USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 2 SER OG : rot -120:sc= -0.107 USER MOD Set 1.2: A 90 ASN : amide:sc= 1.58 K(o=1.5,f=-0.089!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0585 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 30:sc= -4.76! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 120:sc= -0.653 USER MOD Single : A 12 ASN : amide:sc= -0.0674 X(o=-0.067,f=-0.23) USER MOD Single : A 16 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= -0.382 (180deg=-1.61!) USER MOD Single : A 19 THR OG1 : rot -149:sc= -0.94 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0692 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= -0.101 (180deg=-0.547) USER MOD Single : A 33 THR OG1 : rot -99:sc= -1.93! USER MOD Single : A 41 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-6.4!) USER MOD Single : A 46 ASN :FLIP amide:sc= 0.231 F(o=-1.4!,f=0.23) USER MOD Single : A 50 ASN : amide:sc= -0.0533 K(o=-0.053,f=-1.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -3.19 F(o=-4.9!,f=-3.2) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= -1.63 (180deg=-1.81) USER MOD Single : A 59 LYS NZ :NH3+ -106:sc= -0.709 (180deg=-3.82!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -104:sc= 1.09 USER MOD Single : A 72 THR OG1 : rot -168:sc= 1.24 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 80 SER OG : rot 98:sc= 1.18 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 84 THR OG1 : rot 82:sc= 0.3 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.46) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 101.677 114.244 -48.431 1.00 0.00 N ATOM 2 CA MET A 1 100.407 113.942 -47.783 1.00 0.00 C ATOM 3 C MET A 1 100.213 114.796 -46.528 1.00 0.00 C ATOM 4 O MET A 1 101.135 115.420 -46.019 1.00 0.00 O ATOM 5 CB MET A 1 100.302 112.463 -47.409 1.00 0.00 C ATOM 6 CG MET A 1 99.964 111.590 -48.619 1.00 0.00 C ATOM 7 SD MET A 1 98.540 110.542 -48.283 1.00 0.00 S ATOM 8 CE MET A 1 98.188 110.046 -49.978 1.00 0.00 C ATOM 0 H1 MET A 1 101.499 114.677 -49.359 1.00 0.00 H new ATOM 0 H2 MET A 1 102.220 114.904 -47.839 1.00 0.00 H new ATOM 0 H3 MET A 1 102.220 113.366 -48.558 1.00 0.00 H new ATOM 0 HA MET A 1 99.623 114.176 -48.503 1.00 0.00 H new ATOM 0 HB2 MET A 1 101.245 112.131 -46.974 1.00 0.00 H new ATOM 0 HB3 MET A 1 99.536 112.336 -46.644 1.00 0.00 H new ATOM 0 HG2 MET A 1 99.758 112.223 -49.482 1.00 0.00 H new ATOM 0 HG3 MET A 1 100.823 110.970 -48.876 1.00 0.00 H new ATOM 0 HE1 MET A 1 97.324 109.381 -49.991 1.00 0.00 H new ATOM 0 HE2 MET A 1 97.975 110.930 -50.579 1.00 0.00 H new ATOM 0 HE3 MET A 1 99.052 109.526 -50.392 1.00 0.00 H new ATOM 20 N SER A 2 98.947 114.771 -46.071 1.00 0.00 N ATOM 21 CA SER A 2 98.465 115.888 -45.277 1.00 0.00 C ATOM 22 C SER A 2 98.995 115.784 -43.841 1.00 0.00 C ATOM 23 O SER A 2 99.746 116.627 -43.367 1.00 0.00 O ATOM 24 CB SER A 2 96.929 115.887 -45.278 1.00 0.00 C ATOM 25 OG SER A 2 96.328 116.670 -44.254 1.00 0.00 O ATOM 0 H SER A 2 98.275 114.021 -46.234 1.00 0.00 H new ATOM 0 HA SER A 2 98.825 116.821 -45.710 1.00 0.00 H new ATOM 0 HB2 SER A 2 96.581 116.251 -46.245 1.00 0.00 H new ATOM 0 HB3 SER A 2 96.581 114.859 -45.180 1.00 0.00 H new ATOM 0 HG SER A 2 95.770 116.096 -43.688 1.00 0.00 H new ATOM 31 N LYS A 3 98.549 114.693 -43.191 1.00 0.00 N ATOM 32 CA LYS A 3 98.496 114.707 -41.737 1.00 0.00 C ATOM 33 C LYS A 3 99.907 114.839 -41.126 1.00 0.00 C ATOM 34 O LYS A 3 100.165 115.702 -40.297 1.00 0.00 O ATOM 35 CB LYS A 3 97.808 113.419 -41.269 1.00 0.00 C ATOM 36 CG LYS A 3 98.023 113.114 -39.787 1.00 0.00 C ATOM 37 CD LYS A 3 97.015 112.087 -39.268 1.00 0.00 C ATOM 38 CE LYS A 3 95.920 112.743 -38.422 1.00 0.00 C ATOM 39 NZ LYS A 3 94.582 112.267 -38.754 1.00 0.00 N ATOM 0 H LYS A 3 98.235 113.830 -43.635 1.00 0.00 H new ATOM 0 HA LYS A 3 97.927 115.573 -41.399 1.00 0.00 H new ATOM 0 HB2 LYS A 3 96.738 113.497 -41.464 1.00 0.00 H new ATOM 0 HB3 LYS A 3 98.180 112.583 -41.861 1.00 0.00 H new ATOM 0 HG2 LYS A 3 99.035 112.739 -39.636 1.00 0.00 H new ATOM 0 HG3 LYS A 3 97.935 114.034 -39.210 1.00 0.00 H new ATOM 0 HD2 LYS A 3 96.560 111.566 -40.111 1.00 0.00 H new ATOM 0 HD3 LYS A 3 97.535 111.337 -38.672 1.00 0.00 H new ATOM 0 HE2 LYS A 3 96.118 112.549 -37.368 1.00 0.00 H new ATOM 0 HE3 LYS A 3 95.960 113.823 -38.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 93.884 112.746 -38.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 94.377 112.475 -39.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 94.530 111.240 -38.597 1.00 0.00 H new ATOM 53 N VAL A 4 100.792 113.935 -41.587 1.00 0.00 N ATOM 54 CA VAL A 4 101.995 113.648 -40.820 1.00 0.00 C ATOM 55 C VAL A 4 102.868 114.899 -40.592 1.00 0.00 C ATOM 56 O VAL A 4 103.440 115.083 -39.529 1.00 0.00 O ATOM 57 CB VAL A 4 102.806 112.563 -41.517 1.00 0.00 C ATOM 58 CG1 VAL A 4 101.974 111.295 -41.728 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.401 113.075 -42.824 1.00 0.00 C ATOM 0 H VAL A 4 100.694 113.412 -42.457 1.00 0.00 H new ATOM 0 HA VAL A 4 101.676 113.300 -39.837 1.00 0.00 H new ATOM 0 HB VAL A 4 103.638 112.296 -40.865 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.581 110.540 -42.228 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.642 110.913 -40.763 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.106 111.528 -42.344 1.00 0.00 H new ATOM 0 HG21 VAL A 4 103.974 112.279 -43.299 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.598 113.391 -43.490 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.056 113.921 -42.618 1.00 0.00 H new ATOM 69 N THR A 5 102.945 115.743 -41.635 1.00 0.00 N ATOM 70 CA THR A 5 103.720 116.964 -41.496 1.00 0.00 C ATOM 71 C THR A 5 103.207 117.845 -40.333 1.00 0.00 C ATOM 72 O THR A 5 103.987 118.451 -39.608 1.00 0.00 O ATOM 73 CB THR A 5 103.575 117.758 -42.800 1.00 0.00 C ATOM 74 OG1 THR A 5 103.817 116.961 -43.942 1.00 0.00 O ATOM 75 CG2 THR A 5 104.399 119.047 -42.787 1.00 0.00 C ATOM 0 H THR A 5 102.498 115.604 -42.541 1.00 0.00 H new ATOM 0 HA THR A 5 104.756 116.697 -41.287 1.00 0.00 H new ATOM 0 HB THR A 5 102.532 118.068 -42.866 1.00 0.00 H new ATOM 0 HG1 THR A 5 103.712 117.506 -44.750 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.264 119.575 -43.731 1.00 0.00 H new ATOM 0 HG22 THR A 5 104.068 119.682 -41.966 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.453 118.804 -42.655 1.00 0.00 H new ATOM 83 N TYR A 6 101.867 117.882 -40.201 1.00 0.00 N ATOM 84 CA TYR A 6 101.268 118.544 -39.049 1.00 0.00 C ATOM 85 C TYR A 6 101.624 117.842 -37.722 1.00 0.00 C ATOM 86 O TYR A 6 101.820 118.499 -36.710 1.00 0.00 O ATOM 87 CB TYR A 6 99.745 118.645 -39.213 1.00 0.00 C ATOM 88 CG TYR A 6 99.367 119.616 -40.304 1.00 0.00 C ATOM 89 CD1 TYR A 6 99.748 120.978 -40.198 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.668 119.182 -41.460 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.477 121.884 -41.252 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.395 120.085 -42.516 1.00 0.00 C ATOM 93 CZ TYR A 6 98.816 121.434 -42.420 1.00 0.00 C ATOM 94 OH TYR A 6 98.594 122.302 -43.469 1.00 0.00 O ATOM 0 H TYR A 6 101.205 117.473 -40.860 1.00 0.00 H new ATOM 0 HA TYR A 6 101.686 119.550 -39.005 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.337 117.661 -39.444 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.297 118.963 -38.271 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.249 121.327 -39.307 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.342 118.155 -41.535 1.00 0.00 H new ATOM 0 HE1 TYR A 6 99.775 122.918 -41.165 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.866 119.745 -43.394 1.00 0.00 H new ATOM 0 HH TYR A 6 99.305 122.976 -43.491 1.00 0.00 H new ATOM 104 N ILE A 7 101.676 116.492 -37.762 1.00 0.00 N ATOM 105 CA ILE A 7 102.148 115.761 -36.589 1.00 0.00 C ATOM 106 C ILE A 7 103.566 116.196 -36.173 1.00 0.00 C ATOM 107 O ILE A 7 103.842 116.440 -35.005 1.00 0.00 O ATOM 108 CB ILE A 7 102.128 114.257 -36.870 1.00 0.00 C ATOM 109 CG1 ILE A 7 100.758 113.811 -37.378 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.531 113.466 -35.626 1.00 0.00 C ATOM 111 CD1 ILE A 7 99.656 114.184 -36.389 1.00 0.00 C ATOM 0 H ILE A 7 101.408 115.917 -38.560 1.00 0.00 H new ATOM 0 HA ILE A 7 101.475 115.991 -35.763 1.00 0.00 H new ATOM 0 HB ILE A 7 102.858 114.053 -37.653 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.556 114.275 -38.344 1.00 0.00 H new ATOM 0 HG13 ILE A 7 100.759 112.733 -37.536 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.509 112.400 -35.850 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.538 113.753 -35.323 1.00 0.00 H new ATOM 0 HG23 ILE A 7 101.833 113.681 -34.816 1.00 0.00 H new ATOM 0 HD11 ILE A 7 98.692 113.854 -36.777 1.00 0.00 H new ATOM 0 HD12 ILE A 7 99.847 113.699 -35.432 1.00 0.00 H new ATOM 0 HD13 ILE A 7 99.641 115.265 -36.252 1.00 0.00 H new ATOM 123 N ILE A 8 104.438 116.274 -37.197 1.00 0.00 N ATOM 124 CA ILE A 8 105.782 116.789 -36.987 1.00 0.00 C ATOM 125 C ILE A 8 105.754 118.202 -36.371 1.00 0.00 C ATOM 126 O ILE A 8 106.428 118.482 -35.388 1.00 0.00 O ATOM 127 CB ILE A 8 106.522 116.820 -38.328 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.566 115.436 -38.985 1.00 0.00 C ATOM 129 CG2 ILE A 8 107.935 117.377 -38.153 1.00 0.00 C ATOM 130 CD1 ILE A 8 106.902 115.520 -40.474 1.00 0.00 C ATOM 0 H ILE A 8 104.231 115.990 -38.155 1.00 0.00 H new ATOM 0 HA ILE A 8 106.300 116.132 -36.288 1.00 0.00 H new ATOM 0 HB ILE A 8 105.966 117.482 -38.992 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.309 114.818 -38.480 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.602 114.943 -38.858 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.443 117.390 -39.117 1.00 0.00 H new ATOM 0 HG22 ILE A 8 107.880 118.391 -37.758 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.491 116.747 -37.459 1.00 0.00 H new ATOM 0 HD11 ILE A 8 106.923 114.517 -40.899 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.145 116.115 -40.985 1.00 0.00 H new ATOM 0 HD13 ILE A 8 107.878 115.988 -40.601 1.00 0.00 H new ATOM 142 N LYS A 9 104.935 119.064 -37.009 1.00 0.00 N ATOM 143 CA LYS A 9 104.764 120.420 -36.511 1.00 0.00 C ATOM 144 C LYS A 9 104.326 120.440 -35.034 1.00 0.00 C ATOM 145 O LYS A 9 104.917 121.116 -34.201 1.00 0.00 O ATOM 146 CB LYS A 9 103.689 121.103 -37.357 1.00 0.00 C ATOM 147 CG LYS A 9 103.760 122.627 -37.259 1.00 0.00 C ATOM 148 CD LYS A 9 104.811 123.211 -38.202 1.00 0.00 C ATOM 149 CE LYS A 9 106.165 123.378 -37.514 1.00 0.00 C ATOM 150 NZ LYS A 9 106.906 124.529 -38.016 1.00 0.00 N ATOM 0 H LYS A 9 104.399 118.842 -37.848 1.00 0.00 H new ATOM 0 HA LYS A 9 105.720 120.939 -36.580 1.00 0.00 H new ATOM 0 HB2 LYS A 9 103.803 120.802 -38.398 1.00 0.00 H new ATOM 0 HB3 LYS A 9 102.705 120.765 -37.033 1.00 0.00 H new ATOM 0 HG2 LYS A 9 102.784 123.052 -37.495 1.00 0.00 H new ATOM 0 HG3 LYS A 9 103.993 122.914 -36.234 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.922 122.560 -39.069 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.470 124.178 -38.571 1.00 0.00 H new ATOM 0 HE2 LYS A 9 106.013 123.488 -36.440 1.00 0.00 H new ATOM 0 HE3 LYS A 9 106.758 122.475 -37.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 107.817 124.599 -37.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 107.076 124.414 -39.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 106.354 125.395 -37.852 1.00 0.00 H new ATOM 164 N ALA A 10 103.261 119.658 -34.769 1.00 0.00 N ATOM 165 CA ALA A 10 102.614 119.743 -33.469 1.00 0.00 C ATOM 166 C ALA A 10 103.518 119.182 -32.361 1.00 0.00 C ATOM 167 O ALA A 10 103.677 119.787 -31.307 1.00 0.00 O ATOM 168 CB ALA A 10 101.290 118.974 -33.488 1.00 0.00 C ATOM 0 H ALA A 10 102.851 118.987 -35.419 1.00 0.00 H new ATOM 0 HA ALA A 10 102.422 120.795 -33.259 1.00 0.00 H new ATOM 0 HB1 ALA A 10 100.814 119.044 -32.510 1.00 0.00 H new ATOM 0 HB2 ALA A 10 100.631 119.402 -34.243 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.481 117.927 -33.724 1.00 0.00 H new ATOM 174 N SER A 11 104.100 117.997 -32.653 1.00 0.00 N ATOM 175 CA SER A 11 105.098 117.459 -31.742 1.00 0.00 C ATOM 176 C SER A 11 106.211 118.475 -31.413 1.00 0.00 C ATOM 177 O SER A 11 106.591 118.658 -30.263 1.00 0.00 O ATOM 178 CB SER A 11 105.724 116.197 -32.355 1.00 0.00 C ATOM 179 OG SER A 11 106.868 115.702 -31.668 1.00 0.00 O ATOM 0 H SER A 11 103.900 117.428 -33.476 1.00 0.00 H new ATOM 0 HA SER A 11 104.589 117.221 -30.808 1.00 0.00 H new ATOM 0 HB2 SER A 11 104.968 115.412 -32.385 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.002 116.411 -33.387 1.00 0.00 H new ATOM 0 HG SER A 11 106.694 114.789 -31.358 1.00 0.00 H new ATOM 185 N ASN A 12 106.693 119.100 -32.511 1.00 0.00 N ATOM 186 CA ASN A 12 107.699 120.158 -32.500 1.00 0.00 C ATOM 187 C ASN A 12 109.017 119.633 -33.070 1.00 0.00 C ATOM 188 O ASN A 12 110.035 119.563 -32.392 1.00 0.00 O ATOM 189 CB ASN A 12 107.933 120.758 -31.110 1.00 0.00 C ATOM 190 CG ASN A 12 108.813 122.004 -31.219 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.009 121.978 -30.952 1.00 0.00 O ATOM 192 ND2 ASN A 12 108.137 123.092 -31.629 1.00 0.00 N ATOM 0 H ASN A 12 106.376 118.867 -33.452 1.00 0.00 H new ATOM 0 HA ASN A 12 107.312 120.962 -33.126 1.00 0.00 H new ATOM 0 HB2 ASN A 12 106.979 121.016 -30.651 1.00 0.00 H new ATOM 0 HB3 ASN A 12 108.409 120.022 -30.463 1.00 0.00 H new ATOM 0 HD21 ASN A 12 108.622 123.983 -31.738 1.00 0.00 H new ATOM 0 HD22 ASN A 12 107.139 123.027 -31.831 1.00 0.00 H new ATOM 199 N ASP A 13 108.921 119.272 -34.366 1.00 0.00 N ATOM 200 CA ASP A 13 110.109 118.817 -35.079 1.00 0.00 C ATOM 201 C ASP A 13 110.842 117.692 -34.322 1.00 0.00 C ATOM 202 O ASP A 13 112.050 117.734 -34.127 1.00 0.00 O ATOM 203 CB ASP A 13 111.055 119.997 -35.298 1.00 0.00 C ATOM 204 CG ASP A 13 111.976 119.710 -36.486 1.00 0.00 C ATOM 205 OD1 ASP A 13 112.388 118.562 -36.645 1.00 0.00 O ATOM 206 OD2 ASP A 13 112.268 120.638 -37.239 1.00 0.00 O ATOM 0 H ASP A 13 108.062 119.288 -34.915 1.00 0.00 H new ATOM 0 HA ASP A 13 109.788 118.411 -36.038 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.481 120.905 -35.482 1.00 0.00 H new ATOM 0 HB3 ASP A 13 111.648 120.171 -34.400 1.00 0.00 H new ATOM 211 N VAL A 14 110.033 116.692 -33.915 1.00 0.00 N ATOM 212 CA VAL A 14 110.576 115.375 -33.625 1.00 0.00 C ATOM 213 C VAL A 14 110.390 114.459 -34.840 1.00 0.00 C ATOM 214 O VAL A 14 111.347 113.969 -35.427 1.00 0.00 O ATOM 215 CB VAL A 14 109.852 114.809 -32.404 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.224 113.348 -32.148 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.140 115.662 -31.167 1.00 0.00 C ATOM 0 H VAL A 14 109.025 116.780 -33.786 1.00 0.00 H new ATOM 0 HA VAL A 14 111.643 115.443 -33.412 1.00 0.00 H new ATOM 0 HB VAL A 14 108.783 114.841 -32.613 1.00 0.00 H new ATOM 0 HG11 VAL A 14 109.688 112.984 -31.272 1.00 0.00 H new ATOM 0 HG12 VAL A 14 109.953 112.746 -33.015 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.297 113.271 -31.974 1.00 0.00 H new ATOM 0 HG21 VAL A 14 109.616 115.244 -30.307 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.212 115.668 -30.971 1.00 0.00 H new ATOM 0 HG23 VAL A 14 109.797 116.682 -31.340 1.00 0.00 H new ATOM 227 N LEU A 15 109.099 114.262 -35.174 1.00 0.00 N ATOM 228 CA LEU A 15 108.787 113.214 -36.127 1.00 0.00 C ATOM 229 C LEU A 15 109.393 113.561 -37.489 1.00 0.00 C ATOM 230 O LEU A 15 109.813 114.682 -37.748 1.00 0.00 O ATOM 231 CB LEU A 15 107.271 113.052 -36.276 1.00 0.00 C ATOM 232 CG LEU A 15 106.560 112.573 -35.008 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.116 111.247 -34.493 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.572 113.634 -33.911 1.00 0.00 C ATOM 0 H LEU A 15 108.304 114.790 -34.814 1.00 0.00 H new ATOM 0 HA LEU A 15 109.207 112.277 -35.760 1.00 0.00 H new ATOM 0 HB2 LEU A 15 106.843 114.008 -36.579 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.071 112.344 -37.080 1.00 0.00 H new ATOM 0 HG LEU A 15 105.522 112.399 -35.290 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.577 110.952 -33.592 1.00 0.00 H new ATOM 0 HD12 LEU A 15 106.993 110.480 -35.257 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.175 111.362 -34.261 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.057 113.252 -33.030 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.602 113.878 -33.652 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.065 114.531 -34.267 1.00 0.00 H new ATOM 246 N ASN A 16 109.402 112.514 -38.335 1.00 0.00 N ATOM 247 CA ASN A 16 109.377 112.738 -39.773 1.00 0.00 C ATOM 248 C ASN A 16 107.919 112.648 -40.258 1.00 0.00 C ATOM 249 O ASN A 16 106.982 112.798 -39.483 1.00 0.00 O ATOM 250 CB ASN A 16 110.287 111.709 -40.459 1.00 0.00 C ATOM 251 CG ASN A 16 111.741 111.911 -40.022 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.534 112.560 -40.692 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.026 111.308 -38.854 1.00 0.00 N ATOM 0 H ASN A 16 109.426 111.535 -38.049 1.00 0.00 H new ATOM 0 HA ASN A 16 109.756 113.728 -40.027 1.00 0.00 H new ATOM 0 HB2 ASN A 16 109.961 110.700 -40.207 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.208 111.808 -41.542 1.00 0.00 H new ATOM 0 HD21 ASN A 16 112.966 111.373 -38.462 1.00 0.00 H new ATOM 0 HD22 ASN A 16 111.303 110.786 -38.360 1.00 0.00 H new ATOM 260 N GLU A 17 107.777 112.396 -41.576 1.00 0.00 N ATOM 261 CA GLU A 17 106.615 111.649 -42.039 1.00 0.00 C ATOM 262 C GLU A 17 106.472 110.310 -41.292 1.00 0.00 C ATOM 263 O GLU A 17 105.449 110.021 -40.685 1.00 0.00 O ATOM 264 CB GLU A 17 106.738 111.396 -43.542 1.00 0.00 C ATOM 265 CG GLU A 17 106.746 112.698 -44.342 1.00 0.00 C ATOM 266 CD GLU A 17 107.417 112.472 -45.698 1.00 0.00 C ATOM 267 OE1 GLU A 17 106.776 111.907 -46.583 1.00 0.00 O ATOM 268 OE2 GLU A 17 108.573 112.863 -45.852 1.00 0.00 O ATOM 0 H GLU A 17 108.429 112.689 -42.303 1.00 0.00 H new ATOM 0 HA GLU A 17 105.724 112.242 -41.835 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.655 110.841 -43.743 1.00 0.00 H new ATOM 0 HB3 GLU A 17 105.909 110.772 -43.874 1.00 0.00 H new ATOM 0 HG2 GLU A 17 105.725 113.053 -44.486 1.00 0.00 H new ATOM 0 HG3 GLU A 17 107.277 113.472 -43.788 1.00 0.00 H new ATOM 275 N LYS A 18 107.559 109.522 -41.385 1.00 0.00 N ATOM 276 CA LYS A 18 107.408 108.098 -41.132 1.00 0.00 C ATOM 277 C LYS A 18 106.990 107.820 -39.678 1.00 0.00 C ATOM 278 O LYS A 18 106.044 107.089 -39.418 1.00 0.00 O ATOM 279 CB LYS A 18 108.731 107.395 -41.426 1.00 0.00 C ATOM 280 CG LYS A 18 109.131 107.526 -42.892 1.00 0.00 C ATOM 281 CD LYS A 18 110.272 106.576 -43.245 1.00 0.00 C ATOM 282 CE LYS A 18 111.188 107.158 -44.323 1.00 0.00 C ATOM 283 NZ LYS A 18 112.339 106.305 -44.594 1.00 0.00 N ATOM 0 H LYS A 18 108.500 109.835 -41.621 1.00 0.00 H new ATOM 0 HA LYS A 18 106.621 107.717 -41.784 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.514 107.818 -40.797 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.647 106.340 -41.165 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.270 107.314 -43.526 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.434 108.553 -43.098 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.856 106.362 -42.350 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.861 105.628 -43.592 1.00 0.00 H new ATOM 0 HE2 LYS A 18 110.619 107.299 -45.242 1.00 0.00 H new ATOM 0 HE3 LYS A 18 111.535 108.142 -44.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 113.133 106.888 -44.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.616 105.809 -43.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 112.090 105.608 -45.325 1.00 0.00 H new ATOM 297 N THR A 19 107.738 108.453 -38.753 1.00 0.00 N ATOM 298 CA THR A 19 107.378 108.312 -37.349 1.00 0.00 C ATOM 299 C THR A 19 106.019 108.959 -37.006 1.00 0.00 C ATOM 300 O THR A 19 105.296 108.478 -36.143 1.00 0.00 O ATOM 301 CB THR A 19 108.498 108.894 -36.482 1.00 0.00 C ATOM 302 OG1 THR A 19 108.691 110.263 -36.762 1.00 0.00 O ATOM 303 CG2 THR A 19 109.807 108.120 -36.658 1.00 0.00 C ATOM 0 H THR A 19 108.552 109.036 -38.947 1.00 0.00 H new ATOM 0 HA THR A 19 107.261 107.249 -37.140 1.00 0.00 H new ATOM 0 HB THR A 19 108.190 108.794 -35.441 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.632 110.496 -36.620 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.579 108.562 -36.027 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.656 107.079 -36.371 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.120 108.167 -37.701 1.00 0.00 H new ATOM 311 N ALA A 20 105.716 110.069 -37.705 1.00 0.00 N ATOM 312 CA ALA A 20 104.440 110.725 -37.480 1.00 0.00 C ATOM 313 C ALA A 20 103.248 109.809 -37.823 1.00 0.00 C ATOM 314 O ALA A 20 102.296 109.707 -37.061 1.00 0.00 O ATOM 315 CB ALA A 20 104.392 111.972 -38.366 1.00 0.00 C ATOM 0 H ALA A 20 106.319 110.507 -38.401 1.00 0.00 H new ATOM 0 HA ALA A 20 104.358 110.980 -36.423 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.443 112.487 -38.218 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.212 112.639 -38.100 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.487 111.679 -39.412 1.00 0.00 H new ATOM 321 N THR A 21 103.347 109.154 -38.998 1.00 0.00 N ATOM 322 CA THR A 21 102.286 108.219 -39.365 1.00 0.00 C ATOM 323 C THR A 21 102.235 106.976 -38.448 1.00 0.00 C ATOM 324 O THR A 21 101.167 106.476 -38.116 1.00 0.00 O ATOM 325 CB THR A 21 102.403 107.851 -40.850 1.00 0.00 C ATOM 326 OG1 THR A 21 101.160 107.435 -41.370 1.00 0.00 O ATOM 327 CG2 THR A 21 103.501 106.831 -41.166 1.00 0.00 C ATOM 0 H THR A 21 104.108 109.251 -39.670 1.00 0.00 H new ATOM 0 HA THR A 21 101.331 108.721 -39.212 1.00 0.00 H new ATOM 0 HB THR A 21 102.710 108.770 -41.350 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.261 107.208 -42.318 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.513 106.629 -42.237 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.468 107.231 -40.861 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.305 105.906 -40.625 1.00 0.00 H new ATOM 335 N ILE A 22 103.439 106.511 -38.072 1.00 0.00 N ATOM 336 CA ILE A 22 103.538 105.302 -37.267 1.00 0.00 C ATOM 337 C ILE A 22 102.962 105.523 -35.855 1.00 0.00 C ATOM 338 O ILE A 22 102.131 104.759 -35.378 1.00 0.00 O ATOM 339 CB ILE A 22 105.015 104.912 -37.170 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.593 104.583 -38.553 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.264 103.794 -36.147 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.657 103.083 -38.857 1.00 0.00 C ATOM 0 H ILE A 22 104.330 106.947 -38.310 1.00 0.00 H new ATOM 0 HA ILE A 22 102.960 104.507 -37.739 1.00 0.00 H new ATOM 0 HB ILE A 22 105.554 105.781 -36.793 1.00 0.00 H new ATOM 0 HG12 ILE A 22 104.987 105.073 -39.315 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.597 105.002 -38.626 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.328 103.557 -36.119 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.940 104.125 -35.160 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.702 102.906 -36.435 1.00 0.00 H new ATOM 0 HD11 ILE A 22 106.076 102.931 -39.852 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.287 102.589 -38.118 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.653 102.661 -38.818 1.00 0.00 H new ATOM 354 N LEU A 23 103.454 106.610 -35.227 1.00 0.00 N ATOM 355 CA LEU A 23 102.890 107.036 -33.953 1.00 0.00 C ATOM 356 C LEU A 23 101.354 107.179 -34.014 1.00 0.00 C ATOM 357 O LEU A 23 100.659 106.871 -33.056 1.00 0.00 O ATOM 358 CB LEU A 23 103.547 108.369 -33.549 1.00 0.00 C ATOM 359 CG LEU A 23 102.774 109.189 -32.508 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.626 108.409 -31.202 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.452 110.540 -32.267 1.00 0.00 C ATOM 0 H LEU A 23 104.219 107.187 -35.577 1.00 0.00 H new ATOM 0 HA LEU A 23 103.098 106.271 -33.205 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.543 108.161 -33.158 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.677 108.978 -34.444 1.00 0.00 H new ATOM 0 HG LEU A 23 101.775 109.380 -32.900 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.075 109.011 -30.479 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.084 107.482 -31.391 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.613 108.177 -30.803 1.00 0.00 H new ATOM 0 HD21 LEU A 23 102.886 111.104 -31.525 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.467 110.378 -31.903 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.487 111.101 -33.201 1.00 0.00 H new ATOM 373 N ILE A 24 100.872 107.673 -35.169 1.00 0.00 N ATOM 374 CA ILE A 24 99.440 107.838 -35.329 1.00 0.00 C ATOM 375 C ILE A 24 98.703 106.490 -35.298 1.00 0.00 C ATOM 376 O ILE A 24 97.706 106.329 -34.607 1.00 0.00 O ATOM 377 CB ILE A 24 99.202 108.608 -36.624 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.657 110.047 -36.405 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.755 108.519 -37.118 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.537 110.918 -35.838 1.00 0.00 C ATOM 0 H ILE A 24 101.439 107.952 -35.970 1.00 0.00 H new ATOM 0 HA ILE A 24 99.030 108.404 -34.492 1.00 0.00 H new ATOM 0 HB ILE A 24 99.787 108.154 -37.424 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.507 110.059 -35.723 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.001 110.467 -37.350 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.651 109.087 -38.042 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.497 107.476 -37.302 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.086 108.930 -36.362 1.00 0.00 H new ATOM 0 HD11 ILE A 24 98.903 111.935 -35.697 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.697 110.928 -36.532 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.211 110.514 -34.880 1.00 0.00 H new ATOM 392 N THR A 25 99.242 105.541 -36.084 1.00 0.00 N ATOM 393 CA THR A 25 98.554 104.265 -36.202 1.00 0.00 C ATOM 394 C THR A 25 98.397 103.578 -34.829 1.00 0.00 C ATOM 395 O THR A 25 97.324 103.103 -34.479 1.00 0.00 O ATOM 396 CB THR A 25 99.316 103.344 -37.163 1.00 0.00 C ATOM 397 OG1 THR A 25 99.966 104.058 -38.192 1.00 0.00 O ATOM 398 CG2 THR A 25 98.404 102.264 -37.745 1.00 0.00 C ATOM 0 H THR A 25 100.107 105.632 -36.617 1.00 0.00 H new ATOM 0 HA THR A 25 97.557 104.458 -36.597 1.00 0.00 H new ATOM 0 HB THR A 25 100.090 102.855 -36.572 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.439 103.430 -38.777 1.00 0.00 H new ATOM 0 HG21 THR A 25 98.977 101.630 -38.421 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.997 101.657 -36.936 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.587 102.734 -38.293 1.00 0.00 H new ATOM 406 N ILE A 26 99.519 103.554 -34.078 1.00 0.00 N ATOM 407 CA ILE A 26 99.423 103.128 -32.688 1.00 0.00 C ATOM 408 C ILE A 26 98.463 104.021 -31.881 1.00 0.00 C ATOM 409 O ILE A 26 97.572 103.547 -31.186 1.00 0.00 O ATOM 410 CB ILE A 26 100.800 103.166 -32.024 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.883 102.430 -32.820 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.702 102.584 -30.619 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.210 103.181 -32.751 1.00 0.00 C ATOM 0 H ILE A 26 100.452 103.812 -34.400 1.00 0.00 H new ATOM 0 HA ILE A 26 99.034 102.110 -32.693 1.00 0.00 H new ATOM 0 HB ILE A 26 101.104 104.212 -31.987 1.00 0.00 H new ATOM 0 HG12 ILE A 26 102.009 101.422 -32.425 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.571 102.328 -33.859 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.683 102.611 -30.145 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.998 103.172 -30.030 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.354 101.552 -30.676 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.964 102.640 -33.323 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.085 104.180 -33.169 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.530 103.260 -31.712 1.00 0.00 H new ATOM 425 N ALA A 27 98.712 105.336 -32.024 1.00 0.00 N ATOM 426 CA ALA A 27 98.039 106.315 -31.176 1.00 0.00 C ATOM 427 C ALA A 27 96.508 106.150 -31.187 1.00 0.00 C ATOM 428 O ALA A 27 95.864 106.149 -30.146 1.00 0.00 O ATOM 429 CB ALA A 27 98.388 107.728 -31.654 1.00 0.00 C ATOM 0 H ALA A 27 99.361 105.731 -32.705 1.00 0.00 H new ATOM 0 HA ALA A 27 98.385 106.151 -30.155 1.00 0.00 H new ATOM 0 HB1 ALA A 27 97.886 108.460 -31.022 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.466 107.876 -31.595 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.060 107.854 -32.686 1.00 0.00 H new ATOM 435 N LYS A 28 95.966 106.013 -32.415 1.00 0.00 N ATOM 436 CA LYS A 28 94.555 105.681 -32.551 1.00 0.00 C ATOM 437 C LYS A 28 94.222 104.381 -31.802 1.00 0.00 C ATOM 438 O LYS A 28 93.381 104.342 -30.914 1.00 0.00 O ATOM 439 CB LYS A 28 94.190 105.573 -34.040 1.00 0.00 C ATOM 440 CG LYS A 28 93.395 106.791 -34.512 1.00 0.00 C ATOM 441 CD LYS A 28 94.170 108.094 -34.306 1.00 0.00 C ATOM 442 CE LYS A 28 93.452 109.042 -33.345 1.00 0.00 C ATOM 443 NZ LYS A 28 92.567 109.971 -34.038 1.00 0.00 N ATOM 0 H LYS A 28 96.474 106.125 -33.293 1.00 0.00 H new ATOM 0 HA LYS A 28 93.960 106.476 -32.102 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.100 105.479 -34.633 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.605 104.668 -34.208 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.150 106.678 -35.568 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.451 106.841 -33.969 1.00 0.00 H new ATOM 0 HD2 LYS A 28 95.163 107.868 -33.918 1.00 0.00 H new ATOM 0 HD3 LYS A 28 94.309 108.589 -35.267 1.00 0.00 H new ATOM 0 HE2 LYS A 28 92.873 108.459 -32.629 1.00 0.00 H new ATOM 0 HE3 LYS A 28 94.191 109.605 -32.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 92.104 110.592 -33.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 93.121 110.547 -34.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.844 109.437 -34.561 1.00 0.00 H new ATOM 457 N LYS A 29 94.946 103.330 -32.230 1.00 0.00 N ATOM 458 CA LYS A 29 94.502 101.979 -31.956 1.00 0.00 C ATOM 459 C LYS A 29 95.092 101.506 -30.619 1.00 0.00 C ATOM 460 O LYS A 29 96.301 101.435 -30.434 1.00 0.00 O ATOM 461 CB LYS A 29 94.977 101.059 -33.076 1.00 0.00 C ATOM 462 CG LYS A 29 94.458 99.643 -32.877 1.00 0.00 C ATOM 463 CD LYS A 29 94.796 98.764 -34.076 1.00 0.00 C ATOM 464 CE LYS A 29 93.679 98.758 -35.119 1.00 0.00 C ATOM 465 NZ LYS A 29 92.445 98.174 -34.607 1.00 0.00 N ATOM 0 H LYS A 29 95.819 103.401 -32.754 1.00 0.00 H new ATOM 0 HA LYS A 29 93.414 101.955 -31.898 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.635 101.444 -34.037 1.00 0.00 H new ATOM 0 HB3 LYS A 29 96.067 101.050 -33.106 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.894 99.216 -31.974 1.00 0.00 H new ATOM 0 HG3 LYS A 29 93.378 99.665 -32.730 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.719 99.118 -34.536 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.980 97.745 -33.737 1.00 0.00 H new ATOM 0 HE2 LYS A 29 93.486 99.779 -35.447 1.00 0.00 H new ATOM 0 HE3 LYS A 29 94.007 98.199 -35.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.881 97.804 -35.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.673 97.399 -33.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 91.899 98.902 -34.104 1.00 0.00 H new ATOM 479 N ASP A 30 94.150 101.189 -29.713 1.00 0.00 N ATOM 480 CA ASP A 30 94.500 100.838 -28.353 1.00 0.00 C ATOM 481 C ASP A 30 94.712 99.323 -28.242 1.00 0.00 C ATOM 482 O ASP A 30 93.770 98.541 -28.274 1.00 0.00 O ATOM 483 CB ASP A 30 93.362 101.263 -27.431 1.00 0.00 C ATOM 484 CG ASP A 30 93.261 102.790 -27.390 1.00 0.00 C ATOM 485 OD1 ASP A 30 92.876 103.380 -28.398 1.00 0.00 O ATOM 486 OD2 ASP A 30 93.570 103.370 -26.351 1.00 0.00 O ATOM 0 H ASP A 30 93.149 101.173 -29.911 1.00 0.00 H new ATOM 0 HA ASP A 30 95.422 101.344 -28.068 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.422 100.838 -27.781 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.533 100.875 -26.427 1.00 0.00 H new ATOM 491 N PHE A 31 96.005 98.967 -28.112 1.00 0.00 N ATOM 492 CA PHE A 31 96.405 97.591 -28.390 1.00 0.00 C ATOM 493 C PHE A 31 96.108 97.253 -29.859 1.00 0.00 C ATOM 494 O PHE A 31 95.363 96.333 -30.174 1.00 0.00 O ATOM 495 CB PHE A 31 95.692 96.567 -27.477 1.00 0.00 C ATOM 496 CG PHE A 31 95.744 96.841 -25.988 1.00 0.00 C ATOM 497 CD1 PHE A 31 96.749 97.665 -25.412 1.00 0.00 C ATOM 498 CD2 PHE A 31 94.763 96.266 -25.137 1.00 0.00 C ATOM 499 CE1 PHE A 31 96.758 97.928 -24.020 1.00 0.00 C ATOM 500 CE2 PHE A 31 94.776 96.518 -23.743 1.00 0.00 C ATOM 501 CZ PHE A 31 95.773 97.351 -23.183 1.00 0.00 C ATOM 0 H PHE A 31 96.759 99.593 -27.827 1.00 0.00 H new ATOM 0 HA PHE A 31 97.474 97.521 -28.188 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.646 96.512 -27.778 1.00 0.00 H new ATOM 0 HB3 PHE A 31 96.128 95.585 -27.659 1.00 0.00 H new ATOM 0 HD1 PHE A 31 97.514 98.095 -26.042 1.00 0.00 H new ATOM 0 HD2 PHE A 31 93.998 95.629 -25.557 1.00 0.00 H new ATOM 0 HE1 PHE A 31 97.517 98.569 -23.597 1.00 0.00 H new ATOM 0 HE2 PHE A 31 94.024 96.074 -23.107 1.00 0.00 H new ATOM 0 HZ PHE A 31 95.783 97.546 -22.121 1.00 0.00 H new ATOM 511 N ILE A 32 96.743 98.066 -30.729 1.00 0.00 N ATOM 512 CA ILE A 32 97.437 97.562 -31.899 1.00 0.00 C ATOM 513 C ILE A 32 98.424 96.446 -31.505 1.00 0.00 C ATOM 514 O ILE A 32 98.322 95.843 -30.446 1.00 0.00 O ATOM 515 CB ILE A 32 98.112 98.751 -32.607 1.00 0.00 C ATOM 516 CG1 ILE A 32 98.250 98.466 -34.098 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.460 99.129 -31.987 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.308 99.751 -34.921 1.00 0.00 C ATOM 0 H ILE A 32 96.781 99.080 -30.628 1.00 0.00 H new ATOM 0 HA ILE A 32 96.739 97.102 -32.599 1.00 0.00 H new ATOM 0 HB ILE A 32 97.465 99.617 -32.469 1.00 0.00 H new ATOM 0 HG12 ILE A 32 99.153 97.881 -34.274 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.408 97.859 -34.431 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.886 99.973 -32.529 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.316 99.405 -30.942 1.00 0.00 H new ATOM 0 HG23 ILE A 32 100.139 98.279 -32.047 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.406 99.502 -35.978 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.393 100.324 -34.767 1.00 0.00 H new ATOM 0 HD13 ILE A 32 99.166 100.346 -34.607 1.00 0.00 H new ATOM 530 N THR A 33 99.371 96.206 -32.426 1.00 0.00 N ATOM 531 CA THR A 33 100.733 95.942 -31.987 1.00 0.00 C ATOM 532 C THR A 33 101.707 96.562 -32.998 1.00 0.00 C ATOM 533 O THR A 33 101.315 97.207 -33.963 1.00 0.00 O ATOM 534 CB THR A 33 100.969 94.426 -31.844 1.00 0.00 C ATOM 535 OG1 THR A 33 101.184 93.786 -33.081 1.00 0.00 O ATOM 536 CG2 THR A 33 99.840 93.724 -31.073 1.00 0.00 C ATOM 0 H THR A 33 99.221 96.191 -33.435 1.00 0.00 H new ATOM 0 HA THR A 33 100.900 96.391 -31.008 1.00 0.00 H new ATOM 0 HB THR A 33 101.885 94.335 -31.260 1.00 0.00 H new ATOM 0 HG1 THR A 33 100.352 93.362 -33.379 1.00 0.00 H new ATOM 0 HG21 THR A 33 100.056 92.658 -31.001 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.765 94.147 -30.071 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.896 93.868 -31.599 1.00 0.00 H new ATOM 544 N ALA A 34 103.002 96.321 -32.721 1.00 0.00 N ATOM 545 CA ALA A 34 103.975 96.454 -33.802 1.00 0.00 C ATOM 546 C ALA A 34 103.578 95.647 -35.056 1.00 0.00 C ATOM 547 O ALA A 34 103.652 96.134 -36.177 1.00 0.00 O ATOM 548 CB ALA A 34 105.351 96.004 -33.308 1.00 0.00 C ATOM 0 H ALA A 34 103.376 96.049 -31.812 1.00 0.00 H new ATOM 0 HA ALA A 34 104.003 97.504 -34.092 1.00 0.00 H new ATOM 0 HB1 ALA A 34 106.077 96.103 -34.115 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.656 96.625 -32.466 1.00 0.00 H new ATOM 0 HB3 ALA A 34 105.301 94.962 -32.991 1.00 0.00 H new ATOM 554 N ALA A 35 103.149 94.398 -34.789 1.00 0.00 N ATOM 555 CA ALA A 35 102.764 93.494 -35.864 1.00 0.00 C ATOM 556 C ALA A 35 101.689 94.117 -36.780 1.00 0.00 C ATOM 557 O ALA A 35 101.820 94.114 -37.998 1.00 0.00 O ATOM 558 CB ALA A 35 102.266 92.167 -35.270 1.00 0.00 C ATOM 0 H ALA A 35 103.065 94.007 -33.851 1.00 0.00 H new ATOM 0 HA ALA A 35 103.643 93.307 -36.481 1.00 0.00 H new ATOM 0 HB1 ALA A 35 101.979 91.492 -36.077 1.00 0.00 H new ATOM 0 HB2 ALA A 35 103.062 91.710 -34.681 1.00 0.00 H new ATOM 0 HB3 ALA A 35 101.404 92.356 -34.630 1.00 0.00 H new ATOM 564 N GLU A 36 100.625 94.637 -36.138 1.00 0.00 N ATOM 565 CA GLU A 36 99.607 95.303 -36.937 1.00 0.00 C ATOM 566 C GLU A 36 100.162 96.532 -37.684 1.00 0.00 C ATOM 567 O GLU A 36 99.828 96.760 -38.839 1.00 0.00 O ATOM 568 CB GLU A 36 98.405 95.699 -36.070 1.00 0.00 C ATOM 569 CG GLU A 36 97.097 95.228 -36.696 1.00 0.00 C ATOM 570 CD GLU A 36 95.939 95.451 -35.721 1.00 0.00 C ATOM 571 OE1 GLU A 36 96.074 95.079 -34.556 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.917 95.993 -36.137 1.00 0.00 O ATOM 0 H GLU A 36 100.461 94.609 -35.132 1.00 0.00 H new ATOM 0 HA GLU A 36 99.277 94.588 -37.690 1.00 0.00 H new ATOM 0 HB2 GLU A 36 98.512 95.266 -35.075 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.383 96.782 -35.946 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.912 95.771 -37.623 1.00 0.00 H new ATOM 0 HG3 GLU A 36 97.168 94.171 -36.954 1.00 0.00 H new ATOM 579 N VAL A 37 101.012 97.309 -36.980 1.00 0.00 N ATOM 580 CA VAL A 37 101.560 98.485 -37.642 1.00 0.00 C ATOM 581 C VAL A 37 102.361 98.110 -38.913 1.00 0.00 C ATOM 582 O VAL A 37 102.267 98.785 -39.931 1.00 0.00 O ATOM 583 CB VAL A 37 102.439 99.274 -36.667 1.00 0.00 C ATOM 584 CG1 VAL A 37 103.101 100.458 -37.374 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.637 99.762 -35.455 1.00 0.00 C ATOM 0 H VAL A 37 101.312 97.151 -36.018 1.00 0.00 H new ATOM 0 HA VAL A 37 100.724 99.110 -37.958 1.00 0.00 H new ATOM 0 HB VAL A 37 103.216 98.599 -36.307 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.721 101.005 -36.664 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.722 100.092 -38.192 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.332 101.121 -37.771 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.293 100.318 -34.785 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.828 100.410 -35.791 1.00 0.00 H new ATOM 0 HG23 VAL A 37 101.219 98.905 -34.926 1.00 0.00 H new ATOM 595 N ARG A 38 103.144 97.014 -38.805 1.00 0.00 N ATOM 596 CA ARG A 38 103.697 96.412 -40.009 1.00 0.00 C ATOM 597 C ARG A 38 102.613 96.103 -41.066 1.00 0.00 C ATOM 598 O ARG A 38 102.785 96.363 -42.251 1.00 0.00 O ATOM 599 CB ARG A 38 104.426 95.123 -39.640 1.00 0.00 C ATOM 600 CG ARG A 38 105.570 95.357 -38.654 1.00 0.00 C ATOM 601 CD ARG A 38 106.709 94.355 -38.862 1.00 0.00 C ATOM 602 NE ARG A 38 106.546 93.207 -37.982 1.00 0.00 N ATOM 603 CZ ARG A 38 107.363 93.050 -36.922 1.00 0.00 C ATOM 604 NH1 ARG A 38 107.382 93.961 -35.954 1.00 0.00 N ATOM 605 NH2 ARG A 38 108.151 91.981 -36.846 1.00 0.00 N ATOM 0 H ARG A 38 103.392 96.553 -37.929 1.00 0.00 H new ATOM 0 HA ARG A 38 104.387 97.133 -40.449 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.715 94.419 -39.206 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.820 94.661 -40.545 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.951 96.371 -38.772 1.00 0.00 H new ATOM 0 HG3 ARG A 38 105.194 95.275 -37.634 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.725 94.025 -39.901 1.00 0.00 H new ATOM 0 HD3 ARG A 38 107.666 94.838 -38.666 1.00 0.00 H new ATOM 0 HE ARG A 38 105.814 92.522 -38.168 1.00 0.00 H new ATOM 0 HH11 ARG A 38 106.777 94.780 -36.013 1.00 0.00 H new ATOM 0 HH12 ARG A 38 108.001 93.840 -35.152 1.00 0.00 H new ATOM 0 HH21 ARG A 38 108.136 91.282 -37.589 1.00 0.00 H new ATOM 0 HH22 ARG A 38 108.770 91.860 -36.045 1.00 0.00 H new ATOM 619 N GLU A 39 101.500 95.531 -40.567 1.00 0.00 N ATOM 620 CA GLU A 39 100.504 94.986 -41.478 1.00 0.00 C ATOM 621 C GLU A 39 99.739 96.092 -42.233 1.00 0.00 C ATOM 622 O GLU A 39 99.470 95.981 -43.423 1.00 0.00 O ATOM 623 CB GLU A 39 99.523 94.139 -40.673 1.00 0.00 C ATOM 624 CG GLU A 39 100.218 92.948 -40.017 1.00 0.00 C ATOM 625 CD GLU A 39 99.800 91.624 -40.665 1.00 0.00 C ATOM 626 OE1 GLU A 39 100.311 91.308 -41.738 1.00 0.00 O ATOM 627 OE2 GLU A 39 98.968 90.924 -40.087 1.00 0.00 O ATOM 0 H GLU A 39 101.282 95.441 -39.575 1.00 0.00 H new ATOM 0 HA GLU A 39 101.017 94.381 -42.226 1.00 0.00 H new ATOM 0 HB2 GLU A 39 99.053 94.755 -39.906 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.727 93.782 -41.327 1.00 0.00 H new ATOM 0 HG2 GLU A 39 101.299 93.067 -40.097 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.977 92.926 -38.954 1.00 0.00 H new ATOM 634 N VAL A 40 99.409 97.155 -41.471 1.00 0.00 N ATOM 635 CA VAL A 40 98.519 98.183 -41.991 1.00 0.00 C ATOM 636 C VAL A 40 99.231 99.228 -42.867 1.00 0.00 C ATOM 637 O VAL A 40 98.573 100.018 -43.532 1.00 0.00 O ATOM 638 CB VAL A 40 97.850 98.926 -40.835 1.00 0.00 C ATOM 639 CG1 VAL A 40 98.883 99.612 -39.938 1.00 0.00 C ATOM 640 CG2 VAL A 40 96.854 99.955 -41.376 1.00 0.00 C ATOM 0 H VAL A 40 99.741 97.312 -40.520 1.00 0.00 H new ATOM 0 HA VAL A 40 97.793 97.659 -42.612 1.00 0.00 H new ATOM 0 HB VAL A 40 97.316 98.193 -40.230 1.00 0.00 H new ATOM 0 HG11 VAL A 40 98.373 100.131 -39.126 1.00 0.00 H new ATOM 0 HG12 VAL A 40 99.558 98.864 -39.523 1.00 0.00 H new ATOM 0 HG13 VAL A 40 99.455 100.331 -40.525 1.00 0.00 H new ATOM 0 HG21 VAL A 40 96.383 100.478 -40.544 1.00 0.00 H new ATOM 0 HG22 VAL A 40 97.379 100.673 -42.006 1.00 0.00 H new ATOM 0 HG23 VAL A 40 96.090 99.447 -41.964 1.00 0.00 H new ATOM 650 N HIS A 41 100.578 99.235 -42.831 1.00 0.00 N ATOM 651 CA HIS A 41 101.266 99.925 -43.894 1.00 0.00 C ATOM 652 C HIS A 41 101.056 99.175 -45.228 1.00 0.00 C ATOM 653 O HIS A 41 101.349 97.992 -45.350 1.00 0.00 O ATOM 654 CB HIS A 41 102.716 100.200 -43.462 1.00 0.00 C ATOM 655 CG HIS A 41 103.763 99.216 -43.939 1.00 0.00 C ATOM 656 ND1 HIS A 41 104.102 99.050 -45.236 1.00 0.00 N ATOM 657 CD2 HIS A 41 104.583 98.389 -43.156 1.00 0.00 C ATOM 658 CE1 HIS A 41 105.103 98.154 -45.236 1.00 0.00 C ATOM 659 NE2 HIS A 41 105.414 97.734 -43.997 1.00 0.00 N ATOM 0 H HIS A 41 101.163 98.797 -42.120 1.00 0.00 H new ATOM 0 HA HIS A 41 100.851 100.914 -44.089 1.00 0.00 H new ATOM 0 HB2 HIS A 41 102.995 101.192 -43.816 1.00 0.00 H new ATOM 0 HB3 HIS A 41 102.747 100.230 -42.373 1.00 0.00 H new ATOM 0 HD2 HIS A 41 104.555 98.294 -42.081 1.00 0.00 H new ATOM 0 HE1 HIS A 41 105.602 97.810 -46.130 1.00 0.00 H new ATOM 0 HE2 HIS A 41 106.133 97.057 -43.743 1.00 0.00 H new ATOM 667 N PRO A 42 100.530 99.933 -46.219 1.00 0.00 N ATOM 668 CA PRO A 42 101.125 99.989 -47.542 1.00 0.00 C ATOM 669 C PRO A 42 102.520 100.614 -47.507 1.00 0.00 C ATOM 670 O PRO A 42 103.523 99.981 -47.815 1.00 0.00 O ATOM 671 CB PRO A 42 100.170 100.836 -48.390 1.00 0.00 C ATOM 672 CG PRO A 42 99.053 101.307 -47.455 1.00 0.00 C ATOM 673 CD PRO A 42 99.303 100.702 -46.075 1.00 0.00 C ATOM 0 HA PRO A 42 101.256 98.989 -47.955 1.00 0.00 H new ATOM 0 HB2 PRO A 42 100.692 101.686 -48.828 1.00 0.00 H new ATOM 0 HB3 PRO A 42 99.763 100.252 -49.215 1.00 0.00 H new ATOM 0 HG2 PRO A 42 99.039 102.395 -47.397 1.00 0.00 H new ATOM 0 HG3 PRO A 42 98.081 100.996 -47.837 1.00 0.00 H new ATOM 0 HD2 PRO A 42 99.410 101.478 -45.317 1.00 0.00 H new ATOM 0 HD3 PRO A 42 98.473 100.067 -45.766 1.00 0.00 H new ATOM 681 N ASP A 43 102.505 101.902 -47.111 1.00 0.00 N ATOM 682 CA ASP A 43 103.536 102.822 -47.570 1.00 0.00 C ATOM 683 C ASP A 43 104.193 103.550 -46.384 1.00 0.00 C ATOM 684 O ASP A 43 104.422 104.752 -46.425 1.00 0.00 O ATOM 685 CB ASP A 43 102.906 103.844 -48.519 1.00 0.00 C ATOM 686 CG ASP A 43 101.827 104.670 -47.809 1.00 0.00 C ATOM 687 OD1 ASP A 43 100.690 104.206 -47.730 1.00 0.00 O ATOM 688 OD2 ASP A 43 102.137 105.765 -47.344 1.00 0.00 O ATOM 0 H ASP A 43 101.806 102.310 -46.491 1.00 0.00 H new ATOM 0 HA ASP A 43 104.308 102.255 -48.089 1.00 0.00 H new ATOM 0 HB2 ASP A 43 103.679 104.508 -48.907 1.00 0.00 H new ATOM 0 HB3 ASP A 43 102.469 103.329 -49.374 1.00 0.00 H new ATOM 693 N LEU A 44 104.478 102.753 -45.333 1.00 0.00 N ATOM 694 CA LEU A 44 105.471 103.162 -44.360 1.00 0.00 C ATOM 695 C LEU A 44 106.819 102.510 -44.694 1.00 0.00 C ATOM 696 O LEU A 44 107.769 103.174 -45.091 1.00 0.00 O ATOM 697 CB LEU A 44 105.000 102.757 -42.964 1.00 0.00 C ATOM 698 CG LEU A 44 103.941 103.708 -42.390 1.00 0.00 C ATOM 699 CD1 LEU A 44 102.805 104.024 -43.363 1.00 0.00 C ATOM 700 CD2 LEU A 44 103.374 103.182 -41.069 1.00 0.00 C ATOM 0 H LEU A 44 104.040 101.850 -45.152 1.00 0.00 H new ATOM 0 HA LEU A 44 105.599 104.244 -44.387 1.00 0.00 H new ATOM 0 HB2 LEU A 44 104.591 101.747 -43.003 1.00 0.00 H new ATOM 0 HB3 LEU A 44 105.857 102.728 -42.291 1.00 0.00 H new ATOM 0 HG LEU A 44 104.466 104.646 -42.207 1.00 0.00 H new ATOM 0 HD11 LEU A 44 102.096 104.701 -42.887 1.00 0.00 H new ATOM 0 HD12 LEU A 44 103.213 104.495 -44.257 1.00 0.00 H new ATOM 0 HD13 LEU A 44 102.295 103.101 -43.639 1.00 0.00 H new ATOM 0 HD21 LEU A 44 102.627 103.880 -40.690 1.00 0.00 H new ATOM 0 HD22 LEU A 44 102.911 102.209 -41.233 1.00 0.00 H new ATOM 0 HD23 LEU A 44 104.179 103.082 -40.341 1.00 0.00 H new ATOM 712 N GLY A 45 106.842 101.171 -44.514 1.00 0.00 N ATOM 713 CA GLY A 45 108.023 100.410 -44.890 1.00 0.00 C ATOM 714 C GLY A 45 108.434 99.459 -43.763 1.00 0.00 C ATOM 715 O GLY A 45 108.502 99.837 -42.604 1.00 0.00 O ATOM 0 H GLY A 45 106.077 100.622 -44.123 1.00 0.00 H new ATOM 0 HA2 GLY A 45 107.822 99.841 -45.798 1.00 0.00 H new ATOM 0 HA3 GLY A 45 108.844 101.091 -45.116 1.00 0.00 H new ATOM 719 N ASN A 46 108.723 98.208 -44.158 1.00 0.00 N ATOM 720 CA ASN A 46 108.994 97.215 -43.119 1.00 0.00 C ATOM 721 C ASN A 46 110.145 97.657 -42.191 1.00 0.00 C ATOM 722 O ASN A 46 110.028 97.640 -40.972 1.00 0.00 O ATOM 723 CB ASN A 46 109.386 95.858 -43.719 1.00 0.00 C ATOM 724 CG ASN A 46 108.488 95.434 -44.888 1.00 0.00 C ATOM 725 OD1 ASN A 46 108.864 95.993 -46.051 1.00 0.00 O flip ATOM 726 ND2 ASN A 46 107.541 94.669 -44.741 1.00 0.00 N flip ATOM 0 H ASN A 46 108.772 97.879 -45.122 1.00 0.00 H new ATOM 0 HA ASN A 46 108.068 97.123 -42.552 1.00 0.00 H new ATOM 0 HB2 ASN A 46 110.420 95.904 -44.061 1.00 0.00 H new ATOM 0 HB3 ASN A 46 109.342 95.097 -42.940 1.00 0.00 H new ATOM 0 HD21 ASN A 46 107.329 94.292 -43.817 1.00 0.00 H new ATOM 0 HD22 ASN A 46 106.966 94.410 -45.542 1.00 0.00 H new ATOM 733 N ALA A 47 111.251 98.052 -42.851 1.00 0.00 N ATOM 734 CA ALA A 47 112.431 98.430 -42.089 1.00 0.00 C ATOM 735 C ALA A 47 112.198 99.718 -41.280 1.00 0.00 C ATOM 736 O ALA A 47 112.530 99.792 -40.102 1.00 0.00 O ATOM 737 CB ALA A 47 113.613 98.620 -43.041 1.00 0.00 C ATOM 0 H ALA A 47 111.342 98.113 -43.865 1.00 0.00 H new ATOM 0 HA ALA A 47 112.648 97.630 -41.381 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.498 98.903 -42.471 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.806 97.688 -43.571 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.378 99.405 -43.760 1.00 0.00 H new ATOM 743 N VAL A 48 111.608 100.722 -41.962 1.00 0.00 N ATOM 744 CA VAL A 48 111.398 101.968 -41.236 1.00 0.00 C ATOM 745 C VAL A 48 110.426 101.780 -40.055 1.00 0.00 C ATOM 746 O VAL A 48 110.636 102.323 -38.980 1.00 0.00 O ATOM 747 CB VAL A 48 110.908 103.083 -42.165 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.814 103.226 -43.385 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.458 102.875 -42.598 1.00 0.00 C ATOM 0 H VAL A 48 111.295 100.696 -42.932 1.00 0.00 H new ATOM 0 HA VAL A 48 112.365 102.267 -40.830 1.00 0.00 H new ATOM 0 HB VAL A 48 110.951 104.009 -41.592 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.440 104.025 -44.025 1.00 0.00 H new ATOM 0 HG12 VAL A 48 112.827 103.465 -43.060 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.824 102.290 -43.943 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.154 103.690 -43.255 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.369 101.927 -43.129 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.814 102.859 -41.718 1.00 0.00 H new ATOM 759 N VAL A 49 109.363 100.995 -40.316 1.00 0.00 N ATOM 760 CA VAL A 49 108.298 100.848 -39.333 1.00 0.00 C ATOM 761 C VAL A 49 108.815 100.288 -37.994 1.00 0.00 C ATOM 762 O VAL A 49 108.438 100.754 -36.926 1.00 0.00 O ATOM 763 CB VAL A 49 107.198 99.956 -39.919 1.00 0.00 C ATOM 764 CG1 VAL A 49 106.141 99.585 -38.880 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.536 100.659 -41.096 1.00 0.00 C ATOM 0 H VAL A 49 109.229 100.469 -41.180 1.00 0.00 H new ATOM 0 HA VAL A 49 107.890 101.835 -39.113 1.00 0.00 H new ATOM 0 HB VAL A 49 107.670 99.032 -40.253 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.383 98.953 -39.342 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.612 99.045 -38.058 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.673 100.492 -38.497 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.755 100.020 -41.509 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.097 101.598 -40.759 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.282 100.863 -41.864 1.00 0.00 H new ATOM 775 N ASN A 50 109.692 99.271 -38.112 1.00 0.00 N ATOM 776 CA ASN A 50 110.393 98.789 -36.928 1.00 0.00 C ATOM 777 C ASN A 50 111.116 99.931 -36.185 1.00 0.00 C ATOM 778 O ASN A 50 111.021 100.060 -34.970 1.00 0.00 O ATOM 779 CB ASN A 50 111.412 97.720 -37.335 1.00 0.00 C ATOM 780 CG ASN A 50 111.520 96.656 -36.242 1.00 0.00 C ATOM 781 OD1 ASN A 50 111.132 96.861 -35.098 1.00 0.00 O ATOM 782 ND2 ASN A 50 112.071 95.508 -36.677 1.00 0.00 N ATOM 0 H ASN A 50 109.919 98.790 -38.982 1.00 0.00 H new ATOM 0 HA ASN A 50 109.651 98.365 -36.251 1.00 0.00 H new ATOM 0 HB2 ASN A 50 111.111 97.258 -38.275 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.386 98.180 -37.504 1.00 0.00 H new ATOM 0 HD21 ASN A 50 112.192 94.725 -36.035 1.00 0.00 H new ATOM 0 HD22 ASN A 50 112.368 95.421 -37.649 1.00 0.00 H new ATOM 789 N SER A 51 111.837 100.743 -36.983 1.00 0.00 N ATOM 790 CA SER A 51 112.530 101.868 -36.373 1.00 0.00 C ATOM 791 C SER A 51 111.557 102.878 -35.725 1.00 0.00 C ATOM 792 O SER A 51 111.803 103.368 -34.632 1.00 0.00 O ATOM 793 CB SER A 51 113.387 102.571 -37.436 1.00 0.00 C ATOM 794 OG SER A 51 113.839 103.872 -37.082 1.00 0.00 O ATOM 0 H SER A 51 111.946 100.643 -37.992 1.00 0.00 H new ATOM 0 HA SER A 51 113.162 101.478 -35.575 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.255 101.948 -37.651 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.809 102.642 -38.358 1.00 0.00 H new ATOM 0 HG SER A 51 114.376 104.242 -37.814 1.00 0.00 H new ATOM 800 N ASN A 52 110.459 103.170 -36.454 1.00 0.00 N ATOM 801 CA ASN A 52 109.582 104.272 -36.085 1.00 0.00 C ATOM 802 C ASN A 52 108.806 104.032 -34.772 1.00 0.00 C ATOM 803 O ASN A 52 108.579 104.940 -33.983 1.00 0.00 O ATOM 804 CB ASN A 52 108.564 104.459 -37.205 1.00 0.00 C ATOM 805 CG ASN A 52 109.253 104.859 -38.517 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.781 104.194 -39.586 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 110.145 105.698 -38.549 1.00 0.00 N flip ATOM 0 H ASN A 52 110.172 102.659 -37.288 1.00 0.00 H new ATOM 0 HA ASN A 52 110.212 105.148 -35.932 1.00 0.00 H new ATOM 0 HB2 ASN A 52 108.006 103.534 -37.351 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.843 105.225 -36.921 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.444 106.157 -37.689 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.588 105.938 -39.436 1.00 0.00 H new ATOM 814 N ILE A 53 108.370 102.776 -34.605 1.00 0.00 N ATOM 815 CA ILE A 53 107.729 102.413 -33.356 1.00 0.00 C ATOM 816 C ILE A 53 108.731 102.445 -32.186 1.00 0.00 C ATOM 817 O ILE A 53 108.471 103.019 -31.137 1.00 0.00 O ATOM 818 CB ILE A 53 107.137 101.012 -33.505 1.00 0.00 C ATOM 819 CG1 ILE A 53 106.143 100.924 -34.668 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.448 100.553 -32.224 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.954 99.481 -35.124 1.00 0.00 C ATOM 0 H ILE A 53 108.449 102.028 -35.294 1.00 0.00 H new ATOM 0 HA ILE A 53 106.942 103.134 -33.133 1.00 0.00 H new ATOM 0 HB ILE A 53 107.979 100.353 -33.716 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.183 101.340 -34.362 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.501 101.528 -35.502 1.00 0.00 H new ATOM 0 HG21 ILE A 53 106.040 99.553 -32.369 1.00 0.00 H new ATOM 0 HG22 ILE A 53 107.171 100.535 -31.408 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.640 101.243 -31.978 1.00 0.00 H new ATOM 0 HD11 ILE A 53 105.243 99.451 -35.950 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.911 99.075 -35.453 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.573 98.885 -34.295 1.00 0.00 H new ATOM 833 N GLY A 54 109.880 101.785 -32.425 1.00 0.00 N ATOM 834 CA GLY A 54 110.913 101.768 -31.405 1.00 0.00 C ATOM 835 C GLY A 54 111.406 103.168 -31.007 1.00 0.00 C ATOM 836 O GLY A 54 111.628 103.452 -29.840 1.00 0.00 O ATOM 0 H GLY A 54 110.100 101.279 -33.283 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.529 101.261 -30.519 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.759 101.183 -31.766 1.00 0.00 H new ATOM 840 N VAL A 55 111.583 104.011 -32.035 1.00 0.00 N ATOM 841 CA VAL A 55 112.135 105.332 -31.769 1.00 0.00 C ATOM 842 C VAL A 55 111.165 106.228 -30.961 1.00 0.00 C ATOM 843 O VAL A 55 111.587 107.016 -30.123 1.00 0.00 O ATOM 844 CB VAL A 55 112.542 105.979 -33.090 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.320 106.440 -33.861 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.526 107.127 -32.875 1.00 0.00 C ATOM 0 H VAL A 55 111.362 103.810 -33.010 1.00 0.00 H new ATOM 0 HA VAL A 55 113.018 105.218 -31.140 1.00 0.00 H new ATOM 0 HB VAL A 55 113.054 105.223 -33.686 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.633 106.898 -34.799 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.678 105.584 -34.071 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.769 107.169 -33.267 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.793 107.563 -33.838 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.064 107.889 -32.247 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.424 106.750 -32.386 1.00 0.00 H new ATOM 856 N LEU A 56 109.854 106.072 -31.252 1.00 0.00 N ATOM 857 CA LEU A 56 108.854 106.555 -30.305 1.00 0.00 C ATOM 858 C LEU A 56 109.078 105.956 -28.898 1.00 0.00 C ATOM 859 O LEU A 56 109.095 106.664 -27.900 1.00 0.00 O ATOM 860 CB LEU A 56 107.485 106.104 -30.824 1.00 0.00 C ATOM 861 CG LEU A 56 106.884 107.005 -31.908 1.00 0.00 C ATOM 862 CD1 LEU A 56 107.927 107.758 -32.733 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.019 106.169 -32.842 1.00 0.00 C ATOM 0 H LEU A 56 109.486 105.635 -32.097 1.00 0.00 H new ATOM 0 HA LEU A 56 108.922 107.640 -30.222 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.577 105.093 -31.221 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.791 106.056 -29.985 1.00 0.00 H new ATOM 0 HG LEU A 56 106.292 107.758 -31.387 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.425 108.374 -33.479 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.520 108.394 -32.076 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.581 107.043 -33.233 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.591 106.810 -33.613 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.630 105.397 -33.310 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.216 105.701 -32.273 1.00 0.00 H new ATOM 875 N ILE A 57 109.276 104.626 -28.875 1.00 0.00 N ATOM 876 CA ILE A 57 109.373 103.974 -27.576 1.00 0.00 C ATOM 877 C ILE A 57 110.576 104.490 -26.754 1.00 0.00 C ATOM 878 O ILE A 57 110.472 104.723 -25.554 1.00 0.00 O ATOM 879 CB ILE A 57 109.475 102.460 -27.773 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.271 101.924 -28.564 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.692 101.742 -26.437 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.308 101.052 -27.759 1.00 0.00 C ATOM 0 H ILE A 57 109.366 104.021 -29.691 1.00 0.00 H new ATOM 0 HA ILE A 57 108.473 104.215 -27.011 1.00 0.00 H new ATOM 0 HB ILE A 57 110.356 102.246 -28.378 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.717 102.770 -28.972 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.640 101.346 -29.411 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.761 100.668 -26.608 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.616 102.096 -25.979 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.854 101.951 -25.772 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.492 100.722 -28.402 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.840 100.183 -27.373 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.904 101.629 -26.927 1.00 0.00 H new ATOM 894 N LYS A 58 111.707 104.651 -27.467 1.00 0.00 N ATOM 895 CA LYS A 58 112.956 104.990 -26.801 1.00 0.00 C ATOM 896 C LYS A 58 112.970 106.445 -26.265 1.00 0.00 C ATOM 897 O LYS A 58 113.698 106.770 -25.336 1.00 0.00 O ATOM 898 CB LYS A 58 114.113 104.730 -27.771 1.00 0.00 C ATOM 899 CG LYS A 58 114.322 105.867 -28.768 1.00 0.00 C ATOM 900 CD LYS A 58 115.423 106.827 -28.320 1.00 0.00 C ATOM 901 CE LYS A 58 115.820 107.800 -29.429 1.00 0.00 C ATOM 902 NZ LYS A 58 116.263 107.116 -30.637 1.00 0.00 N ATOM 0 H LYS A 58 111.772 104.552 -28.480 1.00 0.00 H new ATOM 0 HA LYS A 58 113.067 104.357 -25.921 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.030 104.580 -27.202 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.922 103.806 -28.317 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.578 105.452 -29.743 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.389 106.417 -28.891 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.083 107.388 -27.450 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.298 106.256 -28.009 1.00 0.00 H new ATOM 0 HE2 LYS A 58 114.971 108.440 -29.668 1.00 0.00 H new ATOM 0 HE3 LYS A 58 116.618 108.450 -29.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 116.359 107.805 -31.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 117.182 106.662 -30.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 115.565 106.392 -30.902 1.00 0.00 H new ATOM 916 N LYS A 59 112.130 107.288 -26.902 1.00 0.00 N ATOM 917 CA LYS A 59 111.831 108.594 -26.346 1.00 0.00 C ATOM 918 C LYS A 59 110.892 108.475 -25.129 1.00 0.00 C ATOM 919 O LYS A 59 111.139 109.047 -24.074 1.00 0.00 O ATOM 920 CB LYS A 59 111.151 109.414 -27.440 1.00 0.00 C ATOM 921 CG LYS A 59 112.071 109.682 -28.629 1.00 0.00 C ATOM 922 CD LYS A 59 111.278 110.115 -29.861 1.00 0.00 C ATOM 923 CE LYS A 59 112.151 110.855 -30.875 1.00 0.00 C ATOM 924 NZ LYS A 59 113.379 110.130 -31.184 1.00 0.00 N ATOM 0 H LYS A 59 111.662 107.080 -27.784 1.00 0.00 H new ATOM 0 HA LYS A 59 112.751 109.072 -26.009 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.262 108.887 -27.785 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.817 110.364 -27.023 1.00 0.00 H new ATOM 0 HG2 LYS A 59 112.791 110.457 -28.367 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.642 108.782 -28.859 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.837 109.238 -30.335 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.454 110.759 -29.554 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.584 111.012 -31.793 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.403 111.841 -30.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 114.185 110.600 -30.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 113.302 109.153 -30.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.526 110.120 -32.213 1.00 0.00 H new ATOM 938 N GLY A 60 109.808 107.701 -25.343 1.00 0.00 N ATOM 939 CA GLY A 60 108.482 108.243 -25.180 1.00 0.00 C ATOM 940 C GLY A 60 108.201 109.204 -26.330 1.00 0.00 C ATOM 941 O GLY A 60 108.625 110.353 -26.330 1.00 0.00 O ATOM 0 H GLY A 60 109.842 106.721 -25.623 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.745 107.440 -25.170 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.401 108.763 -24.225 1.00 0.00 H new ATOM 945 N LEU A 61 107.462 108.647 -27.304 1.00 0.00 N ATOM 946 CA LEU A 61 106.075 108.317 -27.073 1.00 0.00 C ATOM 947 C LEU A 61 105.675 107.308 -28.143 1.00 0.00 C ATOM 948 O LEU A 61 105.332 107.645 -29.268 1.00 0.00 O ATOM 949 CB LEU A 61 105.261 109.593 -27.287 1.00 0.00 C ATOM 950 CG LEU A 61 105.692 110.422 -28.514 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.544 111.274 -29.025 1.00 0.00 C ATOM 952 CD2 LEU A 61 106.893 111.311 -28.210 1.00 0.00 C ATOM 0 H LEU A 61 107.808 108.425 -28.238 1.00 0.00 H new ATOM 0 HA LEU A 61 105.910 107.916 -26.073 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.210 109.326 -27.395 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.342 110.215 -26.396 1.00 0.00 H new ATOM 0 HG LEU A 61 105.983 109.710 -29.286 1.00 0.00 H new ATOM 0 HD11 LEU A 61 104.874 111.849 -29.890 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.713 110.630 -29.313 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.219 111.956 -28.239 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.162 111.877 -29.102 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.640 112.001 -27.405 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.736 110.691 -27.905 1.00 0.00 H new ATOM 964 N VAL A 62 105.720 106.042 -27.711 1.00 0.00 N ATOM 965 CA VAL A 62 104.588 105.198 -27.429 1.00 0.00 C ATOM 966 C VAL A 62 104.981 104.256 -26.284 1.00 0.00 C ATOM 967 O VAL A 62 106.144 103.902 -26.127 1.00 0.00 O ATOM 968 CB VAL A 62 104.222 104.436 -28.697 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.335 103.485 -29.126 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.904 103.696 -28.531 1.00 0.00 C ATOM 0 H VAL A 62 106.607 105.566 -27.544 1.00 0.00 H new ATOM 0 HA VAL A 62 103.714 105.773 -27.122 1.00 0.00 H new ATOM 0 HB VAL A 62 104.098 105.171 -29.492 1.00 0.00 H new ATOM 0 HG11 VAL A 62 105.036 102.961 -30.033 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.245 104.053 -29.319 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.521 102.761 -28.333 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.668 103.161 -29.451 1.00 0.00 H new ATOM 0 HG22 VAL A 62 102.987 102.985 -27.709 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.110 104.411 -28.313 1.00 0.00 H new ATOM 980 N GLU A 63 103.961 103.869 -25.499 1.00 0.00 N ATOM 981 CA GLU A 63 104.198 102.881 -24.452 1.00 0.00 C ATOM 982 C GLU A 63 103.597 101.526 -24.857 1.00 0.00 C ATOM 983 O GLU A 63 102.405 101.391 -25.103 1.00 0.00 O ATOM 984 CB GLU A 63 103.557 103.348 -23.149 1.00 0.00 C ATOM 985 CG GLU A 63 104.410 104.399 -22.439 1.00 0.00 C ATOM 986 CD GLU A 63 103.816 104.708 -21.064 1.00 0.00 C ATOM 987 OE1 GLU A 63 104.014 103.913 -20.146 1.00 0.00 O ATOM 988 OE2 GLU A 63 103.161 105.740 -20.926 1.00 0.00 O ATOM 0 H GLU A 63 103.003 104.213 -25.569 1.00 0.00 H new ATOM 0 HA GLU A 63 105.273 102.769 -24.312 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.570 103.762 -23.358 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.411 102.493 -22.489 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.433 104.037 -22.330 1.00 0.00 H new ATOM 0 HG3 GLU A 63 104.456 105.308 -23.038 1.00 0.00 H new ATOM 995 N LYS A 64 104.498 100.531 -24.895 1.00 0.00 N ATOM 996 CA LYS A 64 104.081 99.200 -25.278 1.00 0.00 C ATOM 997 C LYS A 64 103.445 98.488 -24.077 1.00 0.00 C ATOM 998 O LYS A 64 104.078 98.235 -23.060 1.00 0.00 O ATOM 999 CB LYS A 64 105.289 98.431 -25.803 1.00 0.00 C ATOM 1000 CG LYS A 64 104.973 96.956 -26.038 1.00 0.00 C ATOM 1001 CD LYS A 64 105.969 96.303 -26.996 1.00 0.00 C ATOM 1002 CE LYS A 64 107.176 95.721 -26.259 1.00 0.00 C ATOM 1003 NZ LYS A 64 108.301 95.467 -27.151 1.00 0.00 N ATOM 0 H LYS A 64 105.488 100.630 -24.670 1.00 0.00 H new ATOM 0 HA LYS A 64 103.333 99.254 -26.069 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.628 98.882 -26.736 1.00 0.00 H new ATOM 0 HB3 LYS A 64 106.110 98.516 -25.091 1.00 0.00 H new ATOM 0 HG2 LYS A 64 104.985 96.426 -25.085 1.00 0.00 H new ATOM 0 HG3 LYS A 64 103.965 96.861 -26.442 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.469 95.512 -27.554 1.00 0.00 H new ATOM 0 HD3 LYS A 64 106.309 97.040 -27.723 1.00 0.00 H new ATOM 0 HE2 LYS A 64 107.486 96.411 -25.474 1.00 0.00 H new ATOM 0 HE3 LYS A 64 106.886 94.791 -25.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 109.094 95.073 -26.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.015 94.789 -27.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.597 96.358 -27.599 1.00 0.00 H new ATOM 1017 N SER A 65 102.148 98.192 -24.282 1.00 0.00 N ATOM 1018 CA SER A 65 101.355 97.549 -23.244 1.00 0.00 C ATOM 1019 C SER A 65 100.968 96.141 -23.707 1.00 0.00 C ATOM 1020 O SER A 65 100.106 95.969 -24.559 1.00 0.00 O ATOM 1021 CB SER A 65 100.060 98.357 -23.050 1.00 0.00 C ATOM 1022 OG SER A 65 99.107 97.789 -22.158 1.00 0.00 O ATOM 0 H SER A 65 101.643 98.388 -25.146 1.00 0.00 H new ATOM 0 HA SER A 65 101.928 97.499 -22.318 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.324 99.350 -22.687 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.586 98.489 -24.023 1.00 0.00 H new ATOM 0 HG SER A 65 98.371 97.396 -22.672 1.00 0.00 H new ATOM 1028 N GLY A 66 101.639 95.151 -23.088 1.00 0.00 N ATOM 1029 CA GLY A 66 102.181 94.075 -23.901 1.00 0.00 C ATOM 1030 C GLY A 66 101.186 92.919 -24.001 1.00 0.00 C ATOM 1031 O GLY A 66 101.099 92.064 -23.127 1.00 0.00 O ATOM 0 H GLY A 66 101.807 95.082 -22.084 1.00 0.00 H new ATOM 0 HA2 GLY A 66 102.414 94.448 -24.898 1.00 0.00 H new ATOM 0 HA3 GLY A 66 103.116 93.720 -23.467 1.00 0.00 H new ATOM 1035 N ASP A 67 100.445 92.952 -25.123 1.00 0.00 N ATOM 1036 CA ASP A 67 101.061 92.761 -26.432 1.00 0.00 C ATOM 1037 C ASP A 67 101.347 94.101 -27.143 1.00 0.00 C ATOM 1038 O ASP A 67 102.403 94.288 -27.737 1.00 0.00 O ATOM 1039 CB ASP A 67 100.144 91.901 -27.302 1.00 0.00 C ATOM 1040 CG ASP A 67 100.293 90.428 -26.914 1.00 0.00 C ATOM 1041 OD1 ASP A 67 101.426 89.977 -26.747 1.00 0.00 O ATOM 1042 OD2 ASP A 67 99.276 89.750 -26.786 1.00 0.00 O ATOM 0 H ASP A 67 99.437 93.107 -25.143 1.00 0.00 H new ATOM 0 HA ASP A 67 102.018 92.262 -26.280 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.108 92.216 -27.177 1.00 0.00 H new ATOM 0 HB3 ASP A 67 100.394 92.036 -28.354 1.00 0.00 H new ATOM 1047 N GLY A 68 100.356 95.012 -27.049 1.00 0.00 N ATOM 1048 CA GLY A 68 100.112 95.971 -28.105 1.00 0.00 C ATOM 1049 C GLY A 68 100.506 97.365 -27.634 1.00 0.00 C ATOM 1050 O GLY A 68 100.626 97.641 -26.447 1.00 0.00 O ATOM 0 H GLY A 68 99.725 95.090 -26.252 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.684 95.702 -28.993 1.00 0.00 H new ATOM 0 HA3 GLY A 68 99.059 95.956 -28.387 1.00 0.00 H new ATOM 1054 N LEU A 69 100.698 98.222 -28.652 1.00 0.00 N ATOM 1055 CA LEU A 69 101.386 99.474 -28.416 1.00 0.00 C ATOM 1056 C LEU A 69 100.317 100.540 -28.188 1.00 0.00 C ATOM 1057 O LEU A 69 99.295 100.563 -28.861 1.00 0.00 O ATOM 1058 CB LEU A 69 102.283 99.788 -29.620 1.00 0.00 C ATOM 1059 CG LEU A 69 103.250 98.642 -29.953 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.489 99.181 -30.655 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.676 97.818 -28.735 1.00 0.00 C ATOM 0 H LEU A 69 100.392 98.066 -29.613 1.00 0.00 H new ATOM 0 HA LEU A 69 102.034 99.432 -27.540 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.659 99.995 -30.489 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.855 100.693 -29.416 1.00 0.00 H new ATOM 0 HG LEU A 69 102.698 97.971 -30.611 1.00 0.00 H new ATOM 0 HD11 LEU A 69 105.165 98.357 -30.884 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.196 99.678 -31.580 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.995 99.894 -30.004 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.358 97.028 -29.050 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.178 98.465 -28.015 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.796 97.373 -28.271 1.00 0.00 H new ATOM 1073 N ILE A 70 100.592 101.400 -27.188 1.00 0.00 N ATOM 1074 CA ILE A 70 99.646 102.476 -26.961 1.00 0.00 C ATOM 1075 C ILE A 70 100.354 103.651 -26.307 1.00 0.00 C ATOM 1076 O ILE A 70 101.302 103.498 -25.551 1.00 0.00 O ATOM 1077 CB ILE A 70 98.534 102.013 -26.026 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.082 101.460 -24.717 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.661 100.965 -26.694 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.004 101.478 -23.634 1.00 0.00 C ATOM 0 H ILE A 70 101.404 101.369 -26.572 1.00 0.00 H new ATOM 0 HA ILE A 70 99.225 102.771 -27.922 1.00 0.00 H new ATOM 0 HB ILE A 70 97.931 102.892 -25.799 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.438 100.441 -24.867 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.938 102.053 -24.395 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.876 100.652 -26.005 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.209 101.387 -27.592 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.270 100.103 -26.965 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.414 101.079 -22.706 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.668 102.502 -23.472 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.160 100.865 -23.951 1.00 0.00 H new ATOM 1092 N ILE A 71 99.823 104.836 -26.631 1.00 0.00 N ATOM 1093 CA ILE A 71 100.693 105.994 -26.587 1.00 0.00 C ATOM 1094 C ILE A 71 100.557 106.696 -25.238 1.00 0.00 C ATOM 1095 O ILE A 71 99.531 106.630 -24.572 1.00 0.00 O ATOM 1096 CB ILE A 71 100.331 106.931 -27.730 1.00 0.00 C ATOM 1097 CG1 ILE A 71 98.873 107.389 -27.601 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.648 106.258 -29.069 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.443 108.411 -28.652 1.00 0.00 C ATOM 0 H ILE A 71 98.856 105.006 -26.909 1.00 0.00 H new ATOM 0 HA ILE A 71 101.732 105.684 -26.701 1.00 0.00 H new ATOM 0 HB ILE A 71 100.936 107.836 -27.683 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.222 106.517 -27.671 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.725 107.819 -26.610 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.388 106.932 -29.885 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.712 106.025 -29.116 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.071 105.338 -29.160 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.400 108.682 -28.490 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.066 109.301 -28.570 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.556 107.980 -29.647 1.00 0.00 H new ATOM 1111 N THR A 72 101.667 107.371 -24.889 1.00 0.00 N ATOM 1112 CA THR A 72 101.659 108.135 -23.650 1.00 0.00 C ATOM 1113 C THR A 72 100.902 109.444 -23.874 1.00 0.00 C ATOM 1114 O THR A 72 100.565 109.824 -24.988 1.00 0.00 O ATOM 1115 CB THR A 72 103.084 108.399 -23.095 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.260 109.687 -22.551 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.229 108.142 -24.083 1.00 0.00 C ATOM 0 H THR A 72 102.536 107.399 -25.423 1.00 0.00 H new ATOM 0 HA THR A 72 101.151 107.540 -22.891 1.00 0.00 H new ATOM 0 HB THR A 72 103.145 107.655 -22.300 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.214 109.849 -22.396 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.182 108.356 -23.599 1.00 0.00 H new ATOM 0 HG22 THR A 72 104.209 107.099 -24.400 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.111 108.788 -24.953 1.00 0.00 H new ATOM 1125 N GLY A 73 100.665 110.100 -22.725 1.00 0.00 N ATOM 1126 CA GLY A 73 100.120 111.447 -22.794 1.00 0.00 C ATOM 1127 C GLY A 73 100.931 112.404 -23.701 1.00 0.00 C ATOM 1128 O GLY A 73 100.383 113.364 -24.230 1.00 0.00 O ATOM 0 H GLY A 73 100.835 109.735 -21.788 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.095 111.396 -23.161 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.078 111.864 -21.788 1.00 0.00 H new ATOM 1132 N GLU A 74 102.245 112.112 -23.864 1.00 0.00 N ATOM 1133 CA GLU A 74 103.016 112.970 -24.757 1.00 0.00 C ATOM 1134 C GLU A 74 102.430 112.962 -26.181 1.00 0.00 C ATOM 1135 O GLU A 74 102.145 114.006 -26.754 1.00 0.00 O ATOM 1136 CB GLU A 74 104.488 112.547 -24.803 1.00 0.00 C ATOM 1137 CG GLU A 74 105.277 113.040 -23.592 1.00 0.00 C ATOM 1138 CD GLU A 74 104.733 112.419 -22.304 1.00 0.00 C ATOM 1139 OE1 GLU A 74 105.154 111.316 -21.961 1.00 0.00 O ATOM 1140 OE2 GLU A 74 103.894 113.047 -21.660 1.00 0.00 O ATOM 0 H GLU A 74 102.751 111.346 -23.420 1.00 0.00 H new ATOM 0 HA GLU A 74 102.956 113.983 -24.358 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.549 111.460 -24.854 1.00 0.00 H new ATOM 0 HB3 GLU A 74 104.946 112.935 -25.713 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.330 112.784 -23.709 1.00 0.00 H new ATOM 0 HG3 GLU A 74 105.218 114.127 -23.531 1.00 0.00 H new ATOM 1147 N ALA A 75 102.247 111.730 -26.700 1.00 0.00 N ATOM 1148 CA ALA A 75 101.600 111.595 -27.998 1.00 0.00 C ATOM 1149 C ALA A 75 100.203 112.232 -27.999 1.00 0.00 C ATOM 1150 O ALA A 75 99.872 113.008 -28.882 1.00 0.00 O ATOM 1151 CB ALA A 75 101.485 110.113 -28.368 1.00 0.00 C ATOM 0 H ALA A 75 102.528 110.856 -26.255 1.00 0.00 H new ATOM 0 HA ALA A 75 102.213 112.116 -28.733 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.000 110.017 -29.340 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.480 109.671 -28.414 1.00 0.00 H new ATOM 0 HB3 ALA A 75 100.892 109.595 -27.614 1.00 0.00 H new ATOM 1157 N GLN A 76 99.421 111.893 -26.961 1.00 0.00 N ATOM 1158 CA GLN A 76 98.025 112.307 -26.970 1.00 0.00 C ATOM 1159 C GLN A 76 97.847 113.833 -27.170 1.00 0.00 C ATOM 1160 O GLN A 76 96.907 114.275 -27.822 1.00 0.00 O ATOM 1161 CB GLN A 76 97.404 111.888 -25.641 1.00 0.00 C ATOM 1162 CG GLN A 76 97.057 110.400 -25.612 1.00 0.00 C ATOM 1163 CD GLN A 76 96.646 109.989 -24.196 1.00 0.00 C ATOM 1164 OE1 GLN A 76 97.370 109.299 -23.487 1.00 0.00 O ATOM 1165 NE2 GLN A 76 95.439 110.461 -23.841 1.00 0.00 N ATOM 0 H GLN A 76 99.720 111.359 -26.145 1.00 0.00 H new ATOM 0 HA GLN A 76 97.532 111.826 -27.815 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.097 112.114 -24.830 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.502 112.474 -25.462 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.246 110.193 -26.310 1.00 0.00 H new ATOM 0 HG3 GLN A 76 97.915 109.811 -25.937 1.00 0.00 H new ATOM 0 HE21 GLN A 76 94.901 111.030 -24.495 1.00 0.00 H new ATOM 0 HE22 GLN A 76 95.061 110.251 -22.917 1.00 0.00 H new ATOM 1174 N ASP A 77 98.785 114.603 -26.585 1.00 0.00 N ATOM 1175 CA ASP A 77 98.785 116.036 -26.821 1.00 0.00 C ATOM 1176 C ASP A 77 99.128 116.362 -28.286 1.00 0.00 C ATOM 1177 O ASP A 77 98.486 117.191 -28.920 1.00 0.00 O ATOM 1178 CB ASP A 77 99.805 116.698 -25.894 1.00 0.00 C ATOM 1179 CG ASP A 77 99.444 118.169 -25.684 1.00 0.00 C ATOM 1180 OD1 ASP A 77 99.647 118.961 -26.603 1.00 0.00 O ATOM 1181 OD2 ASP A 77 98.963 118.506 -24.603 1.00 0.00 O ATOM 0 H ASP A 77 99.523 114.261 -25.969 1.00 0.00 H new ATOM 0 HA ASP A 77 97.786 116.420 -26.616 1.00 0.00 H new ATOM 0 HB2 ASP A 77 99.827 116.180 -24.935 1.00 0.00 H new ATOM 0 HB3 ASP A 77 100.804 116.618 -26.323 1.00 0.00 H new ATOM 1186 N ILE A 78 100.171 115.662 -28.780 1.00 0.00 N ATOM 1187 CA ILE A 78 100.637 115.932 -30.125 1.00 0.00 C ATOM 1188 C ILE A 78 99.549 115.615 -31.169 1.00 0.00 C ATOM 1189 O ILE A 78 99.300 116.400 -32.074 1.00 0.00 O ATOM 1190 CB ILE A 78 101.884 115.069 -30.365 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.067 115.458 -29.463 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.310 115.047 -31.837 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.009 116.881 -28.895 1.00 0.00 C ATOM 0 H ILE A 78 100.680 114.935 -28.277 1.00 0.00 H new ATOM 0 HA ILE A 78 100.876 116.990 -30.230 1.00 0.00 H new ATOM 0 HB ILE A 78 101.587 114.057 -30.090 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.118 114.754 -28.633 1.00 0.00 H new ATOM 0 HG13 ILE A 78 103.990 115.348 -30.032 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.196 114.422 -31.950 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.501 114.642 -32.444 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.537 116.061 -32.165 1.00 0.00 H new ATOM 0 HD11 ILE A 78 103.886 117.060 -28.273 1.00 0.00 H new ATOM 0 HD12 ILE A 78 102.993 117.599 -29.715 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.107 116.996 -28.293 1.00 0.00 H new ATOM 1205 N ILE A 79 98.936 114.428 -31.004 1.00 0.00 N ATOM 1206 CA ILE A 79 97.952 113.989 -31.974 1.00 0.00 C ATOM 1207 C ILE A 79 96.717 114.905 -31.995 1.00 0.00 C ATOM 1208 O ILE A 79 96.239 115.294 -33.053 1.00 0.00 O ATOM 1209 CB ILE A 79 97.477 112.583 -31.602 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.618 111.593 -31.352 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.502 112.057 -32.650 1.00 0.00 C ATOM 1212 CD1 ILE A 79 99.862 111.869 -32.194 1.00 0.00 C ATOM 0 H ILE A 79 99.106 113.784 -30.231 1.00 0.00 H new ATOM 0 HA ILE A 79 98.427 114.011 -32.955 1.00 0.00 H new ATOM 0 HB ILE A 79 96.959 112.673 -30.647 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.890 111.623 -30.297 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.264 110.583 -31.561 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.173 111.056 -32.371 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.638 112.719 -32.708 1.00 0.00 H new ATOM 0 HG23 ILE A 79 96.997 112.019 -33.621 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.628 111.129 -31.964 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.606 111.810 -33.252 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.241 112.866 -31.968 1.00 0.00 H new ATOM 1224 N SER A 80 96.225 115.219 -30.780 1.00 0.00 N ATOM 1225 CA SER A 80 95.066 116.096 -30.717 1.00 0.00 C ATOM 1226 C SER A 80 95.342 117.466 -31.364 1.00 0.00 C ATOM 1227 O SER A 80 94.556 117.964 -32.161 1.00 0.00 O ATOM 1228 CB SER A 80 94.672 116.279 -29.244 1.00 0.00 C ATOM 1229 OG SER A 80 94.661 115.092 -28.461 1.00 0.00 O ATOM 0 H SER A 80 96.593 114.896 -29.885 1.00 0.00 H new ATOM 0 HA SER A 80 94.252 115.637 -31.278 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.362 116.988 -28.787 1.00 0.00 H new ATOM 0 HB3 SER A 80 93.680 116.729 -29.205 1.00 0.00 H new ATOM 0 HG SER A 80 95.502 115.021 -27.963 1.00 0.00 H new ATOM 1235 N ASN A 81 96.502 118.034 -30.984 1.00 0.00 N ATOM 1236 CA ASN A 81 96.848 119.324 -31.562 1.00 0.00 C ATOM 1237 C ASN A 81 97.072 119.222 -33.084 1.00 0.00 C ATOM 1238 O ASN A 81 96.592 120.044 -33.854 1.00 0.00 O ATOM 1239 CB ASN A 81 98.111 119.868 -30.891 1.00 0.00 C ATOM 1240 CG ASN A 81 98.102 121.397 -30.933 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.772 122.025 -31.744 1.00 0.00 O ATOM 1242 ND2 ASN A 81 97.300 121.944 -30.004 1.00 0.00 N ATOM 0 H ASN A 81 97.171 117.643 -30.321 1.00 0.00 H new ATOM 0 HA ASN A 81 96.014 120.004 -31.390 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.162 119.524 -29.858 1.00 0.00 H new ATOM 0 HB3 ASN A 81 98.997 119.486 -31.399 1.00 0.00 H new ATOM 0 HD21 ASN A 81 97.215 122.958 -29.937 1.00 0.00 H new ATOM 0 HD22 ASN A 81 96.776 121.345 -29.366 1.00 0.00 H new ATOM 1249 N ALA A 82 97.825 118.172 -33.467 1.00 0.00 N ATOM 1250 CA ALA A 82 98.214 118.052 -34.861 1.00 0.00 C ATOM 1251 C ALA A 82 97.010 117.801 -35.785 1.00 0.00 C ATOM 1252 O ALA A 82 96.907 118.384 -36.855 1.00 0.00 O ATOM 1253 CB ALA A 82 99.211 116.914 -35.028 1.00 0.00 C ATOM 0 H ALA A 82 98.158 117.430 -32.851 1.00 0.00 H new ATOM 0 HA ALA A 82 98.667 119.001 -35.147 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.497 116.832 -36.077 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.097 117.115 -34.425 1.00 0.00 H new ATOM 0 HB3 ALA A 82 98.754 115.979 -34.702 1.00 0.00 H new ATOM 1259 N ALA A 83 96.119 116.897 -35.338 1.00 0.00 N ATOM 1260 CA ALA A 83 94.938 116.639 -36.149 1.00 0.00 C ATOM 1261 C ALA A 83 94.120 117.922 -36.414 1.00 0.00 C ATOM 1262 O ALA A 83 93.594 118.122 -37.503 1.00 0.00 O ATOM 1263 CB ALA A 83 94.062 115.588 -35.465 1.00 0.00 C ATOM 0 H ALA A 83 96.193 116.366 -34.470 1.00 0.00 H new ATOM 0 HA ALA A 83 95.276 116.266 -37.116 1.00 0.00 H new ATOM 0 HB1 ALA A 83 93.179 115.398 -36.075 1.00 0.00 H new ATOM 0 HB2 ALA A 83 94.628 114.664 -35.347 1.00 0.00 H new ATOM 0 HB3 ALA A 83 93.754 115.953 -34.485 1.00 0.00 H new ATOM 1269 N THR A 84 94.043 118.766 -35.365 1.00 0.00 N ATOM 1270 CA THR A 84 93.510 120.104 -35.576 1.00 0.00 C ATOM 1271 C THR A 84 94.362 120.931 -36.572 1.00 0.00 C ATOM 1272 O THR A 84 93.819 121.687 -37.366 1.00 0.00 O ATOM 1273 CB THR A 84 93.437 120.823 -34.219 1.00 0.00 C ATOM 1274 OG1 THR A 84 92.654 120.109 -33.281 1.00 0.00 O ATOM 1275 CG2 THR A 84 93.027 122.299 -34.361 1.00 0.00 C ATOM 0 H THR A 84 94.331 118.550 -34.411 1.00 0.00 H new ATOM 0 HA THR A 84 92.517 120.010 -36.016 1.00 0.00 H new ATOM 0 HB THR A 84 94.447 120.840 -33.811 1.00 0.00 H new ATOM 0 HG1 THR A 84 93.195 119.399 -32.877 1.00 0.00 H new ATOM 0 HG21 THR A 84 92.990 122.763 -33.375 1.00 0.00 H new ATOM 0 HG22 THR A 84 93.756 122.821 -34.980 1.00 0.00 H new ATOM 0 HG23 THR A 84 92.044 122.360 -34.828 1.00 0.00 H new ATOM 1283 N LEU A 85 95.699 120.767 -36.496 1.00 0.00 N ATOM 1284 CA LEU A 85 96.549 121.472 -37.445 1.00 0.00 C ATOM 1285 C LEU A 85 96.329 121.039 -38.914 1.00 0.00 C ATOM 1286 O LEU A 85 96.420 121.842 -39.834 1.00 0.00 O ATOM 1287 CB LEU A 85 98.007 121.270 -37.044 1.00 0.00 C ATOM 1288 CG LEU A 85 98.329 122.010 -35.752 1.00 0.00 C ATOM 1289 CD1 LEU A 85 99.670 121.558 -35.173 1.00 0.00 C ATOM 1290 CD2 LEU A 85 98.309 123.520 -35.984 1.00 0.00 C ATOM 0 H LEU A 85 96.184 120.180 -35.818 1.00 0.00 H new ATOM 0 HA LEU A 85 96.279 122.527 -37.404 1.00 0.00 H new ATOM 0 HB2 LEU A 85 98.208 120.206 -36.917 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.659 121.625 -37.842 1.00 0.00 H new ATOM 0 HG LEU A 85 97.560 121.766 -35.019 1.00 0.00 H new ATOM 0 HD11 LEU A 85 99.871 122.104 -34.252 1.00 0.00 H new ATOM 0 HD12 LEU A 85 99.633 120.490 -34.961 1.00 0.00 H new ATOM 0 HD13 LEU A 85 100.463 121.757 -35.894 1.00 0.00 H new ATOM 0 HD21 LEU A 85 98.541 124.034 -35.051 1.00 0.00 H new ATOM 0 HD22 LEU A 85 99.052 123.782 -36.738 1.00 0.00 H new ATOM 0 HD23 LEU A 85 97.320 123.822 -36.329 1.00 0.00 H new ATOM 1302 N TYR A 86 96.060 119.731 -39.080 1.00 0.00 N ATOM 1303 CA TYR A 86 95.391 119.232 -40.272 1.00 0.00 C ATOM 1304 C TYR A 86 94.041 119.965 -40.482 1.00 0.00 C ATOM 1305 O TYR A 86 93.753 120.460 -41.566 1.00 0.00 O ATOM 1306 CB TYR A 86 95.392 117.672 -40.214 1.00 0.00 C ATOM 1307 CG TYR A 86 94.096 116.927 -40.472 1.00 0.00 C ATOM 1308 CD1 TYR A 86 93.288 117.255 -41.585 1.00 0.00 C ATOM 1309 CD2 TYR A 86 93.675 115.868 -39.626 1.00 0.00 C ATOM 1310 CE1 TYR A 86 92.070 116.578 -41.835 1.00 0.00 C ATOM 1311 CE2 TYR A 86 92.457 115.184 -39.863 1.00 0.00 C ATOM 1312 CZ TYR A 86 91.650 115.542 -40.968 1.00 0.00 C ATOM 1313 OH TYR A 86 90.460 114.884 -41.200 1.00 0.00 O ATOM 0 H TYR A 86 96.299 119.010 -38.399 1.00 0.00 H new ATOM 0 HA TYR A 86 95.917 119.468 -41.197 1.00 0.00 H new ATOM 0 HB2 TYR A 86 96.126 117.316 -40.937 1.00 0.00 H new ATOM 0 HB3 TYR A 86 95.749 117.379 -39.227 1.00 0.00 H new ATOM 0 HD1 TYR A 86 93.606 118.038 -42.258 1.00 0.00 H new ATOM 0 HD2 TYR A 86 94.293 115.579 -38.789 1.00 0.00 H new ATOM 0 HE1 TYR A 86 91.463 116.852 -42.685 1.00 0.00 H new ATOM 0 HE2 TYR A 86 92.145 114.390 -39.201 1.00 0.00 H new ATOM 0 HH TYR A 86 90.324 114.201 -40.511 1.00 0.00 H new ATOM 1323 N ALA A 87 93.244 120.005 -39.398 1.00 0.00 N ATOM 1324 CA ALA A 87 91.884 120.504 -39.543 1.00 0.00 C ATOM 1325 C ALA A 87 91.836 121.935 -40.118 1.00 0.00 C ATOM 1326 O ALA A 87 90.987 122.248 -40.942 1.00 0.00 O ATOM 1327 CB ALA A 87 91.178 120.456 -38.189 1.00 0.00 C ATOM 0 H ALA A 87 93.510 119.711 -38.458 1.00 0.00 H new ATOM 0 HA ALA A 87 91.371 119.860 -40.257 1.00 0.00 H new ATOM 0 HB1 ALA A 87 90.160 120.829 -38.296 1.00 0.00 H new ATOM 0 HB2 ALA A 87 91.151 119.428 -37.829 1.00 0.00 H new ATOM 0 HB3 ALA A 87 91.719 121.077 -37.475 1.00 0.00 H new ATOM 1333 N GLN A 88 92.773 122.786 -39.651 1.00 0.00 N ATOM 1334 CA GLN A 88 92.817 124.129 -40.228 1.00 0.00 C ATOM 1335 C GLN A 88 92.977 124.111 -41.766 1.00 0.00 C ATOM 1336 O GLN A 88 92.361 124.897 -42.477 1.00 0.00 O ATOM 1337 CB GLN A 88 93.916 124.976 -39.585 1.00 0.00 C ATOM 1338 CG GLN A 88 95.236 124.223 -39.511 1.00 0.00 C ATOM 1339 CD GLN A 88 96.369 125.128 -39.020 1.00 0.00 C ATOM 1340 OE1 GLN A 88 96.152 126.138 -38.361 1.00 0.00 O ATOM 1341 NE2 GLN A 88 97.586 124.691 -39.391 1.00 0.00 N ATOM 0 H GLN A 88 93.461 122.582 -38.927 1.00 0.00 H new ATOM 0 HA GLN A 88 91.852 124.587 -40.009 1.00 0.00 H new ATOM 0 HB2 GLN A 88 94.052 125.893 -40.159 1.00 0.00 H new ATOM 0 HB3 GLN A 88 93.608 125.271 -38.582 1.00 0.00 H new ATOM 0 HG2 GLN A 88 95.133 123.370 -38.840 1.00 0.00 H new ATOM 0 HG3 GLN A 88 95.486 123.826 -40.495 1.00 0.00 H new ATOM 0 HE21 GLN A 88 97.675 123.837 -39.941 1.00 0.00 H new ATOM 0 HE22 GLN A 88 98.419 125.214 -39.122 1.00 0.00 H new ATOM 1350 N GLU A 89 93.833 123.176 -42.228 1.00 0.00 N ATOM 1351 CA GLU A 89 94.546 123.340 -43.487 1.00 0.00 C ATOM 1352 C GLU A 89 93.930 122.482 -44.611 1.00 0.00 C ATOM 1353 O GLU A 89 93.801 122.934 -45.742 1.00 0.00 O ATOM 1354 CB GLU A 89 96.012 122.966 -43.276 1.00 0.00 C ATOM 1355 CG GLU A 89 96.813 124.143 -42.713 1.00 0.00 C ATOM 1356 CD GLU A 89 97.620 124.833 -43.817 1.00 0.00 C ATOM 1357 OE1 GLU A 89 97.082 125.022 -44.907 1.00 0.00 O ATOM 1358 OE2 GLU A 89 98.777 125.174 -43.573 1.00 0.00 O ATOM 0 H GLU A 89 94.039 122.304 -41.740 1.00 0.00 H new ATOM 0 HA GLU A 89 94.465 124.381 -43.799 1.00 0.00 H new ATOM 0 HB2 GLU A 89 96.078 122.119 -42.593 1.00 0.00 H new ATOM 0 HB3 GLU A 89 96.448 122.647 -44.223 1.00 0.00 H new ATOM 0 HG2 GLU A 89 96.136 124.860 -42.250 1.00 0.00 H new ATOM 0 HG3 GLU A 89 97.486 123.790 -41.932 1.00 0.00 H new ATOM 1365 N ASN A 90 93.559 121.234 -44.250 1.00 0.00 N ATOM 1366 CA ASN A 90 92.482 120.614 -45.009 1.00 0.00 C ATOM 1367 C ASN A 90 91.182 121.408 -44.825 1.00 0.00 C ATOM 1368 O ASN A 90 90.641 121.991 -45.757 1.00 0.00 O ATOM 1369 CB ASN A 90 92.268 119.172 -44.548 1.00 0.00 C ATOM 1370 CG ASN A 90 93.183 118.213 -45.315 1.00 0.00 C ATOM 1371 OD1 ASN A 90 93.524 118.426 -46.473 1.00 0.00 O ATOM 1372 ND2 ASN A 90 93.550 117.148 -44.582 1.00 0.00 N ATOM 0 H ASN A 90 93.961 120.680 -43.494 1.00 0.00 H new ATOM 0 HA ASN A 90 92.759 120.614 -46.063 1.00 0.00 H new ATOM 0 HB2 ASN A 90 92.467 119.094 -43.479 1.00 0.00 H new ATOM 0 HB3 ASN A 90 91.227 118.888 -44.700 1.00 0.00 H new ATOM 0 HD21 ASN A 90 94.161 116.437 -44.985 1.00 0.00 H new ATOM 0 HD22 ASN A 90 93.218 117.050 -43.622 1.00 0.00 H new ATOM 1379 N ALA A 91 90.727 121.381 -43.557 1.00 0.00 N ATOM 1380 CA ALA A 91 89.392 121.869 -43.255 1.00 0.00 C ATOM 1381 C ALA A 91 88.332 121.154 -44.104 1.00 0.00 C ATOM 1382 O ALA A 91 87.892 121.650 -45.135 1.00 0.00 O ATOM 1383 CB ALA A 91 89.344 123.375 -43.498 1.00 0.00 C ATOM 0 H ALA A 91 91.255 121.035 -42.756 1.00 0.00 H new ATOM 0 HA ALA A 91 89.169 121.659 -42.209 1.00 0.00 H new ATOM 0 HB1 ALA A 91 88.345 123.748 -43.273 1.00 0.00 H new ATOM 0 HB2 ALA A 91 90.070 123.871 -42.854 1.00 0.00 H new ATOM 0 HB3 ALA A 91 89.583 123.583 -44.541 1.00 0.00 H new ATOM 1389 N PRO A 92 87.943 119.957 -43.608 1.00 0.00 N ATOM 1390 CA PRO A 92 86.701 119.320 -44.007 1.00 0.00 C ATOM 1391 C PRO A 92 85.503 119.868 -43.216 1.00 0.00 C ATOM 1392 O PRO A 92 85.528 119.950 -41.994 1.00 0.00 O ATOM 1393 CB PRO A 92 86.903 117.835 -43.670 1.00 0.00 C ATOM 1394 CG PRO A 92 88.139 117.748 -42.764 1.00 0.00 C ATOM 1395 CD PRO A 92 88.776 119.139 -42.743 1.00 0.00 C ATOM 0 HA PRO A 92 86.485 119.499 -45.060 1.00 0.00 H new ATOM 0 HB2 PRO A 92 86.025 117.431 -43.166 1.00 0.00 H new ATOM 0 HB3 PRO A 92 87.047 117.249 -44.578 1.00 0.00 H new ATOM 0 HG2 PRO A 92 87.859 117.437 -41.758 1.00 0.00 H new ATOM 0 HG3 PRO A 92 88.843 117.007 -43.142 1.00 0.00 H new ATOM 0 HD2 PRO A 92 88.806 119.542 -41.731 1.00 0.00 H new ATOM 0 HD3 PRO A 92 89.804 119.106 -43.104 1.00 0.00 H new ATOM 1403 N GLU A 93 84.461 120.235 -43.988 1.00 0.00 N ATOM 1404 CA GLU A 93 84.494 121.569 -44.549 1.00 0.00 C ATOM 1405 C GLU A 93 84.327 122.599 -43.429 1.00 0.00 C ATOM 1406 O GLU A 93 83.468 122.487 -42.563 1.00 0.00 O ATOM 1407 CB GLU A 93 83.384 121.749 -45.578 1.00 0.00 C ATOM 1408 CG GLU A 93 83.553 120.809 -46.769 1.00 0.00 C ATOM 1409 CD GLU A 93 84.920 121.019 -47.424 1.00 0.00 C ATOM 1410 OE1 GLU A 93 85.321 122.170 -47.589 1.00 0.00 O ATOM 1411 OE2 GLU A 93 85.568 120.030 -47.760 1.00 0.00 O ATOM 0 H GLU A 93 83.648 119.663 -44.217 1.00 0.00 H new ATOM 0 HA GLU A 93 85.454 121.715 -45.045 1.00 0.00 H new ATOM 0 HB2 GLU A 93 82.419 121.567 -45.106 1.00 0.00 H new ATOM 0 HB3 GLU A 93 83.378 122.781 -45.928 1.00 0.00 H new ATOM 0 HG2 GLU A 93 83.455 119.774 -46.441 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.762 120.989 -47.497 1.00 0.00 H new ATOM 1418 N LEU A 94 85.213 123.605 -43.517 1.00 0.00 N ATOM 1419 CA LEU A 94 85.677 124.272 -42.313 1.00 0.00 C ATOM 1420 C LEU A 94 86.063 125.724 -42.642 1.00 0.00 C ATOM 1421 O LEU A 94 85.542 126.679 -42.080 1.00 0.00 O ATOM 1422 CB LEU A 94 86.870 123.500 -41.727 1.00 0.00 C ATOM 1423 CG LEU A 94 86.596 123.001 -40.312 1.00 0.00 C ATOM 1424 CD1 LEU A 94 87.664 121.984 -39.915 1.00 0.00 C ATOM 1425 CD2 LEU A 94 86.542 124.161 -39.317 1.00 0.00 C ATOM 0 H LEU A 94 85.607 123.959 -44.389 1.00 0.00 H new ATOM 0 HA LEU A 94 84.881 124.292 -41.569 1.00 0.00 H new ATOM 0 HB2 LEU A 94 87.103 122.652 -42.371 1.00 0.00 H new ATOM 0 HB3 LEU A 94 87.749 124.145 -41.719 1.00 0.00 H new ATOM 0 HG LEU A 94 85.620 122.515 -40.292 1.00 0.00 H new ATOM 0 HD11 LEU A 94 87.469 121.627 -38.904 1.00 0.00 H new ATOM 0 HD12 LEU A 94 87.641 121.143 -40.608 1.00 0.00 H new ATOM 0 HD13 LEU A 94 88.646 122.455 -39.950 1.00 0.00 H new ATOM 0 HD21 LEU A 94 86.345 123.774 -38.317 1.00 0.00 H new ATOM 0 HD22 LEU A 94 87.496 124.688 -39.321 1.00 0.00 H new ATOM 0 HD23 LEU A 94 85.746 124.849 -39.603 1.00 0.00 H new ATOM 1437 N LEU A 95 87.012 125.807 -43.592 1.00 0.00 N ATOM 1438 CA LEU A 95 87.844 126.994 -43.668 1.00 0.00 C ATOM 1439 C LEU A 95 88.538 127.062 -45.036 1.00 0.00 C ATOM 1440 O LEU A 95 88.319 127.979 -45.818 1.00 0.00 O ATOM 1441 CB LEU A 95 88.862 126.976 -42.520 1.00 0.00 C ATOM 1442 CG LEU A 95 90.025 127.957 -42.708 1.00 0.00 C ATOM 1443 CD1 LEU A 95 89.553 129.272 -43.331 1.00 0.00 C ATOM 1444 CD2 LEU A 95 90.737 128.213 -41.379 1.00 0.00 C ATOM 0 H LEU A 95 87.209 125.088 -44.289 1.00 0.00 H new ATOM 0 HA LEU A 95 87.227 127.887 -43.565 1.00 0.00 H new ATOM 0 HB2 LEU A 95 88.348 127.211 -41.588 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.263 125.967 -42.418 1.00 0.00 H new ATOM 0 HG LEU A 95 90.735 127.500 -43.398 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.403 129.944 -43.450 1.00 0.00 H new ATOM 0 HD12 LEU A 95 89.108 129.074 -44.306 1.00 0.00 H new ATOM 0 HD13 LEU A 95 88.811 129.737 -42.681 1.00 0.00 H new ATOM 0 HD21 LEU A 95 91.559 128.912 -41.535 1.00 0.00 H new ATOM 0 HD22 LEU A 95 90.032 128.636 -40.664 1.00 0.00 H new ATOM 0 HD23 LEU A 95 91.129 127.273 -40.989 1.00 0.00 H new ATOM 1456 N LYS A 96 89.396 126.046 -45.251 1.00 0.00 N ATOM 1457 CA LYS A 96 89.332 125.271 -46.480 1.00 0.00 C ATOM 1458 C LYS A 96 89.913 126.072 -47.653 1.00 0.00 C ATOM 1459 O LYS A 96 90.902 125.627 -48.230 1.00 0.00 O ATOM 1460 CB LYS A 96 87.903 124.766 -46.744 1.00 0.00 C ATOM 1461 CG LYS A 96 87.045 125.695 -47.610 1.00 0.00 C ATOM 1462 CD LYS A 96 85.616 125.172 -47.758 1.00 0.00 C ATOM 1463 CE LYS A 96 84.645 126.275 -48.182 1.00 0.00 C ATOM 1464 NZ LYS A 96 83.327 126.128 -47.574 1.00 0.00 N ATOM 1465 OXT LYS A 96 89.374 127.131 -47.973 1.00 0.00 O ATOM 0 H LYS A 96 90.123 125.756 -44.597 1.00 0.00 H new ATOM 0 HA LYS A 96 89.952 124.381 -46.369 1.00 0.00 H new ATOM 0 HB2 LYS A 96 87.960 123.791 -47.228 1.00 0.00 H new ATOM 0 HB3 LYS A 96 87.402 124.618 -45.787 1.00 0.00 H new ATOM 0 HG2 LYS A 96 87.024 126.690 -47.165 1.00 0.00 H new ATOM 0 HG3 LYS A 96 87.499 125.796 -48.596 1.00 0.00 H new ATOM 0 HD2 LYS A 96 85.598 124.369 -48.495 1.00 0.00 H new ATOM 0 HD3 LYS A 96 85.287 124.743 -46.812 1.00 0.00 H new ATOM 0 HE2 LYS A 96 85.061 127.245 -47.908 1.00 0.00 H new ATOM 0 HE3 LYS A 96 84.543 126.267 -49.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 82.709 126.900 -47.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 82.915 125.215 -47.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 83.417 126.163 -46.538 1.00 0.00 H new TER 1479 LYS A 96