -44.220 0.193 1.00 53.30 H new ATOM 0 HG12 VAL A 19 1.794 -45.668 -0.657 1.00 53.30 H new ATOM 0 HG13 VAL A 19 1.188 -44.058 -1.115 1.00 53.30 H new ATOM 0 HG21 VAL A 19 0.916 -43.018 1.777 1.00 23.43 H new ATOM 0 HG22 VAL A 19 -0.340 -42.808 0.534 1.00 23.43 H new ATOM 0 HG23 VAL A 19 -0.741 -43.592 2.080 1.00 23.43 H new ATOM 289 N THR A 20 -1.404 -47.234 1.642 1.00 2.12 N ATOM 290 CA THR A 20 -2.178 -47.889 2.689 1.00 62.43 C ATOM 291 C THR A 20 -1.302 -48.227 3.890 1.00 34.50 C ATOM 292 O THR A 20 -0.097 -48.433 3.752 1.00 31.13 O ATOM 293 CB THR A 20 -2.841 -49.180 2.172 1.00 12.00 C ATOM 294 OG1 THR A 20 -3.073 -50.081 3.260 1.00 34.14 O ATOM 295 CG2 THR A 20 -1.968 -49.855 1.125 1.00 34.41 C ATOM 0 H THR A 20 -0.601 -47.770 1.313 1.00 2.12 H new ATOM 0 HA THR A 20 -2.954 -47.188 2.995 1.00 62.43 H new ATOM 0 HB THR A 20 -3.793 -48.914 1.712 1.00 12.00 H new ATOM 0 HG1 THR A 20 -2.681 -50.954 3.051 1.00 34.14 H new ATOM 0 HG21 THR A 20 -2.457 -50.764 0.775 1.00 34.41 H new ATOM 0 HG22 THR A 20 -1.818 -49.177 0.285 1.00 34.41 H new ATOM 0 HG23 THR A 20 -1.003 -50.108 1.564 1.00 34.41 H new ATOM 303 N GLU A 21 -1.917 -48.284 5.067 1.00 11.24 N ATOM 304 CA GLU A 21 -1.192 -48.597 6.293 1.00 62.21 C ATOM 305 C GLU A 21 -0.903 -50.093 6.387 1.00 44.43 C ATOM 306 O GLU A 21 0.232 -50.502 6.635 1.00 14.13 O ATOM 307 CB GLU A 21 -1.992 -48.144 7.516 1.00 50.33 C ATOM 308 CG GLU A 21 -1.158 -48.029 8.781 1.00 70.04 C ATOM 309 CD GLU A 21 -1.701 -48.875 9.916 1.00 63.31 C ATOM 310 OE1 GLU A 21 -1.460 -50.101 9.909 1.00 51.13 O ATOM 311 OE2 GLU A 21 -2.366 -48.313 10.811 1.00 45.14 O ATOM 0 H GLU A 21 -2.915 -48.118 5.198 1.00 11.24 H new ATOM 0 HA GLU A 21 -0.243 -48.061 6.270 1.00 62.21 H new ATOM 0 HB2 GLU A 21 -2.449 -47.178 7.303 1.00 50.33 H new ATOM 0 HB3 GLU A 21 -2.805 -48.849 7.690 1.00 50.33 H new ATOM 0 HG2 GLU A 21 -0.133 -48.332 8.565 1.00 70.04 H new ATOM 0 HG3 GLU A 21 -1.123 -46.986 9.095 1.00 70.04 H new ATOM 318 N ASP A 22 -1.936 -50.903 6.187 1.00 52.45 N ATOM 319 CA ASP A 22 -1.794 -52.353 6.248 1.00 54.33 C ATOM 320 C ASP A 22 -1.860 -52.965 4.852 1.00 53.51 C ATOM 321 O ASP A 22 -2.625 -52.511 4.001 1.00 2.11 O ATOM 322 CB ASP A 22 -2.885 -52.956 7.135 1.00 64.14 C ATOM 323 CG ASP A 22 -2.535 -52.889 8.608 1.00 13.33 C ATOM 324 OD1 ASP A 22 -1.601 -53.602 9.030 1.00 4.11 O ATOM 325 OD2 ASP A 22 -3.196 -52.122 9.340 1.00 61.23 O ATOM 0 H ASP A 22 -2.881 -50.580 5.981 1.00 52.45 H new ATOM 0 HA ASP A 22 -0.819 -52.580 6.679 1.00 54.33 H new ATOM 0 HB2 ASP A 22 -3.823 -52.428 6.963 1.00 64.14 H new ATOM 0 HB3 ASP A 22 -3.048 -53.995 6.850 1.00 64.14 H new ATOM 330 N GLU A 23 -1.053 -53.996 4.624 1.00 1.15 N ATOM 331 CA GLU A 23 -1.019 -54.668 3.331 1.00 50.12 C ATOM 332 C GLU A 23 -2.377 -55.279 2.999 1.00 35.15 C ATOM 333 O GLU A 23 -2.779 -55.332 1.838 1.00 53.20 O ATOM 334 CB GLU A 23 0.057 -55.756 3.324 1.00 1.43 C ATOM 335 CG GLU A 23 -0.252 -56.923 4.247 1.00 43.14 C ATOM 336 CD GLU A 23 0.994 -57.513 4.878 1.00 3.44 C ATOM 337 OE1 GLU A 23 0.860 -58.252 5.876 1.00 13.43 O ATOM 338 OE2 GLU A 23 2.103 -57.235 4.376 1.00 62.42 O ATOM 0 H GLU A 23 -0.414 -54.384 5.318 1.00 1.15 H new ATOM 0 HA GLU A 23 -0.779 -53.925 2.571 1.00 50.12 H new ATOM 0 HB2 GLU A 23 0.177 -56.130 2.307 1.00 1.43 H new ATOM 0 HB3 GLU A 23 1.010 -55.315 3.616 1.00 1.43 H new ATOM 0 HG2 GLU A 23 -0.930 -56.590 5.033 1.00 43.14 H new ATOM 0 HG3 GLU A 23 -0.772 -57.698 3.685 1.00 43.14 H new ATOM 345 N ASN A 24 -3.079 -55.740 4.030 1.00 74.34 N ATOM 346 CA ASN A 24 -4.392 -56.349 3.849 1.00 72.24 C ATOM 347 C ASN A 24 -5.434 -55.296 3.484 1.00 74.42 C ATOM 348 O ASN A 24 -6.425 -55.594 2.816 1.00 31.12 O ATOM 349 CB ASN A 24 -4.817 -57.084 5.122 1.00 43.51 C ATOM 350 CG ASN A 24 -5.749 -58.245 4.836 1.00 15.40 C ATOM 351 OD1 ASN A 24 -5.310 -59.330 4.456 1.00 45.43 O ATOM 352 ND2 ASN A 24 -7.046 -58.021 5.018 1.00 3.42 N ATOM 0 H ASN A 24 -2.761 -55.703 4.998 1.00 74.34 H new ATOM 0 HA ASN A 24 -4.323 -57.065 3.030 1.00 72.24 H new ATOM 0 HB2 ASN A 24 -3.931 -57.452 5.639 1.00 43.51 H new ATOM 0 HB3 ASN A 24 -5.310 -56.383 5.795 1.00 43.51 H new ATOM 0 HD21 ASN A 24 -7.722 -58.764 4.841 1.00 3.42 H new ATOM 0 HD22 ASN A 24 -7.366 -57.106 5.334 1.00 3.42 H new ATOM 359 N ASP A 25 -5.203 -54.065 3.926 1.00 34.20 N ATOM 360 CA ASP A 25 -6.121 -52.967 3.645 1.00 20.10 C ATOM 361 C ASP A 25 -5.883 -52.405 2.247 1.00 13.41 C ATOM 362 O ASP A 25 -4.798 -52.550 1.686 1.00 60.20 O ATOM 363 CB ASP A 25 -5.960 -51.860 4.688 1.00 62.10 C ATOM 364 CG ASP A 25 -6.597 -52.219 6.016 1.00 10.41 C ATOM 365 OD1 ASP A 25 -6.143 -51.692 7.054 1.00 71.03 O ATOM 366 OD2 ASP A 25 -7.550 -53.025 6.018 1.00 72.12 O ATOM 0 H ASP A 25 -4.388 -53.802 4.480 1.00 34.20 H new ATOM 0 HA ASP A 25 -7.139 -53.355 3.693 1.00 20.10 H new ATOM 0 HB2 ASP A 25 -4.899 -51.659 4.840 1.00 62.10 H new ATOM 0 HB3 ASP A 25 -6.408 -50.941 4.310 1.00 62.10 H new ATOM 371 N GLU A 26 -6.906 -51.763 1.691 1.00 13.11 N ATOM 372 CA GLU A 26 -6.808 -51.181 0.358 1.00 51.32 C ATOM 373 C GLU A 26 -6.058 -49.852 0.398 1.00 32.31 C ATOM 374 O GLU A 26 -6.034 -49.155 1.412 1.00 0.33 O ATOM 375 CB GLU A 26 -8.203 -50.974 -0.236 1.00 42.35 C ATOM 376 CG GLU A 26 -8.513 -51.903 -1.398 1.00 55.41 C ATOM 377 CD GLU A 26 -9.122 -51.174 -2.581 1.00 20.42 C ATOM 378 OE1 GLU A 26 -8.729 -51.475 -3.728 1.00 1.53 O ATOM 379 OE2 GLU A 26 -9.990 -50.305 -2.360 1.00 14.20 O ATOM 0 H GLU A 26 -7.811 -51.633 2.143 1.00 13.11 H new ATOM 0 HA GLU A 26 -6.251 -51.874 -0.273 1.00 51.32 H new ATOM 0 HB2 GLU A 26 -8.948 -51.123 0.546 1.00 42.35 H new ATOM 0 HB3 GLU A 26 -8.296 -49.941 -0.572 1.00 42.35 H new ATOM 0 HG2 GLU A 26 -7.596 -52.401 -1.715 1.00 55.41 H new ATOM 0 HG3 GLU A 26 -9.199 -52.681 -1.063 1.00 55.41 H new ATOM 386 N PRO A 27 -5.430 -49.493 -0.732 1.00 34.34 N ATOM 387 CA PRO A 27 -4.668 -48.247 -0.852 1.00 21.03 C ATOM 388 C PRO A 27 -5.566 -47.015 -0.843 1.00 51.24 C ATOM 389 O PRO A 27 -6.296 -46.761 -1.802 1.00 42.12 O ATOM 390 CB PRO A 27 -3.967 -48.389 -2.205 1.00 53.12 C ATOM 391 CG PRO A 27 -4.830 -49.322 -2.982 1.00 61.43 C ATOM 392 CD PRO A 27 -5.417 -50.276 -1.979 1.00 20.13 C ATOM 0 HA PRO A 27 -3.984 -48.105 -0.015 1.00 21.03 H new ATOM 0 HB2 PRO A 27 -3.874 -47.425 -2.706 1.00 53.12 H new ATOM 0 HB3 PRO A 27 -2.959 -48.786 -2.089 1.00 53.12 H new ATOM 0 HG2 PRO A 27 -5.614 -48.780 -3.510 1.00 61.43 H new ATOM 0 HG3 PRO A 27 -4.249 -49.855 -3.734 1.00 61.43 H new ATOM 0 HD2 PRO A 27 -6.420 -50.593 -2.265 1.00 20.13 H new ATOM 0 HD3 PRO A 27 -4.813 -51.178 -1.881 1.00 20.13 H new ATOM 400 N ILE A 28 -5.508 -46.253 0.244 1.00 45.04 N ATOM 401 CA ILE A 28 -6.315 -45.047 0.375 1.00 41.52 C ATOM 402 C ILE A 28 -5.645 -43.859 -0.309 1.00 25.55 C ATOM 403 O ILE A 28 -4.426 -43.700 -0.243 1.00 32.43 O ATOM 404 CB ILE A 28 -6.569 -44.697 1.853 1.00 31.10 C ATOM 405 CG1 ILE A 28 -7.463 -43.460 1.961 1.00 42.11 C ATOM 406 CG2 ILE A 28 -5.251 -44.470 2.578 1.00 42.23 C ATOM 407 CD1 ILE A 28 -8.834 -43.650 1.352 1.00 72.24 C ATOM 0 H ILE A 28 -4.910 -46.450 1.047 1.00 45.04 H new ATOM 0 HA ILE A 28 -7.269 -45.252 -0.111 1.00 41.52 H new ATOM 0 HB ILE A 28 -7.082 -45.535 2.326 1.00 31.10 H new ATOM 0 HG12 ILE A 28 -7.575 -43.193 3.012 1.00 42.11 H new ATOM 0 HG13 ILE A 28 -6.969 -42.621 1.470 1.00 42.11 H new ATOM 0 HG21 ILE A 28 -5.447 -44.224 3.621 1.00 42.23 H new ATOM 0 HG22 ILE A 28 -4.647 -45.376 2.527 1.00 42.23 H new ATOM 0 HG23 ILE A 28 -4.713 -43.648 2.106 1.00 42.23 H new ATOM 0 HD11 ILE A 28 -9.413 -42.733 1.465 1.00 72.24 H new ATOM 0 HD12 ILE A 28 -8.732 -43.886 0.293 1.00 72.24 H new ATOM 0 HD13 ILE A 28 -9.347 -44.468 1.859 1.00 72.24 H new ATOM 419 N GLU A 29 -6.450 -43.028 -0.963 1.00 24.13 N ATOM 420 CA GLU A 29 -5.933 -41.854 -1.657 1.00 75.43 C ATOM 421 C GLU A 29 -6.201 -40.585 -0.853 1.00 61.25 C ATOM 422 O GLU A 29 -7.299 -40.388 -0.331 1.00 64.53 O ATOM 423 CB GLU A 29 -6.567 -41.736 -3.045 1.00 14.42 C ATOM 424 CG GLU A 29 -8.054 -41.425 -3.010 1.00 14.00 C ATOM 425 CD GLU A 29 -8.677 -41.398 -4.392 1.00 73.23 C ATOM 426 OE1 GLU A 29 -8.498 -40.388 -5.104 1.00 3.53 O ATOM 427 OE2 GLU A 29 -9.344 -42.387 -4.762 1.00 51.14 O ATOM 0 H GLU A 29 -7.461 -43.145 -1.027 1.00 24.13 H new ATOM 0 HA GLU A 29 -4.855 -41.972 -1.766 1.00 75.43 H new ATOM 0 HB2 GLU A 29 -6.054 -40.954 -3.604 1.00 14.42 H new ATOM 0 HB3 GLU A 29 -6.412 -42.669 -3.587 1.00 14.42 H new ATOM 0 HG2 GLU A 29 -8.563 -42.172 -2.401 1.00 14.00 H new ATOM 0 HG3 GLU A 29 -8.208 -40.460 -2.527 1.00 14.00 H new ATOM 434 N ILE A 30 -5.190 -39.728 -0.759 1.00 20.25 N ATOM 435 CA ILE A 30 -5.316 -38.478 -0.019 1.00 63.23 C ATOM 436 C ILE A 30 -4.900 -37.288 -0.877 1.00 25.00 C ATOM 437 O ILE A 30 -4.025 -37.387 -1.738 1.00 72.21 O ATOM 438 CB ILE A 30 -4.464 -38.495 1.264 1.00 42.23 C ATOM 439 CG1 ILE A 30 -3.592 -39.751 1.307 1.00 63.23 C ATOM 440 CG2 ILE A 30 -5.357 -38.421 2.493 1.00 2.03 C ATOM 441 CD1 ILE A 30 -2.562 -39.734 2.415 1.00 60.44 C ATOM 0 H ILE A 30 -4.275 -39.876 -1.185 1.00 20.25 H new ATOM 0 HA ILE A 30 -6.366 -38.377 0.254 1.00 63.23 H new ATOM 0 HB ILE A 30 -3.811 -37.623 1.260 1.00 42.23 H new ATOM 0 HG12 ILE A 30 -4.233 -40.624 1.431 1.00 63.23 H new ATOM 0 HG13 ILE A 30 -3.082 -39.863 0.350 1.00 63.23 H new ATOM 0 HG21 ILE A 30 -4.741 -38.434 3.392 1.00 2.03 H new ATOM 0 HG22 ILE A 30 -5.939 -37.500 2.465 1.00 2.03 H new ATOM 0 HG23 ILE A 30 -6.033 -39.276 2.504 1.00 2.03 H new ATOM 0 HD11 ILE A 30 -1.980 -40.655 2.385 1.00 60.44 H new ATOM 0 HD12 ILE A 30 -1.897 -38.881 2.281 1.00 60.44 H new ATOM 0 HD13 ILE A 30 -3.065 -39.654 3.378 1.00 60.44 H new ATOM 453 N PRO A 31 -5.538 -36.133 -0.637 1.00 35.42 N ATOM 454 CA PRO A 31 -5.250 -34.900 -1.375 1.00 62.52 C ATOM 455 C PRO A 31 -3.879 -34.327 -1.032 1.00 53.33 C ATOM 456 O PRO A 31 -3.643 -33.890 0.094 1.00 41.41 O ATOM 457 CB PRO A 31 -6.358 -33.947 -0.920 1.00 64.05 C ATOM 458 CG PRO A 31 -6.762 -34.449 0.422 1.00 31.35 C ATOM 459 CD PRO A 31 -6.592 -35.943 0.375 1.00 44.43 C ATOM 0 HA PRO A 31 -5.228 -35.065 -2.452 1.00 62.52 H new ATOM 0 HB2 PRO A 31 -5.999 -32.919 -0.867 1.00 64.05 H new ATOM 0 HB3 PRO A 31 -7.198 -33.956 -1.615 1.00 64.05 H new ATOM 0 HG2 PRO A 31 -6.143 -34.010 1.205 1.00 31.35 H new ATOM 0 HG3 PRO A 31 -7.795 -34.181 0.644 1.00 31.35 H new ATOM 0 HD2 PRO A 31 -6.296 -36.345 1.344 1.00 44.43 H new ATOM 0 HD3 PRO A 31 -7.517 -36.444 0.091 1.00 44.43 H new ATOM 467 N SER A 32 -2.979 -34.331 -2.011 1.00 14.05 N ATOM 468 CA SER A 32 -1.631 -33.814 -1.811 1.00 3.32 C ATOM 469 C SER A 32 -1.536 -32.357 -2.256 1.00 20.53 C ATOM 470 O SER A 32 -2.534 -31.750 -2.641 1.00 41.51 O ATOM 471 CB SER A 32 -0.617 -34.661 -2.582 1.00 31.41 C ATOM 472 OG SER A 32 -0.345 -34.099 -3.854 1.00 72.40 O ATOM 0 H SER A 32 -3.160 -34.687 -2.950 1.00 14.05 H new ATOM 0 HA SER A 32 -1.403 -33.867 -0.746 1.00 3.32 H new ATOM 0 HB2 SER A 32 0.307 -34.738 -2.010 1.00 31.41 H new ATOM 0 HB3 SER A 32 -1.002 -35.674 -2.703 1.00 31.41 H new ATOM 0 HG SER A 32 -1.147 -34.153 -4.414 1.00 72.40 H new ATOM 478 N GLU A 33 -0.328 -31.805 -2.199 1.00 30.22 N ATOM 479 CA GLU A 33 -0.103 -30.420 -2.595 1.00 63.10 C ATOM 480 C GLU A 33 0.247 -30.328 -4.077 1.00 63.35 C ATOM 481 O GLU A 33 0.469 -31.343 -4.738 1.00 20.41 O ATOM 482 CB GLU A 33 1.018 -29.802 -1.756 1.00 33.10 C ATOM 483 CG GLU A 33 0.540 -28.711 -0.812 1.00 65.30 C ATOM 484 CD GLU A 33 1.102 -27.348 -1.165 1.00 11.40 C ATOM 485 OE1 GLU A 33 2.170 -26.989 -0.627 1.00 24.33 O ATOM 486 OE2 GLU A 33 0.473 -26.639 -1.979 1.00 23.05 O ATOM 0 H GLU A 33 0.509 -32.295 -1.883 1.00 30.22 H new ATOM 0 HA GLU A 33 -1.025 -29.865 -2.422 1.00 63.10 H new ATOM 0 HB2 GLU A 33 1.501 -30.588 -1.175 1.00 33.10 H new ATOM 0 HB3 GLU A 33 1.774 -29.388 -2.423 1.00 33.10 H new ATOM 0 HG2 GLU A 33 -0.549 -28.668 -0.834 1.00 65.30 H new ATOM 0 HG3 GLU A 33 0.828 -28.966 0.208 1.00 65.30 H new ATOM 493 N ASP A 34 0.294 -29.105 -4.593 1.00 64.14 N ATOM 494 CA ASP A 34 0.618 -28.879 -5.997 1.00 73.34 C ATOM 495 C ASP A 34 2.091 -29.169 -6.269 1.00 54.22 C ATOM 496 O ASP A 34 2.448 -29.673 -7.334 1.00 2.11 O ATOM 497 CB ASP A 34 0.286 -27.440 -6.394 1.00 5.30 C ATOM 498 CG ASP A 34 -1.145 -27.285 -6.868 1.00 12.40 C ATOM 499 OD1 ASP A 34 -1.365 -27.263 -8.097 1.00 65.54 O ATOM 500 OD2 ASP A 34 -2.046 -27.185 -6.010 1.00 34.35 O ATOM 0 H ASP A 34 0.112 -28.255 -4.060 1.00 64.14 H new ATOM 0 HA ASP A 34 0.016 -29.561 -6.597 1.00 73.34 H new ATOM 0 HB2 ASP A 34 0.456 -26.783 -5.541 1.00 5.30 H new ATOM 0 HB3 ASP A 34 0.964 -27.119 -7.185 1.00 5.30 H new ATOM 505 N ASP A 35 2.940 -28.846 -5.300 1.00 42.24 N ATOM 506 CA ASP A 35 4.375 -29.071 -5.435 1.00 33.11 C ATOM 507 C ASP A 35 4.682 -30.560 -5.557 1.00 72.44 C ATOM 508 O ASP A 35 5.742 -30.948 -6.046 1.00 41.35 O ATOM 509 CB ASP A 35 5.120 -28.481 -4.237 1.00 12.04 C ATOM 510 CG ASP A 35 5.955 -27.272 -4.612 1.00 33.41 C ATOM 511 OD1 ASP A 35 5.877 -26.252 -3.896 1.00 55.45 O ATOM 512 OD2 ASP A 35 6.687 -27.348 -5.620 1.00 52.35 O ATOM 0 H ASP A 35 2.660 -28.428 -4.413 1.00 42.24 H new ATOM 0 HA ASP A 35 4.712 -28.573 -6.344 1.00 33.11 H new ATOM 0 HB2 ASP A 35 4.400 -28.198 -3.469 1.00 12.04 H new ATOM 0 HB3 ASP A 35 5.766 -29.244 -3.803 1.00 12.04 H new ATOM 517 N GLY A 36 3.746 -31.391 -5.108 1.00 60.54 N ATOM 518 CA GLY A 36 3.936 -32.829 -5.176 1.00 1.44 C ATOM 519 C GLY A 36 3.965 -33.474 -3.805 1.00 31.45 C ATOM 520 O GLY A 36 3.571 -34.630 -3.645 1.00 63.53 O ATOM 0 H GLY A 36 2.860 -31.095 -4.699 1.00 60.54 H new ATOM 0 HA2 GLY A 36 3.133 -33.271 -5.766 1.00 1.44 H new ATOM 0 HA3 GLY A 36 4.869 -33.045 -5.696 1.00 1.44 H new ATOM 524 N THR A 37 4.434 -32.727 -2.810 1.00 32.32 N ATOM 525 CA THR A 37 4.515 -33.234 -1.446 1.00 24.51 C ATOM 526 C THR A 37 3.129 -33.377 -0.828 1.00 40.33 C ATOM 527 O THR A 37 2.116 -33.232 -1.512 1.00 52.43 O ATOM 528 CB THR A 37 5.370 -32.314 -0.554 1.00 41.14 C ATOM 529 OG1 THR A 37 4.700 -31.064 -0.357 1.00 4.22 O ATOM 530 CG2 THR A 37 6.735 -32.070 -1.180 1.00 23.32 C ATOM 0 H THR A 37 4.764 -31.768 -2.924 1.00 32.32 H new ATOM 0 HA THR A 37 4.987 -34.215 -1.502 1.00 24.51 H new ATOM 0 HB THR A 37 5.512 -32.806 0.408 1.00 41.14 H new ATOM 0 HG1 THR A 37 5.353 -30.334 -0.392 1.00 4.22 H new ATOM 0 HG21 THR A 37 7.321 -31.418 -0.532 1.00 23.32 H new ATOM 0 HG22 THR A 37 7.254 -33.021 -1.303 1.00 23.32 H new ATOM 0 HG23 THR A 37 6.609 -31.597 -2.154 1.00 23.32 H new ATOM 538 N VAL A 38 3.091 -33.661 0.470 1.00 53.13 N ATOM 539 CA VAL A 38 1.828 -33.821 1.180 1.00 13.13 C ATOM 540 C VAL A 38 1.870 -33.129 2.538 1.00 15.30 C ATOM 541 O VAL A 38 2.831 -33.276 3.293 1.00 25.21 O ATOM 542 CB VAL A 38 1.483 -35.308 1.385 1.00 24.20 C ATOM 543 CG1 VAL A 38 0.285 -35.457 2.311 1.00 45.45 C ATOM 544 CG2 VAL A 38 1.221 -35.983 0.047 1.00 13.21 C ATOM 0 H VAL A 38 3.920 -33.785 1.051 1.00 53.13 H new ATOM 0 HA VAL A 38 1.058 -33.359 0.563 1.00 13.13 H new ATOM 0 HB VAL A 38 2.336 -35.799 1.853 1.00 24.20 H new ATOM 0 HG11 VAL A 38 0.057 -36.515 2.443 1.00 45.45 H new ATOM 0 HG12 VAL A 38 0.516 -35.012 3.279 1.00 45.45 H new ATOM 0 HG13 VAL A 38 -0.577 -34.952 1.875 1.00 45.45 H new ATOM 0 HG21 VAL A 38 0.979 -37.033 0.210 1.00 13.21 H new ATOM 0 HG22 VAL A 38 0.386 -35.491 -0.451 1.00 13.21 H new ATOM 0 HG23 VAL A 38 2.111 -35.909 -0.578 1.00 13.21 H new ATOM 554 N LEU A 39 0.820 -32.373 2.843 1.00 23.31 N ATOM 555 CA LEU A 39 0.736 -31.657 4.111 1.00 32.55 C ATOM 556 C LEU A 39 0.566 -32.629 5.275 1.00 72.21 C ATOM 557 O LEU A 39 -0.225 -33.571 5.201 1.00 42.21 O ATOM 558 CB LEU A 39 -0.430 -30.668 4.084 1.00 11.43 C ATOM 559 CG LEU A 39 -0.101 -29.231 4.492 1.00 64.11 C ATOM 560 CD1 LEU A 39 0.430 -29.189 5.917 1.00 53.24 C ATOM 561 CD2 LEU A 39 0.906 -28.621 3.528 1.00 42.23 C ATOM 0 H LEU A 39 0.016 -32.240 2.230 1.00 23.31 H new ATOM 0 HA LEU A 39 1.667 -31.108 4.253 1.00 32.55 H new ATOM 0 HB2 LEU A 39 -0.844 -30.652 3.076 1.00 11.43 H new ATOM 0 HB3 LEU A 39 -1.213 -31.042 4.744 1.00 11.43 H new ATOM 0 HG LEU A 39 -1.018 -28.642 4.450 1.00 64.11 H new ATOM 0 HD11 LEU A 39 0.659 -28.159 6.190 1.00 53.24 H new ATOM 0 HD12 LEU A 39 -0.323 -29.586 6.598 1.00 53.24 H new ATOM 0 HD13 LEU A 39 1.335 -29.792 5.986 1.00 53.24 H new ATOM 0 HD21 LEU A 39 1.129 -27.599 3.833 1.00 42.23 H new ATOM 0 HD22 LEU A 39 1.823 -29.211 3.538 1.00 42.23 H new ATOM 0 HD23 LEU A 39 0.489 -28.616 2.521 1.00 42.23 H new ATOM 573 N LEU A 40 1.311 -32.394 6.349 1.00 12.42 N ATOM 574 CA LEU A 40 1.241 -33.247 7.531 1.00 42.35 C ATOM 575 C LEU A 40 -0.205 -33.458 7.965 1.00 14.45 C ATOM 576 O LEU A 40 -0.601 -34.567 8.325 1.00 4.52 O ATOM 577 CB LEU A 40 2.046 -32.631 8.677 1.00 53.14 C ATOM 578 CG LEU A 40 2.331 -33.549 9.865 1.00 24.34 C ATOM 579 CD1 LEU A 40 1.078 -33.742 10.705 1.00 52.53 C ATOM 580 CD2 LEU A 40 2.866 -34.891 9.386 1.00 33.13 C ATOM 0 H LEU A 40 1.971 -31.620 6.426 1.00 12.42 H new ATOM 0 HA LEU A 40 1.669 -34.216 7.275 1.00 42.35 H new ATOM 0 HB2 LEU A 40 2.998 -32.280 8.278 1.00 53.14 H new ATOM 0 HB3 LEU A 40 1.510 -31.755 9.041 1.00 53.14 H new ATOM 0 HG LEU A 40 3.091 -33.078 10.488 1.00 24.34 H new ATOM 0 HD11 LEU A 40 1.301 -34.399 11.546 1.00 52.53 H new ATOM 0 HD12 LEU A 40 0.738 -32.776 11.079 1.00 52.53 H new ATOM 0 HD13 LEU A 40 0.295 -34.190 10.093 1.00 52.53 H new ATOM 0 HD21 LEU A 40 3.063 -35.532 10.245 1.00 33.13 H new ATOM 0 HD22 LEU A 40 2.128 -35.367 8.740 1.00 33.13 H new ATOM 0 HD23 LEU A 40 3.790 -34.736 8.829 1.00 33.13 H new ATOM 592 N SER A 41 -0.991 -32.386 7.928 1.00 75.42 N ATOM 593 CA SER A 41 -2.394 -32.454 8.320 1.00 55.44 C ATOM 594 C SER A 41 -3.124 -33.545 7.543 1.00 63.54 C ATOM 595 O SER A 41 -4.005 -34.221 8.075 1.00 12.33 O ATOM 596 CB SER A 41 -3.076 -31.104 8.087 1.00 72.04 C ATOM 597 OG SER A 41 -3.851 -30.723 9.210 1.00 31.32 O ATOM 0 H SER A 41 -0.680 -31.461 7.631 1.00 75.42 H new ATOM 0 HA SER A 41 -2.437 -32.698 9.382 1.00 55.44 H new ATOM 0 HB2 SER A 41 -2.323 -30.342 7.886 1.00 72.04 H new ATOM 0 HB3 SER A 41 -3.713 -31.163 7.205 1.00 72.04 H new ATOM 0 HG SER A 41 -4.275 -29.857 9.036 1.00 31.32 H new ATOM 603 N THR A 42 -2.750 -33.714 6.278 1.00 43.40 N ATOM 604 CA THR A 42 -3.368 -34.722 5.426 1.00 45.42 C ATOM 605 C THR A 42 -2.956 -36.127 5.849 1.00 3.11 C ATOM 606 O THR A 42 -3.747 -37.067 5.771 1.00 12.33 O ATOM 607 CB THR A 42 -2.993 -34.513 3.946 1.00 3.14 C ATOM 608 OG1 THR A 42 -3.288 -33.169 3.551 1.00 10.41 O ATOM 609 CG2 THR A 42 -3.748 -35.487 3.054 1.00 3.32 C ATOM 0 H THR A 42 -2.022 -33.165 5.821 1.00 43.40 H new ATOM 0 HA THR A 42 -4.447 -34.613 5.539 1.00 45.42 H new ATOM 0 HB THR A 42 -1.924 -34.697 3.835 1.00 3.14 H new ATOM 0 HG1 THR A 42 -3.045 -33.044 2.610 1.00 10.41 H new ATOM 0 HG21 THR A 42 -3.467 -35.321 2.014 1.00 3.32 H new ATOM 0 HG22 THR A 42 -3.498 -36.509 3.338 1.00 3.32 H new ATOM 0 HG23 THR A 42 -4.820 -35.330 3.170 1.00 3.32 H new ATOM 617 N VAL A 43 -1.712 -36.264 6.298 1.00 32.24 N ATOM 618 CA VAL A 43 -1.196 -37.555 6.736 1.00 24.42 C ATOM 619 C VAL A 43 -1.906 -38.032 7.998 1.00 30.21 C ATOM 620 O VAL A 43 -2.214 -39.216 8.142 1.00 52.14 O ATOM 621 CB VAL A 43 0.319 -37.491 7.006 1.00 24.53 C ATOM 622 CG1 VAL A 43 0.745 -38.620 7.933 1.00 32.01 C ATOM 623 CG2 VAL A 43 1.096 -37.543 5.699 1.00 12.31 C ATOM 0 H VAL A 43 -1.043 -35.497 6.368 1.00 32.24 H new ATOM 0 HA VAL A 43 -1.385 -38.262 5.928 1.00 24.42 H new ATOM 0 HB VAL A 43 0.542 -36.544 7.498 1.00 24.53 H new ATOM 0 HG11 VAL A 43 1.818 -38.558 8.112 1.00 32.01 H new ATOM 0 HG12 VAL A 43 0.213 -38.533 8.881 1.00 32.01 H new ATOM 0 HG13 VAL A 43 0.509 -39.579 7.471 1.00 32.01 H new ATOM 0 HG21 VAL A 43 2.165 -37.497 5.909 1.00 12.31 H new ATOM 0 HG22 VAL A 43 0.869 -38.473 5.177 1.00 12.31 H new ATOM 0 HG23 VAL A 43 0.812 -36.697 5.073 1.00 12.31 H new ATOM 633 N THR A 44 -2.165 -37.102 8.912 1.00 25.34 N ATOM 634 CA THR A 44 -2.838 -37.427 10.163 1.00 13.13 C ATOM 635 C THR A 44 -4.313 -37.733 9.930 1.00 14.51 C ATOM 636 O THR A 44 -4.929 -38.481 10.688 1.00 32.02 O ATOM 637 CB THR A 44 -2.719 -36.277 11.181 1.00 43.53 C ATOM 638 OG1 THR A 44 -3.285 -35.080 10.636 1.00 43.54 O ATOM 639 CG2 THR A 44 -1.264 -36.032 11.553 1.00 40.05 C ATOM 0 H THR A 44 -1.919 -36.118 8.809 1.00 25.34 H new ATOM 0 HA THR A 44 -2.345 -38.312 10.566 1.00 13.13 H new ATOM 0 HB THR A 44 -3.265 -36.560 12.081 1.00 43.53 H new ATOM 0 HG1 THR A 44 -3.458 -35.206 9.680 1.00 43.54 H new ATOM 0 HG21 THR A 44 -1.205 -35.216 12.273 1.00 40.05 H new ATOM 0 HG22 THR A 44 -0.844 -36.936 11.994 1.00 40.05 H new ATOM 0 HG23 THR A 44 -0.699 -35.769 10.659 1.00 40.05 H new ATOM 647 N ALA A 45 -4.874 -37.149 8.876 1.00 14.11 N ATOM 648 CA ALA A 45 -6.277 -37.362 8.542 1.00 51.43 C ATOM 649 C ALA A 45 -6.622 -38.847 8.541 1.00 52.00 C ATOM 650 O ALA A 45 -7.622 -39.261 9.127 1.00 2.24 O ATOM 651 CB ALA A 45 -6.597 -36.743 7.189 1.00 1.20 C ATOM 0 H ALA A 45 -4.379 -36.525 8.239 1.00 14.11 H new ATOM 0 HA ALA A 45 -6.884 -36.875 9.305 1.00 51.43 H new ATOM 0 HB1 ALA A 45 -7.648 -36.910 6.952 1.00 1.20 H new ATOM 0 HB2 ALA A 45 -6.398 -35.672 7.223 1.00 1.20 H new ATOM 0 HB3 ALA A 45 -5.975 -37.204 6.422 1.00 1.20 H new ATOM 657 N GLN A 46 -5.789 -39.643 7.879 1.00 50.04 N ATOM 658 CA GLN A 46 -6.008 -41.082 7.801 1.00 32.41 C ATOM 659 C GLN A 46 -5.030 -41.831 8.701 1.00 75.11 C ATOM 660 O GLN A 46 -5.363 -42.875 9.264 1.00 41.45 O ATOM 661 CB GLN A 46 -5.862 -41.565 6.357 1.00 53.22 C ATOM 662 CG GLN A 46 -6.294 -40.535 5.325 1.00 30.30 C ATOM 663 CD GLN A 46 -6.135 -41.033 3.902 1.00 45.20 C ATOM 664 OE1 GLN A 46 -7.033 -40.881 3.074 1.00 15.44 O ATOM 665 NE2 GLN A 46 -4.986 -41.632 3.609 1.00 11.32 N ATOM 0 H GLN A 46 -4.956 -39.316 7.389 1.00 50.04 H new ATOM 0 HA GLN A 46 -7.022 -41.288 8.145 1.00 32.41 H new ATOM 0 HB2 GLN A 46 -4.821 -41.834 6.176 1.00 53.22 H new ATOM 0 HB3 GLN A 46 -6.453 -42.471 6.224 1.00 53.22 H new ATOM 0 HG2 GLN A 46 -7.336 -40.268 5.498 1.00 30.30 H new ATOM 0 HG3 GLN A 46 -5.706 -39.626 5.456 1.00 30.30 H new ATOM 0 HE21 GLN A 46 -4.268 -41.737 4.326 1.00 11.32 H new ATOM 0 HE22 GLN A 46 -4.822 -41.987 2.667 1.00 11.32 H new ATOM 674 N PHE A 47 -3.823 -41.292 8.832 1.00 0.11 N ATOM 675 CA PHE A 47 -2.796 -41.910 9.663 1.00 41.24 C ATOM 676 C PHE A 47 -2.411 -40.995 10.822 1.00 64.04 C ATOM 677 O PHE A 47 -1.365 -40.345 10.812 1.00 61.34 O ATOM 678 CB PHE A 47 -1.559 -42.236 8.823 1.00 72.41 C ATOM 679 CG PHE A 47 -1.882 -42.646 7.414 1.00 31.25 C ATOM 680 CD1 PHE A 47 -2.838 -43.617 7.163 1.00 15.32 C ATOM 681 CD2 PHE A 47 -1.229 -42.061 6.342 1.00 62.13 C ATOM 682 CE1 PHE A 47 -3.138 -43.996 5.868 1.00 13.13 C ATOM 683 CE2 PHE A 47 -1.525 -42.436 5.045 1.00 43.12 C ATOM 684 CZ PHE A 47 -2.480 -43.405 4.808 1.00 64.33 C ATOM 0 H PHE A 47 -3.532 -40.429 8.374 1.00 0.11 H new ATOM 0 HA PHE A 47 -3.203 -42.835 10.073 1.00 41.24 H new ATOM 0 HB2 PHE A 47 -0.906 -41.364 8.798 1.00 72.41 H new ATOM 0 HB3 PHE A 47 -1.002 -43.038 9.307 1.00 72.41 H new ATOM 0 HD1 PHE A 47 -3.355 -44.083 7.989 1.00 15.32 H new ATOM 0 HD2 PHE A 47 -0.480 -41.304 6.521 1.00 62.13 H new ATOM 0 HE1 PHE A 47 -3.886 -44.753 5.686 1.00 13.13 H new ATOM 0 HE2 PHE A 47 -1.010 -41.971 4.217 1.00 43.12 H new ATOM 0 HZ PHE A 47 -2.712 -43.700 3.795 1.00 64.33 H new ATOM 694 N PRO A 48 -3.276 -40.942 11.845 1.00 5.33 N ATOM 695 CA PRO A 48 -3.048 -40.110 13.031 1.00 33.21 C ATOM 696 C PRO A 48 -1.906 -40.633 13.895 1.00 31.15 C ATOM 697 O PRO A 48 -1.864 -41.814 14.237 1.00 24.12 O ATOM 698 CB PRO A 48 -4.376 -40.201 13.787 1.00 10.35 C ATOM 699 CG PRO A 48 -4.973 -41.494 13.352 1.00 62.32 C ATOM 700 CD PRO A 48 -4.542 -41.689 11.924 1.00 23.44 C ATOM 0 HA PRO A 48 -2.761 -39.092 12.767 1.00 33.21 H new ATOM 0 HB2 PRO A 48 -4.219 -40.180 14.866 1.00 10.35 H new ATOM 0 HB3 PRO A 48 -5.028 -39.362 13.543 1.00 10.35 H new ATOM 0 HG2 PRO A 48 -4.626 -42.315 13.980 1.00 62.32 H new ATOM 0 HG3 PRO A 48 -6.060 -41.469 13.432 1.00 62.32 H new ATOM 0 HD2 PRO A 48 -4.402 -42.744 11.687 1.00 23.44 H new ATOM 0 HD3 PRO A 48 -5.282 -41.301 11.224 1.00 23.44 H new ATOM 708 N GLY A 49 -0.981 -39.745 14.247 1.00 40.25 N ATOM 709 CA GLY A 49 0.149 -40.136 15.069 1.00 61.24 C ATOM 710 C GLY A 49 1.353 -40.544 14.243 1.00 70.30 C ATOM 711 O GLY A 49 2.493 -40.414 14.688 1.00 14.25 O ATOM 0 H GLY A 49 -0.994 -38.761 13.977 1.00 40.25 H new ATOM 0 HA2 GLY A 49 0.424 -39.307 15.721 1.00 61.24 H new ATOM 0 HA3 GLY A 49 -0.144 -40.965 15.713 1.00 61.24 H new ATOM 715 N ALA A 50 1.100 -41.042 13.037 1.00 42.53 N ATOM 716 CA ALA A 50 2.172 -41.470 12.147 1.00 43.21 C ATOM 717 C ALA A 50 3.213 -40.369 11.972 1.00 62.20 C ATOM 718 O ALA A 50 2.972 -39.377 11.283 1.00 34.21 O ATOM 719 CB ALA A 50 1.605 -41.882 10.797 1.00 52.34 C ATOM 0 H ALA A 50 0.162 -41.159 12.654 1.00 42.53 H new ATOM 0 HA ALA A 50 2.664 -42.331 12.600 1.00 43.21 H new ATOM 0 HB1 ALA A 50 2.417 -42.199 10.143 1.00 52.34 H new ATOM 0 HB2 ALA A 50 0.905 -42.707 10.933 1.00 52.34 H new ATOM 0 HB3 ALA A 50 1.086 -41.036 10.347 1.00 52.34 H new ATOM 725 N CYS A 51 4.370 -40.550 12.600 1.00 72.35 N ATOM 726 CA CYS A 51 5.448 -39.571 12.514 1.00 35.01 C ATOM 727 C CYS A 51 6.177 -39.680 11.179 1.00 32.10 C ATOM 728 O CYS A 51 6.629 -38.680 10.624 1.00 65.03 O ATOM 729 CB CYS A 51 6.435 -39.767 13.666 1.00 53.52 C ATOM 730 SG CYS A 51 6.355 -38.479 14.933 1.00 32.31 S ATOM 0 H CYS A 51 4.585 -41.365 13.174 1.00 72.35 H new ATOM 0 HA CYS A 51 5.009 -38.576 12.586 1.00 35.01 H new ATOM 0 HB2 CYS A 51 6.245 -40.733 14.133 1.00 53.52 H new ATOM 0 HB3 CYS A 51 7.447 -39.802 13.262 1.00 53.52 H new ATOM 0 HG CYS A 51 7.224 -38.733 15.865 1.00 32.31 H new ATOM 736 N GLY A 52 6.288 -40.903 10.669 1.00 22.25 N ATOM 737 CA GLY A 52 6.965 -41.121 9.404 1.00 2.05 C ATOM 738 C GLY A 52 6.386 -42.289 8.630 1.00 2.45 C ATOM 739 O GLY A 52 5.900 -43.255 9.221 1.00 43.55 O ATOM 0 H GLY A 52 5.921 -41.747 11.109 1.00 22.25 H new ATOM 0 HA2 GLY A 52 6.896 -40.218 8.798 1.00 2.05 H new ATOM 0 HA3 GLY A 52 8.024 -41.301 9.589 1.00 2.05 H new ATOM 743 N LEU A 53 6.436 -42.201 7.306 1.00 53.11 N ATOM 744 CA LEU A 53 5.910 -43.258 6.449 1.00 63.20 C ATOM 745 C LEU A 53 7.030 -43.919 5.650 1.00 14.45 C ATOM 746 O LEU A 53 7.962 -43.252 5.202 1.00 43.12 O ATOM 747 CB LEU A 53 4.854 -42.693 5.497 1.00 5.03 C ATOM 748 CG LEU A 53 3.828 -41.745 6.120 1.00 64.43 C ATOM 749 CD1 LEU A 53 3.428 -42.227 7.506 1.00 65.35 C ATOM 750 CD2 LEU A 53 4.381 -40.329 6.184 1.00 11.04 C ATOM 0 H LEU A 53 6.835 -41.409 6.802 1.00 53.11 H new ATOM 0 HA LEU A 53 5.449 -44.012 7.086 1.00 63.20 H new ATOM 0 HB2 LEU A 53 5.365 -42.165 4.692 1.00 5.03 H new ATOM 0 HB3 LEU A 53 4.319 -43.527 5.043 1.00 5.03 H new ATOM 0 HG LEU A 53 2.938 -41.738 5.490 1.00 64.43 H new ATOM 0 HD11 LEU A 53 2.698 -41.540 7.933 1.00 65.35 H new ATOM 0 HD12 LEU A 53 2.990 -43.223 7.433 1.00 65.35 H new ATOM 0 HD13 LEU A 53 4.309 -42.264 8.147 1.00 65.35 H new ATOM 0 HD21 LEU A 53 3.638 -39.668 6.630 1.00 11.04 H new ATOM 0 HD22 LEU A 53 5.286 -40.319 6.791 1.00 11.04 H new ATOM 0 HD23 LEU A 53 4.616 -39.984 5.177 1.00 11.04 H new ATOM 762 N ARG A 54 6.929 -45.232 5.475 1.00 20.24 N ATOM 763 CA ARG A 54 7.932 -45.983 4.730 1.00 43.30 C ATOM 764 C ARG A 54 7.399 -46.392 3.360 1.00 14.13 C ATOM 765 O ARG A 54 6.195 -46.328 3.107 1.00 4.12 O ATOM 766 CB ARG A 54 8.359 -47.225 5.515 1.00 55.40 C ATOM 767 CG ARG A 54 9.857 -47.479 5.485 1.00 33.44 C ATOM 768 CD ARG A 54 10.519 -47.057 6.787 1.00 3.03 C ATOM 769 NE ARG A 54 10.951 -45.662 6.754 1.00 21.23 N ATOM 770 CZ ARG A 54 11.775 -45.127 7.648 1.00 45.22 C ATOM 771 NH1 ARG A 54 12.255 -45.866 8.639 1.00 51.32 N ATOM 772 NH2 ARG A 54 12.122 -43.850 7.551 1.00 43.33 N ATOM 0 H ARG A 54 6.163 -45.798 5.839 1.00 20.24 H new ATOM 0 HA ARG A 54 8.799 -45.338 4.586 1.00 43.30 H new ATOM 0 HB2 ARG A 54 8.038 -47.118 6.551 1.00 55.40 H new ATOM 0 HB3 ARG A 54 7.843 -48.096 5.110 1.00 55.40 H new ATOM 0 HG2 ARG A 54 10.044 -48.538 5.307 1.00 33.44 H new ATOM 0 HG3 ARG A 54 10.303 -46.932 4.654 1.00 33.44 H new ATOM 0 HD2 ARG A 54 9.821 -47.201 7.612 1.00 3.03 H new ATOM 0 HD3 ARG A 54 11.379 -47.698 6.981 1.00 3.03 H new ATOM 0 HE ARG A 54 10.601 -45.066 6.004 1.00 21.23 H new ATOM 0 HH11 ARG A 54 11.992 -46.848 8.716 1.00 51.32 H new ATOM 0 HH12 ARG A 54 12.888 -45.452 9.324 1.00 51.32 H new ATOM 0 HH21 ARG A 54 11.756 -43.278 6.790 1.00 43.33 H new ATOM 0 HH22 ARG A 54 12.755 -43.440 8.238 1.00 43.33 H new ATOM 786 N TYR A 55 8.301 -46.811 2.481 1.00 63.43 N ATOM 787 CA TYR A 55 7.922 -47.228 1.136 1.00 60.10 C ATOM 788 C TYR A 55 7.937 -48.749 1.012 1.00 11.43 C ATOM 789 O TYR A 55 8.926 -49.400 1.347 1.00 23.20 O ATOM 790 CB TYR A 55 8.867 -46.612 0.103 1.00 70.01 C ATOM 791 CG TYR A 55 8.186 -45.648 -0.842 1.00 12.44 C ATOM 792 CD1 TYR A 55 7.172 -46.075 -1.690 1.00 34.12 C ATOM 793 CD2 TYR A 55 8.557 -44.310 -0.887 1.00 11.53 C ATOM 794 CE1 TYR A 55 6.547 -45.198 -2.555 1.00 13.20 C ATOM 795 CE2 TYR A 55 7.937 -43.425 -1.748 1.00 14.14 C ATOM 796 CZ TYR A 55 6.932 -43.874 -2.580 1.00 4.22 C ATOM 797 OH TYR A 55 6.313 -42.996 -3.440 1.00 21.02 O ATOM 0 H TYR A 55 9.301 -46.871 2.675 1.00 63.43 H new ATOM 0 HA TYR A 55 6.908 -46.876 0.947 1.00 60.10 H new ATOM 0 HB2 TYR A 55 9.671 -46.091 0.623 1.00 70.01 H new ATOM 0 HB3 TYR A 55 9.328 -47.411 -0.477 1.00 70.01 H new ATOM 0 HD1 TYR A 55 6.867 -47.111 -1.673 1.00 34.12 H new ATOM 0 HD2 TYR A 55 9.344 -43.955 -0.238 1.00 11.53 H new ATOM 0 HE1 TYR A 55 5.761 -45.547 -3.208 1.00 13.20 H new ATOM 0 HE2 TYR A 55 8.237 -42.388 -1.770 1.00 14.14 H new ATOM 0 HH TYR A 55 5.458 -43.374 -3.734 1.00 21.02 H new ATOM 807 N ARG A 56 6.832 -49.307 0.528 1.00 22.14 N ATOM 808 CA ARG A 56 6.717 -50.751 0.360 1.00 15.33 C ATOM 809 C ARG A 56 6.267 -51.099 -1.056 1.00 15.15 C ATOM 810 O ARG A 56 5.081 -51.026 -1.376 1.00 20.20 O ATOM 811 CB ARG A 56 5.729 -51.326 1.377 1.00 71.41 C ATOM 812 CG ARG A 56 5.196 -52.698 0.998 1.00 35.43 C ATOM 813 CD ARG A 56 6.325 -53.674 0.707 1.00 71.20 C ATOM 814 NE ARG A 56 5.830 -54.942 0.176 1.00 11.45 N ATOM 815 CZ ARG A 56 6.512 -56.080 0.237 1.00 51.03 C ATOM 816 NH1 ARG A 56 7.711 -56.109 0.802 1.00 71.22 N ATOM 817 NH2 ARG A 56 5.994 -57.192 -0.268 1.00 63.45 N ATOM 0 H ARG A 56 6.004 -48.782 0.246 1.00 22.14 H new ATOM 0 HA ARG A 56 7.700 -51.192 0.529 1.00 15.33 H new ATOM 0 HB2 ARG A 56 6.218 -51.391 2.349 1.00 71.41 H new ATOM 0 HB3 ARG A 56 4.891 -50.637 1.487 1.00 71.41 H new ATOM 0 HG2 ARG A 56 4.578 -53.086 1.808 1.00 35.43 H new ATOM 0 HG3 ARG A 56 4.554 -52.611 0.121 1.00 35.43 H new ATOM 0 HD2 ARG A 56 7.016 -53.227 -0.008 1.00 71.20 H new ATOM 0 HD3 ARG A 56 6.889 -53.859 1.621 1.00 71.20 H new ATOM 0 HE ARG A 56 4.911 -54.954 -0.266 1.00 11.45 H new ATOM 0 HH11 ARG A 56 8.112 -55.256 1.191 1.00 71.22 H new ATOM 0 HH12 ARG A 56 8.232 -56.985 0.847 1.00 71.22 H new ATOM 0 HH21 ARG A 56 5.072 -57.173 -0.703 1.00 63.45 H new ATOM 0 HH22 ARG A 56 6.518 -58.066 -0.221 1.00 63.45 H new ATOM 831 N ASN A 57 7.222 -51.477 -1.899 1.00 1.44 N ATOM 832 CA ASN A 57 6.924 -51.835 -3.281 1.00 3.15 C ATOM 833 C ASN A 57 7.219 -53.310 -3.536 1.00 1.13 C ATOM 834 O ASN A 57 8.246 -53.845 -3.117 1.00 12.11 O ATOM 835 CB ASN A 57 7.739 -50.967 -4.241 1.00 42.23 C ATOM 836 CG ASN A 57 7.080 -49.628 -4.511 1.00 43.21 C ATOM 837 OD1 ASN A 57 7.195 -48.695 -3.715 1.00 63.45 O ATOM 838 ND2 ASN A 57 6.385 -49.527 -5.638 1.00 32.12 N ATOM 0 H ASN A 57 8.209 -51.543 -1.650 1.00 1.44 H new ATOM 0 HA ASN A 57 5.862 -51.660 -3.455 1.00 3.15 H new ATOM 0 HB2 ASN A 57 8.732 -50.802 -3.823 1.00 42.23 H new ATOM 0 HB3 ASN A 57 7.873 -51.499 -5.183 1.00 42.23 H new ATOM 0 HD21 ASN A 57 5.920 -48.650 -5.873 1.00 32.12 H new ATOM 0 HD22 ASN A 57 6.317 -50.326 -6.268 1.00 32.12 H new ATOM 845 N PRO A 58 6.298 -53.984 -4.240 1.00 31.21 N ATOM 846 CA PRO A 58 6.437 -55.406 -4.568 1.00 60.11 C ATOM 847 C PRO A 58 7.544 -55.661 -5.586 1.00 14.41 C ATOM 848 O PRO A 58 8.359 -56.568 -5.418 1.00 12.31 O ATOM 849 CB PRO A 58 5.073 -55.769 -5.160 1.00 14.33 C ATOM 850 CG PRO A 58 4.536 -54.484 -5.689 1.00 52.13 C ATOM 851 CD PRO A 58 5.050 -53.410 -4.771 1.00 30.24 C ATOM 0 HA PRO A 58 6.710 -56.000 -3.696 1.00 60.11 H new ATOM 0 HB2 PRO A 58 5.170 -56.513 -5.951 1.00 14.33 H new ATOM 0 HB3 PRO A 58 4.413 -56.192 -4.403 1.00 14.33 H new ATOM 0 HG2 PRO A 58 4.869 -54.314 -6.713 1.00 52.13 H new ATOM 0 HG3 PRO A 58 3.446 -54.494 -5.706 1.00 52.13 H new ATOM 0 HD2 PRO A 58 5.232 -52.478 -5.306 1.00 30.24 H new ATOM 0 HD3 PRO A 58 4.339 -53.188 -3.975 1.00 30.24 H new ATOM 859 N VAL A 59 7.567 -54.854 -6.642 1.00 51.12 N ATOM 860 CA VAL A 59 8.575 -54.991 -7.687 1.00 12.13 C ATOM 861 C VAL A 59 9.897 -54.364 -7.260 1.00 24.43 C ATOM 862 O VAL A 59 10.967 -54.794 -7.691 1.00 44.53 O ATOM 863 CB VAL A 59 8.112 -54.339 -9.003 1.00 15.52 C ATOM 864 CG1 VAL A 59 6.883 -55.050 -9.548 1.00 60.44 C ATOM 865 CG2 VAL A 59 7.831 -52.858 -8.793 1.00 72.21 C ATOM 0 H VAL A 59 6.899 -54.099 -6.797 1.00 51.12 H new ATOM 0 HA VAL A 59 8.718 -56.059 -7.850 1.00 12.13 H new ATOM 0 HB VAL A 59 8.913 -54.434 -9.737 1.00 15.52 H new ATOM 0 HG11 VAL A 59 6.571 -54.575 -10.478 1.00 60.44 H new ATOM 0 HG12 VAL A 59 7.122 -56.096 -9.737 1.00 60.44 H new ATOM 0 HG13 VAL A 59 6.074 -54.989 -8.820 1.00 60.44 H new ATOM 0 HG21 VAL A 59 7.505 -52.413 -9.733 1.00 72.21 H new ATOM 0 HG22 VAL A 59 7.048 -52.739 -8.044 1.00 72.21 H new ATOM 0 HG23 VAL A 59 8.739 -52.360 -8.451 1.00 72.21 H new ATOM 875 N SER A 60 9.816 -53.347 -6.408 1.00 44.24 N ATOM 876 CA SER A 60 11.007 -52.658 -5.925 1.00 22.12 C ATOM 877 C SER A 60 11.638 -53.416 -4.761 1.00 30.14 C ATOM 878 O SER A 60 12.849 -53.356 -4.551 1.00 62.03 O ATOM 879 CB SER A 60 10.657 -51.233 -5.491 1.00 23.43 C ATOM 880 OG SER A 60 11.653 -50.315 -5.907 1.00 13.43 O ATOM 0 H SER A 60 8.938 -52.982 -6.038 1.00 44.24 H new ATOM 0 HA SER A 60 11.728 -52.615 -6.741 1.00 22.12 H new ATOM 0 HB2 SER A 60 9.694 -50.947 -5.914 1.00 23.43 H new ATOM 0 HB3 SER A 60 10.553 -51.195 -4.407 1.00 23.43 H new ATOM 0 HG SER A 60 11.406 -49.411 -5.619 1.00 13.43 H new ATOM 886 N GLN A 61 10.807 -54.129 -4.007 1.00 13.51 N ATOM 887 CA GLN A 61 11.282 -54.898 -2.863 1.00 45.13 C ATOM 888 C GLN A 61 11.861 -53.979 -1.792 1.00 33.42 C ATOM 889 O GLN A 61 12.826 -54.332 -1.113 1.00 35.45 O ATOM 890 CB GLN A 61 12.339 -55.911 -3.307 1.00 73.33 C ATOM 891 CG GLN A 61 11.948 -56.691 -4.553 1.00 3.24 C ATOM 892 CD GLN A 61 12.078 -58.190 -4.367 1.00 52.13 C ATOM 893 OE1 GLN A 61 11.157 -58.947 -4.674 1.00 55.14 O ATOM 894 NE2 GLN A 61 13.226 -58.627 -3.863 1.00 34.24 N ATOM 0 H GLN A 61 9.802 -54.190 -4.168 1.00 13.51 H new ATOM 0 HA GLN A 61 10.432 -55.432 -2.438 1.00 45.13 H new ATOM 0 HB2 GLN A 61 13.276 -55.387 -3.495 1.00 73.33 H new ATOM 0 HB3 GLN A 61 12.524 -56.612 -2.493 1.00 73.33 H new ATOM 0 HG2 GLN A 61 10.919 -56.450 -4.820 1.00 3.24 H new ATOM 0 HG3 GLN A 61 12.576 -56.376 -5.386 1.00 3.24 H new ATOM 0 HE21 GLN A 61 13.963 -57.964 -3.623 1.00 34.24 H new ATOM 0 HE22 GLN A 61 13.371 -59.626 -3.716 1.00 34.24 H new ATOM 903 N CYS A 62 11.266 -52.801 -1.646 1.00 52.34 N ATOM 904 CA CYS A 62 11.723 -51.830 -0.658 1.00 32.42 C ATOM 905 C CYS A 62 13.124 -51.330 -0.995 1.00 15.43 C ATOM 906 O CYS A 62 13.930 -52.056 -1.575 1.00 0.31 O ATOM 907 CB CYS A 62 11.712 -52.452 0.740 1.00 45.53 C ATOM 908 SG CYS A 62 11.383 -51.272 2.070 1.00 53.35 S ATOM 0 H CYS A 62 10.466 -52.495 -2.199 1.00 52.34 H new ATOM 0 HA CYS A 62 11.040 -50.980 -0.676 1.00 32.42 H new ATOM 0 HB2 CYS A 62 10.957 -53.238 0.771 1.00 45.53 H new ATOM 0 HB3 CYS A 62 12.675 -52.929 0.922 1.00 45.53 H new ATOM 0 HG CYS A 62 10.388 -50.506 1.734 1.00 53.35 H new ATOM 914 N MET A 63 13.405 -50.083 -0.628 1.00 72.50 N ATOM 915 CA MET A 63 14.708 -49.485 -0.892 1.00 64.51 C ATOM 916 C MET A 63 14.766 -48.054 -0.369 1.00 12.23 C ATOM 917 O MET A 63 15.748 -47.650 0.255 1.00 53.15 O ATOM 918 CB MET A 63 15.008 -49.505 -2.392 1.00 52.23 C ATOM 919 CG MET A 63 16.275 -50.264 -2.749 1.00 61.53 C ATOM 920 SD MET A 63 17.650 -49.170 -3.155 1.00 33.51 S ATOM 921 CE MET A 63 18.896 -50.360 -3.645 1.00 71.01 C ATOM 0 H MET A 63 12.748 -49.468 -0.147 1.00 72.50 H new ATOM 0 HA MET A 63 15.462 -50.074 -0.370 1.00 64.51 H new ATOM 0 HB2 MET A 63 14.165 -49.955 -2.917 1.00 52.23 H new ATOM 0 HB3 MET A 63 15.096 -48.479 -2.750 1.00 52.23 H new ATOM 0 HG2 MET A 63 16.559 -50.903 -1.913 1.00 61.53 H new ATOM 0 HG3 MET A 63 16.075 -50.919 -3.597 1.00 61.53 H new ATOM 0 HE1 MET A 63 19.809 -49.836 -3.926 1.00 71.01 H new ATOM 0 HE2 MET A 63 19.105 -51.032 -2.812 1.00 71.01 H new ATOM 0 HE3 MET A 63 18.533 -50.938 -4.495 1.00 71.01 H new ATOM 931 N ARG A 64 13.708 -47.291 -0.626 1.00 61.52 N ATOM 932 CA ARG A 64 13.640 -45.905 -0.182 1.00 53.52 C ATOM 933 C ARG A 64 12.486 -45.703 0.797 1.00 65.34 C ATOM 934 O ARG A 64 11.802 -46.655 1.169 1.00 31.13 O ATOM 935 CB ARG A 64 13.473 -44.970 -1.382 1.00 23.20 C ATOM 936 CG ARG A 64 12.443 -45.451 -2.390 1.00 72.44 C ATOM 937 CD ARG A 64 11.649 -44.292 -2.972 1.00 34.24 C ATOM 938 NE ARG A 64 11.728 -44.251 -4.429 1.00 52.13 N ATOM 939 CZ ARG A 64 11.053 -45.073 -5.226 1.00 4.15 C ATOM 940 NH1 ARG A 64 10.254 -45.995 -4.708 1.00 33.03 N ATOM 941 NH2 ARG A 64 11.178 -44.973 -6.543 1.00 31.22 N ATOM 0 H ARG A 64 12.887 -47.610 -1.140 1.00 61.52 H new ATOM 0 HA ARG A 64 14.573 -45.668 0.329 1.00 53.52 H new ATOM 0 HB2 ARG A 64 13.185 -43.982 -1.024 1.00 23.20 H new ATOM 0 HB3 ARG A 64 14.435 -44.860 -1.883 1.00 23.20 H new ATOM 0 HG2 ARG A 64 12.944 -45.990 -3.194 1.00 72.44 H new ATOM 0 HG3 ARG A 64 11.763 -46.154 -1.909 1.00 72.44 H new ATOM 0 HD2 ARG A 64 10.606 -44.379 -2.668 1.00 34.24 H new ATOM 0 HD3 ARG A 64 12.024 -43.354 -2.562 1.00 34.24 H new ATOM 0 HE ARG A 64 12.335 -43.553 -4.859 1.00 52.13 H new ATOM 0 HH11 ARG A 64 10.156 -46.075 -3.696 1.00 33.03 H new ATOM 0 HH12 ARG A 64 9.737 -46.625 -5.322 1.00 33.03 H new ATOM 0 HH21 ARG A 64 11.793 -44.265 -6.945 1.00 31.22 H new ATOM 0 HH22 ARG A 64 10.660 -45.604 -7.154 1.00 31.22 H new ATOM 955 N GLY A 65 12.278 -44.457 1.210 1.00 40.33 N ATOM 956 CA GLY A 65 11.208 -44.153 2.142 1.00 71.33 C ATOM 957 C GLY A 65 10.696 -42.734 1.994 1.00 33.24 C ATOM 958 O GLY A 65 11.466 -41.813 1.724 1.00 25.12 O ATOM 0 H GLY A 65 12.831 -43.652 0.916 1.00 40.33 H new ATOM 0 HA2 GLY A 65 10.385 -44.851 1.986 1.00 71.33 H new ATOM 0 HA3 GLY A 65 11.564 -44.303 3.161 1.00 71.33 H new ATOM 962 N VAL A 66 9.390 -42.557 2.171 1.00 41.44 N ATOM 963 CA VAL A 66 8.775 -41.240 2.055 1.00 4.41 C ATOM 964 C VAL A 66 9.513 -40.212 2.906 1.00 64.03 C ATOM 965 O VAL A 66 9.496 -40.281 4.135 1.00 54.33 O ATOM 966 CB VAL A 66 7.295 -41.272 2.479 1.00 72.24 C ATOM 967 CG1 VAL A 66 6.692 -39.877 2.420 1.00 74.11 C ATOM 968 CG2 VAL A 66 6.512 -42.238 1.602 1.00 34.03 C ATOM 0 H VAL A 66 8.738 -43.309 2.395 1.00 41.44 H new ATOM 0 HA VAL A 66 8.839 -40.953 1.005 1.00 4.41 H new ATOM 0 HB VAL A 66 7.237 -41.623 3.509 1.00 72.24 H new ATOM 0 HG11 VAL A 66 5.646 -39.920 2.723 1.00 74.11 H new ATOM 0 HG12 VAL A 66 7.238 -39.216 3.093 1.00 74.11 H new ATOM 0 HG13 VAL A 66 6.759 -39.494 1.402 1.00 74.11 H new ATOM 0 HG21 VAL A 66 5.468 -42.249 1.915 1.00 34.03 H new ATOM 0 HG22 VAL A 66 6.576 -41.919 0.562 1.00 34.03 H new ATOM 0 HG23 VAL A 66 6.931 -43.240 1.700 1.00 34.03 H new ATOM 978 N ARG A 67 10.162 -39.259 2.243 1.00 34.53 N ATOM 979 CA ARG A 67 10.907 -38.217 2.939 1.00 70.24 C ATOM 980 C ARG A 67 9.964 -37.288 3.697 1.00 34.45 C ATOM 981 O ARG A 67 8.882 -36.954 3.213 1.00 53.20 O ATOM 982 CB ARG A 67 11.744 -37.410 1.945 1.00 64.11 C ATOM 983 CG ARG A 67 12.451 -36.218 2.570 1.00 34.33 C ATOM 984 CD ARG A 67 13.507 -36.659 3.571 1.00 20.23 C ATOM 985 NE ARG A 67 13.534 -35.801 4.753 1.00 50.25 N ATOM 986 CZ ARG A 67 14.551 -35.756 5.606 1.00 62.43 C ATOM 987 NH1 ARG A 67 15.619 -36.517 5.409 1.00 21.23 N ATOM 988 NH2 ARG A 67 14.502 -34.949 6.658 1.00 74.23 N ATOM 0 H ARG A 67 10.187 -39.188 1.226 1.00 34.53 H new ATOM 0 HA ARG A 67 11.571 -38.698 3.658 1.00 70.24 H new ATOM 0 HB2 ARG A 67 12.487 -38.066 1.492 1.00 64.11 H new ATOM 0 HB3 ARG A 67 11.098 -37.058 1.141 1.00 64.11 H new ATOM 0 HG2 ARG A 67 12.917 -35.619 1.788 1.00 34.33 H new ATOM 0 HG3 ARG A 67 11.720 -35.580 3.067 1.00 34.33 H new ATOM 0 HD2 ARG A 67 13.312 -37.688 3.874 1.00 20.23 H new ATOM 0 HD3 ARG A 67 14.486 -36.648 3.093 1.00 20.23 H new ATOM 0 HE ARG A 67 12.727 -35.203 4.933 1.00 50.25 H new ATOM 0 HH11 ARG A 67 15.660 -37.138 4.601 1.00 21.23 H new ATOM 0 HH12 ARG A 67 16.399 -36.481 6.065 1.00 21.23 H new ATOM 0 HH21 ARG A 67 13.682 -34.362 6.813 1.00 74.23 H new ATOM 0 HH22 ARG A 67 15.284 -34.916 7.312 1.00 74.23 H new ATOM 1002 N LEU A 68 10.380 -36.876 4.889 1.00 4.34 N ATOM 1003 CA LEU A 68 9.573 -35.986 5.716 1.00 12.33 C ATOM 1004 C LEU A 68 10.377 -34.763 6.147 1.00 61.15 C ATOM 1005 O LEU A 68 11.411 -34.887 6.803 1.00 42.30 O ATOM 1006 CB LEU A 68 9.057 -36.731 6.949 1.00 41.42 C ATOM 1007 CG LEU A 68 8.299 -35.887 7.974 1.00 34.12 C ATOM 1008 CD1 LEU A 68 9.268 -35.207 8.928 1.00 44.21 C ATOM 1009 CD2 LEU A 68 7.424 -34.857 7.275 1.00 10.30 C ATOM 0 H LEU A 68 11.272 -37.144 5.305 1.00 4.34 H new ATOM 0 HA LEU A 68 8.724 -35.649 5.121 1.00 12.33 H new ATOM 0 HB2 LEU A 68 8.402 -37.536 6.615 1.00 41.42 H new ATOM 0 HB3 LEU A 68 9.906 -37.198 7.449 1.00 41.42 H new ATOM 0 HG LEU A 68 7.655 -36.548 8.554 1.00 34.12 H new ATOM 0 HD11 LEU A 68 8.710 -34.611 9.650 1.00 44.21 H new ATOM 0 HD12 LEU A 68 9.851 -35.963 9.455 1.00 44.21 H new ATOM 0 HD13 LEU A 68 9.939 -34.559 8.364 1.00 44.21 H new ATOM 0 HD21 LEU A 68 6.892 -34.266 8.020 1.00 10.30 H new ATOM 0 HD22 LEU A 68 8.048 -34.201 6.669 1.00 10.30 H new ATOM 0 HD23 LEU A 68 6.704 -35.366 6.634 1.00 10.30 H new ATOM 1021 N VAL A 69 9.894 -33.582 5.774 1.00 70.11 N ATOM 1022 CA VAL A 69 10.566 -32.336 6.124 1.00 72.42 C ATOM 1023 C VAL A 69 9.563 -31.276 6.563 1.00 12.33 C ATOM 1024 O VAL A 69 8.672 -30.897 5.803 1.00 24.21 O ATOM 1025 CB VAL A 69 11.388 -31.791 4.941 1.00 2.23 C ATOM 1026 CG1 VAL A 69 10.540 -31.738 3.680 1.00 13.50 C ATOM 1027 CG2 VAL A 69 11.951 -30.417 5.273 1.00 24.23 C ATOM 0 H VAL A 69 9.040 -33.462 5.230 1.00 70.11 H new ATOM 0 HA VAL A 69 11.239 -32.560 6.952 1.00 72.42 H new ATOM 0 HB VAL A 69 12.223 -32.467 4.759 1.00 2.23 H new ATOM 0 HG11 VAL A 69 11.138 -31.350 2.855 1.00 13.50 H new ATOM 0 HG12 VAL A 69 10.190 -32.741 3.434 1.00 13.50 H new ATOM 0 HG13 VAL A 69 9.683 -31.085 3.845 1.00 13.50 H new ATOM 0 HG21 VAL A 69 12.529 -30.046 4.427 1.00 24.23 H new ATOM 0 HG22 VAL A 69 11.132 -29.729 5.482 1.00 24.23 H new ATOM 0 HG23 VAL A 69 12.596 -30.490 6.149 1.00 24.23 H new ATOM 1037 N GLU A 70 9.714 -30.800 7.795 1.00 4.04 N ATOM 1038 CA GLU A 70 8.821 -29.782 8.336 1.00 73.40 C ATOM 1039 C GLU A 70 7.384 -30.293 8.388 1.00 14.15 C ATOM 1040 O GLU A 70 6.434 -29.514 8.323 1.00 12.34 O ATOM 1041 CB GLU A 70 8.891 -28.509 7.490 1.00 33.23 C ATOM 1042 CG GLU A 70 10.309 -28.047 7.202 1.00 62.43 C ATOM 1043 CD GLU A 70 10.561 -26.621 7.650 1.00 52.33 C ATOM 1044 OE1 GLU A 70 10.857 -25.771 6.784 1.00 65.24 O ATOM 1045 OE2 GLU A 70 10.461 -26.354 8.865 1.00 5.24 O ATOM 0 H GLU A 70 10.446 -31.103 8.437 1.00 4.04 H new ATOM 0 HA GLU A 70 9.145 -29.553 9.351 1.00 73.40 H new ATOM 0 HB2 GLU A 70 8.375 -28.682 6.545 1.00 33.23 H new ATOM 0 HB3 GLU A 70 8.355 -27.711 8.004 1.00 33.23 H new ATOM 0 HG2 GLU A 70 11.012 -28.711 7.704 1.00 62.43 H new ATOM 0 HG3 GLU A 70 10.503 -28.127 6.132 1.00 62.43 H new ATOM 1052 N GLY A 71 7.233 -31.609 8.506 1.00 11.33 N ATOM 1053 CA GLY A 71 5.910 -32.202 8.565 1.00 54.42 C ATOM 1054 C GLY A 71 5.370 -32.552 7.192 1.00 21.13 C ATOM 1055 O GLY A 71 4.546 -33.456 7.055 1.00 73.44 O ATOM 0 H GLY A 71 8.004 -32.275 8.562 1.00 11.33 H new ATOM 0 HA2 GLY A 71 5.946 -33.102 9.178 1.00 54.42 H new ATOM 0 HA3 GLY A 71 5.226 -31.509 9.055 1.00 54.42 H new ATOM 1059 N ILE A 72 5.834 -31.834 6.175 1.00 62.40 N ATOM 1060 CA ILE A 72 5.392 -32.074 4.807 1.00 62.51 C ATOM 1061 C ILE A 72 6.095 -33.288 4.207 1.00 1.40 C ATOM 1062 O ILE A 72 7.308 -33.272 3.991 1.00 74.34 O ATOM 1063 CB ILE A 72 5.650 -30.850 3.909 1.00 72.00 C ATOM 1064 CG1 ILE A 72 4.905 -29.628 4.450 1.00 54.02 C ATOM 1065 CG2 ILE A 72 5.227 -31.144 2.478 1.00 73.54 C ATOM 1066 CD1 ILE A 72 5.816 -28.479 4.819 1.00 5.12 C ATOM 0 H ILE A 72 6.516 -31.082 6.272 1.00 62.40 H new ATOM 0 HA ILE A 72 4.319 -32.263 4.851 1.00 62.51 H new ATOM 0 HB ILE A 72 6.718 -30.633 3.914 1.00 72.00 H new ATOM 0 HG12 ILE A 72 4.190 -29.288 3.701 1.00 54.02 H new ATOM 0 HG13 ILE A 72 4.331 -29.922 5.329 1.00 54.02 H new ATOM 0 HG21 ILE A 72 5.416 -30.269 1.856 1.00 73.54 H new ATOM 0 HG22 ILE A 72 5.798 -31.991 2.096 1.00 73.54 H new ATOM 0 HG23 ILE A 72 4.164 -31.383 2.455 1.00 73.54 H new ATOM 0 HD11 ILE A 72 5.219 -27.648 5.195 1.00 5.12 H new ATOM 0 HD12 ILE A 72 6.515 -28.802 5.591 1.00 5.12 H new ATOM 0 HD13 ILE A 72 6.372 -28.158 3.938 1.00 5.12 H new ATOM 1078 N LEU A 73 5.326 -34.337 3.939 1.00 41.04 N ATOM 1079 CA LEU A 73 5.874 -35.559 3.361 1.00 22.41 C ATOM 1080 C LEU A 73 6.237 -35.353 1.894 1.00 24.21 C ATOM 1081 O LEU A 73 5.363 -35.161 1.048 1.00 3.22 O ATOM 1082 CB LEU A 73 4.869 -36.705 3.493 1.00 12.33 C ATOM 1083 CG LEU A 73 4.715 -37.304 4.891 1.00 33.54 C ATOM 1084 CD1 LEU A 73 6.058 -37.786 5.417 1.00 43.51 C ATOM 1085 CD2 LEU A 73 4.101 -36.288 5.843 1.00 34.20 C ATOM 0 H LEU A 73 4.321 -34.366 4.113 1.00 41.04 H new ATOM 0 HA LEU A 73 6.781 -35.815 3.908 1.00 22.41 H new ATOM 0 HB2 LEU A 73 3.894 -36.346 3.164 1.00 12.33 H new ATOM 0 HB3 LEU A 73 5.164 -37.501 2.809 1.00 12.33 H new ATOM 0 HG LEU A 73 4.045 -38.161 4.825 1.00 33.54 H new ATOM 0 HD11 LEU A 73 5.928 -38.209 6.413 1.00 43.51 H new ATOM 0 HD12 LEU A 73 6.458 -38.548 4.748 1.00 43.51 H new ATOM 0 HD13 LEU A 73 6.752 -36.947 5.467 1.00 43.51 H new ATOM 0 HD21 LEU A 73 3.999 -36.732 6.833 1.00 34.20 H new ATOM 0 HD22 LEU A 73 4.745 -35.411 5.904 1.00 34.20 H new ATOM 0 HD23 LEU A 73 3.118 -35.992 5.475 1.00 34.20 H new ATOM 1097 N HIS A 74 7.533 -35.397 1.599 1.00 53.24 N ATOM 1098 CA HIS A 74 8.012 -35.218 0.233 1.00 52.54 C ATOM 1099 C HIS A 74 7.960 -36.533 -0.538 1.00 60.22 C ATOM 1100 O HIS A 74 8.130 -37.608 0.037 1.00 51.30 O ATOM 1101 CB HIS A 74 9.440 -34.672 0.238 1.00 21.01 C ATOM 1102 CG HIS A 74 9.632 -33.486 -0.656 1.00 73.14 C ATOM 1103 ND1 HIS A 74 9.363 -33.512 -2.009 1.00 22.33 N ATOM 1104 CD2 HIS A 74 10.067 -32.233 -0.385 1.00 34.42 C ATOM 1105 CE1 HIS A 74 9.626 -32.328 -2.531 1.00 3.55 C ATOM 1106 NE2 HIS A 74 10.054 -31.533 -1.566 1.00 23.10 N ATOM 0 H HIS A 74 8.269 -35.555 2.287 1.00 53.24 H new ATOM 0 HA HIS A 74 7.359 -34.500 -0.263 1.00 52.54 H new ATOM 0 HB2 HIS A 74 9.711 -34.396 1.257 1.00 21.01 H new ATOM 0 HB3 HIS A 74 10.124 -35.463 -0.070 1.00 21.01 H new ATOM 0 HD2 HIS A 74 10.368 -31.854 0.581 1.00 34.42 H new ATOM 0 HE1 HIS A 74 9.511 -32.056 -3.570 1.00 3.55 H new ATOM 0 HE2 HIS A 74 10.330 -30.558 -1.680 1.00 23.10 H new ATOM 1114 N ALA A 75 7.724 -36.440 -1.843 1.00 34.23 N ATOM 1115 CA ALA A 75 7.651 -37.623 -2.692 1.00 52.50 C ATOM 1116 C ALA A 75 8.979 -37.875 -3.396 1.00 64.24 C ATOM 1117 O ALA A 75 9.797 -36.972 -3.573 1.00 65.32 O ATOM 1118 CB ALA A 75 6.531 -37.472 -3.711 1.00 61.12 C ATOM 0 H ALA A 75 7.580 -35.558 -2.335 1.00 34.23 H new ATOM 0 HA ALA A 75 7.437 -38.483 -2.058 1.00 52.50 H new ATOM 0 HB1 ALA A 75 6.488 -38.362 -4.338 1.00 61.12 H new ATOM 0 HB2 ALA A 75 5.581 -37.347 -3.192 1.00 61.12 H new ATOM 0 HB3 ALA A 75 6.721 -36.598 -4.334 1.00 61.12 H new ATOM 1124 N PRO A 76 9.202 -39.132 -3.808 1.00 61.14 N ATOM 1125 CA PRO A 76 10.431 -39.533 -4.500 1.00 10.50 C ATOM 1126 C PRO A 76 10.520 -38.951 -5.907 1.00 31.50 C ATOM 1127 O PRO A 76 9.682 -38.144 -6.309 1.00 44.14 O ATOM 1128 CB PRO A 76 10.325 -41.058 -4.557 1.00 74.54 C ATOM 1129 CG PRO A 76 8.863 -41.339 -4.494 1.00 52.02 C ATOM 1130 CD PRO A 76 8.271 -40.259 -3.631 1.00 71.12 C ATOM 0 HA PRO A 76 11.323 -39.174 -3.987 1.00 10.50 H new ATOM 0 HB2 PRO A 76 10.765 -41.451 -5.474 1.00 74.54 H new ATOM 0 HB3 PRO A 76 10.854 -41.523 -3.725 1.00 74.54 H new ATOM 0 HG2 PRO A 76 8.420 -41.329 -5.490 1.00 52.02 H new ATOM 0 HG3 PRO A 76 8.673 -42.325 -4.070 1.00 52.02 H new ATOM 0 HD2 PRO A 76 7.261 -39.999 -3.948 1.00 71.12 H new ATOM 0 HD3 PRO A 76 8.208 -40.568 -2.588 1.00 71.12 H new ATOM 1138 N ASP A 77 11.539 -39.368 -6.650 1.00 42.44 N ATOM 1139 CA ASP A 77 11.736 -38.889 -8.014 1.00 25.31 C ATOM 1140 C ASP A 77 10.798 -39.604 -8.982 1.00 4.15 C ATOM 1141 O ASP A 77 10.782 -39.310 -10.176 1.00 53.04 O ATOM 1142 CB ASP A 77 13.189 -39.097 -8.445 1.00 21.41 C ATOM 1143 CG ASP A 77 14.038 -37.858 -8.238 1.00 33.30 C ATOM 1144 OD1 ASP A 77 14.905 -37.583 -9.094 1.00 14.31 O ATOM 1145 OD2 ASP A 77 13.834 -37.164 -7.221 1.00 3.44 O ATOM 0 H ASP A 77 12.241 -40.036 -6.332 1.00 42.44 H new ATOM 0 HA ASP A 77 11.508 -37.823 -8.035 1.00 25.31 H new ATOM 0 HB2 ASP A 77 13.617 -39.926 -7.881 1.00 21.41 H new ATOM 0 HB3 ASP A 77 13.216 -39.380 -9.497 1.00 21.41 H new ATOM 1150 N ALA A 78 10.020 -40.544 -8.457 1.00 34.42 N ATOM 1151 CA ALA A 78 9.078 -41.300 -9.274 1.00 24.32 C ATOM 1152 C ALA A 78 7.639 -40.904 -8.962 1.00 23.12 C ATOM 1153 O ALA A 78 6.754 -41.025 -9.808 1.00 24.42 O ATOM 1154 CB ALA A 78 9.275 -42.794 -9.060 1.00 11.21 C ATOM 0 H ALA A 78 10.023 -40.801 -7.470 1.00 34.42 H new ATOM 0 HA ALA A 78 9.273 -41.065 -10.320 1.00 24.32 H new ATOM 0 HB1 ALA A 78 8.565 -43.346 -9.676 1.00 11.21 H new ATOM 0 HB2 ALA A 78 10.291 -43.071 -9.340 1.00 11.21 H new ATOM 0 HB3 ALA A 78 9.110 -43.036 -8.010 1.00 11.21 H new ATOM 1160 N GLY A 79 7.412 -40.430 -7.740 1.00 61.33 N ATOM 1161 CA GLY A 79 6.078 -40.024 -7.338 1.00 60.44 C ATOM 1162 C GLY A 79 5.532 -40.869 -6.205 1.00 31.34 C ATOM 1163 O GLY A 79 6.208 -41.773 -5.714 1.00 24.21 O ATOM 0 H GLY A 79 8.128 -40.320 -7.022 1.00 61.33 H new ATOM 0 HA2 GLY A 79 6.097 -38.978 -7.031 1.00 60.44 H new ATOM 0 HA3 GLY A 79 5.407 -40.093 -8.194 1.00 60.44 H new ATOM 1167 N TRP A 80 4.306 -40.574 -5.787 1.00 25.25 N ATOM 1168 CA TRP A 80 3.671 -41.313 -4.701 1.00 73.04 C ATOM 1169 C TRP A 80 3.355 -42.743 -5.128 1.00 4.53 C ATOM 1170 O TRP A 80 3.826 -43.701 -4.516 1.00 53.31 O ATOM 1171 CB TRP A 80 2.389 -40.606 -4.258 1.00 3.44 C ATOM 1172 CG TRP A 80 2.642 -39.313 -3.541 1.00 73.44 C ATOM 1173 CD1 TRP A 80 2.234 -38.069 -3.928 1.00 51.23 C ATOM 1174 CD2 TRP A 80 3.361 -39.139 -2.316 1.00 34.34 C ATOM 1175 NE1 TRP A 80 2.656 -37.131 -3.017 1.00 22.32 N ATOM 1176 CE2 TRP A 80 3.349 -37.763 -2.018 1.00 13.54 C ATOM 1177 CE3 TRP A 80 4.011 -40.012 -1.440 1.00 24.23 C ATOM 1178 CZ2 TRP A 80 3.964 -37.242 -0.882 1.00 55.32 C ATOM 1179 CZ3 TRP A 80 4.621 -39.494 -0.313 1.00 44.44 C ATOM 1180 CH2 TRP A 80 4.593 -38.119 -0.042 1.00 65.21 C ATOM 0 H TRP A 80 3.732 -39.829 -6.183 1.00 25.25 H new ATOM 0 HA TRP A 80 4.367 -41.349 -3.863 1.00 73.04 H new ATOM 0 HB2 TRP A 80 1.768 -40.413 -5.133 1.00 3.44 H new ATOM 0 HB3 TRP A 80 1.823 -41.271 -3.605 1.00 3.44 H new ATOM 0 HD1 TRP A 80 1.663 -37.854 -4.819 1.00 51.23 H new ATOM 0 HE1 TRP A 80 2.482 -36.128 -3.075 1.00 22.32 H new ATOM 0 HE3 TRP A 80 4.036 -41.073 -1.640 1.00 24.23 H new ATOM 0 HZ2 TRP A 80 3.945 -36.183 -0.672 1.00 55.32 H new ATOM 0 HZ3 TRP A 80 5.128 -40.160 0.370 1.00 44.44 H new ATOM 0 HH2 TRP A 80 5.078 -37.745 0.848 1.00 65.21 H new ATOM 1191 N GLY A 81 2.556 -42.879 -6.182 1.00 0.14 N ATOM 1192 CA GLY A 81 2.192 -44.196 -6.671 1.00 42.31 C ATOM 1193 C GLY A 81 1.004 -44.781 -5.933 1.00 44.22 C ATOM 1194 O GLY A 81 0.284 -44.066 -5.238 1.00 54.03 O ATOM 0 H GLY A 81 2.155 -42.101 -6.706 1.00 0.14 H new ATOM 0 HA2 GLY A 81 1.961 -44.134 -7.734 1.00 42.31 H new ATOM 0 HA3 GLY A 81 3.045 -44.867 -6.569 1.00 42.31 H new ATOM 1198 N ASN A 82 0.799 -46.085 -6.086 1.00 30.04 N ATOM 1199 CA ASN A 82 -0.312 -46.766 -5.430 1.00 3.43 C ATOM 1200 C ASN A 82 0.180 -47.980 -4.648 1.00 71.21 C ATOM 1201 O ASN A 82 -0.516 -48.992 -4.549 1.00 10.43 O ATOM 1202 CB ASN A 82 -1.354 -47.198 -6.463 1.00 10.21 C ATOM 1203 CG ASN A 82 -1.477 -46.211 -7.608 1.00 10.22 C ATOM 1204 OD1 ASN A 82 -2.124 -45.081 -7.348 1.00 14.44 O flip ATOM 1205 ND2 ASN A 82 -0.995 -46.462 -8.713 1.00 14.13 N flip ATOM 0 H ASN A 82 1.387 -46.691 -6.658 1.00 30.04 H new ATOM 0 HA ASN A 82 -0.772 -46.068 -4.731 1.00 3.43 H new ATOM 0 HB2 ASN A 82 -1.085 -48.177 -6.859 1.00 10.21 H new ATOM 0 HB3 ASN A 82 -2.322 -47.306 -5.975 1.00 10.21 H new ATOM 0 HD21 ASN A 82 -0.506 -47.344 -8.868 1.00 14.13 H new ATOM 0 HD22 ASN A 82 -1.085 -45.788 -9.474 1.00 14.13 H new ATOM 1212 N LEU A 83 1.383 -47.873 -4.095 1.00 32.25 N ATOM 1213 CA LEU A 83 1.968 -48.962 -3.320 1.00 63.24 C ATOM 1214 C LEU A 83 1.583 -48.853 -1.849 1.00 1.44 C ATOM 1215 O LEU A 83 0.811 -47.975 -1.462 1.00 24.13 O ATOM 1216 CB LEU A 83 3.491 -48.954 -3.463 1.00 4.12 C ATOM 1217 CG LEU A 83 4.169 -47.589 -3.342 1.00 43.31 C ATOM 1218 CD1 LEU A 83 4.118 -46.848 -4.669 1.00 54.13 C ATOM 1219 CD2 LEU A 83 3.516 -46.764 -2.243 1.00 13.10 C ATOM 0 H LEU A 83 1.972 -47.044 -4.169 1.00 32.25 H new ATOM 0 HA LEU A 83 1.577 -49.902 -3.709 1.00 63.24 H new ATOM 0 HB2 LEU A 83 3.911 -49.614 -2.704 1.00 4.12 H new ATOM 0 HB3 LEU A 83 3.747 -49.380 -4.433 1.00 4.12 H new ATOM 0 HG LEU A 83 5.215 -47.747 -3.077 1.00 43.31 H new ATOM 0 HD11 LEU A 83 4.605 -45.879 -4.563 1.00 54.13 H new ATOM 0 HD12 LEU A 83 4.633 -47.432 -5.432 1.00 54.13 H new ATOM 0 HD13 LEU A 83 3.079 -46.701 -4.964 1.00 54.13 H new ATOM 0 HD21 LEU A 83 4.012 -45.796 -2.171 1.00 13.10 H new ATOM 0 HD22 LEU A 83 2.462 -46.615 -2.477 1.00 13.10 H new ATOM 0 HD23 LEU A 83 3.606 -47.289 -1.292 1.00 13.10 H new ATOM 1231 N VAL A 84 2.128 -49.748 -1.031 1.00 73.54 N ATOM 1232 CA VAL A 84 1.844 -49.751 0.399 1.00 40.32 C ATOM 1233 C VAL A 84 2.899 -48.965 1.169 1.00 12.35 C ATOM 1234 O VAL A 84 4.004 -48.738 0.675 1.00 35.33 O ATOM 1235 CB VAL A 84 1.780 -51.185 0.956 1.00 75.10 C ATOM 1236 CG1 VAL A 84 1.119 -51.197 2.326 1.00 3.33 C ATOM 1237 CG2 VAL A 84 1.039 -52.098 -0.009 1.00 61.43 C ATOM 0 H VAL A 84 2.769 -50.481 -1.335 1.00 73.54 H new ATOM 0 HA VAL A 84 0.872 -49.275 0.530 1.00 40.32 H new ATOM 0 HB VAL A 84 2.798 -51.559 1.066 1.00 75.10 H new ATOM 0 HG11 VAL A 84 1.083 -52.219 2.704 1.00 3.33 H new ATOM 0 HG12 VAL A 84 1.694 -50.577 3.013 1.00 3.33 H new ATOM 0 HG13 VAL A 84 0.106 -50.804 2.244 1.00 3.33 H new ATOM 0 HG21 VAL A 84 1.003 -53.108 0.400 1.00 61.43 H new ATOM 0 HG22 VAL A 84 0.024 -51.728 -0.153 1.00 61.43 H new ATOM 0 HG23 VAL A 84 1.559 -52.113 -0.967 1.00 61.43 H new ATOM 1247 N TYR A 85 2.551 -48.552 2.383 1.00 0.50 N ATOM 1248 CA TYR A 85 3.467 -47.789 3.222 1.00 3.34 C ATOM 1249 C TYR A 85 3.472 -48.324 4.651 1.00 75.41 C ATOM 1250 O TYR A 85 2.454 -48.806 5.149 1.00 70.31 O ATOM 1251 CB TYR A 85 3.081 -46.309 3.222 1.00 55.20 C ATOM 1252 CG TYR A 85 2.288 -45.890 4.439 1.00 14.23 C ATOM 1253 CD1 TYR A 85 2.924 -45.586 5.636 1.00 4.33 C ATOM 1254 CD2 TYR A 85 0.902 -45.799 4.393 1.00 1.11 C ATOM 1255 CE1 TYR A 85 2.204 -45.203 6.751 1.00 23.15 C ATOM 1256 CE2 TYR A 85 0.174 -45.416 5.503 1.00 51.33 C ATOM 1257 CZ TYR A 85 0.829 -45.119 6.679 1.00 24.15 C ATOM 1258 OH TYR A 85 0.108 -44.738 7.787 1.00 34.44 O ATOM 0 H TYR A 85 1.641 -48.733 2.808 1.00 0.50 H new ATOM 0 HA TYR A 85 4.470 -47.896 2.809 1.00 3.34 H new ATOM 0 HB2 TYR A 85 3.987 -45.706 3.164 1.00 55.20 H new ATOM 0 HB3 TYR A 85 2.497 -46.094 2.327 1.00 55.20 H new ATOM 0 HD1 TYR A 85 4.000 -45.650 5.696 1.00 4.33 H new ATOM 0 HD2 TYR A 85 0.385 -46.032 3.474 1.00 1.11 H new ATOM 0 HE1 TYR A 85 2.715 -44.971 7.674 1.00 23.15 H new ATOM 0 HE2 TYR A 85 -0.903 -45.350 5.450 1.00 51.33 H new ATOM 0 HH TYR A 85 -0.740 -44.336 7.503 1.00 34.44 H new ATOM 1268 N VAL A 86 4.625 -48.236 5.306 1.00 51.32 N ATOM 1269 CA VAL A 86 4.763 -48.709 6.678 1.00 64.12 C ATOM 1270 C VAL A 86 4.891 -47.543 7.651 1.00 1.14 C ATOM 1271 O VAL A 86 5.733 -46.662 7.475 1.00 22.31 O ATOM 1272 CB VAL A 86 5.988 -49.630 6.833 1.00 45.30 C ATOM 1273 CG1 VAL A 86 6.184 -50.018 8.291 1.00 53.03 C ATOM 1274 CG2 VAL A 86 5.840 -50.866 5.959 1.00 53.32 C ATOM 0 H VAL A 86 5.477 -47.841 4.908 1.00 51.32 H new ATOM 0 HA VAL A 86 3.861 -49.274 6.910 1.00 64.12 H new ATOM 0 HB VAL A 86 6.873 -49.085 6.505 1.00 45.30 H new ATOM 0 HG11 VAL A 86 7.054 -50.669 8.381 1.00 53.03 H new ATOM 0 HG12 VAL A 86 6.339 -49.120 8.889 1.00 53.03 H new ATOM 0 HG13 VAL A 86 5.299 -50.544 8.650 1.00 53.03 H new ATOM 0 HG21 VAL A 86 6.715 -51.505 6.081 1.00 53.32 H new ATOM 0 HG22 VAL A 86 4.945 -51.415 6.253 1.00 53.32 H new ATOM 0 HG23 VAL A 86 5.754 -50.565 4.915 1.00 53.32 H new ATOM 1284 N VAL A 87 4.050 -47.543 8.680 1.00 33.24 N ATOM 1285 CA VAL A 87 4.069 -46.486 9.684 1.00 1.12 C ATOM 1286 C VAL A 87 5.360 -46.521 10.495 1.00 73.41 C ATOM 1287 O VAL A 87 5.955 -47.581 10.687 1.00 41.43 O ATOM 1288 CB VAL A 87 2.870 -46.601 10.644 1.00 53.23 C ATOM 1289 CG1 VAL A 87 2.718 -45.329 11.464 1.00 52.34 C ATOM 1290 CG2 VAL A 87 1.595 -46.901 9.869 1.00 23.12 C ATOM 0 H VAL A 87 3.346 -48.264 8.840 1.00 33.24 H new ATOM 0 HA VAL A 87 4.006 -45.539 9.147 1.00 1.12 H new ATOM 0 HB VAL A 87 3.054 -47.427 11.331 1.00 53.23 H new ATOM 0 HG11 VAL A 87 1.866 -45.429 12.136 1.00 52.34 H new ATOM 0 HG12 VAL A 87 3.623 -45.162 12.048 1.00 52.34 H new ATOM 0 HG13 VAL A 87 2.556 -44.483 10.796 1.00 52.34 H new ATOM 0 HG21 VAL A 87 0.758 -46.979 10.562 1.00 23.12 H new ATOM 0 HG22 VAL A 87 1.404 -46.097 9.158 1.00 23.12 H new ATOM 0 HG23 VAL A 87 1.709 -47.842 9.331 1.00 23.12 H new ATOM 1300 N ASN A 88 5.786 -45.355 10.969 1.00 23.42 N ATOM 1301 CA ASN A 88 7.007 -45.253 11.760 1.00 4.30 C ATOM 1302 C ASN A 88 6.878 -44.164 12.821 1.00 22.34 C ATOM 1303 O ASN A 88 6.491 -43.034 12.523 1.00 70.32 O ATOM 1304 CB ASN A 88 8.204 -44.957 10.853 1.00 13.12 C ATOM 1305 CG ASN A 88 9.528 -45.262 11.526 1.00 63.14 C ATOM 1306 OD1 ASN A 88 9.684 -46.298 12.173 1.00 4.50 O ATOM 1307 ND2 ASN A 88 10.490 -44.359 11.375 1.00 41.02 N ATOM 0 H ASN A 88 5.304 -44.468 10.819 1.00 23.42 H new ATOM 0 HA ASN A 88 7.166 -46.208 12.261 1.00 4.30 H new ATOM 0 HB2 ASN A 88 8.119 -45.546 9.940 1.00 13.12 H new ATOM 0 HB3 ASN A 88 8.182 -43.908 10.558 1.00 13.12 H new ATOM 0 HD21 ASN A 88 11.403 -44.510 11.804 1.00 41.02 H new ATOM 0 HD22 ASN A 88 10.316 -43.515 10.830 1.00 41.02 H new ATOM 1314 N TYR A 89 7.205 -44.513 14.061 1.00 44.43 N ATOM 1315 CA TYR A 89 7.124 -43.567 15.167 1.00 4.52 C ATOM 1316 C TYR A 89 8.498 -43.339 15.791 1.00 32.44 C ATOM 1317 O TYR A 89 8.762 -43.724 16.931 1.00 54.50 O ATOM 1318 CB TYR A 89 6.147 -44.074 16.229 1.00 51.42 C ATOM 1319 CG TYR A 89 4.807 -44.492 15.667 1.00 13.25 C ATOM 1320 CD1 TYR A 89 3.742 -43.600 15.622 1.00 70.02 C ATOM 1321 CD2 TYR A 89 4.605 -45.778 15.184 1.00 74.42 C ATOM 1322 CE1 TYR A 89 2.515 -43.978 15.111 1.00 44.35 C ATOM 1323 CE2 TYR A 89 3.382 -46.164 14.669 1.00 20.34 C ATOM 1324 CZ TYR A 89 2.341 -45.261 14.635 1.00 14.41 C ATOM 1325 OH TYR A 89 1.121 -45.642 14.125 1.00 53.42 O ATOM 0 H TYR A 89 7.528 -45.444 14.325 1.00 44.43 H new ATOM 0 HA TYR A 89 6.762 -42.617 14.773 1.00 4.52 H new ATOM 0 HB2 TYR A 89 6.595 -44.922 16.748 1.00 51.42 H new ATOM 0 HB3 TYR A 89 5.992 -43.291 16.972 1.00 51.42 H new ATOM 0 HD1 TYR A 89 3.876 -42.594 15.993 1.00 70.02 H new ATOM 0 HD2 TYR A 89 5.418 -46.489 15.211 1.00 74.42 H new ATOM 0 HE1 TYR A 89 1.697 -43.273 15.084 1.00 44.35 H new ATOM 0 HE2 TYR A 89 3.243 -47.168 14.295 1.00 20.34 H new ATOM 0 HH TYR A 89 1.180 -46.560 13.788 1.00 53.42 H new ATOM 1335 N PRO A 90 9.395 -42.699 15.027 1.00 1.35 N ATOM 1336 CA PRO A 90 10.757 -42.404 15.484 1.00 54.11 C ATOM 1337 C PRO A 90 10.784 -41.342 16.578 1.00 61.11 C ATOM 1338 O PRO A 90 11.432 -41.516 17.610 1.00 3.22 O ATOM 1339 CB PRO A 90 11.450 -41.888 14.221 1.00 63.24 C ATOM 1340 CG PRO A 90 10.348 -41.349 13.376 1.00 33.21 C ATOM 1341 CD PRO A 90 9.149 -42.212 13.659 1.00 24.35 C ATOM 0 HA PRO A 90 11.238 -43.278 15.924 1.00 54.11 H new ATOM 0 HB2 PRO A 90 12.181 -41.115 14.458 1.00 63.24 H new ATOM 0 HB3 PRO A 90 11.986 -42.687 13.709 1.00 63.24 H new ATOM 0 HG2 PRO A 90 10.144 -40.306 13.619 1.00 33.21 H new ATOM 0 HG3 PRO A 90 10.613 -41.384 12.319 1.00 33.21 H new ATOM 0 HD2 PRO A 90 8.221 -41.644 13.595 1.00 24.35 H new ATOM 0 HD3 PRO A 90 9.069 -43.034 12.948 1.00 24.35 H new ATOM 1349 N LYS A 91 10.076 -40.242 16.346 1.00 1.11 N ATOM 1350 CA LYS A 91 10.017 -39.152 17.312 1.00 2.44 C ATOM 1351 C LYS A 91 8.741 -39.230 18.144 1.00 52.33 C ATOM 1352 O LYS A 91 7.925 -40.133 17.962 1.00 74.31 O ATOM 1353 CB LYS A 91 10.089 -37.802 16.594 1.00 21.04 C ATOM 1354 CG LYS A 91 11.183 -36.890 17.122 1.00 63.12 C ATOM 1355 CD LYS A 91 11.140 -35.525 16.457 1.00 50.45 C ATOM 1356 CE LYS A 91 12.380 -34.706 16.783 1.00 73.12 C ATOM 1357 NZ LYS A 91 12.368 -33.384 16.097 1.00 31.21 N ATOM 0 H LYS A 91 9.535 -40.082 15.496 1.00 1.11 H new ATOM 0 HA LYS A 91 10.872 -39.247 17.981 1.00 2.44 H new ATOM 0 HB2 LYS A 91 10.253 -37.974 15.530 1.00 21.04 H new ATOM 0 HB3 LYS A 91 9.128 -37.297 16.691 1.00 21.04 H new ATOM 0 HG2 LYS A 91 11.072 -36.774 18.200 1.00 63.12 H new ATOM 0 HG3 LYS A 91 12.156 -37.350 16.949 1.00 63.12 H new ATOM 0 HD2 LYS A 91 11.057 -35.648 15.377 1.00 50.45 H new ATOM 0 HD3 LYS A 91 10.251 -34.987 16.786 1.00 50.45 H new ATOM 0 HE2 LYS A 91 12.443 -34.555 17.861 1.00 73.12 H new ATOM 0 HE3 LYS A 91 13.270 -35.261 16.486 1.00 73.12 H new ATOM 0 HZ1 LYS A 91 13.229 -32.857 16.345 1.00 31.21 H new ATOM 0 HZ2 LYS A 91 12.334 -33.527 15.068 1.00 31.21 H new ATOM 0 HZ3 LYS A 91 11.532 -32.844 16.399 1.00 31.21 H new ATOM 1371 N ASP A 92 8.574 -38.277 19.055 1.00 63.15 N ATOM 1372 CA ASP A 92 7.395 -38.237 19.912 1.00 5.21 C ATOM 1373 C ASP A 92 6.536 -37.017 19.597 1.00 53.31 C ATOM 1374 O ASP A 92 6.992 -36.074 18.952 1.00 0.42 O ATOM 1375 CB ASP A 92 7.810 -38.218 21.384 1.00 12.42 C ATOM 1376 CG ASP A 92 6.665 -38.572 22.313 1.00 71.34 C ATOM 1377 OD1 ASP A 92 6.275 -37.712 23.130 1.00 54.25 O ATOM 1378 OD2 ASP A 92 6.159 -39.710 22.222 1.00 54.03 O ATOM 0 H ASP A 92 9.240 -37.522 19.219 1.00 63.15 H new ATOM 0 HA ASP A 92 6.805 -39.133 19.720 1.00 5.21 H new ATOM 0 HB2 ASP A 92 8.629 -38.921 21.537 1.00 12.42 H new ATOM 0 HB3 ASP A 92 8.188 -37.228 21.639 1.00 12.42 H new ATOM 1383 N ASN A 93 5.289 -37.044 20.056 1.00 55.54 N ATOM 1384 CA ASN A 93 4.364 -35.940 19.821 1.00 60.20 C ATOM 1385 C ASN A 93 4.371 -34.965 20.995 1.00 64.44 C ATOM 1386 O ASN A 93 4.559 -35.362 22.145 1.00 65.31 O ATOM 1387 CB ASN A 93 2.948 -36.473 19.595 1.00 32.43 C ATOM 1388 CG ASN A 93 2.175 -35.651 18.582 1.00 0.13 C ATOM 1389 OD1 ASN A 93 2.678 -35.345 17.501 1.00 72.31 O ATOM 1390 ND2 ASN A 93 0.946 -35.288 18.929 1.00 34.13 N ATOM 0 H ASN A 93 4.896 -37.817 20.592 1.00 55.54 H new ATOM 0 HA ASN A 93 4.692 -35.408 18.928 1.00 60.20 H new ATOM 0 HB2 ASN A 93 3.002 -37.507 19.254 1.00 32.43 H new ATOM 0 HB3 ASN A 93 2.409 -36.477 20.542 1.00 32.43 H new ATOM 0 HD21 ASN A 93 0.378 -34.733 18.289 1.00 34.13 H new ATOM 0 HD22 ASN A 93 0.569 -35.564 19.836 1.00 34.13 H new ATOM 1397 N LYS A 94 4.165 -33.687 20.696 1.00 30.22 N ATOM 1398 CA LYS A 94 4.146 -32.654 21.725 1.00 35.31 C ATOM 1399 C LYS A 94 3.137 -31.563 21.381 1.00 2.32 C ATOM 1400 O LYS A 94 2.228 -31.277 22.160 1.00 11.14 O ATOM 1401 CB LYS A 94 5.539 -32.043 21.889 1.00 12.05 C ATOM 1402 CG LYS A 94 6.099 -32.175 23.295 1.00 21.11 C ATOM 1403 CD LYS A 94 7.311 -31.281 23.499 1.00 70.44 C ATOM 1404 CE LYS A 94 8.587 -31.953 23.014 1.00 34.20 C ATOM 1405 NZ LYS A 94 9.461 -31.009 22.265 1.00 54.25 N ATOM 0 H LYS A 94 4.009 -33.342 19.749 1.00 30.22 H new ATOM 0 HA LYS A 94 3.847 -33.117 22.665 1.00 35.31 H new ATOM 0 HB2 LYS A 94 6.222 -32.523 21.188 1.00 12.05 H new ATOM 0 HB3 LYS A 94 5.497 -30.987 21.621 1.00 12.05 H new ATOM 0 HG2 LYS A 94 5.328 -31.915 24.020 1.00 21.11 H new ATOM 0 HG3 LYS A 94 6.376 -33.213 23.481 1.00 21.11 H new ATOM 0 HD2 LYS A 94 7.167 -30.343 22.964 1.00 70.44 H new ATOM 0 HD3 LYS A 94 7.408 -31.033 24.556 1.00 70.44 H new ATOM 0 HE2 LYS A 94 9.133 -32.354 23.868 1.00 34.20 H new ATOM 0 HE3 LYS A 94 8.332 -32.797 22.374 1.00 34.20 H new ATOM 0 HZ1 LYS A 94 10.320 -31.505 21.952 1.00 54.25 H new ATOM 0 HZ2 LYS A 94 8.949 -30.645 21.436 1.00 54.25 H new ATOM 0 HZ3 LYS A 94 9.726 -30.216 22.883 1.00 54.25 H new ATOM 1419 N ARG A 95 3.304 -30.957 20.210 1.00 73.41 N ATOM 1420 CA ARG A 95 2.408 -29.898 19.763 1.00 14.43 C ATOM 1421 C ARG A 95 2.300 -28.798 20.815 1.00 13.44 C ATOM 1422 O ARG A 95 1.388 -28.802 21.642 1.00 13.45 O ATOM 1423 CB ARG A 95 1.020 -30.467 19.461 1.00 23.14 C ATOM 1424 CG ARG A 95 0.089 -29.475 18.785 1.00 53.23 C ATOM 1425 CD ARG A 95 -1.126 -30.169 18.189 1.00 14.51 C ATOM 1426 NE ARG A 95 -1.353 -29.778 16.800 1.00 31.51 N ATOM 1427 CZ ARG A 95 -2.187 -30.415 15.985 1.00 45.03 C ATOM 1428 NH1 ARG A 95 -2.869 -31.466 16.417 1.00 21.23 N ATOM 1429 NH2 ARG A 95 -2.339 -30.000 14.734 1.00 51.33 N ATOM 0 H ARG A 95 4.052 -31.182 19.554 1.00 73.41 H new ATOM 0 HA ARG A 95 2.822 -29.467 18.852 1.00 14.43 H new ATOM 0 HB2 ARG A 95 1.127 -31.344 18.823 1.00 23.14 H new ATOM 0 HB3 ARG A 95 0.564 -30.804 20.392 1.00 23.14 H new ATOM 0 HG2 ARG A 95 -0.236 -28.728 19.509 1.00 53.23 H new ATOM 0 HG3 ARG A 95 0.628 -28.945 18.000 1.00 53.23 H new ATOM 0 HD2 ARG A 95 -0.990 -31.249 18.244 1.00 14.51 H new ATOM 0 HD3 ARG A 95 -2.008 -29.928 18.782 1.00 14.51 H new ATOM 0 HE ARG A 95 -0.844 -28.973 16.436 1.00 31.51 H new ATOM 0 HH11 ARG A 95 -2.755 -31.788 17.378 1.00 21.23 H new ATOM 0 HH12 ARG A 95 -3.508 -31.953 15.789 1.00 21.23 H new ATOM 0 HH21 ARG A 95 -1.816 -29.192 14.398 1.00 51.33 H new ATOM 0 HH22 ARG A 95 -2.979 -30.489 14.109 1.00 51.33 H new ATOM 1443 N LYS A 96 3.237 -27.857 20.778 1.00 2.24 N ATOM 1444 CA LYS A 96 3.249 -26.750 21.727 1.00 14.41 C ATOM 1445 C LYS A 96 3.596 -25.439 21.029 1.00 11.51 C ATOM 1446 O LYS A 96 4.678 -25.295 20.461 1.00 72.24 O ATOM 1447 CB LYS A 96 4.252 -27.023 22.850 1.00 72.21 C ATOM 1448 CG LYS A 96 3.624 -27.051 24.233 1.00 63.52 C ATOM 1449 CD LYS A 96 3.617 -28.456 24.813 1.00 13.21 C ATOM 1450 CE LYS A 96 2.600 -28.589 25.936 1.00 31.24 C ATOM 1451 NZ LYS A 96 2.815 -27.573 27.003 1.00 2.31 N ATOM 0 H LYS A 96 3.999 -27.839 20.100 1.00 2.24 H new ATOM 0 HA LYS A 96 2.250 -26.661 22.155 1.00 14.41 H new ATOM 0 HB2 LYS A 96 4.742 -27.978 22.663 1.00 72.21 H new ATOM 0 HB3 LYS A 96 5.027 -26.257 22.828 1.00 72.21 H new ATOM 0 HG2 LYS A 96 4.174 -26.385 24.897 1.00 63.52 H new ATOM 0 HG3 LYS A 96 2.603 -26.674 24.178 1.00 63.52 H new ATOM 0 HD2 LYS A 96 3.388 -29.175 24.026 1.00 13.21 H new ATOM 0 HD3 LYS A 96 4.610 -28.701 25.189 1.00 13.21 H new ATOM 0 HE2 LYS A 96 1.594 -28.481 25.530 1.00 31.24 H new ATOM 0 HE3 LYS A 96 2.664 -29.588 26.368 1.00 31.24 H new ATOM 0 HZ1 LYS A 96 2.217 -27.799 27.823 1.00 2.31 H new ATOM 0 HZ2 LYS A 96 3.814 -27.578 27.291 1.00 2.31 H new ATOM 0 HZ3 LYS A 96 2.564 -26.631 26.641 1.00 2.31 H new ATOM 1465 N MET A 97 2.672 -24.485 21.078 1.00 52.33 N ATOM 1466 CA MET A 97 2.883 -23.184 20.452 1.00 75.41 C ATOM 1467 C MET A 97 3.990 -22.412 21.162 1.00 20.40 C ATOM 1468 O MET A 97 4.097 -22.449 22.388 1.00 41.21 O ATOM 1469 CB MET A 97 1.587 -22.371 20.468 1.00 50.14 C ATOM 1470 CG MET A 97 0.636 -22.721 19.335 1.00 73.11 C ATOM 1471 SD MET A 97 -1.035 -23.073 19.915 1.00 50.14 S ATOM 1472 CE MET A 97 -1.902 -21.608 19.357 1.00 73.54 C ATOM 0 H MET A 97 1.771 -24.588 21.544 1.00 52.33 H new ATOM 0 HA MET A 97 3.186 -23.351 19.418 1.00 75.41 H new ATOM 0 HB2 MET A 97 1.080 -22.530 21.420 1.00 50.14 H new ATOM 0 HB3 MET A 97 1.832 -21.310 20.411 1.00 50.14 H new ATOM 0 HG2 MET A 97 0.603 -21.895 18.625 1.00 73.11 H new ATOM 0 HG3 MET A 97 1.020 -23.588 18.798 1.00 73.11 H new ATOM 0 HE1 MET A 97 -2.952 -21.676 19.642 1.00 73.54 H new ATOM 0 HE2 MET A 97 -1.458 -20.725 19.817 1.00 73.54 H new ATOM 0 HE3 MET A 97 -1.824 -21.530 18.273 1.00 73.54 H new ATOM 1482 N ASP A 98 4.811 -21.715 20.385 1.00 63.44 N ATOM 1483 CA ASP A 98 5.910 -20.934 20.940 1.00 64.04 C ATOM 1484 C ASP A 98 6.605 -20.123 19.850 1.00 14.43 C ATOM 1485 O ASP A 98 7.371 -20.664 19.054 1.00 52.41 O ATOM 1486 CB ASP A 98 6.920 -21.853 21.630 1.00 14.31 C ATOM 1487 CG ASP A 98 7.604 -21.182 22.804 1.00 4.45 C ATOM 1488 OD1 ASP A 98 7.454 -19.951 22.955 1.00 11.14 O ATOM 1489 OD2 ASP A 98 8.290 -21.887 23.573 1.00 20.32 O ATOM 0 H ASP A 98 4.736 -21.675 19.369 1.00 63.44 H new ATOM 0 HA ASP A 98 5.497 -20.243 21.675 1.00 64.04 H new ATOM 0 HB2 ASP A 98 6.411 -22.753 21.975 1.00 14.31 H new ATOM 0 HB3 ASP A 98 7.672 -22.169 20.907 1.00 14.31 H new ATOM 1494 N GLU A 99 6.330 -18.822 19.822 1.00 74.21 N ATOM 1495 CA GLU A 99 6.927 -17.937 18.829 1.00 72.34 C ATOM 1496 C GLU A 99 6.824 -16.479 19.267 1.00 22.31 C ATOM 1497 O GLU A 99 5.752 -15.876 19.211 1.00 3.52 O ATOM 1498 CB GLU A 99 6.244 -18.123 17.472 1.00 41.41 C ATOM 1499 CG GLU A 99 7.176 -18.636 16.387 1.00 75.21 C ATOM 1500 CD GLU A 99 6.678 -18.315 14.991 1.00 70.31 C ATOM 1501 OE1 GLU A 99 6.762 -17.136 14.588 1.00 12.04 O ATOM 1502 OE2 GLU A 99 6.205 -19.242 14.301 1.00 32.53 O ATOM 0 H GLU A 99 5.698 -18.359 20.475 1.00 74.21 H new ATOM 0 HA GLU A 99 7.982 -18.196 18.736 1.00 72.34 H new ATOM 0 HB2 GLU A 99 5.413 -18.820 17.585 1.00 41.41 H new ATOM 0 HB3 GLU A 99 5.820 -17.170 17.154 1.00 41.41 H new ATOM 0 HG2 GLU A 99 8.165 -18.198 16.526 1.00 75.21 H new ATOM 0 HG3 GLU A 99 7.288 -19.715 16.490 1.00 75.21 H new ATOM 1509 N THR A 100 7.947 -15.918 19.705 1.00 64.53 N ATOM 1510 CA THR A 100 7.985 -14.533 20.155 1.00 51.24 C ATOM 1511 C THR A 100 9.377 -13.936 19.981 1.00 54.35 C ATOM 1512 O THR A 100 10.360 -14.662 19.835 1.00 41.34 O ATOM 1513 CB THR A 100 7.567 -14.410 21.632 1.00 23.42 C ATOM 1514 OG1 THR A 100 6.886 -15.599 22.049 1.00 64.20 O ATOM 1515 CG2 THR A 100 6.665 -13.203 21.841 1.00 22.54 C ATOM 0 H THR A 100 8.843 -16.403 19.757 1.00 64.53 H new ATOM 0 HA THR A 100 7.276 -13.981 19.538 1.00 51.24 H new ATOM 0 HB THR A 100 8.468 -14.278 22.232 1.00 23.42 H new ATOM 0 HG1 THR A 100 6.625 -15.514 22.990 1.00 64.20 H new ATOM 0 HG21 THR A 100 6.383 -13.137 22.892 1.00 22.54 H new ATOM 0 HG22 THR A 100 7.197 -12.297 21.551 1.00 22.54 H new ATOM 0 HG23 THR A 100 5.768 -13.309 21.231 1.00 22.54 H new ATOM 1523 N ASP A 101 9.453 -12.610 19.998 1.00 55.54 N ATOM 1524 CA ASP A 101 10.725 -11.915 19.843 1.00 3.53 C ATOM 1525 C ASP A 101 10.706 -10.577 20.576 1.00 41.41 C ATOM 1526 O ASP A 101 9.653 -10.110 21.009 1.00 51.23 O ATOM 1527 CB ASP A 101 11.034 -11.694 18.362 1.00 62.44 C ATOM 1528 CG ASP A 101 12.424 -12.168 17.983 1.00 33.33 C ATOM 1529 OD1 ASP A 101 12.764 -13.326 18.304 1.00 31.55 O ATOM 1530 OD2 ASP A 101 13.171 -11.382 17.365 1.00 13.54 O ATOM 0 H ASP A 101 8.648 -11.995 20.118 1.00 55.54 H new ATOM 0 HA ASP A 101 11.506 -12.538 20.280 1.00 3.53 H new ATOM 0 HB2 ASP A 101 10.296 -12.221 17.757 1.00 62.44 H new ATOM 0 HB3 ASP A 101 10.939 -10.634 18.128 1.00 62.44 H new ATOM 1535 N ALA A 102 11.878 -9.965 20.712 1.00 63.31 N ATOM 1536 CA ALA A 102 11.996 -8.681 21.391 1.00 12.01 C ATOM 1537 C ALA A 102 13.018 -7.786 20.699 1.00 1.43 C ATOM 1538 O ALA A 102 13.994 -8.270 20.125 1.00 13.44 O ATOM 1539 CB ALA A 102 12.375 -8.888 22.850 1.00 34.31 C ATOM 0 H ALA A 102 12.760 -10.338 20.360 1.00 63.31 H new ATOM 0 HA ALA A 102 11.027 -8.184 21.346 1.00 12.01 H new ATOM 0 HB1 ALA A 102 12.460 -7.920 23.345 1.00 34.31 H new ATOM 0 HB2 ALA A 102 11.607 -9.483 23.345 1.00 34.31 H new ATOM 0 HB3 ALA A 102 13.330 -9.410 22.907 1.00 34.31 H new ATOM 1545 N SER A 103 12.788 -6.478 20.757 1.00 54.21 N ATOM 1546 CA SER A 103 13.687 -5.515 20.132 1.00 54.13 C ATOM 1547 C SER A 103 13.330 -4.090 20.546 1.00 62.51 C ATOM 1548 O SER A 103 12.182 -3.665 20.421 1.00 50.33 O ATOM 1549 CB SER A 103 13.628 -5.645 18.608 1.00 11.04 C ATOM 1550 OG SER A 103 12.685 -4.743 18.056 1.00 73.44 O ATOM 0 H SER A 103 11.987 -6.061 21.231 1.00 54.21 H new ATOM 0 HA SER A 103 14.701 -5.730 20.469 1.00 54.13 H new ATOM 0 HB2 SER A 103 14.613 -5.450 18.185 1.00 11.04 H new ATOM 0 HB3 SER A 103 13.361 -6.666 18.337 1.00 11.04 H new ATOM 0 HG SER A 103 12.667 -4.844 17.081 1.00 73.44 H new ATOM 1556 N SER A 104 14.324 -3.359 21.040 1.00 15.52 N ATOM 1557 CA SER A 104 14.115 -1.983 21.477 1.00 4.00 C ATOM 1558 C SER A 104 15.447 -1.301 21.778 1.00 33.32 C ATOM 1559 O SER A 104 16.198 -1.739 22.649 1.00 34.13 O ATOM 1560 CB SER A 104 13.220 -1.949 22.717 1.00 23.33 C ATOM 1561 OG SER A 104 13.845 -2.592 23.815 1.00 42.21 O ATOM 0 H SER A 104 15.281 -3.696 21.148 1.00 15.52 H new ATOM 0 HA SER A 104 13.623 -1.442 20.669 1.00 4.00 H new ATOM 0 HB2 SER A 104 12.994 -0.915 22.978 1.00 23.33 H new ATOM 0 HB3 SER A 104 12.271 -2.438 22.498 1.00 23.33 H new ATOM 0 HG SER A 104 14.818 -2.549 23.708 1.00 42.21 H new ATOM 1567 N ALA A 105 15.732 -0.227 21.050 1.00 10.43 N ATOM 1568 CA ALA A 105 16.971 0.518 21.240 1.00 71.43 C ATOM 1569 C ALA A 105 17.009 1.756 20.351 1.00 60.25 C ATOM 1570 O ALA A 105 17.495 1.706 19.220 1.00 11.25 O ATOM 1571 CB ALA A 105 18.171 -0.374 20.958 1.00 72.45 C ATOM 0 H ALA A 105 15.122 0.147 20.323 1.00 10.43 H new ATOM 0 HA ALA A 105 17.013 0.847 22.278 1.00 71.43 H new ATOM 0 HB1 ALA A 105 19.089 0.195 21.104 1.00 72.45 H new ATOM 0 HB2 ALA A 105 18.160 -1.225 21.639 1.00 72.45 H new ATOM 0 HB3 ALA A 105 18.125 -0.731 19.929 1.00 72.45 H new ATOM 1577 N VAL A 106 16.493 2.866 20.868 1.00 53.24 N ATOM 1578 CA VAL A 106 16.468 4.118 20.120 1.00 22.03 C ATOM 1579 C VAL A 106 16.870 5.294 21.004 1.00 32.51 C ATOM 1580 O VAL A 106 16.045 6.144 21.338 1.00 34.14 O ATOM 1581 CB VAL A 106 15.073 4.390 19.526 1.00 24.41 C ATOM 1582 CG1 VAL A 106 14.808 3.469 18.345 1.00 75.12 C ATOM 1583 CG2 VAL A 106 14.000 4.227 20.592 1.00 71.05 C ATOM 0 H VAL A 106 16.087 2.924 21.802 1.00 53.24 H new ATOM 0 HA VAL A 106 17.187 4.015 19.307 1.00 22.03 H new ATOM 0 HB VAL A 106 15.043 5.419 19.167 1.00 24.41 H new ATOM 0 HG11 VAL A 106 13.818 3.675 17.938 1.00 75.12 H new ATOM 0 HG12 VAL A 106 15.560 3.640 17.575 1.00 75.12 H new ATOM 0 HG13 VAL A 106 14.856 2.431 18.675 1.00 75.12 H new ATOM 0 HG21 VAL A 106 13.021 4.423 20.155 1.00 71.05 H new ATOM 0 HG22 VAL A 106 14.026 3.210 20.982 1.00 71.05 H new ATOM 0 HG23 VAL A 106 14.183 4.932 21.403 1.00 71.05 H new ATOM 1593 N LYS A 107 18.144 5.336 21.380 1.00 54.14 N ATOM 1594 CA LYS A 107 18.657 6.408 22.224 1.00 45.24 C ATOM 1595 C LYS A 107 20.040 6.853 21.757 1.00 21.53 C ATOM 1596 O LYS A 107 20.661 6.203 20.916 1.00 22.52 O ATOM 1597 CB LYS A 107 18.722 5.950 23.682 1.00 4.24 C ATOM 1598 CG LYS A 107 19.506 4.664 23.882 1.00 51.41 C ATOM 1599 CD LYS A 107 19.307 4.101 25.279 1.00 13.10 C ATOM 1600 CE LYS A 107 19.679 2.628 25.344 1.00 33.32 C ATOM 1601 NZ LYS A 107 18.630 1.763 24.736 1.00 53.41 N ATOM 0 H LYS A 107 18.840 4.640 21.113 1.00 54.14 H new ATOM 0 HA LYS A 107 17.976 7.256 22.146 1.00 45.24 H new ATOM 0 HB2 LYS A 107 19.176 6.739 24.282 1.00 4.24 H new ATOM 0 HB3 LYS A 107 17.708 5.809 24.055 1.00 4.24 H new ATOM 0 HG2 LYS A 107 19.192 3.927 23.143 1.00 51.41 H new ATOM 0 HG3 LYS A 107 20.566 4.853 23.713 1.00 51.41 H new ATOM 0 HD2 LYS A 107 19.915 4.663 25.989 1.00 13.10 H new ATOM 0 HD3 LYS A 107 18.267 4.228 25.579 1.00 13.10 H new ATOM 0 HE2 LYS A 107 20.625 2.469 24.827 1.00 33.32 H new ATOM 0 HE3 LYS A 107 19.831 2.338 26.383 1.00 33.32 H new ATOM 0 HZ1 LYS A 107 18.845 0.765 24.934 1.00 53.41 H new ATOM 0 HZ2 LYS A 107 17.703 2.004 25.141 1.00 53.41 H new ATOM 0 HZ3 LYS A 107 18.608 1.915 23.707 1.00 53.41 H new ATOM 1615 N VAL A 108 20.518 7.963 22.310 1.00 55.32 N ATOM 1616 CA VAL A 108 21.828 8.493 21.952 1.00 21.22 C ATOM 1617 C VAL A 108 22.934 7.504 22.302 1.00 64.12 C ATOM 1618 O VAL A 108 22.865 6.810 23.316 1.00 35.42 O ATOM 1619 CB VAL A 108 22.106 9.830 22.664 1.00 43.21 C ATOM 1620 CG1 VAL A 108 21.996 9.666 24.172 1.00 24.41 C ATOM 1621 CG2 VAL A 108 23.477 10.365 22.276 1.00 32.51 C ATOM 0 H VAL A 108 20.017 8.513 23.008 1.00 55.32 H new ATOM 0 HA VAL A 108 21.819 8.659 20.875 1.00 21.22 H new ATOM 0 HB VAL A 108 21.355 10.554 22.346 1.00 43.21 H new ATOM 0 HG11 VAL A 108 22.196 10.621 24.657 1.00 24.41 H new ATOM 0 HG12 VAL A 108 20.991 9.331 24.429 1.00 24.41 H new ATOM 0 HG13 VAL A 108 22.722 8.928 24.512 1.00 24.41 H new ATOM 0 HG21 VAL A 108 23.657 11.310 22.788 1.00 32.51 H new ATOM 0 HG22 VAL A 108 24.243 9.645 22.563 1.00 32.51 H new ATOM 0 HG23 VAL A 108 23.514 10.524 21.198 1.00 32.51 H new ATOM 1631 N LYS A 109 23.957 7.445 21.455 1.00 33.31 N ATOM 1632 CA LYS A 109 25.081 6.542 21.674 1.00 52.21 C ATOM 1633 C LYS A 109 26.311 7.310 22.148 1.00 72.14 C ATOM 1634 O LYS A 109 27.062 6.833 22.998 1.00 65.32 O ATOM 1635 CB LYS A 109 25.407 5.779 20.388 1.00 54.31 C ATOM 1636 CG LYS A 109 25.795 4.330 20.622 1.00 21.34 C ATOM 1637 CD LYS A 109 24.572 3.447 20.802 1.00 33.33 C ATOM 1638 CE LYS A 109 24.960 2.032 21.204 1.00 34.01 C ATOM 1639 NZ LYS A 109 25.547 1.985 22.572 1.00 51.12 N ATOM 0 H LYS A 109 24.030 8.012 20.610 1.00 33.31 H new ATOM 0 HA LYS A 109 24.798 5.830 22.449 1.00 52.21 H new ATOM 0 HB2 LYS A 109 24.541 5.812 19.727 1.00 54.31 H new ATOM 0 HB3 LYS A 109 26.222 6.286 19.872 1.00 54.31 H new ATOM 0 HG2 LYS A 109 26.384 3.970 19.779 1.00 21.34 H new ATOM 0 HG3 LYS A 109 26.428 4.260 21.506 1.00 21.34 H new ATOM 0 HD2 LYS A 109 23.921 3.877 21.563 1.00 33.33 H new ATOM 0 HD3 LYS A 109 24.002 3.419 19.873 1.00 33.33 H new ATOM 0 HE2 LYS A 109 24.081 1.389 21.164 1.00 34.01 H new ATOM 0 HE3 LYS A 109 25.678 1.635 20.487 1.00 34.01 H new ATOM 0 HZ1 LYS A 109 25.563 1.001 22.909 1.00 51.12 H new ATOM 0 HZ2 LYS A 109 26.517 2.358 22.546 1.00 51.12 H new ATOM 0 HZ3 LYS A 109 24.971 2.563 23.217 1.00 51.12 H new ATOM 1653 N ARG A 110 26.509 8.501 21.593 1.00 12.41 N ATOM 1654 CA ARG A 110 27.648 9.335 21.960 1.00 75.24 C ATOM 1655 C ARG A 110 27.712 9.532 23.471 1.00 5.52 C ATOM 1656 O ARG A 110 26.737 9.949 24.095 1.00 31.11 O ATOM 1657 CB ARG A 110 27.559 10.693 21.260 1.00 31.43 C ATOM 1658 CG ARG A 110 28.771 11.016 20.403 1.00 44.31 C ATOM 1659 CD ARG A 110 29.365 12.369 20.765 1.00 31.33 C ATOM 1660 NE ARG A 110 30.778 12.460 20.406 1.00 14.42 N ATOM 1661 CZ ARG A 110 31.215 12.519 19.153 1.00 1.34 C ATOM 1662 NH1 ARG A 110 30.354 12.497 18.145 1.00 22.33 N ATOM 1663 NH2 ARG A 110 32.516 12.602 18.907 1.00 63.41 N ATOM 0 H ARG A 110 25.896 8.910 20.888 1.00 12.41 H new ATOM 0 HA ARG A 110 28.558 8.828 21.639 1.00 75.24 H new ATOM 0 HB2 ARG A 110 26.667 10.712 20.634 1.00 31.43 H new ATOM 0 HB3 ARG A 110 27.438 11.473 22.012 1.00 31.43 H new ATOM 0 HG2 ARG A 110 29.526 10.240 20.531 1.00 44.31 H new ATOM 0 HG3 ARG A 110 28.486 11.012 19.351 1.00 44.31 H new ATOM 0 HD2 ARG A 110 28.810 13.157 20.255 1.00 31.33 H new ATOM 0 HD3 ARG A 110 29.251 12.540 21.835 1.00 31.33 H new ATOM 0 HE ARG A 110 31.466 12.479 21.158 1.00 14.42 H new ATOM 0 HH11 ARG A 110 29.353 12.435 18.331 1.00 22.33 H new ATOM 0 HH12 ARG A 110 30.693 12.542 17.184 1.00 22.33 H new ATOM 0 HH21 ARG A 110 33.181 12.621 19.680 1.00 63.41 H new ATOM 0 HH22 ARG A 110 32.851 12.647 17.945 1.00 63.41 H new ATOM 1677 N ALA A 111 28.868 9.230 24.053 1.00 4.12 N ATOM 1678 CA ALA A 111 29.061 9.376 25.491 1.00 61.14 C ATOM 1679 C ALA A 111 30.534 9.243 25.863 1.00 12.53 C ATOM 1680 O ALA A 111 31.135 10.175 26.399 1.00 62.41 O ATOM 1681 CB ALA A 111 28.230 8.346 26.242 1.00 40.14 C ATOM 0 H ALA A 111 29.685 8.883 23.551 1.00 4.12 H new ATOM 0 HA ALA A 111 28.729 10.374 25.778 1.00 61.14 H new ATOM 0 HB1 ALA A 111 28.384 8.466 27.314 1.00 40.14 H new ATOM 0 HB2 ALA A 111 27.175 8.489 26.008 1.00 40.14 H new ATOM 0 HB3 ALA A 111 28.535 7.344 25.942 1.00 40.14 H new ATOM 1687 N VAL A 112 31.110 8.080 25.577 1.00 13.12 N ATOM 1688 CA VAL A 112 32.513 7.826 25.882 1.00 13.01 C ATOM 1689 C VAL A 112 33.425 8.457 24.837 1.00 42.24 C ATOM 1690 O VAL A 112 33.085 8.514 23.655 1.00 21.43 O ATOM 1691 CB VAL A 112 32.806 6.316 25.959 1.00 72.11 C ATOM 1692 CG1 VAL A 112 32.494 5.643 24.631 1.00 51.01 C ATOM 1693 CG2 VAL A 112 34.253 6.074 26.361 1.00 13.35 C ATOM 0 H VAL A 112 30.627 7.298 25.134 1.00 13.12 H new ATOM 0 HA VAL A 112 32.713 8.277 26.854 1.00 13.01 H new ATOM 0 HB VAL A 112 32.162 5.877 26.722 1.00 72.11 H new ATOM 0 HG11 VAL A 112 32.707 4.577 24.705 1.00 51.01 H new ATOM 0 HG12 VAL A 112 31.441 5.787 24.389 1.00 51.01 H new ATOM 0 HG13 VAL A 112 33.110 6.083 23.847 1.00 51.01 H new ATOM 0 HG21 VAL A 112 34.442 5.002 26.411 1.00 13.35 H new ATOM 0 HG22 VAL A 112 34.916 6.526 25.623 1.00 13.35 H new ATOM 0 HG23 VAL A 112 34.439 6.521 27.338 1.00 13.35 H new ATOM 1703 N GLN A 113 34.586 8.930 25.280 1.00 15.11 N ATOM 1704 CA GLN A 113 35.547 9.558 24.382 1.00 65.22 C ATOM 1705 C GLN A 113 36.834 8.742 24.306 1.00 52.12 C ATOM 1706 O GLN A 113 37.059 7.841 25.114 1.00 61.11 O ATOM 1707 CB GLN A 113 35.859 10.981 24.848 1.00 51.11 C ATOM 1708 CG GLN A 113 35.970 11.983 23.710 1.00 15.22 C ATOM 1709 CD GLN A 113 34.820 12.971 23.689 1.00 1.52 C ATOM 1710 OE1 GLN A 113 33.653 12.583 23.644 1.00 73.42 O ATOM 1711 NE2 GLN A 113 35.145 14.259 23.722 1.00 20.44 N ATOM 0 H GLN A 113 34.883 8.890 26.255 1.00 15.11 H new ATOM 0 HA GLN A 113 35.104 9.598 23.387 1.00 65.22 H new ATOM 0 HB2 GLN A 113 35.079 11.309 25.535 1.00 51.11 H new ATOM 0 HB3 GLN A 113 36.794 10.974 25.408 1.00 51.11 H new ATOM 0 HG2 GLN A 113 36.910 12.527 23.800 1.00 15.22 H new ATOM 0 HG3 GLN A 113 36.002 11.448 22.761 1.00 15.22 H new ATOM 0 HE21 GLN A 113 36.126 14.537 23.759 1.00 20.44 H new ATOM 0 HE22 GLN A 113 34.414 14.970 23.710 1.00 20.44 H new ATOM 1720 N LYS A 114 37.675 9.063 23.329 1.00 4.41 N ATOM 1721 CA LYS A 114 38.940 8.362 23.147 1.00 65.23 C ATOM 1722 C LYS A 114 40.007 9.299 22.590 1.00 3.20 C ATOM 1723 O LYS A 114 41.122 9.364 23.108 1.00 64.50 O ATOM 1724 CB LYS A 114 38.755 7.168 22.207 1.00 15.31 C ATOM 1725 CG LYS A 114 39.650 5.987 22.539 1.00 1.32 C ATOM 1726 CD LYS A 114 40.930 6.010 21.720 1.00 13.12 C ATOM 1727 CE LYS A 114 41.662 4.679 21.793 1.00 72.10 C ATOM 1728 NZ LYS A 114 43.115 4.859 22.064 1.00 11.13 N ATOM 0 H LYS A 114 37.503 9.805 22.650 1.00 4.41 H new ATOM 0 HA LYS A 114 39.270 8.002 24.122 1.00 65.23 H new ATOM 0 HB2 LYS A 114 37.714 6.846 22.243 1.00 15.31 H new ATOM 0 HB3 LYS A 114 38.954 7.488 21.184 1.00 15.31 H new ATOM 0 HG2 LYS A 114 39.896 6.003 23.601 1.00 1.32 H new ATOM 0 HG3 LYS A 114 39.113 5.058 22.350 1.00 1.32 H new ATOM 0 HD2 LYS A 114 40.694 6.240 20.681 1.00 13.12 H new ATOM 0 HD3 LYS A 114 41.581 6.805 22.083 1.00 13.12 H new ATOM 0 HE2 LYS A 114 41.220 4.064 22.577 1.00 72.10 H new ATOM 0 HE3 LYS A 114 41.532 4.141 20.854 1.00 72.10 H new ATOM 0 HZ1 LYS A 114 43.578 3.929 22.106 1.00 11.13 H new ATOM 0 HZ2 LYS A 114 43.543 5.424 21.303 1.00 11.13 H new ATOM 0 HZ3 LYS A 114 43.241 5.350 22.972 1.00 11.13 H new TER 1742 LYS A 114