USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 619 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.0545 (180deg=-0.306) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -155:sc= 0.0215 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.28 K(o=-1.3,f=-5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -137:sc= -0.225 (180deg=-0.972) USER MOD Single : A 45 GLN : amide:sc= -0.195 K(o=-0.2,f=-0.87) USER MOD Single : A 49 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.6) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.3!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.525 F(o=-4!,f=-0.53) USER MOD Single : A 70 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.012) USER MOD Single : A 73 SER OG : rot 97:sc= -0.298 USER MOD Single : A 77 GLN : amide:sc= -1.9 K(o=-1.9,f=-2.8!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -35:sc= 0.00664 USER MOD Single : A 88 LYS NZ :NH3+ -167:sc=-0.00405 (180deg=-0.0967) USER MOD Single : A 90 ASN : amide:sc= -2.85! C(o=-2.9!,f=-2.9!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -73:sc= 0.137 USER MOD Single : A 101 HIS : no HD1:sc= -0.0602 X(o=-0.06,f=-0.0051) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 108 LYS NZ :NH3+ -167:sc=-0.00329 (180deg=-0.13) USER MOD Single : A 109 LYS NZ :NH3+ 153:sc= -0.118 (180deg=-0.549) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.995 32.575 2.538 1.00 33.42 N ATOM 2 CA MET A 1 19.013 33.593 2.894 1.00 34.00 C ATOM 3 C MET A 1 18.118 33.112 4.032 1.00 63.14 C ATOM 4 O MET A 1 17.475 32.068 3.929 1.00 41.34 O ATOM 5 CB MET A 1 18.160 33.957 1.678 1.00 72.01 C ATOM 6 CG MET A 1 17.531 32.753 0.995 1.00 73.22 C ATOM 7 SD MET A 1 16.539 33.207 -0.441 1.00 62.21 S ATOM 8 CE MET A 1 17.369 32.285 -1.732 1.00 40.23 C ATOM 0 H1 MET A 1 20.192 32.624 1.518 1.00 33.42 H new ATOM 0 H2 MET A 1 20.874 32.740 3.069 1.00 33.42 H new ATOM 0 H3 MET A 1 19.620 31.634 2.773 1.00 33.42 H new ATOM 0 HA MET A 1 19.552 34.479 3.229 1.00 34.00 H new ATOM 0 HB2 MET A 1 17.371 34.641 1.990 1.00 72.01 H new ATOM 0 HB3 MET A 1 18.779 34.491 0.957 1.00 72.01 H new ATOM 0 HG2 MET A 1 18.317 32.064 0.685 1.00 73.22 H new ATOM 0 HG3 MET A 1 16.904 32.221 1.711 1.00 73.22 H new ATOM 0 HE1 MET A 1 16.870 32.463 -2.685 1.00 40.23 H new ATOM 0 HE2 MET A 1 18.408 32.609 -1.800 1.00 40.23 H new ATOM 0 HE3 MET A 1 17.335 31.221 -1.498 1.00 40.23 H new ATOM 16 N SER A 2 18.083 33.879 5.117 1.00 44.33 N ATOM 17 CA SER A 2 17.271 33.527 6.276 1.00 25.12 C ATOM 18 C SER A 2 17.171 34.702 7.245 1.00 12.11 C ATOM 19 O SER A 2 17.614 35.810 6.942 1.00 32.42 O ATOM 20 CB SER A 2 17.863 32.311 6.990 1.00 23.14 C ATOM 21 OG SER A 2 19.158 32.594 7.492 1.00 11.35 O ATOM 0 H SER A 2 18.607 34.748 5.218 1.00 44.33 H new ATOM 0 HA SER A 2 16.269 33.280 5.926 1.00 25.12 H new ATOM 0 HB2 SER A 2 17.209 32.013 7.810 1.00 23.14 H new ATOM 0 HB3 SER A 2 17.913 31.469 6.300 1.00 23.14 H new ATOM 0 HG SER A 2 19.514 31.801 7.945 1.00 11.35 H new ATOM 26 N ASP A 3 16.587 34.450 8.411 1.00 54.11 N ATOM 27 CA ASP A 3 16.428 35.484 9.426 1.00 22.34 C ATOM 28 C ASP A 3 17.783 35.910 9.984 1.00 70.54 C ATOM 29 O ASP A 3 18.457 35.136 10.662 1.00 34.21 O ATOM 30 CB ASP A 3 15.530 34.984 10.559 1.00 61.11 C ATOM 31 CG ASP A 3 14.341 34.194 10.049 1.00 3.45 C ATOM 32 OD1 ASP A 3 13.522 34.770 9.302 1.00 32.42 O ATOM 33 OD2 ASP A 3 14.230 33.000 10.396 1.00 50.20 O ATOM 0 H ASP A 3 16.216 33.538 8.677 1.00 54.11 H new ATOM 0 HA ASP A 3 15.959 36.349 8.957 1.00 22.34 H new ATOM 0 HB2 ASP A 3 16.115 34.359 11.234 1.00 61.11 H new ATOM 0 HB3 ASP A 3 15.175 35.835 11.140 1.00 61.11 H new ATOM 37 N ALA A 4 18.175 37.146 9.693 1.00 23.43 N ATOM 38 CA ALA A 4 19.448 37.675 10.167 1.00 0.31 C ATOM 39 C ALA A 4 19.533 37.622 11.688 1.00 54.44 C ATOM 40 O ALA A 4 20.623 37.590 12.258 1.00 5.05 O ATOM 41 CB ALA A 4 19.643 39.101 9.674 1.00 4.41 C ATOM 0 H ALA A 4 17.629 37.800 9.131 1.00 23.43 H new ATOM 0 HA ALA A 4 20.245 37.051 9.764 1.00 0.31 H new ATOM 0 HB1 ALA A 4 20.598 39.484 10.035 1.00 4.41 H new ATOM 0 HB2 ALA A 4 19.636 39.113 8.584 1.00 4.41 H new ATOM 0 HB3 ALA A 4 18.835 39.729 10.049 1.00 4.41 H new ATOM 47 N GLY A 5 18.375 37.612 12.341 1.00 13.12 N ATOM 48 CA GLY A 5 18.341 37.564 13.791 1.00 14.04 C ATOM 49 C GLY A 5 17.567 38.720 14.392 1.00 2.30 C ATOM 50 O GLY A 5 16.403 38.570 14.764 1.00 65.04 O ATOM 0 H GLY A 5 17.460 37.636 11.892 1.00 13.12 H new ATOM 0 HA2 GLY A 5 17.890 36.624 14.110 1.00 14.04 H new ATOM 0 HA3 GLY A 5 19.361 37.575 14.176 1.00 14.04 H new ATOM 53 N ARG A 6 18.214 39.878 14.487 1.00 13.11 N ATOM 54 CA ARG A 6 17.579 41.063 15.050 1.00 20.25 C ATOM 55 C ARG A 6 17.315 42.105 13.966 1.00 1.31 C ATOM 56 O ARG A 6 16.960 43.246 14.260 1.00 34.14 O ATOM 57 CB ARG A 6 18.457 41.665 16.148 1.00 44.03 C ATOM 58 CG ARG A 6 18.939 40.648 17.169 1.00 11.10 C ATOM 59 CD ARG A 6 19.216 41.298 18.516 1.00 33.13 C ATOM 60 NE ARG A 6 20.600 41.747 18.632 1.00 4.32 N ATOM 61 CZ ARG A 6 21.616 40.937 18.906 1.00 50.45 C ATOM 62 NH1 ARG A 6 21.403 39.641 19.091 1.00 0.12 N ATOM 63 NH2 ARG A 6 22.848 41.420 18.995 1.00 45.02 N ATOM 0 H ARG A 6 19.177 40.020 14.181 1.00 13.11 H new ATOM 0 HA ARG A 6 16.624 40.763 15.482 1.00 20.25 H new ATOM 0 HB2 ARG A 6 19.322 42.143 15.688 1.00 44.03 H new ATOM 0 HB3 ARG A 6 17.897 42.446 16.662 1.00 44.03 H new ATOM 0 HG2 ARG A 6 18.188 39.867 17.288 1.00 11.10 H new ATOM 0 HG3 ARG A 6 19.845 40.166 16.803 1.00 11.10 H new ATOM 0 HD2 ARG A 6 18.547 42.147 18.653 1.00 33.13 H new ATOM 0 HD3 ARG A 6 18.997 40.588 19.313 1.00 33.13 H new ATOM 0 HE ARG A 6 20.798 42.738 18.495 1.00 4.32 H new ATOM 0 HH11 ARG A 6 20.457 39.265 19.023 1.00 0.12 H new ATOM 0 HH12 ARG A 6 22.185 39.021 19.301 1.00 0.12 H new ATOM 0 HH21 ARG A 6 23.017 42.416 18.853 1.00 45.02 H new ATOM 0 HH22 ARG A 6 23.627 40.796 19.206 1.00 45.02 H new ATOM 74 N LYS A 7 17.493 41.703 12.711 1.00 24.32 N ATOM 75 CA LYS A 7 17.274 42.601 11.583 1.00 51.13 C ATOM 76 C LYS A 7 15.814 43.035 11.508 1.00 23.21 C ATOM 77 O LYS A 7 15.478 44.000 10.824 1.00 31.51 O ATOM 78 CB LYS A 7 17.682 41.917 10.276 1.00 3.14 C ATOM 79 CG LYS A 7 16.625 40.974 9.728 1.00 52.50 C ATOM 80 CD LYS A 7 16.392 39.797 10.660 1.00 74.13 C ATOM 81 CE LYS A 7 15.449 38.776 10.042 1.00 53.33 C ATOM 82 NZ LYS A 7 14.021 39.113 10.294 1.00 62.44 N ATOM 0 H LYS A 7 17.788 40.762 12.450 1.00 24.32 H new ATOM 0 HA LYS A 7 17.890 43.488 11.731 1.00 51.13 H new ATOM 0 HB2 LYS A 7 17.899 42.680 9.529 1.00 3.14 H new ATOM 0 HB3 LYS A 7 18.604 41.360 10.440 1.00 3.14 H new ATOM 0 HG2 LYS A 7 15.691 41.517 9.585 1.00 52.50 H new ATOM 0 HG3 LYS A 7 16.934 40.608 8.749 1.00 52.50 H new ATOM 0 HD2 LYS A 7 17.345 39.321 10.892 1.00 74.13 H new ATOM 0 HD3 LYS A 7 15.977 40.154 11.602 1.00 74.13 H new ATOM 0 HE2 LYS A 7 15.625 38.723 8.968 1.00 53.33 H new ATOM 0 HE3 LYS A 7 15.666 37.789 10.449 1.00 53.33 H new ATOM 0 HZ1 LYS A 7 13.412 38.393 9.856 1.00 62.44 H new ATOM 0 HZ2 LYS A 7 13.846 39.138 11.319 1.00 62.44 H new ATOM 0 HZ3 LYS A 7 13.806 40.044 9.883 1.00 62.44 H new ATOM 92 N GLY A 8 14.950 42.315 12.218 1.00 21.21 N ATOM 93 CA GLY A 8 13.536 42.643 12.219 1.00 44.42 C ATOM 94 C GLY A 8 12.849 42.240 13.509 1.00 13.32 C ATOM 95 O GLY A 8 12.464 41.084 13.680 1.00 74.12 O ATOM 0 H GLY A 8 15.204 41.511 12.792 1.00 21.21 H new ATOM 0 HA2 GLY A 8 13.415 43.715 12.066 1.00 44.42 H new ATOM 0 HA3 GLY A 8 13.050 42.144 11.381 1.00 44.42 H new ATOM 98 N PHE A 9 12.695 43.196 14.419 1.00 13.13 N ATOM 99 CA PHE A 9 12.052 42.934 15.701 1.00 31.02 C ATOM 100 C PHE A 9 10.532 42.939 15.557 1.00 63.52 C ATOM 101 O PHE A 9 9.809 42.600 16.493 1.00 61.44 O ATOM 102 CB PHE A 9 12.480 43.979 16.734 1.00 41.44 C ATOM 103 CG PHE A 9 13.590 43.512 17.633 1.00 31.41 C ATOM 104 CD1 PHE A 9 13.317 42.717 18.735 1.00 3.21 C ATOM 105 CD2 PHE A 9 14.903 43.867 17.377 1.00 4.42 C ATOM 106 CE1 PHE A 9 14.336 42.287 19.564 1.00 63.34 C ATOM 107 CE2 PHE A 9 15.926 43.440 18.202 1.00 43.14 C ATOM 108 CZ PHE A 9 15.642 42.648 19.297 1.00 61.53 C ATOM 0 H PHE A 9 13.007 44.159 14.292 1.00 13.13 H new ATOM 0 HA PHE A 9 12.365 41.947 16.041 1.00 31.02 H new ATOM 0 HB2 PHE A 9 12.799 44.883 16.215 1.00 41.44 H new ATOM 0 HB3 PHE A 9 11.618 44.250 17.344 1.00 41.44 H new ATOM 0 HD1 PHE A 9 12.298 42.431 18.948 1.00 3.21 H new ATOM 0 HD2 PHE A 9 15.131 44.486 16.522 1.00 4.42 H new ATOM 0 HE1 PHE A 9 14.111 41.669 20.420 1.00 63.34 H new ATOM 0 HE2 PHE A 9 16.946 43.725 17.991 1.00 43.14 H new ATOM 0 HZ PHE A 9 16.439 42.312 19.943 1.00 61.53 H new ATOM 117 N GLY A 10 10.056 43.326 14.379 1.00 21.03 N ATOM 118 CA GLY A 10 8.626 43.369 14.134 1.00 14.20 C ATOM 119 C GLY A 10 8.101 42.076 13.541 1.00 1.35 C ATOM 120 O GLY A 10 6.947 41.711 13.758 1.00 13.15 O ATOM 0 H GLY A 10 10.635 43.611 13.589 1.00 21.03 H new ATOM 0 HA2 GLY A 10 8.106 43.574 15.070 1.00 14.20 H new ATOM 0 HA3 GLY A 10 8.401 44.193 13.457 1.00 14.20 H new ATOM 123 N GLU A 11 8.951 41.384 12.788 1.00 31.50 N ATOM 124 CA GLU A 11 8.563 40.126 12.160 1.00 30.01 C ATOM 125 C GLU A 11 8.097 39.117 13.205 1.00 15.30 C ATOM 126 O GLU A 11 7.399 38.154 12.886 1.00 71.44 O ATOM 127 CB GLU A 11 9.734 39.548 11.362 1.00 34.40 C ATOM 128 CG GLU A 11 10.416 40.561 10.460 1.00 14.44 C ATOM 129 CD GLU A 11 9.439 41.282 9.550 1.00 33.31 C ATOM 130 OE1 GLU A 11 8.938 40.649 8.597 1.00 23.00 O ATOM 131 OE2 GLU A 11 9.176 42.479 9.791 1.00 62.53 O ATOM 0 H GLU A 11 9.911 41.673 12.598 1.00 31.50 H new ATOM 0 HA GLU A 11 7.734 40.328 11.481 1.00 30.01 H new ATOM 0 HB2 GLU A 11 10.469 39.140 12.056 1.00 34.40 H new ATOM 0 HB3 GLU A 11 9.374 38.718 10.754 1.00 34.40 H new ATOM 0 HG2 GLU A 11 10.943 41.292 11.074 1.00 14.44 H new ATOM 0 HG3 GLU A 11 11.166 40.055 9.853 1.00 14.44 H new ATOM 136 N LYS A 12 8.488 39.344 14.454 1.00 41.42 N ATOM 137 CA LYS A 12 8.112 38.457 15.547 1.00 71.53 C ATOM 138 C LYS A 12 7.005 39.077 16.394 1.00 73.01 C ATOM 139 O LYS A 12 6.021 38.415 16.728 1.00 42.53 O ATOM 140 CB LYS A 12 9.327 38.150 16.425 1.00 43.04 C ATOM 141 CG LYS A 12 10.554 37.723 15.637 1.00 74.04 C ATOM 142 CD LYS A 12 11.362 38.921 15.170 1.00 3.51 C ATOM 143 CE LYS A 12 12.850 38.606 15.123 1.00 24.52 C ATOM 144 NZ LYS A 12 13.205 37.781 13.935 1.00 65.21 N ATOM 0 H LYS A 12 9.066 40.136 14.734 1.00 41.42 H new ATOM 0 HA LYS A 12 7.740 37.528 15.115 1.00 71.53 H new ATOM 0 HB2 LYS A 12 9.573 39.034 17.013 1.00 43.04 H new ATOM 0 HB3 LYS A 12 9.065 37.361 17.130 1.00 43.04 H new ATOM 0 HG2 LYS A 12 11.180 37.080 16.256 1.00 74.04 H new ATOM 0 HG3 LYS A 12 10.246 37.132 14.774 1.00 74.04 H new ATOM 0 HD2 LYS A 12 11.022 39.227 14.180 1.00 3.51 H new ATOM 0 HD3 LYS A 12 11.188 39.762 15.841 1.00 3.51 H new ATOM 0 HE2 LYS A 12 13.418 39.536 15.102 1.00 24.52 H new ATOM 0 HE3 LYS A 12 13.138 38.077 16.032 1.00 24.52 H new ATOM 0 HZ1 LYS A 12 14.227 37.588 13.939 1.00 65.21 H new ATOM 0 HZ2 LYS A 12 12.683 36.882 13.968 1.00 65.21 H new ATOM 0 HZ3 LYS A 12 12.954 38.296 13.067 1.00 65.21 H new ATOM 154 N ALA A 13 7.171 40.350 16.737 1.00 74.21 N ATOM 155 CA ALA A 13 6.183 41.059 17.541 1.00 22.32 C ATOM 156 C ALA A 13 4.893 41.279 16.759 1.00 21.30 C ATOM 157 O ALA A 13 3.837 41.526 17.341 1.00 12.42 O ATOM 158 CB ALA A 13 6.748 42.390 18.017 1.00 72.12 C ATOM 0 H ALA A 13 7.980 40.911 16.471 1.00 74.21 H new ATOM 0 HA ALA A 13 5.949 40.444 18.410 1.00 22.32 H new ATOM 0 HB1 ALA A 13 6.000 42.909 18.616 1.00 72.12 H new ATOM 0 HB2 ALA A 13 7.638 42.212 18.621 1.00 72.12 H new ATOM 0 HB3 ALA A 13 7.011 43.003 17.155 1.00 72.12 H new ATOM 164 N SER A 14 4.986 41.188 15.436 1.00 24.33 N ATOM 165 CA SER A 14 3.827 41.383 14.573 1.00 71.22 C ATOM 166 C SER A 14 3.170 40.047 14.237 1.00 0.42 C ATOM 167 O SER A 14 1.955 39.968 14.061 1.00 60.00 O ATOM 168 CB SER A 14 4.236 42.101 13.286 1.00 44.22 C ATOM 169 OG SER A 14 3.110 42.364 12.468 1.00 0.01 O ATOM 0 H SER A 14 5.852 40.980 14.939 1.00 24.33 H new ATOM 0 HA SER A 14 3.105 41.999 15.109 1.00 71.22 H new ATOM 0 HB2 SER A 14 4.737 43.037 13.532 1.00 44.22 H new ATOM 0 HB3 SER A 14 4.953 41.490 12.737 1.00 44.22 H new ATOM 0 HG SER A 14 3.398 42.825 11.653 1.00 0.01 H new ATOM 174 N GLU A 15 3.985 39.000 14.149 1.00 51.41 N ATOM 175 CA GLU A 15 3.484 37.668 13.833 1.00 40.24 C ATOM 176 C GLU A 15 3.202 36.875 15.106 1.00 23.54 C ATOM 177 O GLU A 15 2.411 35.934 15.102 1.00 14.25 O ATOM 178 CB GLU A 15 4.491 36.913 12.963 1.00 54.10 C ATOM 179 CG GLU A 15 5.059 37.747 11.827 1.00 12.31 C ATOM 180 CD GLU A 15 4.055 37.976 10.714 1.00 10.55 C ATOM 181 OE1 GLU A 15 3.410 36.996 10.285 1.00 55.13 O ATOM 182 OE2 GLU A 15 3.914 39.135 10.271 1.00 35.32 O ATOM 0 H GLU A 15 4.994 39.049 14.292 1.00 51.41 H new ATOM 0 HA GLU A 15 2.550 37.782 13.282 1.00 40.24 H new ATOM 0 HB2 GLU A 15 5.311 36.563 13.591 1.00 54.10 H new ATOM 0 HB3 GLU A 15 4.008 36.029 12.547 1.00 54.10 H new ATOM 0 HG2 GLU A 15 5.389 38.710 12.218 1.00 12.31 H new ATOM 0 HG3 GLU A 15 5.939 37.249 11.421 1.00 12.31 H new ATOM 187 N ALA A 16 3.856 37.266 16.196 1.00 0.22 N ATOM 188 CA ALA A 16 3.675 36.594 17.477 1.00 43.20 C ATOM 189 C ALA A 16 2.561 37.248 18.287 1.00 61.20 C ATOM 190 O ALA A 16 1.916 36.599 19.110 1.00 75.30 O ATOM 191 CB ALA A 16 4.977 36.602 18.265 1.00 32.12 C ATOM 0 H ALA A 16 4.515 38.044 16.217 1.00 0.22 H new ATOM 0 HA ALA A 16 3.388 35.561 17.280 1.00 43.20 H new ATOM 0 HB1 ALA A 16 4.828 36.097 19.219 1.00 32.12 H new ATOM 0 HB2 ALA A 16 5.749 36.083 17.697 1.00 32.12 H new ATOM 0 HB3 ALA A 16 5.288 37.631 18.444 1.00 32.12 H new ATOM 197 N LEU A 17 2.340 38.536 18.048 1.00 44.22 N ATOM 198 CA LEU A 17 1.304 39.279 18.756 1.00 65.42 C ATOM 199 C LEU A 17 0.088 39.504 17.864 1.00 3.44 C ATOM 200 O LEU A 17 -0.932 40.034 18.305 1.00 42.43 O ATOM 201 CB LEU A 17 1.851 40.623 19.241 1.00 50.23 C ATOM 202 CG LEU A 17 3.277 40.607 19.793 1.00 1.32 C ATOM 203 CD1 LEU A 17 3.769 42.025 20.041 1.00 51.23 C ATOM 204 CD2 LEU A 17 3.345 39.786 21.073 1.00 11.51 C ATOM 0 H LEU A 17 2.865 39.087 17.369 1.00 44.22 H new ATOM 0 HA LEU A 17 0.995 38.688 19.618 1.00 65.42 H new ATOM 0 HB2 LEU A 17 1.812 41.329 18.412 1.00 50.23 H new ATOM 0 HB3 LEU A 17 1.187 41.005 20.016 1.00 50.23 H new ATOM 0 HG LEU A 17 3.927 40.142 19.052 1.00 1.32 H new ATOM 0 HD11 LEU A 17 4.785 41.994 20.434 1.00 51.23 H new ATOM 0 HD12 LEU A 17 3.759 42.583 19.105 1.00 51.23 H new ATOM 0 HD13 LEU A 17 3.116 42.516 20.763 1.00 51.23 H new ATOM 0 HD21 LEU A 17 4.367 39.786 21.451 1.00 11.51 H new ATOM 0 HD22 LEU A 17 2.682 40.221 21.820 1.00 11.51 H new ATOM 0 HD23 LEU A 17 3.035 38.762 20.865 1.00 11.51 H new ATOM 215 N LYS A 18 0.203 39.096 16.604 1.00 72.14 N ATOM 216 CA LYS A 18 -0.887 39.249 15.647 1.00 21.21 C ATOM 217 C LYS A 18 -2.234 38.975 16.309 1.00 53.12 C ATOM 218 O LYS A 18 -2.340 38.194 17.254 1.00 32.32 O ATOM 219 CB LYS A 18 -0.688 38.305 14.460 1.00 53.13 C ATOM 220 CG LYS A 18 -0.384 39.021 13.156 1.00 44.22 C ATOM 221 CD LYS A 18 -1.416 38.700 12.089 1.00 33.21 C ATOM 222 CE LYS A 18 -0.769 38.507 10.727 1.00 44.10 C ATOM 223 NZ LYS A 18 -0.634 39.794 9.989 1.00 53.14 N ATOM 0 H LYS A 18 1.041 38.657 16.222 1.00 72.14 H new ATOM 0 HA LYS A 18 -0.881 40.278 15.289 1.00 21.21 H new ATOM 0 HB2 LYS A 18 0.128 37.618 14.686 1.00 53.13 H new ATOM 0 HB3 LYS A 18 -1.587 37.702 14.332 1.00 53.13 H new ATOM 0 HG2 LYS A 18 -0.360 40.097 13.328 1.00 44.22 H new ATOM 0 HG3 LYS A 18 0.606 38.732 12.804 1.00 44.22 H new ATOM 0 HD2 LYS A 18 -1.958 37.796 12.366 1.00 33.21 H new ATOM 0 HD3 LYS A 18 -2.147 39.507 12.034 1.00 33.21 H new ATOM 0 HE2 LYS A 18 0.215 38.056 10.853 1.00 44.10 H new ATOM 0 HE3 LYS A 18 -1.365 37.811 10.137 1.00 44.10 H new ATOM 0 HZ1 LYS A 18 -0.189 39.620 9.066 1.00 53.14 H new ATOM 0 HZ2 LYS A 18 -1.575 40.212 9.846 1.00 53.14 H new ATOM 0 HZ3 LYS A 18 -0.044 40.450 10.540 1.00 53.14 H new ATOM 233 N PRO A 19 -3.288 39.630 15.801 1.00 41.10 N ATOM 234 CA PRO A 19 -4.647 39.472 16.326 1.00 72.53 C ATOM 235 C PRO A 19 -5.230 38.096 16.019 1.00 60.32 C ATOM 236 O PRO A 19 -6.312 37.749 16.496 1.00 45.44 O ATOM 237 CB PRO A 19 -5.439 40.562 15.599 1.00 53.24 C ATOM 238 CG PRO A 19 -4.683 40.802 14.338 1.00 55.04 C ATOM 239 CD PRO A 19 -3.234 40.577 14.674 1.00 71.44 C ATOM 0 HA PRO A 19 -4.676 39.558 17.412 1.00 72.53 H new ATOM 0 HB2 PRO A 19 -6.460 40.239 15.393 1.00 53.24 H new ATOM 0 HB3 PRO A 19 -5.506 41.469 16.199 1.00 53.24 H new ATOM 0 HG2 PRO A 19 -5.011 40.123 13.551 1.00 55.04 H new ATOM 0 HG3 PRO A 19 -4.846 41.816 13.972 1.00 55.04 H new ATOM 0 HD2 PRO A 19 -2.685 40.164 13.828 1.00 71.44 H new ATOM 0 HD3 PRO A 19 -2.737 41.506 14.953 1.00 71.44 H new ATOM 244 N ASP A 20 -4.508 37.318 15.221 1.00 55.33 N ATOM 245 CA ASP A 20 -4.954 35.978 14.851 1.00 25.02 C ATOM 246 C ASP A 20 -3.795 34.988 14.900 1.00 44.12 C ATOM 247 O ASP A 20 -3.509 34.303 13.919 1.00 14.02 O ATOM 248 CB ASP A 20 -5.571 35.992 13.452 1.00 62.54 C ATOM 249 CG ASP A 20 -7.070 36.218 13.484 1.00 15.23 C ATOM 250 OD1 ASP A 20 -7.547 36.906 14.410 1.00 1.24 O ATOM 251 OD2 ASP A 20 -7.765 35.708 12.580 1.00 63.43 O ATOM 0 H ASP A 20 -3.612 37.591 14.817 1.00 55.33 H new ATOM 0 HA ASP A 20 -5.710 35.661 15.570 1.00 25.02 H new ATOM 0 HB2 ASP A 20 -5.101 36.776 12.858 1.00 62.54 H new ATOM 0 HB3 ASP A 20 -5.359 35.045 12.955 1.00 62.54 H new ATOM 255 N SER A 21 -3.130 34.919 16.049 1.00 21.12 N ATOM 256 CA SER A 21 -1.998 34.015 16.225 1.00 30.32 C ATOM 257 C SER A 21 -2.412 32.772 17.007 1.00 22.23 C ATOM 258 O SER A 21 -1.742 31.742 16.953 1.00 52.34 O ATOM 259 CB SER A 21 -0.855 34.730 16.949 1.00 13.34 C ATOM 260 OG SER A 21 0.115 35.201 16.029 1.00 12.33 O ATOM 0 H SER A 21 -3.355 35.478 16.872 1.00 21.12 H new ATOM 0 HA SER A 21 -1.655 33.705 15.238 1.00 30.32 H new ATOM 0 HB2 SER A 21 -1.252 35.566 17.525 1.00 13.34 H new ATOM 0 HB3 SER A 21 -0.387 34.048 17.659 1.00 13.34 H new ATOM 0 HG SER A 21 0.981 35.285 16.481 1.00 12.33 H new ATOM 265 N GLN A 22 -3.520 32.879 17.732 1.00 21.41 N ATOM 266 CA GLN A 22 -4.024 31.764 18.527 1.00 11.11 C ATOM 267 C GLN A 22 -5.243 31.131 17.864 1.00 51.01 C ATOM 268 O GLN A 22 -5.676 30.044 18.247 1.00 12.22 O ATOM 269 CB GLN A 22 -4.382 32.235 19.937 1.00 5.14 C ATOM 270 CG GLN A 22 -3.183 32.706 20.744 1.00 11.25 C ATOM 271 CD GLN A 22 -3.499 33.910 21.610 1.00 42.12 C ATOM 272 OE1 GLN A 22 -4.150 33.788 22.648 1.00 44.24 O ATOM 273 NE2 GLN A 22 -3.038 35.081 21.187 1.00 42.12 N ATOM 0 H GLN A 22 -4.086 33.726 17.786 1.00 21.41 H new ATOM 0 HA GLN A 22 -3.237 31.013 18.593 1.00 11.11 H new ATOM 0 HB2 GLN A 22 -5.104 33.048 19.867 1.00 5.14 H new ATOM 0 HB3 GLN A 22 -4.871 31.420 20.470 1.00 5.14 H new ATOM 0 HG2 GLN A 22 -2.832 31.890 21.376 1.00 11.25 H new ATOM 0 HG3 GLN A 22 -2.368 32.956 20.065 1.00 11.25 H new ATOM 0 HE21 GLN A 22 -2.503 35.135 20.320 1.00 42.12 H new ATOM 0 HE22 GLN A 22 -3.219 35.926 21.729 1.00 42.12 H new ATOM 280 N LYS A 23 -5.793 31.818 16.868 1.00 61.52 N ATOM 281 CA LYS A 23 -6.962 31.323 16.152 1.00 51.43 C ATOM 282 C LYS A 23 -6.563 30.730 14.803 1.00 24.40 C ATOM 283 O LYS A 23 -6.589 29.514 14.618 1.00 3.02 O ATOM 284 CB LYS A 23 -7.974 32.452 15.945 1.00 75.12 C ATOM 285 CG LYS A 23 -7.333 33.805 15.688 1.00 30.10 C ATOM 286 CD LYS A 23 -7.582 34.767 16.837 1.00 13.02 C ATOM 287 CE LYS A 23 -6.488 34.673 17.890 1.00 4.31 C ATOM 288 NZ LYS A 23 -6.710 35.631 19.007 1.00 65.13 N ATOM 0 H LYS A 23 -5.447 32.719 16.539 1.00 61.52 H new ATOM 0 HA LYS A 23 -7.420 30.538 16.753 1.00 51.43 H new ATOM 0 HB2 LYS A 23 -8.620 32.200 15.104 1.00 75.12 H new ATOM 0 HB3 LYS A 23 -8.612 32.523 16.826 1.00 75.12 H new ATOM 0 HG2 LYS A 23 -6.260 33.679 15.544 1.00 30.10 H new ATOM 0 HG3 LYS A 23 -7.731 34.228 14.765 1.00 30.10 H new ATOM 0 HD2 LYS A 23 -7.634 35.786 16.455 1.00 13.02 H new ATOM 0 HD3 LYS A 23 -8.547 34.548 17.293 1.00 13.02 H new ATOM 0 HE2 LYS A 23 -6.450 33.658 18.285 1.00 4.31 H new ATOM 0 HE3 LYS A 23 -5.521 34.872 17.428 1.00 4.31 H new ATOM 0 HZ1 LYS A 23 -5.943 35.536 19.703 1.00 65.13 H new ATOM 0 HZ2 LYS A 23 -6.721 36.602 18.635 1.00 65.13 H new ATOM 0 HZ3 LYS A 23 -7.621 35.425 19.465 1.00 65.13 H new ATOM 298 N SER A 24 -6.194 31.598 13.867 1.00 4.21 N ATOM 299 CA SER A 24 -5.792 31.160 12.536 1.00 43.50 C ATOM 300 C SER A 24 -4.838 29.972 12.620 1.00 3.13 C ATOM 301 O SER A 24 -4.787 29.139 11.716 1.00 51.32 O ATOM 302 CB SER A 24 -5.127 32.311 11.776 1.00 62.35 C ATOM 303 OG SER A 24 -5.350 32.199 10.382 1.00 74.32 O ATOM 0 H SER A 24 -6.165 32.608 14.006 1.00 4.21 H new ATOM 0 HA SER A 24 -6.687 30.848 11.997 1.00 43.50 H new ATOM 0 HB2 SER A 24 -5.520 33.262 12.135 1.00 62.35 H new ATOM 0 HB3 SER A 24 -4.056 32.312 11.977 1.00 62.35 H new ATOM 0 HG SER A 24 -4.916 32.947 9.920 1.00 74.32 H new ATOM 308 N TYR A 25 -4.083 29.903 13.711 1.00 22.14 N ATOM 309 CA TYR A 25 -3.129 28.821 13.913 1.00 53.23 C ATOM 310 C TYR A 25 -3.783 27.645 14.634 1.00 2.33 C ATOM 311 O TYR A 25 -3.778 26.519 14.139 1.00 43.41 O ATOM 312 CB TYR A 25 -1.924 29.317 14.714 1.00 13.42 C ATOM 313 CG TYR A 25 -1.167 30.436 14.036 1.00 4.33 C ATOM 314 CD1 TYR A 25 -1.765 31.670 13.812 1.00 64.42 C ATOM 315 CD2 TYR A 25 0.147 30.261 13.617 1.00 74.34 C ATOM 316 CE1 TYR A 25 -1.077 32.696 13.194 1.00 12.04 C ATOM 317 CE2 TYR A 25 0.843 31.280 12.999 1.00 33.44 C ATOM 318 CZ TYR A 25 0.226 32.497 12.789 1.00 14.32 C ATOM 319 OH TYR A 25 0.915 33.515 12.172 1.00 50.22 O ATOM 0 H TYR A 25 -4.114 30.585 14.469 1.00 22.14 H new ATOM 0 HA TYR A 25 -2.791 28.482 12.934 1.00 53.23 H new ATOM 0 HB2 TYR A 25 -2.264 29.659 15.691 1.00 13.42 H new ATOM 0 HB3 TYR A 25 -1.245 28.482 14.887 1.00 13.42 H new ATOM 0 HD1 TYR A 25 -2.786 31.830 14.127 1.00 64.42 H new ATOM 0 HD2 TYR A 25 0.632 29.310 13.778 1.00 74.34 H new ATOM 0 HE1 TYR A 25 -1.557 33.649 13.029 1.00 12.04 H new ATOM 0 HE2 TYR A 25 1.864 31.126 12.682 1.00 33.44 H new ATOM 0 HH TYR A 25 1.820 33.211 11.951 1.00 50.22 H new ATOM 328 N ALA A 26 -4.347 27.918 15.806 1.00 43.31 N ATOM 329 CA ALA A 26 -5.007 26.886 16.594 1.00 75.41 C ATOM 330 C ALA A 26 -6.323 26.461 15.950 1.00 54.30 C ATOM 331 O ALA A 26 -6.578 25.270 15.767 1.00 24.11 O ATOM 332 CB ALA A 26 -5.248 27.379 18.013 1.00 74.44 C ATOM 0 H ALA A 26 -4.360 28.846 16.230 1.00 43.31 H new ATOM 0 HA ALA A 26 -4.352 26.016 16.629 1.00 75.41 H new ATOM 0 HB1 ALA A 26 -5.742 26.598 18.591 1.00 74.44 H new ATOM 0 HB2 ALA A 26 -4.294 27.627 18.479 1.00 74.44 H new ATOM 0 HB3 ALA A 26 -5.881 28.266 17.987 1.00 74.44 H new ATOM 338 N GLU A 27 -7.154 27.440 15.608 1.00 64.23 N ATOM 339 CA GLU A 27 -8.443 27.166 14.986 1.00 51.35 C ATOM 340 C GLU A 27 -8.280 26.237 13.786 1.00 14.12 C ATOM 341 O GLU A 27 -8.877 25.162 13.736 1.00 34.43 O ATOM 342 CB GLU A 27 -9.111 28.471 14.548 1.00 15.53 C ATOM 343 CG GLU A 27 -10.554 28.296 14.106 1.00 0.13 C ATOM 344 CD GLU A 27 -11.543 28.883 15.095 1.00 1.40 C ATOM 345 OE1 GLU A 27 -11.577 28.411 16.250 1.00 31.22 O ATOM 346 OE2 GLU A 27 -12.281 29.815 14.713 1.00 24.14 O ATOM 0 H GLU A 27 -6.957 28.430 15.751 1.00 64.23 H new ATOM 0 HA GLU A 27 -9.076 26.672 15.723 1.00 51.35 H new ATOM 0 HB2 GLU A 27 -9.076 29.182 15.373 1.00 15.53 H new ATOM 0 HB3 GLU A 27 -8.539 28.905 13.728 1.00 15.53 H new ATOM 0 HG2 GLU A 27 -10.692 28.771 13.135 1.00 0.13 H new ATOM 0 HG3 GLU A 27 -10.764 27.234 13.975 1.00 0.13 H new ATOM 351 N GLN A 28 -7.469 26.660 12.822 1.00 24.34 N ATOM 352 CA GLN A 28 -7.230 25.867 11.623 1.00 0.31 C ATOM 353 C GLN A 28 -6.881 24.427 11.983 1.00 1.15 C ATOM 354 O GLN A 28 -7.305 23.489 11.309 1.00 42.42 O ATOM 355 CB GLN A 28 -6.102 26.485 10.794 1.00 4.43 C ATOM 356 CG GLN A 28 -6.588 27.477 9.748 1.00 74.24 C ATOM 357 CD GLN A 28 -7.736 28.334 10.245 1.00 61.25 C ATOM 358 OE1 GLN A 28 -7.663 28.925 11.323 1.00 1.21 O ATOM 359 NE2 GLN A 28 -8.805 28.404 9.462 1.00 21.01 N ATOM 0 H GLN A 28 -6.967 27.547 12.848 1.00 24.34 H new ATOM 0 HA GLN A 28 -8.146 25.863 11.032 1.00 0.31 H new ATOM 0 HB2 GLN A 28 -5.404 26.988 11.463 1.00 4.43 H new ATOM 0 HB3 GLN A 28 -5.549 25.688 10.297 1.00 4.43 H new ATOM 0 HG2 GLN A 28 -5.760 28.121 9.452 1.00 74.24 H new ATOM 0 HG3 GLN A 28 -6.904 26.934 8.857 1.00 74.24 H new ATOM 0 HE21 GLN A 28 -8.823 27.898 8.577 1.00 21.01 H new ATOM 0 HE22 GLN A 28 -9.609 28.964 9.745 1.00 21.01 H new ATOM 366 N GLY A 29 -6.106 24.260 13.050 1.00 53.44 N ATOM 367 CA GLY A 29 -5.713 22.930 13.480 1.00 32.14 C ATOM 368 C GLY A 29 -6.840 22.187 14.169 1.00 32.41 C ATOM 369 O GLY A 29 -6.912 20.960 14.111 1.00 20.31 O ATOM 0 H GLY A 29 -5.743 25.021 13.624 1.00 53.44 H new ATOM 0 HA2 GLY A 29 -5.379 22.356 12.616 1.00 32.14 H new ATOM 0 HA3 GLY A 29 -4.864 23.007 14.159 1.00 32.14 H new ATOM 372 N LYS A 30 -7.724 22.933 14.824 1.00 72.04 N ATOM 373 CA LYS A 30 -8.854 22.338 15.528 1.00 70.33 C ATOM 374 C LYS A 30 -9.965 21.960 14.553 1.00 21.35 C ATOM 375 O LYS A 30 -10.478 20.842 14.586 1.00 40.44 O ATOM 376 CB LYS A 30 -9.394 23.308 16.581 1.00 25.11 C ATOM 377 CG LYS A 30 -8.962 22.970 17.998 1.00 30.15 C ATOM 378 CD LYS A 30 -9.154 24.150 18.936 1.00 10.41 C ATOM 379 CE LYS A 30 -10.572 24.206 19.480 1.00 73.24 C ATOM 380 NZ LYS A 30 -10.707 23.449 20.756 1.00 74.40 N ATOM 0 H LYS A 30 -7.679 23.950 14.882 1.00 72.04 H new ATOM 0 HA LYS A 30 -8.505 21.432 16.023 1.00 70.33 H new ATOM 0 HB2 LYS A 30 -9.060 24.317 16.339 1.00 25.11 H new ATOM 0 HB3 LYS A 30 -10.483 23.313 16.534 1.00 25.11 H new ATOM 0 HG2 LYS A 30 -9.537 22.118 18.361 1.00 30.15 H new ATOM 0 HG3 LYS A 30 -7.914 22.671 17.998 1.00 30.15 H new ATOM 0 HD2 LYS A 30 -8.449 24.076 19.764 1.00 10.41 H new ATOM 0 HD3 LYS A 30 -8.929 25.076 18.407 1.00 10.41 H new ATOM 0 HE2 LYS A 30 -10.858 25.245 19.642 1.00 73.24 H new ATOM 0 HE3 LYS A 30 -11.261 23.798 18.741 1.00 73.24 H new ATOM 0 HZ1 LYS A 30 -11.688 23.511 21.095 1.00 74.40 H new ATOM 0 HZ2 LYS A 30 -10.459 22.452 20.596 1.00 74.40 H new ATOM 0 HZ3 LYS A 30 -10.068 23.855 21.470 1.00 74.40 H new ATOM 390 N GLU A 31 -10.330 22.899 13.687 1.00 22.23 N ATOM 391 CA GLU A 31 -11.380 22.664 12.703 1.00 1.23 C ATOM 392 C GLU A 31 -11.184 21.318 12.009 1.00 64.22 C ATOM 393 O GLU A 31 -12.148 20.671 11.602 1.00 14.05 O ATOM 394 CB GLU A 31 -11.397 23.787 11.663 1.00 71.12 C ATOM 395 CG GLU A 31 -10.083 23.947 10.918 1.00 12.25 C ATOM 396 CD GLU A 31 -10.217 24.813 9.680 1.00 42.33 C ATOM 397 OE1 GLU A 31 -11.156 25.634 9.628 1.00 63.22 O ATOM 398 OE2 GLU A 31 -9.381 24.669 8.763 1.00 53.24 O ATOM 0 H GLU A 31 -9.914 23.830 13.646 1.00 22.23 H new ATOM 0 HA GLU A 31 -12.336 22.649 13.227 1.00 1.23 H new ATOM 0 HB2 GLU A 31 -12.192 23.592 10.943 1.00 71.12 H new ATOM 0 HB3 GLU A 31 -11.640 24.727 12.159 1.00 71.12 H new ATOM 0 HG2 GLU A 31 -9.342 24.386 11.586 1.00 12.25 H new ATOM 0 HG3 GLU A 31 -9.710 22.964 10.631 1.00 12.25 H new ATOM 403 N TYR A 32 -9.929 20.904 11.880 1.00 43.14 N ATOM 404 CA TYR A 32 -9.603 19.637 11.235 1.00 32.44 C ATOM 405 C TYR A 32 -9.830 18.467 12.187 1.00 4.45 C ATOM 406 O TYR A 32 -10.260 17.390 11.773 1.00 70.53 O ATOM 407 CB TYR A 32 -8.153 19.644 10.752 1.00 63.01 C ATOM 408 CG TYR A 32 -7.689 18.311 10.210 1.00 43.52 C ATOM 409 CD1 TYR A 32 -7.477 17.230 11.057 1.00 62.30 C ATOM 410 CD2 TYR A 32 -7.461 18.132 8.851 1.00 63.42 C ATOM 411 CE1 TYR A 32 -7.053 16.010 10.567 1.00 44.14 C ATOM 412 CE2 TYR A 32 -7.038 16.915 8.352 1.00 2.52 C ATOM 413 CZ TYR A 32 -6.835 15.857 9.214 1.00 2.14 C ATOM 414 OH TYR A 32 -6.412 14.645 8.721 1.00 32.32 O ATOM 0 H TYR A 32 -9.120 21.427 12.214 1.00 43.14 H new ATOM 0 HA TYR A 32 -10.263 19.515 10.376 1.00 32.44 H new ATOM 0 HB2 TYR A 32 -8.041 20.401 9.976 1.00 63.01 H new ATOM 0 HB3 TYR A 32 -7.505 19.936 11.578 1.00 63.01 H new ATOM 0 HD1 TYR A 32 -7.647 17.346 12.117 1.00 62.30 H new ATOM 0 HD2 TYR A 32 -7.617 18.958 8.173 1.00 63.42 H new ATOM 0 HE1 TYR A 32 -6.893 15.181 11.240 1.00 44.14 H new ATOM 0 HE2 TYR A 32 -6.867 16.793 7.293 1.00 2.52 H new ATOM 0 HH TYR A 32 -6.307 14.706 7.749 1.00 32.32 H new ATOM 423 N ILE A 33 -9.535 18.687 13.464 1.00 70.23 N ATOM 424 CA ILE A 33 -9.708 17.652 14.476 1.00 5.10 C ATOM 425 C ILE A 33 -11.142 17.620 14.991 1.00 73.41 C ATOM 426 O ILE A 33 -11.830 16.604 14.886 1.00 54.52 O ATOM 427 CB ILE A 33 -8.751 17.863 15.665 1.00 33.25 C ATOM 428 CG1 ILE A 33 -7.354 17.339 15.324 1.00 75.43 C ATOM 429 CG2 ILE A 33 -9.292 17.174 16.908 1.00 74.43 C ATOM 430 CD1 ILE A 33 -6.647 18.152 14.262 1.00 71.43 C ATOM 0 H ILE A 33 -9.175 19.572 13.822 1.00 70.23 H new ATOM 0 HA ILE A 33 -9.476 16.701 13.997 1.00 5.10 H new ATOM 0 HB ILE A 33 -8.678 18.931 15.868 1.00 33.25 H new ATOM 0 HG12 ILE A 33 -6.747 17.332 16.229 1.00 75.43 H new ATOM 0 HG13 ILE A 33 -7.435 16.306 14.986 1.00 75.43 H new ATOM 0 HG21 ILE A 33 -8.605 17.332 17.740 1.00 74.43 H new ATOM 0 HG22 ILE A 33 -10.268 17.590 17.159 1.00 74.43 H new ATOM 0 HG23 ILE A 33 -9.391 16.105 16.717 1.00 74.43 H new ATOM 0 HD11 ILE A 33 -5.663 17.724 14.071 1.00 71.43 H new ATOM 0 HD12 ILE A 33 -7.233 18.139 13.343 1.00 71.43 H new ATOM 0 HD13 ILE A 33 -6.534 19.180 14.606 1.00 71.43 H new ATOM 441 N THR A 34 -11.591 18.741 15.548 1.00 64.42 N ATOM 442 CA THR A 34 -12.944 18.843 16.079 1.00 73.25 C ATOM 443 C THR A 34 -13.915 17.984 15.277 1.00 52.13 C ATOM 444 O THR A 34 -14.704 17.228 15.844 1.00 32.24 O ATOM 445 CB THR A 34 -13.441 20.300 16.075 1.00 22.21 C ATOM 446 OG1 THR A 34 -14.847 20.339 16.342 1.00 74.43 O ATOM 447 CG2 THR A 34 -13.155 20.965 14.738 1.00 21.31 C ATOM 0 H THR A 34 -11.036 19.592 15.643 1.00 64.42 H new ATOM 0 HA THR A 34 -12.908 18.483 17.107 1.00 73.25 H new ATOM 0 HB THR A 34 -12.909 20.844 16.855 1.00 22.21 H new ATOM 0 HG1 THR A 34 -15.155 21.269 16.339 1.00 74.43 H new ATOM 0 HG21 THR A 34 -13.515 21.994 14.759 1.00 21.31 H new ATOM 0 HG22 THR A 34 -12.081 20.960 14.552 1.00 21.31 H new ATOM 0 HG23 THR A 34 -13.664 20.419 13.944 1.00 21.31 H new ATOM 455 N ASP A 35 -13.852 18.105 13.956 1.00 52.41 N ATOM 456 CA ASP A 35 -14.725 17.338 13.075 1.00 51.03 C ATOM 457 C ASP A 35 -14.304 15.872 13.034 1.00 42.23 C ATOM 458 O ASP A 35 -15.094 14.978 13.337 1.00 25.43 O ATOM 459 CB ASP A 35 -14.705 17.926 11.664 1.00 31.50 C ATOM 460 CG ASP A 35 -16.099 18.134 11.104 1.00 30.52 C ATOM 461 OD1 ASP A 35 -17.021 17.404 11.523 1.00 61.11 O ATOM 462 OD2 ASP A 35 -16.268 19.027 10.247 1.00 22.30 O ATOM 0 H ASP A 35 -13.205 18.727 13.471 1.00 52.41 H new ATOM 0 HA ASP A 35 -15.739 17.395 13.470 1.00 51.03 H new ATOM 0 HB2 ASP A 35 -14.176 18.879 11.678 1.00 31.50 H new ATOM 0 HB3 ASP A 35 -14.147 17.262 11.004 1.00 31.50 H new ATOM 466 N LYS A 36 -13.053 15.632 12.655 1.00 65.23 N ATOM 467 CA LYS A 36 -12.525 14.275 12.573 1.00 64.41 C ATOM 468 C LYS A 36 -12.603 13.578 13.928 1.00 23.24 C ATOM 469 O LYS A 36 -13.182 12.500 14.050 1.00 20.44 O ATOM 470 CB LYS A 36 -11.075 14.298 12.083 1.00 22.03 C ATOM 471 CG LYS A 36 -10.742 13.175 11.117 1.00 40.52 C ATOM 472 CD LYS A 36 -11.408 13.384 9.767 1.00 50.12 C ATOM 473 CE LYS A 36 -11.001 12.308 8.772 1.00 1.24 C ATOM 474 NZ LYS A 36 -11.987 12.175 7.665 1.00 72.12 N ATOM 0 H LYS A 36 -12.386 16.360 12.400 1.00 65.23 H new ATOM 0 HA LYS A 36 -13.134 13.718 11.861 1.00 64.41 H new ATOM 0 HB2 LYS A 36 -10.880 15.254 11.597 1.00 22.03 H new ATOM 0 HB3 LYS A 36 -10.409 14.236 12.943 1.00 22.03 H new ATOM 0 HG2 LYS A 36 -9.662 13.116 10.985 1.00 40.52 H new ATOM 0 HG3 LYS A 36 -11.064 12.223 11.539 1.00 40.52 H new ATOM 0 HD2 LYS A 36 -12.491 13.377 9.889 1.00 50.12 H new ATOM 0 HD3 LYS A 36 -11.138 14.365 9.375 1.00 50.12 H new ATOM 0 HE2 LYS A 36 -10.021 12.547 8.359 1.00 1.24 H new ATOM 0 HE3 LYS A 36 -10.904 11.353 9.289 1.00 1.24 H new ATOM 0 HZ1 LYS A 36 -11.674 11.432 7.008 1.00 72.12 H new ATOM 0 HZ2 LYS A 36 -12.917 11.922 8.057 1.00 72.12 H new ATOM 0 HZ3 LYS A 36 -12.061 13.079 7.155 1.00 72.12 H new ATOM 484 N ALA A 37 -12.016 14.203 14.944 1.00 1.20 N ATOM 485 CA ALA A 37 -12.023 13.644 16.291 1.00 43.40 C ATOM 486 C ALA A 37 -13.419 13.174 16.683 1.00 43.21 C ATOM 487 O ALA A 37 -13.605 12.032 17.102 1.00 24.12 O ATOM 488 CB ALA A 37 -11.508 14.670 17.290 1.00 50.45 C ATOM 0 H ALA A 37 -11.530 15.096 14.860 1.00 1.20 H new ATOM 0 HA ALA A 37 -11.361 12.778 16.303 1.00 43.40 H new ATOM 0 HB1 ALA A 37 -11.518 14.240 18.291 1.00 50.45 H new ATOM 0 HB2 ALA A 37 -10.489 14.954 17.028 1.00 50.45 H new ATOM 0 HB3 ALA A 37 -12.147 15.552 17.268 1.00 50.45 H new ATOM 494 N ASP A 38 -14.397 14.063 16.546 1.00 41.24 N ATOM 495 CA ASP A 38 -15.778 13.739 16.887 1.00 52.43 C ATOM 496 C ASP A 38 -16.194 12.411 16.262 1.00 73.13 C ATOM 497 O ASP A 38 -17.098 11.736 16.757 1.00 10.43 O ATOM 498 CB ASP A 38 -16.715 14.853 16.418 1.00 75.42 C ATOM 499 CG ASP A 38 -18.078 14.778 17.078 1.00 20.41 C ATOM 500 OD1 ASP A 38 -18.192 15.189 18.252 1.00 32.44 O ATOM 501 OD2 ASP A 38 -19.030 14.307 16.422 1.00 74.24 O ATOM 0 H ASP A 38 -14.259 15.013 16.201 1.00 41.24 H new ATOM 0 HA ASP A 38 -15.848 13.648 17.971 1.00 52.43 H new ATOM 0 HB2 ASP A 38 -16.262 15.820 16.635 1.00 75.42 H new ATOM 0 HB3 ASP A 38 -16.834 14.792 15.336 1.00 75.42 H new ATOM 505 N LYS A 39 -15.529 12.041 15.173 1.00 43.32 N ATOM 506 CA LYS A 39 -15.829 10.793 14.480 1.00 3.32 C ATOM 507 C LYS A 39 -14.878 9.685 14.920 1.00 72.13 C ATOM 508 O LYS A 39 -15.287 8.538 15.103 1.00 50.40 O ATOM 509 CB LYS A 39 -15.732 10.991 12.966 1.00 14.02 C ATOM 510 CG LYS A 39 -16.457 9.923 12.165 1.00 41.31 C ATOM 511 CD LYS A 39 -17.748 10.454 11.566 1.00 20.01 C ATOM 512 CE LYS A 39 -18.567 9.341 10.931 1.00 10.25 C ATOM 513 NZ LYS A 39 -19.406 8.629 11.933 1.00 61.04 N ATOM 0 H LYS A 39 -14.778 12.588 14.751 1.00 43.32 H new ATOM 0 HA LYS A 39 -16.846 10.498 14.738 1.00 3.32 H new ATOM 0 HB2 LYS A 39 -16.142 11.967 12.709 1.00 14.02 H new ATOM 0 HB3 LYS A 39 -14.681 11.000 12.676 1.00 14.02 H new ATOM 0 HG2 LYS A 39 -15.807 9.561 11.368 1.00 41.31 H new ATOM 0 HG3 LYS A 39 -16.677 9.071 12.809 1.00 41.31 H new ATOM 0 HD2 LYS A 39 -18.337 10.943 12.342 1.00 20.01 H new ATOM 0 HD3 LYS A 39 -17.518 11.211 10.816 1.00 20.01 H new ATOM 0 HE2 LYS A 39 -19.206 9.759 10.153 1.00 10.25 H new ATOM 0 HE3 LYS A 39 -17.899 8.630 10.446 1.00 10.25 H new ATOM 0 HZ1 LYS A 39 -19.949 7.878 11.461 1.00 61.04 H new ATOM 0 HZ2 LYS A 39 -18.795 8.208 12.662 1.00 61.04 H new ATOM 0 HZ3 LYS A 39 -20.062 9.302 12.378 1.00 61.04 H new ATOM 523 N VAL A 40 -13.607 10.035 15.091 1.00 54.42 N ATOM 524 CA VAL A 40 -12.598 9.069 15.512 1.00 25.05 C ATOM 525 C VAL A 40 -12.922 8.502 16.889 1.00 70.12 C ATOM 526 O VAL A 40 -12.248 7.591 17.371 1.00 31.15 O ATOM 527 CB VAL A 40 -11.194 9.704 15.548 1.00 34.03 C ATOM 528 CG1 VAL A 40 -11.016 10.670 14.386 1.00 4.02 C ATOM 529 CG2 VAL A 40 -10.961 10.405 16.877 1.00 14.33 C ATOM 0 H VAL A 40 -13.251 10.980 14.945 1.00 54.42 H new ATOM 0 HA VAL A 40 -12.606 8.263 14.779 1.00 25.05 H new ATOM 0 HB VAL A 40 -10.452 8.912 15.447 1.00 34.03 H new ATOM 0 HG11 VAL A 40 -10.019 11.109 14.427 1.00 4.02 H new ATOM 0 HG12 VAL A 40 -11.138 10.134 13.445 1.00 4.02 H new ATOM 0 HG13 VAL A 40 -11.764 11.460 14.452 1.00 4.02 H new ATOM 0 HG21 VAL A 40 -9.965 10.848 16.885 1.00 14.33 H new ATOM 0 HG22 VAL A 40 -11.707 11.188 17.011 1.00 14.33 H new ATOM 0 HG23 VAL A 40 -11.044 9.682 17.689 1.00 14.33 H new ATOM 539 N ALA A 41 -13.959 9.045 17.518 1.00 62.02 N ATOM 540 CA ALA A 41 -14.375 8.591 18.839 1.00 50.20 C ATOM 541 C ALA A 41 -15.488 7.554 18.738 1.00 51.04 C ATOM 542 O ALA A 41 -15.799 6.866 19.710 1.00 20.12 O ATOM 543 CB ALA A 41 -14.827 9.772 19.685 1.00 72.41 C ATOM 0 H ALA A 41 -14.527 9.800 17.134 1.00 62.02 H new ATOM 0 HA ALA A 41 -13.518 8.120 19.320 1.00 50.20 H new ATOM 0 HB1 ALA A 41 -15.135 9.418 20.669 1.00 72.41 H new ATOM 0 HB2 ALA A 41 -14.003 10.478 19.794 1.00 72.41 H new ATOM 0 HB3 ALA A 41 -15.667 10.268 19.199 1.00 72.41 H new ATOM 549 N GLY A 42 -16.085 7.446 17.554 1.00 62.44 N ATOM 550 CA GLY A 42 -17.157 6.490 17.349 1.00 52.55 C ATOM 551 C GLY A 42 -16.650 5.142 16.876 1.00 50.45 C ATOM 552 O GLY A 42 -17.385 4.155 16.887 1.00 73.11 O ATOM 0 H GLY A 42 -15.845 8.003 16.734 1.00 62.44 H new ATOM 0 HA2 GLY A 42 -17.707 6.361 18.281 1.00 52.55 H new ATOM 0 HA3 GLY A 42 -17.859 6.888 16.616 1.00 52.55 H new ATOM 555 N LYS A 43 -15.389 5.099 16.456 1.00 23.42 N ATOM 556 CA LYS A 43 -14.784 3.864 15.976 1.00 64.24 C ATOM 557 C LYS A 43 -13.520 3.535 16.765 1.00 73.00 C ATOM 558 O LYS A 43 -13.262 2.375 17.087 1.00 64.44 O ATOM 559 CB LYS A 43 -14.451 3.979 14.487 1.00 23.13 C ATOM 560 CG LYS A 43 -12.983 4.251 14.210 1.00 73.24 C ATOM 561 CD LYS A 43 -12.662 5.733 14.301 1.00 32.03 C ATOM 562 CE LYS A 43 -12.979 6.453 12.999 1.00 43.00 C ATOM 563 NZ LYS A 43 -11.847 7.310 12.550 1.00 21.05 N ATOM 0 H LYS A 43 -14.767 5.907 16.439 1.00 23.42 H new ATOM 0 HA LYS A 43 -15.503 3.058 16.120 1.00 64.24 H new ATOM 0 HB2 LYS A 43 -14.741 3.055 13.986 1.00 23.13 H new ATOM 0 HB3 LYS A 43 -15.049 4.779 14.051 1.00 23.13 H new ATOM 0 HG2 LYS A 43 -12.370 3.701 14.923 1.00 73.24 H new ATOM 0 HG3 LYS A 43 -12.725 3.883 13.217 1.00 73.24 H new ATOM 0 HD2 LYS A 43 -13.233 6.181 15.114 1.00 32.03 H new ATOM 0 HD3 LYS A 43 -11.607 5.864 14.543 1.00 32.03 H new ATOM 0 HE2 LYS A 43 -13.209 5.720 12.225 1.00 43.00 H new ATOM 0 HE3 LYS A 43 -13.870 7.067 13.131 1.00 43.00 H new ATOM 0 HZ1 LYS A 43 -12.215 8.224 12.216 1.00 21.05 H new ATOM 0 HZ2 LYS A 43 -11.195 7.468 13.345 1.00 21.05 H new ATOM 0 HZ3 LYS A 43 -11.340 6.837 11.775 1.00 21.05 H new ATOM 573 N VAL A 44 -12.736 4.563 17.075 1.00 72.31 N ATOM 574 CA VAL A 44 -11.502 4.383 17.829 1.00 12.33 C ATOM 575 C VAL A 44 -10.932 2.985 17.624 1.00 54.44 C ATOM 576 O VAL A 44 -11.300 2.044 18.327 1.00 71.03 O ATOM 577 CB VAL A 44 -11.724 4.619 19.335 1.00 53.11 C ATOM 578 CG1 VAL A 44 -13.088 4.099 19.761 1.00 11.42 C ATOM 579 CG2 VAL A 44 -10.616 3.963 20.145 1.00 74.43 C ATOM 0 H VAL A 44 -12.934 5.529 16.815 1.00 72.31 H new ATOM 0 HA VAL A 44 -10.792 5.120 17.454 1.00 12.33 H new ATOM 0 HB VAL A 44 -11.696 5.692 19.526 1.00 53.11 H new ATOM 0 HG11 VAL A 44 -13.227 4.274 20.828 1.00 11.42 H new ATOM 0 HG12 VAL A 44 -13.866 4.620 19.203 1.00 11.42 H new ATOM 0 HG13 VAL A 44 -13.149 3.030 19.558 1.00 11.42 H new ATOM 0 HG21 VAL A 44 -10.788 4.139 21.207 1.00 74.43 H new ATOM 0 HG22 VAL A 44 -10.610 2.890 19.952 1.00 74.43 H new ATOM 0 HG23 VAL A 44 -9.655 4.389 19.858 1.00 74.43 H new ATOM 589 N GLN A 45 -10.030 2.855 16.655 1.00 53.15 N ATOM 590 CA GLN A 45 -9.408 1.570 16.357 1.00 20.32 C ATOM 591 C GLN A 45 -8.892 0.907 17.630 1.00 45.41 C ATOM 592 O GLN A 45 -7.900 1.336 18.223 1.00 14.30 O ATOM 593 CB GLN A 45 -8.263 1.753 15.361 1.00 41.31 C ATOM 594 CG GLN A 45 -8.722 1.829 13.914 1.00 11.43 C ATOM 595 CD GLN A 45 -7.778 1.117 12.964 1.00 21.11 C ATOM 596 OE1 GLN A 45 -7.240 0.057 13.285 1.00 1.53 O ATOM 597 NE2 GLN A 45 -7.574 1.697 11.786 1.00 33.40 N ATOM 0 H GLN A 45 -9.714 3.624 16.064 1.00 53.15 H new ATOM 0 HA GLN A 45 -10.164 0.922 15.914 1.00 20.32 H new ATOM 0 HB2 GLN A 45 -7.719 2.664 15.609 1.00 41.31 H new ATOM 0 HB3 GLN A 45 -7.563 0.924 15.468 1.00 41.31 H new ATOM 0 HG2 GLN A 45 -9.716 1.391 13.829 1.00 11.43 H new ATOM 0 HG3 GLN A 45 -8.808 2.875 13.619 1.00 11.43 H new ATOM 0 HE21 GLN A 45 -8.041 2.576 11.562 1.00 33.40 H new ATOM 0 HE22 GLN A 45 -6.950 1.263 11.105 1.00 33.40 H new ATOM 604 N PRO A 46 -9.575 -0.162 18.061 1.00 31.43 N ATOM 605 CA PRO A 46 -9.203 -0.907 19.268 1.00 0.21 C ATOM 606 C PRO A 46 -7.904 -1.687 19.090 1.00 31.01 C ATOM 607 O PRO A 46 -7.228 -2.014 20.064 1.00 33.54 O ATOM 608 CB PRO A 46 -10.378 -1.865 19.471 1.00 15.25 C ATOM 609 CG PRO A 46 -10.964 -2.040 18.112 1.00 64.51 C ATOM 610 CD PRO A 46 -10.765 -0.728 17.404 1.00 33.33 C ATOM 0 HA PRO A 46 -9.024 -0.246 20.116 1.00 0.21 H new ATOM 0 HB2 PRO A 46 -10.045 -2.817 19.884 1.00 15.25 H new ATOM 0 HB3 PRO A 46 -11.109 -1.453 20.167 1.00 15.25 H new ATOM 0 HG2 PRO A 46 -10.472 -2.851 17.576 1.00 64.51 H new ATOM 0 HG3 PRO A 46 -12.022 -2.294 18.173 1.00 64.51 H new ATOM 0 HD2 PRO A 46 -10.605 -0.869 16.335 1.00 33.33 H new ATOM 0 HD3 PRO A 46 -11.632 -0.077 17.514 1.00 33.33 H new ATOM 615 N GLU A 47 -7.563 -1.980 17.839 1.00 53.30 N ATOM 616 CA GLU A 47 -6.345 -2.722 17.535 1.00 62.04 C ATOM 617 C GLU A 47 -5.166 -1.775 17.335 1.00 45.14 C ATOM 618 O GLU A 47 -4.047 -2.208 17.060 1.00 52.11 O ATOM 619 CB GLU A 47 -6.543 -3.579 16.283 1.00 52.32 C ATOM 620 CG GLU A 47 -7.865 -4.328 16.260 1.00 64.20 C ATOM 621 CD GLU A 47 -7.747 -5.701 15.630 1.00 72.23 C ATOM 622 OE1 GLU A 47 -7.886 -5.800 14.392 1.00 63.43 O ATOM 623 OE2 GLU A 47 -7.517 -6.678 16.373 1.00 21.20 O ATOM 0 H GLU A 47 -8.112 -1.715 17.021 1.00 53.30 H new ATOM 0 HA GLU A 47 -6.126 -3.373 18.382 1.00 62.04 H new ATOM 0 HB2 GLU A 47 -6.482 -2.940 15.402 1.00 52.32 H new ATOM 0 HB3 GLU A 47 -5.727 -4.298 16.212 1.00 52.32 H new ATOM 0 HG2 GLU A 47 -8.238 -4.431 17.279 1.00 64.20 H new ATOM 0 HG3 GLU A 47 -8.601 -3.742 15.709 1.00 64.20 H new ATOM 628 N ASP A 48 -5.425 -0.479 17.475 1.00 71.23 N ATOM 629 CA ASP A 48 -4.387 0.531 17.310 1.00 42.21 C ATOM 630 C ASP A 48 -3.664 0.787 18.629 1.00 4.53 C ATOM 631 O ASP A 48 -2.901 1.745 18.755 1.00 14.41 O ATOM 632 CB ASP A 48 -4.990 1.833 16.783 1.00 22.43 C ATOM 633 CG ASP A 48 -3.967 2.704 16.082 1.00 71.42 C ATOM 634 OD1 ASP A 48 -2.811 2.257 15.934 1.00 0.42 O ATOM 635 OD2 ASP A 48 -4.322 3.833 15.683 1.00 13.03 O ATOM 0 H ASP A 48 -6.346 -0.104 17.703 1.00 71.23 H new ATOM 0 HA ASP A 48 -3.663 0.157 16.586 1.00 42.21 H new ATOM 0 HB2 ASP A 48 -5.800 1.601 16.091 1.00 22.43 H new ATOM 0 HB3 ASP A 48 -5.428 2.388 17.612 1.00 22.43 H new ATOM 639 N ASN A 49 -3.911 -0.074 19.610 1.00 50.24 N ATOM 640 CA ASN A 49 -3.285 0.059 20.921 1.00 24.22 C ATOM 641 C ASN A 49 -1.767 -0.046 20.813 1.00 13.23 C ATOM 642 O ASN A 49 -1.036 0.441 21.675 1.00 2.22 O ATOM 643 CB ASN A 49 -3.816 -1.012 21.875 1.00 43.44 C ATOM 644 CG ASN A 49 -3.386 -2.409 21.471 1.00 42.41 C ATOM 645 OD1 ASN A 49 -2.218 -2.775 21.606 1.00 1.43 O ATOM 646 ND2 ASN A 49 -4.331 -3.198 20.972 1.00 3.13 N ATOM 0 H ASN A 49 -4.540 -0.872 19.523 1.00 50.24 H new ATOM 0 HA ASN A 49 -3.535 1.043 21.317 1.00 24.22 H new ATOM 0 HB2 ASN A 49 -3.462 -0.803 22.885 1.00 43.44 H new ATOM 0 HB3 ASN A 49 -4.905 -0.963 21.902 1.00 43.44 H new ATOM 0 HD21 ASN A 49 -4.101 -4.149 20.683 1.00 3.13 H new ATOM 0 HD22 ASN A 49 -5.286 -2.853 20.878 1.00 3.13 H new ATOM 652 N LYS A 50 -1.299 -0.686 19.746 1.00 63.45 N ATOM 653 CA LYS A 50 0.132 -0.856 19.522 1.00 25.21 C ATOM 654 C LYS A 50 0.691 0.291 18.685 1.00 72.42 C ATOM 655 O LYS A 50 1.892 0.558 18.705 1.00 14.43 O ATOM 656 CB LYS A 50 0.405 -2.190 18.825 1.00 13.01 C ATOM 657 CG LYS A 50 1.836 -2.339 18.336 1.00 33.22 C ATOM 658 CD LYS A 50 2.822 -2.339 19.492 1.00 32.13 C ATOM 659 CE LYS A 50 3.892 -3.405 19.311 1.00 62.53 C ATOM 660 NZ LYS A 50 3.387 -4.762 19.660 1.00 32.43 N ATOM 0 H LYS A 50 -1.890 -1.096 19.023 1.00 63.45 H new ATOM 0 HA LYS A 50 0.630 -0.852 20.492 1.00 25.21 H new ATOM 0 HB2 LYS A 50 0.179 -3.004 19.514 1.00 13.01 H new ATOM 0 HB3 LYS A 50 -0.272 -2.293 17.977 1.00 13.01 H new ATOM 0 HG2 LYS A 50 1.934 -3.267 17.772 1.00 33.22 H new ATOM 0 HG3 LYS A 50 2.075 -1.524 17.653 1.00 33.22 H new ATOM 0 HD2 LYS A 50 3.293 -1.359 19.570 1.00 32.13 H new ATOM 0 HD3 LYS A 50 2.289 -2.512 20.427 1.00 32.13 H new ATOM 0 HE2 LYS A 50 4.238 -3.401 18.277 1.00 62.53 H new ATOM 0 HE3 LYS A 50 4.752 -3.166 19.936 1.00 62.53 H new ATOM 0 HZ1 LYS A 50 4.145 -5.460 19.524 1.00 32.43 H new ATOM 0 HZ2 LYS A 50 3.080 -4.773 20.654 1.00 32.43 H new ATOM 0 HZ3 LYS A 50 2.582 -5.001 19.047 1.00 32.43 H new ATOM 670 N GLY A 51 -0.189 0.967 17.953 1.00 33.01 N ATOM 671 CA GLY A 51 0.236 2.078 17.122 1.00 1.03 C ATOM 672 C GLY A 51 0.717 3.263 17.937 1.00 53.45 C ATOM 673 O GLY A 51 1.496 4.083 17.454 1.00 1.42 O ATOM 0 H GLY A 51 -1.188 0.765 17.921 1.00 33.01 H new ATOM 0 HA2 GLY A 51 1.037 1.747 16.461 1.00 1.03 H new ATOM 0 HA3 GLY A 51 -0.593 2.390 16.487 1.00 1.03 H new ATOM 676 N VAL A 52 0.250 3.352 19.179 1.00 44.41 N ATOM 677 CA VAL A 52 0.637 4.445 20.063 1.00 52.01 C ATOM 678 C VAL A 52 2.110 4.346 20.446 1.00 60.50 C ATOM 679 O VAL A 52 2.809 5.356 20.530 1.00 43.20 O ATOM 680 CB VAL A 52 -0.216 4.457 21.346 1.00 11.33 C ATOM 681 CG1 VAL A 52 -1.691 4.602 21.004 1.00 55.04 C ATOM 682 CG2 VAL A 52 0.030 3.198 22.161 1.00 60.42 C ATOM 0 H VAL A 52 -0.396 2.681 19.595 1.00 44.41 H new ATOM 0 HA VAL A 52 0.468 5.372 19.514 1.00 52.01 H new ATOM 0 HB VAL A 52 0.079 5.315 21.950 1.00 11.33 H new ATOM 0 HG11 VAL A 52 -2.278 4.609 21.922 1.00 55.04 H new ATOM 0 HG12 VAL A 52 -1.849 5.536 20.465 1.00 55.04 H new ATOM 0 HG13 VAL A 52 -2.004 3.765 20.379 1.00 55.04 H new ATOM 0 HG21 VAL A 52 -0.581 3.224 23.063 1.00 60.42 H new ATOM 0 HG22 VAL A 52 -0.236 2.323 21.568 1.00 60.42 H new ATOM 0 HG23 VAL A 52 1.083 3.143 22.437 1.00 60.42 H new ATOM 692 N PHE A 53 2.575 3.123 20.679 1.00 21.32 N ATOM 693 CA PHE A 53 3.964 2.892 21.054 1.00 4.00 C ATOM 694 C PHE A 53 4.857 2.820 19.819 1.00 3.14 C ATOM 695 O PHE A 53 6.080 2.756 19.928 1.00 44.45 O ATOM 696 CB PHE A 53 4.088 1.598 21.863 1.00 2.51 C ATOM 697 CG PHE A 53 3.798 1.776 23.325 1.00 71.14 C ATOM 698 CD1 PHE A 53 4.810 2.106 24.212 1.00 0.42 C ATOM 699 CD2 PHE A 53 2.512 1.611 23.816 1.00 14.55 C ATOM 700 CE1 PHE A 53 4.547 2.270 25.558 1.00 52.10 C ATOM 701 CE2 PHE A 53 2.242 1.774 25.161 1.00 15.30 C ATOM 702 CZ PHE A 53 3.261 2.102 26.033 1.00 31.34 C ATOM 0 H PHE A 53 2.009 2.277 20.615 1.00 21.32 H new ATOM 0 HA PHE A 53 4.292 3.730 21.669 1.00 4.00 H new ATOM 0 HB2 PHE A 53 3.404 0.855 21.453 1.00 2.51 H new ATOM 0 HB3 PHE A 53 5.096 1.201 21.746 1.00 2.51 H new ATOM 0 HD1 PHE A 53 5.818 2.237 23.846 1.00 0.42 H new ATOM 0 HD2 PHE A 53 1.712 1.352 23.139 1.00 14.55 H new ATOM 0 HE1 PHE A 53 5.345 2.529 26.238 1.00 52.10 H new ATOM 0 HE2 PHE A 53 1.235 1.645 25.530 1.00 15.30 H new ATOM 0 HZ PHE A 53 3.053 2.227 27.085 1.00 31.34 H new ATOM 711 N GLN A 54 4.234 2.832 18.645 1.00 44.02 N ATOM 712 CA GLN A 54 4.971 2.767 17.389 1.00 30.11 C ATOM 713 C GLN A 54 5.927 3.948 17.257 1.00 44.12 C ATOM 714 O GLN A 54 6.921 3.878 16.536 1.00 45.44 O ATOM 715 CB GLN A 54 4.003 2.745 16.204 1.00 24.42 C ATOM 716 CG GLN A 54 4.303 1.652 15.193 1.00 75.03 C ATOM 717 CD GLN A 54 4.395 0.278 15.828 1.00 31.32 C ATOM 718 OE1 GLN A 54 3.553 -0.098 16.644 1.00 13.14 O ATOM 719 NE2 GLN A 54 5.420 -0.479 15.458 1.00 3.43 N ATOM 0 H GLN A 54 3.221 2.886 18.538 1.00 44.02 H new ATOM 0 HA GLN A 54 5.556 1.847 17.388 1.00 30.11 H new ATOM 0 HB2 GLN A 54 2.988 2.614 16.578 1.00 24.42 H new ATOM 0 HB3 GLN A 54 4.035 3.712 15.702 1.00 24.42 H new ATOM 0 HG2 GLN A 54 3.524 1.644 14.430 1.00 75.03 H new ATOM 0 HG3 GLN A 54 5.242 1.878 14.687 1.00 75.03 H new ATOM 0 HE21 GLN A 54 6.095 -0.127 14.778 1.00 3.43 H new ATOM 0 HE22 GLN A 54 5.533 -1.413 15.853 1.00 3.43 H new ATOM 726 N GLY A 55 5.619 5.035 17.959 1.00 30.52 N ATOM 727 CA GLY A 55 6.460 6.216 17.906 1.00 64.31 C ATOM 728 C GLY A 55 7.529 6.215 18.981 1.00 72.42 C ATOM 729 O GLY A 55 8.698 6.484 18.705 1.00 62.04 O ATOM 0 H GLY A 55 4.802 5.118 18.563 1.00 30.52 H new ATOM 0 HA2 GLY A 55 6.934 6.277 16.926 1.00 64.31 H new ATOM 0 HA3 GLY A 55 5.840 7.105 18.016 1.00 64.31 H new ATOM 732 N VAL A 56 7.129 5.913 20.213 1.00 34.23 N ATOM 733 CA VAL A 56 8.060 5.878 21.333 1.00 25.24 C ATOM 734 C VAL A 56 9.044 4.722 21.194 1.00 25.41 C ATOM 735 O VAL A 56 10.223 4.854 21.524 1.00 3.01 O ATOM 736 CB VAL A 56 7.318 5.748 22.676 1.00 25.41 C ATOM 737 CG1 VAL A 56 6.433 6.962 22.918 1.00 15.31 C ATOM 738 CG2 VAL A 56 6.499 4.466 22.710 1.00 24.20 C ATOM 0 H VAL A 56 6.165 5.689 20.460 1.00 34.23 H new ATOM 0 HA VAL A 56 8.607 6.821 21.319 1.00 25.24 H new ATOM 0 HB VAL A 56 8.057 5.702 23.476 1.00 25.41 H new ATOM 0 HG11 VAL A 56 5.917 6.852 23.872 1.00 15.31 H new ATOM 0 HG12 VAL A 56 7.048 7.862 22.940 1.00 15.31 H new ATOM 0 HG13 VAL A 56 5.699 7.043 22.116 1.00 15.31 H new ATOM 0 HG21 VAL A 56 5.981 4.390 23.666 1.00 24.20 H new ATOM 0 HG22 VAL A 56 5.768 4.480 21.902 1.00 24.20 H new ATOM 0 HG23 VAL A 56 7.160 3.608 22.587 1.00 24.20 H new ATOM 748 N HIS A 57 8.552 3.589 20.705 1.00 3.24 N ATOM 749 CA HIS A 57 9.389 2.409 20.520 1.00 71.41 C ATOM 750 C HIS A 57 10.657 2.757 19.747 1.00 73.14 C ATOM 751 O HIS A 57 11.767 2.474 20.198 1.00 14.41 O ATOM 752 CB HIS A 57 8.611 1.317 19.785 1.00 51.14 C ATOM 753 CG HIS A 57 9.421 0.088 19.508 1.00 45.41 C ATOM 754 ND1 HIS A 57 10.249 -0.495 20.445 1.00 2.31 N ATOM 755 CD2 HIS A 57 9.528 -0.670 18.392 1.00 53.02 C ATOM 756 CE1 HIS A 57 10.830 -1.558 19.917 1.00 1.05 C ATOM 757 NE2 HIS A 57 10.409 -1.686 18.672 1.00 53.21 N ATOM 0 H HIS A 57 7.578 3.463 20.430 1.00 3.24 H new ATOM 0 HA HIS A 57 9.676 2.040 21.504 1.00 71.41 H new ATOM 0 HB2 HIS A 57 7.739 1.041 20.378 1.00 51.14 H new ATOM 0 HB3 HIS A 57 8.241 1.718 18.842 1.00 51.14 H new ATOM 0 HD2 HIS A 57 9.016 -0.506 17.455 1.00 53.02 H new ATOM 0 HE1 HIS A 57 11.530 -2.211 20.418 1.00 1.05 H new ATOM 0 HE2 HIS A 57 10.692 -2.420 18.023 1.00 53.21 H new ATOM 764 N ASP A 58 10.484 3.370 18.582 1.00 35.04 N ATOM 765 CA ASP A 58 11.614 3.757 17.746 1.00 12.23 C ATOM 766 C ASP A 58 12.382 4.915 18.373 1.00 25.22 C ATOM 767 O ASP A 58 13.507 5.216 17.973 1.00 45.14 O ATOM 768 CB ASP A 58 11.132 4.146 16.347 1.00 33.42 C ATOM 769 CG ASP A 58 11.942 3.484 15.251 1.00 11.51 C ATOM 770 OD1 ASP A 58 12.144 2.253 15.323 1.00 23.22 O ATOM 771 OD2 ASP A 58 12.375 4.196 14.320 1.00 41.34 O ATOM 0 H ASP A 58 9.571 3.610 18.195 1.00 35.04 H new ATOM 0 HA ASP A 58 12.284 2.901 17.666 1.00 12.23 H new ATOM 0 HB2 ASP A 58 10.083 3.869 16.237 1.00 33.42 H new ATOM 0 HB3 ASP A 58 11.190 5.229 16.234 1.00 33.42 H new ATOM 775 N SER A 59 11.767 5.563 19.357 1.00 5.20 N ATOM 776 CA SER A 59 12.391 6.693 20.037 1.00 70.11 C ATOM 777 C SER A 59 13.271 6.215 21.188 1.00 63.12 C ATOM 778 O SER A 59 14.228 6.886 21.572 1.00 42.42 O ATOM 779 CB SER A 59 11.322 7.654 20.562 1.00 51.41 C ATOM 780 OG SER A 59 11.889 8.625 21.423 1.00 42.01 O ATOM 0 H SER A 59 10.837 5.325 19.702 1.00 5.20 H new ATOM 0 HA SER A 59 13.018 7.218 19.316 1.00 70.11 H new ATOM 0 HB2 SER A 59 10.830 8.149 19.724 1.00 51.41 H new ATOM 0 HB3 SER A 59 10.555 7.093 21.096 1.00 51.41 H new ATOM 0 HG SER A 59 11.186 9.228 21.744 1.00 42.01 H new ATOM 785 N ALA A 60 12.939 5.049 21.734 1.00 22.24 N ATOM 786 CA ALA A 60 13.699 4.480 22.840 1.00 20.23 C ATOM 787 C ALA A 60 14.988 3.833 22.345 1.00 31.14 C ATOM 788 O ALA A 60 15.795 3.350 23.138 1.00 4.10 O ATOM 789 CB ALA A 60 12.853 3.466 23.595 1.00 73.01 C ATOM 0 H ALA A 60 12.149 4.481 21.428 1.00 22.24 H new ATOM 0 HA ALA A 60 13.967 5.290 23.519 1.00 20.23 H new ATOM 0 HB1 ALA A 60 13.433 3.049 24.418 1.00 73.01 H new ATOM 0 HB2 ALA A 60 11.963 3.957 23.990 1.00 73.01 H new ATOM 0 HB3 ALA A 60 12.555 2.665 22.919 1.00 73.01 H new ATOM 795 N GLU A 61 15.173 3.825 21.028 1.00 32.44 N ATOM 796 CA GLU A 61 16.363 3.235 20.428 1.00 42.22 C ATOM 797 C GLU A 61 17.629 3.762 21.098 1.00 1.03 C ATOM 798 O GLU A 61 18.629 3.054 21.209 1.00 54.23 O ATOM 799 CB GLU A 61 16.406 3.532 18.928 1.00 1.03 C ATOM 800 CG GLU A 61 17.594 2.907 18.217 1.00 12.40 C ATOM 801 CD GLU A 61 17.884 3.559 16.879 1.00 64.50 C ATOM 802 OE1 GLU A 61 16.989 3.551 16.009 1.00 21.12 O ATOM 803 OE2 GLU A 61 19.007 4.078 16.704 1.00 33.04 O ATOM 0 H GLU A 61 14.514 4.220 20.357 1.00 32.44 H new ATOM 0 HA GLU A 61 16.316 2.156 20.576 1.00 42.22 H new ATOM 0 HB2 GLU A 61 15.487 3.170 18.468 1.00 1.03 H new ATOM 0 HB3 GLU A 61 16.432 4.612 18.781 1.00 1.03 H new ATOM 0 HG2 GLU A 61 18.475 2.985 18.853 1.00 12.40 H new ATOM 0 HG3 GLU A 61 17.404 1.845 18.065 1.00 12.40 H new ATOM 808 N LYS A 62 17.578 5.013 21.544 1.00 62.03 N ATOM 809 CA LYS A 62 18.718 5.638 22.204 1.00 12.04 C ATOM 810 C LYS A 62 18.920 5.061 23.601 1.00 62.43 C ATOM 811 O LYS A 62 20.030 4.679 23.972 1.00 12.00 O ATOM 812 CB LYS A 62 18.516 7.153 22.290 1.00 43.25 C ATOM 813 CG LYS A 62 19.486 7.945 21.429 1.00 64.04 C ATOM 814 CD LYS A 62 20.724 8.349 22.212 1.00 21.42 C ATOM 815 CE LYS A 62 21.631 7.157 22.475 1.00 64.54 C ATOM 816 NZ LYS A 62 22.982 7.580 22.940 1.00 40.41 N ATOM 0 H LYS A 62 16.758 5.614 21.460 1.00 62.03 H new ATOM 0 HA LYS A 62 19.609 5.430 21.612 1.00 12.04 H new ATOM 0 HB2 LYS A 62 17.496 7.393 21.989 1.00 43.25 H new ATOM 0 HB3 LYS A 62 18.624 7.467 23.328 1.00 43.25 H new ATOM 0 HG2 LYS A 62 19.779 7.348 20.566 1.00 64.04 H new ATOM 0 HG3 LYS A 62 18.990 8.837 21.046 1.00 64.04 H new ATOM 0 HD2 LYS A 62 21.273 9.110 21.658 1.00 21.42 H new ATOM 0 HD3 LYS A 62 20.426 8.797 23.160 1.00 21.42 H new ATOM 0 HE2 LYS A 62 21.174 6.512 23.225 1.00 64.54 H new ATOM 0 HE3 LYS A 62 21.729 6.567 21.564 1.00 64.54 H new ATOM 0 HZ1 LYS A 62 23.570 6.739 23.108 1.00 40.41 H new ATOM 0 HZ2 LYS A 62 23.429 8.175 22.213 1.00 40.41 H new ATOM 0 HZ3 LYS A 62 22.891 8.121 23.823 1.00 40.41 H new ATOM 826 N GLY A 63 17.840 5.000 24.374 1.00 23.43 N ATOM 827 CA GLY A 63 17.920 4.468 25.722 1.00 43.32 C ATOM 828 C GLY A 63 18.024 2.956 25.743 1.00 32.03 C ATOM 829 O GLY A 63 18.180 2.351 26.804 1.00 54.50 O ATOM 0 H GLY A 63 16.910 5.310 24.091 1.00 23.43 H new ATOM 0 HA2 GLY A 63 18.786 4.896 26.227 1.00 43.32 H new ATOM 0 HA3 GLY A 63 17.038 4.776 26.284 1.00 43.32 H new ATOM 832 N LYS A 64 17.934 2.342 24.567 1.00 43.12 N ATOM 833 CA LYS A 64 18.018 0.891 24.453 1.00 42.23 C ATOM 834 C LYS A 64 19.338 0.471 23.812 1.00 14.23 C ATOM 835 O LYS A 64 19.539 -0.701 23.496 1.00 55.54 O ATOM 836 CB LYS A 64 16.846 0.355 23.630 1.00 11.44 C ATOM 837 CG LYS A 64 16.226 -0.907 24.203 1.00 31.42 C ATOM 838 CD LYS A 64 15.402 -0.608 25.445 1.00 30.51 C ATOM 839 CE LYS A 64 14.203 -1.537 25.555 1.00 70.55 C ATOM 840 NZ LYS A 64 14.480 -2.697 26.447 1.00 65.44 N ATOM 0 H LYS A 64 17.803 2.828 23.680 1.00 43.12 H new ATOM 0 HA LYS A 64 17.972 0.469 25.457 1.00 42.23 H new ATOM 0 HB2 LYS A 64 16.079 1.127 23.560 1.00 11.44 H new ATOM 0 HB3 LYS A 64 17.188 0.153 22.615 1.00 11.44 H new ATOM 0 HG2 LYS A 64 15.594 -1.377 23.450 1.00 31.42 H new ATOM 0 HG3 LYS A 64 17.012 -1.620 24.450 1.00 31.42 H new ATOM 0 HD2 LYS A 64 16.027 -0.713 26.332 1.00 30.51 H new ATOM 0 HD3 LYS A 64 15.061 0.427 25.416 1.00 30.51 H new ATOM 0 HE2 LYS A 64 13.347 -0.981 25.937 1.00 70.55 H new ATOM 0 HE3 LYS A 64 13.931 -1.898 24.563 1.00 70.55 H new ATOM 0 HZ1 LYS A 64 13.639 -3.306 26.496 1.00 65.44 H new ATOM 0 HZ2 LYS A 64 15.281 -3.242 26.069 1.00 65.44 H new ATOM 0 HZ3 LYS A 64 14.714 -2.354 27.400 1.00 65.44 H new ATOM 850 N ASP A 65 20.232 1.435 23.623 1.00 21.23 N ATOM 851 CA ASP A 65 21.533 1.165 23.022 1.00 52.20 C ATOM 852 C ASP A 65 22.650 1.325 24.049 1.00 34.23 C ATOM 853 O ASP A 65 23.829 1.352 23.699 1.00 14.10 O ATOM 854 CB ASP A 65 21.775 2.101 21.836 1.00 71.42 C ATOM 855 CG ASP A 65 21.432 1.453 20.509 1.00 24.22 C ATOM 856 OD1 ASP A 65 20.391 0.768 20.435 1.00 43.24 O ATOM 857 OD2 ASP A 65 22.205 1.633 19.544 1.00 32.10 O ATOM 0 H ASP A 65 20.080 2.411 23.877 1.00 21.23 H new ATOM 0 HA ASP A 65 21.535 0.134 22.668 1.00 52.20 H new ATOM 0 HB2 ASP A 65 21.178 3.004 21.961 1.00 71.42 H new ATOM 0 HB3 ASP A 65 22.820 2.409 21.827 1.00 71.42 H new ATOM 861 N ASN A 66 22.269 1.431 25.318 1.00 42.21 N ATOM 862 CA ASN A 66 23.239 1.590 26.395 1.00 61.42 C ATOM 863 C ASN A 66 24.467 0.719 26.154 1.00 44.45 C ATOM 864 O ASN A 66 25.594 1.125 26.440 1.00 52.45 O ATOM 865 CB ASN A 66 22.602 1.232 27.739 1.00 75.44 C ATOM 866 CG ASN A 66 22.322 -0.253 27.869 1.00 34.53 C ATOM 867 OD1 ASN A 66 21.704 -0.830 26.845 1.00 70.32 O flip ATOM 868 ND2 ASN A 66 22.656 -0.874 28.878 1.00 12.43 N flip ATOM 0 H ASN A 66 21.297 1.410 25.625 1.00 42.21 H new ATOM 0 HA ASN A 66 23.554 2.633 26.416 1.00 61.42 H new ATOM 0 HB2 ASN A 66 23.263 1.546 28.547 1.00 75.44 H new ATOM 0 HB3 ASN A 66 21.671 1.786 27.856 1.00 75.44 H new ATOM 0 HD21 ASN A 66 23.129 -0.390 29.641 1.00 12.43 H new ATOM 0 HD22 ASN A 66 22.460 -1.872 28.951 1.00 12.43 H new ATOM 874 N ALA A 67 24.242 -0.480 25.627 1.00 4.00 N ATOM 875 CA ALA A 67 25.331 -1.407 25.345 1.00 14.24 C ATOM 876 C ALA A 67 26.422 -0.737 24.517 1.00 1.24 C ATOM 877 O ALA A 67 27.581 -0.682 24.928 1.00 61.52 O ATOM 878 CB ALA A 67 24.802 -2.639 24.625 1.00 61.11 C ATOM 0 H ALA A 67 23.315 -0.832 25.387 1.00 4.00 H new ATOM 0 HA ALA A 67 25.769 -1.714 26.295 1.00 14.24 H new ATOM 0 HB1 ALA A 67 25.626 -3.323 24.421 1.00 61.11 H new ATOM 0 HB2 ALA A 67 24.063 -3.138 25.252 1.00 61.11 H new ATOM 0 HB3 ALA A 67 24.337 -2.340 23.686 1.00 61.11 H new ATOM 884 N GLU A 68 26.045 -0.230 23.347 1.00 31.54 N ATOM 885 CA GLU A 68 26.993 0.435 22.461 1.00 73.12 C ATOM 886 C GLU A 68 27.765 1.520 23.207 1.00 53.30 C ATOM 887 O GLU A 68 27.435 1.864 24.342 1.00 12.41 O ATOM 888 CB GLU A 68 26.263 1.045 21.263 1.00 71.11 C ATOM 889 CG GLU A 68 27.152 1.242 20.045 1.00 71.31 C ATOM 890 CD GLU A 68 26.357 1.455 18.771 1.00 61.41 C ATOM 891 OE1 GLU A 68 25.830 2.572 18.583 1.00 52.54 O ATOM 892 OE2 GLU A 68 26.261 0.507 17.965 1.00 41.20 O ATOM 0 H GLU A 68 25.090 -0.267 22.991 1.00 31.54 H new ATOM 0 HA GLU A 68 27.703 -0.311 22.103 1.00 73.12 H new ATOM 0 HB2 GLU A 68 25.426 0.401 20.992 1.00 71.11 H new ATOM 0 HB3 GLU A 68 25.843 2.007 21.555 1.00 71.11 H new ATOM 0 HG2 GLU A 68 27.803 2.100 20.210 1.00 71.31 H new ATOM 0 HG3 GLU A 68 27.796 0.371 19.925 1.00 71.31 H new ATOM 897 N GLY A 69 28.795 2.056 22.560 1.00 50.31 N ATOM 898 CA GLY A 69 29.599 3.095 23.175 1.00 71.25 C ATOM 899 C GLY A 69 28.757 4.222 23.738 1.00 25.12 C ATOM 900 O GLY A 69 27.562 4.310 23.460 1.00 35.55 O ATOM 0 H GLY A 69 29.087 1.789 21.620 1.00 50.31 H new ATOM 0 HA2 GLY A 69 30.200 2.660 23.974 1.00 71.25 H new ATOM 0 HA3 GLY A 69 30.293 3.498 22.437 1.00 71.25 H new ATOM 903 N GLN A 70 29.381 5.086 24.533 1.00 11.54 N ATOM 904 CA GLN A 70 28.680 6.212 25.137 1.00 60.51 C ATOM 905 C GLN A 70 28.157 7.165 24.068 1.00 31.53 C ATOM 906 O GLN A 70 28.346 6.938 22.874 1.00 30.05 O ATOM 907 CB GLN A 70 29.605 6.961 26.097 1.00 2.15 C ATOM 908 CG GLN A 70 29.043 7.100 27.502 1.00 32.14 C ATOM 909 CD GLN A 70 30.126 7.229 28.555 1.00 23.41 C ATOM 910 OE1 GLN A 70 30.173 8.211 29.296 1.00 25.54 O ATOM 911 NE2 GLN A 70 31.003 6.235 28.627 1.00 11.22 N ATOM 0 H GLN A 70 30.371 5.027 24.773 1.00 11.54 H new ATOM 0 HA GLN A 70 27.830 5.820 25.695 1.00 60.51 H new ATOM 0 HB2 GLN A 70 30.561 6.440 26.147 1.00 2.15 H new ATOM 0 HB3 GLN A 70 29.804 7.954 25.695 1.00 2.15 H new ATOM 0 HG2 GLN A 70 28.394 7.975 27.545 1.00 32.14 H new ATOM 0 HG3 GLN A 70 28.423 6.232 27.728 1.00 32.14 H new ATOM 0 HE21 GLN A 70 30.926 5.440 27.993 1.00 11.22 H new ATOM 0 HE22 GLN A 70 31.754 6.266 29.317 1.00 11.22 H new ATOM 918 N GLY A 71 27.496 8.234 24.506 1.00 55.24 N ATOM 919 CA GLY A 71 26.955 9.205 23.574 1.00 54.44 C ATOM 920 C GLY A 71 26.263 10.357 24.274 1.00 0.43 C ATOM 921 O GLY A 71 26.706 11.503 24.182 1.00 75.44 O ATOM 0 H GLY A 71 27.326 8.444 25.490 1.00 55.24 H new ATOM 0 HA2 GLY A 71 27.760 9.594 22.951 1.00 54.44 H new ATOM 0 HA3 GLY A 71 26.247 8.710 22.909 1.00 54.44 H new ATOM 924 N GLU A 72 25.173 10.055 24.972 1.00 62.24 N ATOM 925 CA GLU A 72 24.418 11.077 25.688 1.00 31.41 C ATOM 926 C GLU A 72 24.758 11.063 27.176 1.00 41.53 C ATOM 927 O GLU A 72 24.198 11.830 27.958 1.00 73.44 O ATOM 928 CB GLU A 72 22.916 10.860 25.496 1.00 10.15 C ATOM 929 CG GLU A 72 22.470 10.934 24.045 1.00 5.11 C ATOM 930 CD GLU A 72 22.207 12.356 23.588 1.00 22.33 C ATOM 931 OE1 GLU A 72 21.075 12.844 23.790 1.00 71.40 O ATOM 932 OE2 GLU A 72 23.132 12.981 23.028 1.00 51.11 O ATOM 0 H GLU A 72 24.793 9.112 25.057 1.00 62.24 H new ATOM 0 HA GLU A 72 24.694 12.049 25.279 1.00 31.41 H new ATOM 0 HB2 GLU A 72 22.644 9.886 25.902 1.00 10.15 H new ATOM 0 HB3 GLU A 72 22.373 11.609 26.073 1.00 10.15 H new ATOM 0 HG2 GLU A 72 23.236 10.488 23.410 1.00 5.11 H new ATOM 0 HG3 GLU A 72 21.564 10.341 23.916 1.00 5.11 H new ATOM 937 N SER A 73 25.681 10.186 27.558 1.00 13.33 N ATOM 938 CA SER A 73 26.094 10.068 28.951 1.00 25.23 C ATOM 939 C SER A 73 25.129 9.180 29.731 1.00 14.12 C ATOM 940 O SER A 73 23.933 9.135 29.438 1.00 3.30 O ATOM 941 CB SER A 73 26.170 11.451 29.600 1.00 65.34 C ATOM 942 OG SER A 73 26.616 12.426 28.674 1.00 22.12 O ATOM 0 H SER A 73 26.157 9.547 26.922 1.00 13.33 H new ATOM 0 HA SER A 73 27.082 9.608 28.974 1.00 25.23 H new ATOM 0 HB2 SER A 73 25.188 11.731 29.983 1.00 65.34 H new ATOM 0 HB3 SER A 73 26.847 11.419 30.453 1.00 65.34 H new ATOM 0 HG SER A 73 25.843 12.895 28.295 1.00 22.12 H new ATOM 947 N LEU A 74 25.657 8.474 30.724 1.00 71.34 N ATOM 948 CA LEU A 74 24.843 7.586 31.548 1.00 42.53 C ATOM 949 C LEU A 74 23.719 8.357 32.233 1.00 50.44 C ATOM 950 O LEU A 74 22.779 7.764 32.760 1.00 74.43 O ATOM 951 CB LEU A 74 25.713 6.891 32.596 1.00 63.00 C ATOM 952 CG LEU A 74 26.867 6.046 32.057 1.00 41.13 C ATOM 953 CD1 LEU A 74 26.488 5.411 30.729 1.00 52.45 C ATOM 954 CD2 LEU A 74 28.124 6.891 31.907 1.00 73.53 C ATOM 0 H LEU A 74 26.644 8.499 30.979 1.00 71.34 H new ATOM 0 HA LEU A 74 24.398 6.833 30.897 1.00 42.53 H new ATOM 0 HB2 LEU A 74 26.125 7.652 33.259 1.00 63.00 H new ATOM 0 HB3 LEU A 74 25.073 6.251 33.204 1.00 63.00 H new ATOM 0 HG LEU A 74 27.073 5.249 32.772 1.00 41.13 H new ATOM 0 HD11 LEU A 74 27.322 4.813 30.360 1.00 52.45 H new ATOM 0 HD12 LEU A 74 25.616 4.772 30.867 1.00 52.45 H new ATOM 0 HD13 LEU A 74 26.254 6.192 30.006 1.00 52.45 H new ATOM 0 HD21 LEU A 74 28.935 6.272 31.522 1.00 73.53 H new ATOM 0 HD22 LEU A 74 27.932 7.709 31.213 1.00 73.53 H new ATOM 0 HD23 LEU A 74 28.407 7.297 32.878 1.00 73.53 H new ATOM 965 N ALA A 75 23.822 9.681 32.219 1.00 3.51 N ATOM 966 CA ALA A 75 22.813 10.533 32.834 1.00 70.51 C ATOM 967 C ALA A 75 21.604 10.703 31.919 1.00 53.31 C ATOM 968 O ALA A 75 20.493 10.959 32.383 1.00 44.23 O ATOM 969 CB ALA A 75 23.407 11.890 33.183 1.00 12.43 C ATOM 0 H ALA A 75 24.595 10.188 31.788 1.00 3.51 H new ATOM 0 HA ALA A 75 22.477 10.049 33.751 1.00 70.51 H new ATOM 0 HB1 ALA A 75 22.641 12.515 33.642 1.00 12.43 H new ATOM 0 HB2 ALA A 75 24.233 11.757 33.882 1.00 12.43 H new ATOM 0 HB3 ALA A 75 23.773 12.371 32.276 1.00 12.43 H new ATOM 975 N ASP A 76 21.830 10.558 30.619 1.00 15.41 N ATOM 976 CA ASP A 76 20.759 10.695 29.637 1.00 54.45 C ATOM 977 C ASP A 76 19.698 9.617 29.838 1.00 24.45 C ATOM 978 O ASP A 76 18.508 9.861 29.635 1.00 70.44 O ATOM 979 CB ASP A 76 21.324 10.612 28.219 1.00 5.45 C ATOM 980 CG ASP A 76 20.250 10.753 27.158 1.00 10.41 C ATOM 981 OD1 ASP A 76 19.563 9.750 26.872 1.00 71.14 O ATOM 982 OD2 ASP A 76 20.096 11.866 26.614 1.00 41.24 O ATOM 0 H ASP A 76 22.744 10.346 30.220 1.00 15.41 H new ATOM 0 HA ASP A 76 20.293 11.670 29.777 1.00 54.45 H new ATOM 0 HB2 ASP A 76 22.071 11.394 28.082 1.00 5.45 H new ATOM 0 HB3 ASP A 76 21.835 9.658 28.090 1.00 5.45 H new ATOM 986 N GLN A 77 20.137 8.428 30.236 1.00 72.33 N ATOM 987 CA GLN A 77 19.224 7.313 30.462 1.00 21.21 C ATOM 988 C GLN A 77 18.712 7.312 31.899 1.00 31.40 C ATOM 989 O GLN A 77 17.542 7.025 32.151 1.00 72.35 O ATOM 990 CB GLN A 77 19.919 5.987 30.155 1.00 54.32 C ATOM 991 CG GLN A 77 20.887 6.064 28.985 1.00 53.41 C ATOM 992 CD GLN A 77 20.307 6.803 27.796 1.00 23.01 C ATOM 993 OE1 GLN A 77 19.102 6.754 27.546 1.00 71.24 O ATOM 994 NE2 GLN A 77 21.163 7.497 27.055 1.00 44.52 N ATOM 0 H GLN A 77 21.119 8.211 30.409 1.00 72.33 H new ATOM 0 HA GLN A 77 18.372 7.432 29.792 1.00 21.21 H new ATOM 0 HB2 GLN A 77 20.459 5.656 31.042 1.00 54.32 H new ATOM 0 HB3 GLN A 77 19.163 5.231 29.941 1.00 54.32 H new ATOM 0 HG2 GLN A 77 21.801 6.562 29.307 1.00 53.41 H new ATOM 0 HG3 GLN A 77 21.164 5.055 28.681 1.00 53.41 H new ATOM 0 HE21 GLN A 77 22.154 7.510 27.298 1.00 44.52 H new ATOM 0 HE22 GLN A 77 20.830 8.017 26.243 1.00 44.52 H new ATOM 1001 N ALA A 78 19.596 7.635 32.837 1.00 5.20 N ATOM 1002 CA ALA A 78 19.233 7.672 34.248 1.00 62.52 C ATOM 1003 C ALA A 78 17.906 8.394 34.455 1.00 62.40 C ATOM 1004 O ALA A 78 17.136 8.052 35.352 1.00 63.45 O ATOM 1005 CB ALA A 78 20.333 8.343 35.059 1.00 1.10 C ATOM 0 H ALA A 78 20.569 7.875 32.645 1.00 5.20 H new ATOM 0 HA ALA A 78 19.116 6.645 34.594 1.00 62.52 H new ATOM 0 HB1 ALA A 78 20.048 8.364 36.111 1.00 1.10 H new ATOM 0 HB2 ALA A 78 21.262 7.784 34.945 1.00 1.10 H new ATOM 0 HB3 ALA A 78 20.478 9.363 34.702 1.00 1.10 H new ATOM 1011 N ARG A 79 17.645 9.394 33.619 1.00 53.02 N ATOM 1012 CA ARG A 79 16.411 10.165 33.712 1.00 63.13 C ATOM 1013 C ARG A 79 15.243 9.397 33.102 1.00 13.42 C ATOM 1014 O ARG A 79 14.163 9.320 33.688 1.00 41.12 O ATOM 1015 CB ARG A 79 16.573 11.513 33.007 1.00 31.03 C ATOM 1016 CG ARG A 79 16.524 11.417 31.491 1.00 43.41 C ATOM 1017 CD ARG A 79 16.965 12.717 30.836 1.00 21.42 C ATOM 1018 NE ARG A 79 18.415 12.886 30.875 1.00 33.22 N ATOM 1019 CZ ARG A 79 19.031 14.027 30.584 1.00 34.11 C ATOM 1020 NH1 ARG A 79 18.325 15.094 30.234 1.00 55.32 N ATOM 1021 NH2 ARG A 79 20.353 14.101 30.642 1.00 44.21 N ATOM 0 H ARG A 79 18.271 9.689 32.870 1.00 53.02 H new ATOM 0 HA ARG A 79 16.198 10.338 34.767 1.00 63.13 H new ATOM 0 HB2 ARG A 79 15.786 12.187 33.346 1.00 31.03 H new ATOM 0 HB3 ARG A 79 17.523 11.957 33.304 1.00 31.03 H new ATOM 0 HG2 ARG A 79 17.167 10.603 31.156 1.00 43.41 H new ATOM 0 HG3 ARG A 79 15.510 11.174 31.173 1.00 43.41 H new ATOM 0 HD2 ARG A 79 16.626 12.734 29.800 1.00 21.42 H new ATOM 0 HD3 ARG A 79 16.489 13.557 31.341 1.00 21.42 H new ATOM 0 HE ARG A 79 18.987 12.084 31.140 1.00 33.22 H new ATOM 0 HH11 ARG A 79 17.307 15.040 30.188 1.00 55.32 H new ATOM 0 HH12 ARG A 79 18.800 15.969 30.011 1.00 55.32 H new ATOM 0 HH21 ARG A 79 20.898 13.282 30.910 1.00 44.21 H new ATOM 0 HH22 ARG A 79 20.825 14.977 30.418 1.00 44.21 H new ATOM 1032 N ASP A 80 15.466 8.831 31.921 1.00 11.30 N ATOM 1033 CA ASP A 80 14.432 8.068 31.230 1.00 62.30 C ATOM 1034 C ASP A 80 14.450 6.607 31.671 1.00 34.13 C ATOM 1035 O ASP A 80 13.441 6.077 32.137 1.00 33.10 O ATOM 1036 CB ASP A 80 14.626 8.160 29.716 1.00 55.21 C ATOM 1037 CG ASP A 80 14.440 9.571 29.193 1.00 71.14 C ATOM 1038 OD1 ASP A 80 13.629 10.317 29.778 1.00 34.51 O ATOM 1039 OD2 ASP A 80 15.105 9.926 28.198 1.00 25.33 O ATOM 0 H ASP A 80 16.354 8.886 31.422 1.00 11.30 H new ATOM 0 HA ASP A 80 13.464 8.496 31.490 1.00 62.30 H new ATOM 0 HB2 ASP A 80 15.625 7.809 29.459 1.00 55.21 H new ATOM 0 HB3 ASP A 80 13.918 7.496 29.221 1.00 55.21 H new ATOM 1043 N TYR A 81 15.602 5.963 31.519 1.00 74.41 N ATOM 1044 CA TYR A 81 15.749 4.562 31.897 1.00 65.32 C ATOM 1045 C TYR A 81 15.027 4.274 33.210 1.00 34.12 C ATOM 1046 O TYR A 81 14.122 3.441 33.263 1.00 14.15 O ATOM 1047 CB TYR A 81 17.229 4.201 32.028 1.00 51.41 C ATOM 1048 CG TYR A 81 17.499 2.715 31.948 1.00 63.44 C ATOM 1049 CD1 TYR A 81 16.895 1.929 30.975 1.00 24.13 C ATOM 1050 CD2 TYR A 81 18.359 2.098 32.849 1.00 74.11 C ATOM 1051 CE1 TYR A 81 17.138 0.572 30.901 1.00 14.14 C ATOM 1052 CE2 TYR A 81 18.609 0.740 32.780 1.00 63.51 C ATOM 1053 CZ TYR A 81 17.996 -0.018 31.806 1.00 15.32 C ATOM 1054 OH TYR A 81 18.241 -1.370 31.734 1.00 45.52 O ATOM 0 H TYR A 81 16.447 6.388 31.137 1.00 74.41 H new ATOM 0 HA TYR A 81 15.300 3.951 31.114 1.00 65.32 H new ATOM 0 HB2 TYR A 81 17.789 4.706 31.241 1.00 51.41 H new ATOM 0 HB3 TYR A 81 17.604 4.579 32.979 1.00 51.41 H new ATOM 0 HD1 TYR A 81 16.224 2.387 30.264 1.00 24.13 H new ATOM 0 HD2 TYR A 81 18.839 2.689 33.615 1.00 74.11 H new ATOM 0 HE1 TYR A 81 16.659 -0.025 30.139 1.00 14.14 H new ATOM 0 HE2 TYR A 81 19.281 0.275 33.486 1.00 63.51 H new ATOM 0 HH TYR A 81 18.868 -1.627 32.442 1.00 45.52 H new ATOM 1063 N MET A 82 15.432 4.969 34.267 1.00 51.24 N ATOM 1064 CA MET A 82 14.824 4.789 35.579 1.00 20.41 C ATOM 1065 C MET A 82 13.330 5.101 35.533 1.00 51.23 C ATOM 1066 O MET A 82 12.526 4.422 36.169 1.00 23.54 O ATOM 1067 CB MET A 82 15.511 5.684 36.611 1.00 65.32 C ATOM 1068 CG MET A 82 14.861 7.051 36.760 1.00 60.35 C ATOM 1069 SD MET A 82 15.649 8.060 38.030 1.00 42.21 S ATOM 1070 CE MET A 82 14.437 9.364 38.227 1.00 73.43 C ATOM 0 H MET A 82 16.179 5.663 34.240 1.00 51.24 H new ATOM 0 HA MET A 82 14.952 3.747 35.871 1.00 20.41 H new ATOM 0 HB2 MET A 82 15.505 5.181 37.578 1.00 65.32 H new ATOM 0 HB3 MET A 82 16.555 5.816 36.327 1.00 65.32 H new ATOM 0 HG2 MET A 82 14.905 7.576 35.806 1.00 60.35 H new ATOM 0 HG3 MET A 82 13.807 6.923 37.005 1.00 60.35 H new ATOM 0 HE1 MET A 82 14.782 10.070 38.982 1.00 73.43 H new ATOM 0 HE2 MET A 82 14.304 9.884 37.278 1.00 73.43 H new ATOM 0 HE3 MET A 82 13.486 8.933 38.541 1.00 73.43 H new ATOM 1078 N GLY A 83 12.969 6.132 34.776 1.00 50.40 N ATOM 1079 CA GLY A 83 11.574 6.515 34.662 1.00 21.14 C ATOM 1080 C GLY A 83 10.740 5.464 33.956 1.00 60.02 C ATOM 1081 O GLY A 83 9.520 5.423 34.111 1.00 25.03 O ATOM 0 H GLY A 83 13.617 6.709 34.240 1.00 50.40 H new ATOM 0 HA2 GLY A 83 11.166 6.690 35.657 1.00 21.14 H new ATOM 0 HA3 GLY A 83 11.502 7.457 34.118 1.00 21.14 H new ATOM 1084 N ALA A 84 11.399 4.613 33.177 1.00 62.14 N ATOM 1085 CA ALA A 84 10.711 3.557 32.445 1.00 72.00 C ATOM 1086 C ALA A 84 10.740 2.243 33.220 1.00 3.12 C ATOM 1087 O ALA A 84 9.753 1.509 33.254 1.00 22.34 O ATOM 1088 CB ALA A 84 11.334 3.375 31.070 1.00 2.21 C ATOM 0 H ALA A 84 12.409 4.634 33.037 1.00 62.14 H new ATOM 0 HA ALA A 84 9.669 3.853 32.323 1.00 72.00 H new ATOM 0 HB1 ALA A 84 10.810 2.583 30.535 1.00 2.21 H new ATOM 0 HB2 ALA A 84 11.255 4.306 30.509 1.00 2.21 H new ATOM 0 HB3 ALA A 84 12.384 3.105 31.179 1.00 2.21 H new ATOM 1094 N ALA A 85 11.880 1.952 33.839 1.00 1.22 N ATOM 1095 CA ALA A 85 12.038 0.728 34.613 1.00 32.42 C ATOM 1096 C ALA A 85 11.707 0.961 36.083 1.00 24.23 C ATOM 1097 O ALA A 85 10.632 0.591 36.556 1.00 73.20 O ATOM 1098 CB ALA A 85 13.453 0.189 34.468 1.00 31.42 C ATOM 0 H ALA A 85 12.707 2.548 33.819 1.00 1.22 H new ATOM 0 HA ALA A 85 11.338 -0.011 34.223 1.00 32.42 H new ATOM 0 HB1 ALA A 85 13.556 -0.726 35.052 1.00 31.42 H new ATOM 0 HB2 ALA A 85 13.655 -0.026 33.419 1.00 31.42 H new ATOM 0 HB3 ALA A 85 14.164 0.932 34.829 1.00 31.42 H new ATOM 1104 N LYS A 86 12.638 1.579 36.804 1.00 13.41 N ATOM 1105 CA LYS A 86 12.446 1.863 38.220 1.00 31.33 C ATOM 1106 C LYS A 86 11.045 2.406 38.482 1.00 13.14 C ATOM 1107 O LYS A 86 10.463 2.165 39.539 1.00 61.33 O ATOM 1108 CB LYS A 86 13.492 2.869 38.706 1.00 41.52 C ATOM 1109 CG LYS A 86 13.499 3.059 40.213 1.00 2.41 C ATOM 1110 CD LYS A 86 12.853 4.376 40.611 1.00 62.14 C ATOM 1111 CE LYS A 86 13.307 4.823 41.993 1.00 34.43 C ATOM 1112 NZ LYS A 86 12.631 4.052 43.074 1.00 1.35 N ATOM 0 H LYS A 86 13.533 1.892 36.429 1.00 13.41 H new ATOM 0 HA LYS A 86 12.564 0.930 38.770 1.00 31.33 H new ATOM 0 HB2 LYS A 86 14.480 2.537 38.385 1.00 41.52 H new ATOM 0 HB3 LYS A 86 13.308 3.831 38.228 1.00 41.52 H new ATOM 0 HG2 LYS A 86 12.968 2.234 40.687 1.00 2.41 H new ATOM 0 HG3 LYS A 86 14.525 3.030 40.580 1.00 2.41 H new ATOM 0 HD2 LYS A 86 13.105 5.143 39.878 1.00 62.14 H new ATOM 0 HD3 LYS A 86 11.768 4.269 40.600 1.00 62.14 H new ATOM 0 HE2 LYS A 86 14.387 4.699 42.079 1.00 34.43 H new ATOM 0 HE3 LYS A 86 13.097 5.885 42.119 1.00 34.43 H new ATOM 0 HZ1 LYS A 86 12.967 4.386 44.000 1.00 1.35 H new ATOM 0 HZ2 LYS A 86 11.602 4.190 43.008 1.00 1.35 H new ATOM 0 HZ3 LYS A 86 12.852 3.041 42.969 1.00 1.35 H new ATOM 1122 N SER A 87 10.508 3.138 37.511 1.00 12.40 N ATOM 1123 CA SER A 87 9.175 3.716 37.637 1.00 25.42 C ATOM 1124 C SER A 87 8.101 2.683 37.314 1.00 52.01 C ATOM 1125 O SER A 87 7.382 2.220 38.199 1.00 34.34 O ATOM 1126 CB SER A 87 9.031 4.925 36.711 1.00 1.13 C ATOM 1127 OG SER A 87 8.397 6.004 37.375 1.00 21.53 O ATOM 0 H SER A 87 10.976 3.345 36.628 1.00 12.40 H new ATOM 0 HA SER A 87 9.043 4.040 38.669 1.00 25.42 H new ATOM 0 HB2 SER A 87 10.015 5.237 36.360 1.00 1.13 H new ATOM 0 HB3 SER A 87 8.453 4.646 35.830 1.00 1.13 H new ATOM 0 HG SER A 87 7.726 5.656 37.998 1.00 21.53 H new ATOM 1132 N LYS A 88 7.999 2.323 36.039 1.00 0.53 N ATOM 1133 CA LYS A 88 7.014 1.343 35.596 1.00 43.32 C ATOM 1134 C LYS A 88 7.247 -0.004 36.272 1.00 12.20 C ATOM 1135 O LYS A 88 6.379 -0.511 36.984 1.00 33.34 O ATOM 1136 CB LYS A 88 7.076 1.181 34.075 1.00 74.52 C ATOM 1137 CG LYS A 88 5.711 1.048 33.423 1.00 72.01 C ATOM 1138 CD LYS A 88 5.434 -0.384 32.994 1.00 64.12 C ATOM 1139 CE LYS A 88 6.040 -0.684 31.631 1.00 30.11 C ATOM 1140 NZ LYS A 88 5.274 -0.037 30.530 1.00 2.44 N ATOM 0 H LYS A 88 8.587 2.696 35.294 1.00 0.53 H new ATOM 0 HA LYS A 88 6.025 1.704 35.877 1.00 43.32 H new ATOM 0 HB2 LYS A 88 7.592 2.040 33.647 1.00 74.52 H new ATOM 0 HB3 LYS A 88 7.671 0.300 33.836 1.00 74.52 H new ATOM 0 HG2 LYS A 88 4.940 1.375 34.121 1.00 72.01 H new ATOM 0 HG3 LYS A 88 5.656 1.706 32.556 1.00 72.01 H new ATOM 0 HD2 LYS A 88 5.842 -1.072 33.734 1.00 64.12 H new ATOM 0 HD3 LYS A 88 4.358 -0.553 32.960 1.00 64.12 H new ATOM 0 HE2 LYS A 88 7.073 -0.336 31.608 1.00 30.11 H new ATOM 0 HE3 LYS A 88 6.063 -1.762 31.473 1.00 30.11 H new ATOM 0 HZ1 LYS A 88 5.575 -0.435 29.617 1.00 2.44 H new ATOM 0 HZ2 LYS A 88 4.258 -0.211 30.665 1.00 2.44 H new ATOM 0 HZ3 LYS A 88 5.454 0.987 30.537 1.00 2.44 H new ATOM 1150 N LEU A 89 8.422 -0.580 36.045 1.00 23.23 N ATOM 1151 CA LEU A 89 8.769 -1.869 36.634 1.00 15.02 C ATOM 1152 C LEU A 89 8.360 -1.924 38.102 1.00 61.12 C ATOM 1153 O LEU A 89 7.664 -2.844 38.529 1.00 14.24 O ATOM 1154 CB LEU A 89 10.271 -2.125 36.500 1.00 21.10 C ATOM 1155 CG LEU A 89 10.741 -3.544 36.824 1.00 4.30 C ATOM 1156 CD1 LEU A 89 11.941 -3.917 35.968 1.00 43.30 C ATOM 1157 CD2 LEU A 89 11.079 -3.670 38.302 1.00 63.22 C ATOM 0 H LEU A 89 9.151 -0.175 35.457 1.00 23.23 H new ATOM 0 HA LEU A 89 8.226 -2.646 36.096 1.00 15.02 H new ATOM 0 HB2 LEU A 89 10.570 -1.889 35.479 1.00 21.10 H new ATOM 0 HB3 LEU A 89 10.798 -1.431 37.155 1.00 21.10 H new ATOM 0 HG LEU A 89 9.929 -4.235 36.597 1.00 4.30 H new ATOM 0 HD11 LEU A 89 12.262 -4.930 36.212 1.00 43.30 H new ATOM 0 HD12 LEU A 89 11.666 -3.868 34.914 1.00 43.30 H new ATOM 0 HD13 LEU A 89 12.757 -3.221 36.163 1.00 43.30 H new ATOM 0 HD21 LEU A 89 11.411 -4.686 38.514 1.00 63.22 H new ATOM 0 HD22 LEU A 89 11.874 -2.968 38.555 1.00 63.22 H new ATOM 0 HD23 LEU A 89 10.194 -3.446 38.898 1.00 63.22 H new ATOM 1168 N ASN A 90 8.797 -0.932 38.871 1.00 41.43 N ATOM 1169 CA ASN A 90 8.475 -0.866 40.292 1.00 71.14 C ATOM 1170 C ASN A 90 6.999 -0.542 40.501 1.00 44.13 C ATOM 1171 O ASN A 90 6.241 -1.360 41.022 1.00 24.44 O ATOM 1172 CB ASN A 90 9.344 0.185 40.986 1.00 11.45 C ATOM 1173 CG ASN A 90 9.610 -0.152 42.439 1.00 74.41 C ATOM 1174 OD1 ASN A 90 10.210 -1.181 42.749 1.00 75.43 O ATOM 1175 ND2 ASN A 90 9.163 0.716 43.339 1.00 45.04 N ATOM 0 H ASN A 90 9.375 -0.162 38.534 1.00 41.43 H new ATOM 0 HA ASN A 90 8.680 -1.843 40.731 1.00 71.14 H new ATOM 0 HB2 ASN A 90 10.293 0.274 40.457 1.00 11.45 H new ATOM 0 HB3 ASN A 90 8.853 1.156 40.925 1.00 11.45 H new ATOM 0 HD21 ASN A 90 9.312 0.542 44.333 1.00 45.04 H new ATOM 0 HD22 ASN A 90 8.670 1.556 43.036 1.00 45.04 H new ATOM 1181 N ASP A 91 6.599 0.657 40.090 1.00 51.44 N ATOM 1182 CA ASP A 91 5.213 1.090 40.231 1.00 40.44 C ATOM 1183 C ASP A 91 4.257 0.046 39.663 1.00 42.45 C ATOM 1184 O ASP A 91 3.081 0.008 40.019 1.00 23.24 O ATOM 1185 CB ASP A 91 5.002 2.430 39.525 1.00 63.44 C ATOM 1186 CG ASP A 91 5.891 3.524 40.082 1.00 45.55 C ATOM 1187 OD1 ASP A 91 6.302 3.414 41.257 1.00 30.13 O ATOM 1188 OD2 ASP A 91 6.178 4.490 39.344 1.00 42.23 O ATOM 0 H ASP A 91 7.214 1.346 39.657 1.00 51.44 H new ATOM 0 HA ASP A 91 5.001 1.210 41.294 1.00 40.44 H new ATOM 0 HB2 ASP A 91 5.201 2.311 38.460 1.00 63.44 H new ATOM 0 HB3 ASP A 91 3.958 2.729 39.623 1.00 63.44 H new ATOM 1192 N ALA A 92 4.772 -0.800 38.775 1.00 72.43 N ATOM 1193 CA ALA A 92 3.964 -1.845 38.159 1.00 65.00 C ATOM 1194 C ALA A 92 4.089 -3.158 38.924 1.00 51.30 C ATOM 1195 O ALA A 92 3.114 -3.894 39.077 1.00 42.23 O ATOM 1196 CB ALA A 92 4.372 -2.038 36.706 1.00 14.44 C ATOM 0 H ALA A 92 5.744 -0.781 38.467 1.00 72.43 H new ATOM 0 HA ALA A 92 2.920 -1.532 38.194 1.00 65.00 H new ATOM 0 HB1 ALA A 92 3.761 -2.821 36.257 1.00 14.44 H new ATOM 0 HB2 ALA A 92 4.225 -1.106 36.160 1.00 14.44 H new ATOM 0 HB3 ALA A 92 5.422 -2.325 36.658 1.00 14.44 H new ATOM 1202 N VAL A 93 5.296 -3.447 39.402 1.00 52.31 N ATOM 1203 CA VAL A 93 5.548 -4.672 40.151 1.00 75.31 C ATOM 1204 C VAL A 93 5.529 -4.412 41.653 1.00 20.32 C ATOM 1205 O VAL A 93 4.920 -5.162 42.415 1.00 22.11 O ATOM 1206 CB VAL A 93 6.902 -5.297 39.767 1.00 11.34 C ATOM 1207 CG1 VAL A 93 8.013 -4.750 40.650 1.00 63.00 C ATOM 1208 CG2 VAL A 93 6.835 -6.814 39.860 1.00 13.14 C ATOM 0 H VAL A 93 6.114 -2.849 39.284 1.00 52.31 H new ATOM 0 HA VAL A 93 4.749 -5.368 39.895 1.00 75.31 H new ATOM 0 HB VAL A 93 7.125 -5.029 38.734 1.00 11.34 H new ATOM 0 HG11 VAL A 93 8.962 -5.203 40.364 1.00 63.00 H new ATOM 0 HG12 VAL A 93 8.076 -3.669 40.528 1.00 63.00 H new ATOM 0 HG13 VAL A 93 7.798 -4.985 41.692 1.00 63.00 H new ATOM 0 HG21 VAL A 93 7.801 -7.238 39.585 1.00 13.14 H new ATOM 0 HG22 VAL A 93 6.588 -7.105 40.881 1.00 13.14 H new ATOM 0 HG23 VAL A 93 6.068 -7.187 39.181 1.00 13.14 H new ATOM 1218 N GLU A 94 6.199 -3.343 42.072 1.00 13.42 N ATOM 1219 CA GLU A 94 6.260 -2.983 43.483 1.00 54.11 C ATOM 1220 C GLU A 94 4.878 -2.600 44.006 1.00 64.21 C ATOM 1221 O GLU A 94 4.487 -2.993 45.106 1.00 45.22 O ATOM 1222 CB GLU A 94 7.237 -1.825 43.696 1.00 75.32 C ATOM 1223 CG GLU A 94 7.642 -1.631 45.148 1.00 45.43 C ATOM 1224 CD GLU A 94 6.518 -1.072 45.998 1.00 63.31 C ATOM 1225 OE1 GLU A 94 6.074 0.062 45.722 1.00 2.52 O ATOM 1226 OE2 GLU A 94 6.083 -1.767 46.939 1.00 40.23 O ATOM 0 H GLU A 94 6.707 -2.711 41.453 1.00 13.42 H new ATOM 0 HA GLU A 94 6.613 -3.852 44.038 1.00 54.11 H new ATOM 0 HB2 GLU A 94 8.131 -2.000 43.098 1.00 75.32 H new ATOM 0 HB3 GLU A 94 6.783 -0.905 43.328 1.00 75.32 H new ATOM 0 HG2 GLU A 94 7.965 -2.586 45.562 1.00 45.43 H new ATOM 0 HG3 GLU A 94 8.498 -0.958 45.196 1.00 45.43 H new ATOM 1231 N TYR A 95 4.143 -1.832 43.210 1.00 23.34 N ATOM 1232 CA TYR A 95 2.807 -1.392 43.593 1.00 72.11 C ATOM 1233 C TYR A 95 1.790 -2.514 43.405 1.00 61.33 C ATOM 1234 O TYR A 95 0.968 -2.776 44.283 1.00 21.03 O ATOM 1235 CB TYR A 95 2.393 -0.170 42.771 1.00 51.31 C ATOM 1236 CG TYR A 95 1.049 0.399 43.166 1.00 2.43 C ATOM 1237 CD1 TYR A 95 -0.130 -0.146 42.674 1.00 11.34 C ATOM 1238 CD2 TYR A 95 0.959 1.482 44.033 1.00 51.41 C ATOM 1239 CE1 TYR A 95 -1.360 0.372 43.031 1.00 4.11 C ATOM 1240 CE2 TYR A 95 -0.266 2.005 44.397 1.00 5.13 C ATOM 1241 CZ TYR A 95 -1.422 1.447 43.894 1.00 12.14 C ATOM 1242 OH TYR A 95 -2.645 1.965 44.253 1.00 22.51 O ATOM 0 H TYR A 95 4.450 -1.501 42.295 1.00 23.34 H new ATOM 0 HA TYR A 95 2.831 -1.120 44.648 1.00 72.11 H new ATOM 0 HB2 TYR A 95 3.152 0.605 42.880 1.00 51.31 H new ATOM 0 HB3 TYR A 95 2.366 -0.444 41.716 1.00 51.31 H new ATOM 0 HD1 TYR A 95 -0.084 -0.989 42.001 1.00 11.34 H new ATOM 0 HD2 TYR A 95 1.863 1.922 44.429 1.00 51.41 H new ATOM 0 HE1 TYR A 95 -2.267 -0.062 42.637 1.00 4.11 H new ATOM 0 HE2 TYR A 95 -0.318 2.846 45.072 1.00 5.13 H new ATOM 0 HH TYR A 95 -2.514 2.718 44.867 1.00 22.51 H new ATOM 1251 N VAL A 96 1.852 -3.173 42.253 1.00 21.11 N ATOM 1252 CA VAL A 96 0.940 -4.268 41.948 1.00 33.50 C ATOM 1253 C VAL A 96 1.419 -5.574 42.572 1.00 61.20 C ATOM 1254 O VAL A 96 0.799 -6.095 43.499 1.00 75.02 O ATOM 1255 CB VAL A 96 0.785 -4.465 40.428 1.00 44.33 C ATOM 1256 CG1 VAL A 96 -0.299 -5.488 40.129 1.00 1.13 C ATOM 1257 CG2 VAL A 96 0.483 -3.138 39.748 1.00 75.30 C ATOM 0 H VAL A 96 2.525 -2.967 41.515 1.00 21.11 H new ATOM 0 HA VAL A 96 -0.027 -3.999 42.372 1.00 33.50 H new ATOM 0 HB VAL A 96 1.726 -4.845 40.030 1.00 44.33 H new ATOM 0 HG11 VAL A 96 -0.393 -5.613 39.050 1.00 1.13 H new ATOM 0 HG12 VAL A 96 -0.034 -6.443 40.583 1.00 1.13 H new ATOM 0 HG13 VAL A 96 -1.248 -5.143 40.539 1.00 1.13 H new ATOM 0 HG21 VAL A 96 0.377 -3.295 38.675 1.00 75.30 H new ATOM 0 HG22 VAL A 96 -0.444 -2.727 40.148 1.00 75.30 H new ATOM 0 HG23 VAL A 96 1.300 -2.440 39.933 1.00 75.30 H new ATOM 1267 N SER A 97 2.528 -6.096 42.059 1.00 50.12 N ATOM 1268 CA SER A 97 3.090 -7.343 42.564 1.00 51.12 C ATOM 1269 C SER A 97 3.354 -7.252 44.065 1.00 14.14 C ATOM 1270 O SER A 97 3.460 -8.268 44.750 1.00 74.11 O ATOM 1271 CB SER A 97 4.388 -7.678 41.827 1.00 43.31 C ATOM 1272 OG SER A 97 5.497 -7.655 42.709 1.00 33.30 O ATOM 0 H SER A 97 3.055 -5.675 41.294 1.00 50.12 H new ATOM 0 HA SER A 97 2.364 -8.137 42.387 1.00 51.12 H new ATOM 0 HB2 SER A 97 4.305 -8.663 41.368 1.00 43.31 H new ATOM 0 HB3 SER A 97 4.546 -6.963 41.020 1.00 43.31 H new ATOM 0 HG SER A 97 5.712 -6.727 42.940 1.00 33.30 H new ATOM 1277 N GLY A 98 3.459 -6.026 44.567 1.00 62.34 N ATOM 1278 CA GLY A 98 3.708 -5.824 45.983 1.00 4.52 C ATOM 1279 C GLY A 98 2.435 -5.829 46.803 1.00 34.30 C ATOM 1280 O GLY A 98 2.424 -6.299 47.942 1.00 12.40 O ATOM 0 H GLY A 98 3.376 -5.169 44.020 1.00 62.34 H new ATOM 0 HA2 GLY A 98 4.374 -6.607 46.347 1.00 4.52 H new ATOM 0 HA3 GLY A 98 4.224 -4.875 46.126 1.00 4.52 H new ATOM 1283 N ARG A 99 1.359 -5.305 46.226 1.00 70.33 N ATOM 1284 CA ARG A 99 0.074 -5.249 46.913 1.00 42.21 C ATOM 1285 C ARG A 99 -0.584 -6.626 46.950 1.00 2.21 C ATOM 1286 O ARG A 99 -1.379 -6.921 47.841 1.00 52.15 O ATOM 1287 CB ARG A 99 -0.854 -4.247 46.224 1.00 34.14 C ATOM 1288 CG ARG A 99 -1.339 -4.706 44.858 1.00 44.41 C ATOM 1289 CD ARG A 99 -2.665 -4.059 44.492 1.00 33.25 C ATOM 1290 NE ARG A 99 -3.402 -4.842 43.504 1.00 55.11 N ATOM 1291 CZ ARG A 99 -4.444 -4.377 42.825 1.00 4.45 C ATOM 1292 NH1 ARG A 99 -4.869 -3.137 43.025 1.00 21.13 N ATOM 1293 NH2 ARG A 99 -5.062 -5.151 41.943 1.00 52.00 N ATOM 0 H ARG A 99 1.351 -4.913 45.284 1.00 70.33 H new ATOM 0 HA ARG A 99 0.253 -4.923 47.938 1.00 42.21 H new ATOM 0 HB2 ARG A 99 -1.717 -4.064 46.864 1.00 34.14 H new ATOM 0 HB3 ARG A 99 -0.332 -3.297 46.114 1.00 34.14 H new ATOM 0 HG2 ARG A 99 -0.592 -4.459 44.104 1.00 44.41 H new ATOM 0 HG3 ARG A 99 -1.449 -5.790 44.855 1.00 44.41 H new ATOM 0 HD2 ARG A 99 -3.272 -3.944 45.390 1.00 33.25 H new ATOM 0 HD3 ARG A 99 -2.484 -3.058 44.100 1.00 33.25 H new ATOM 0 HE ARG A 99 -3.099 -5.800 43.326 1.00 55.11 H new ATOM 0 HH11 ARG A 99 -4.395 -2.538 43.701 1.00 21.13 H new ATOM 0 HH12 ARG A 99 -5.670 -2.782 42.502 1.00 21.13 H new ATOM 0 HH21 ARG A 99 -4.737 -6.105 41.786 1.00 52.00 H new ATOM 0 HH22 ARG A 99 -5.862 -4.792 41.422 1.00 52.00 H new ATOM 1304 N VAL A 100 -0.245 -7.464 45.975 1.00 1.44 N ATOM 1305 CA VAL A 100 -0.802 -8.809 45.895 1.00 41.20 C ATOM 1306 C VAL A 100 0.012 -9.790 46.732 1.00 12.24 C ATOM 1307 O VAL A 100 -0.532 -10.739 47.299 1.00 4.53 O ATOM 1308 CB VAL A 100 -0.852 -9.310 44.440 1.00 3.51 C ATOM 1309 CG1 VAL A 100 0.544 -9.657 43.945 1.00 24.53 C ATOM 1310 CG2 VAL A 100 -1.780 -10.509 44.322 1.00 14.44 C ATOM 0 H VAL A 100 0.413 -7.235 45.230 1.00 1.44 H new ATOM 0 HA VAL A 100 -1.818 -8.756 46.287 1.00 41.20 H new ATOM 0 HB VAL A 100 -1.245 -8.510 43.813 1.00 3.51 H new ATOM 0 HG11 VAL A 100 0.488 -10.009 42.915 1.00 24.53 H new ATOM 0 HG12 VAL A 100 1.177 -8.771 43.992 1.00 24.53 H new ATOM 0 HG13 VAL A 100 0.969 -10.440 44.573 1.00 24.53 H new ATOM 0 HG21 VAL A 100 -1.804 -10.850 43.287 1.00 14.44 H new ATOM 0 HG22 VAL A 100 -1.418 -11.314 44.961 1.00 14.44 H new ATOM 0 HG23 VAL A 100 -2.785 -10.223 44.633 1.00 14.44 H new ATOM 1320 N HIS A 101 1.318 -9.555 46.806 1.00 14.41 N ATOM 1321 CA HIS A 101 2.208 -10.419 47.574 1.00 24.45 C ATOM 1322 C HIS A 101 2.234 -10.001 49.041 1.00 44.44 C ATOM 1323 O HIS A 101 2.418 -10.833 49.930 1.00 3.34 O ATOM 1324 CB HIS A 101 3.621 -10.376 46.993 1.00 1.30 C ATOM 1325 CG HIS A 101 4.476 -11.532 47.413 1.00 51.24 C ATOM 1326 ND1 HIS A 101 5.815 -11.407 47.715 1.00 65.35 N ATOM 1327 CD2 HIS A 101 4.175 -12.841 47.581 1.00 32.24 C ATOM 1328 CE1 HIS A 101 6.302 -12.589 48.050 1.00 23.13 C ATOM 1329 NE2 HIS A 101 5.326 -13.476 47.977 1.00 31.14 N ATOM 0 H HIS A 101 1.784 -8.774 46.344 1.00 14.41 H new ATOM 0 HA HIS A 101 1.830 -11.439 47.511 1.00 24.45 H new ATOM 0 HB2 HIS A 101 3.557 -10.358 45.905 1.00 1.30 H new ATOM 0 HB3 HIS A 101 4.103 -9.448 47.300 1.00 1.30 H new ATOM 0 HD2 HIS A 101 3.209 -13.300 47.431 1.00 32.24 H new ATOM 0 HE1 HIS A 101 7.323 -12.795 48.335 1.00 23.13 H new ATOM 0 HE2 HIS A 101 5.413 -14.471 48.182 1.00 31.14 H new ATOM 1336 N GLY A 102 2.053 -8.708 49.287 1.00 31.30 N ATOM 1337 CA GLY A 102 2.060 -8.203 50.648 1.00 51.33 C ATOM 1338 C GLY A 102 3.446 -7.793 51.106 1.00 24.42 C ATOM 1339 O GLY A 102 4.361 -8.614 51.148 1.00 13.53 O ATOM 0 H GLY A 102 1.902 -8.000 48.568 1.00 31.30 H new ATOM 0 HA2 GLY A 102 1.389 -7.347 50.718 1.00 51.33 H new ATOM 0 HA3 GLY A 102 1.671 -8.969 51.319 1.00 51.33 H new ATOM 1342 N GLU A 103 3.601 -6.518 51.449 1.00 12.34 N ATOM 1343 CA GLU A 103 4.887 -6.001 51.903 1.00 33.34 C ATOM 1344 C GLU A 103 4.925 -5.897 53.426 1.00 34.14 C ATOM 1345 O GLU A 103 4.053 -5.279 54.036 1.00 62.41 O ATOM 1346 CB GLU A 103 5.159 -4.630 51.281 1.00 32.45 C ATOM 1347 CG GLU A 103 4.006 -3.651 51.437 1.00 44.34 C ATOM 1348 CD GLU A 103 3.140 -3.565 50.195 1.00 40.45 C ATOM 1349 OE1 GLU A 103 3.666 -3.178 49.130 1.00 61.42 O ATOM 1350 OE2 GLU A 103 1.938 -3.887 50.289 1.00 54.24 O ATOM 0 H GLU A 103 2.853 -5.825 51.421 1.00 12.34 H new ATOM 0 HA GLU A 103 5.662 -6.697 51.584 1.00 33.34 H new ATOM 0 HB2 GLU A 103 6.051 -4.203 51.739 1.00 32.45 H new ATOM 0 HB3 GLU A 103 5.375 -4.758 50.220 1.00 32.45 H new ATOM 0 HG2 GLU A 103 3.390 -3.953 52.284 1.00 44.34 H new ATOM 0 HG3 GLU A 103 4.403 -2.662 51.668 1.00 44.34 H new ATOM 1355 N GLU A 104 5.939 -6.506 54.030 1.00 52.12 N ATOM 1356 CA GLU A 104 6.089 -6.483 55.480 1.00 43.12 C ATOM 1357 C GLU A 104 6.492 -5.093 55.963 1.00 34.43 C ATOM 1358 O GLU A 104 6.314 -4.755 57.134 1.00 55.00 O ATOM 1359 CB GLU A 104 7.132 -7.511 55.923 1.00 51.11 C ATOM 1360 CG GLU A 104 6.554 -8.891 56.185 1.00 62.43 C ATOM 1361 CD GLU A 104 7.591 -9.871 56.699 1.00 24.44 C ATOM 1362 OE1 GLU A 104 8.751 -9.799 56.243 1.00 72.00 O ATOM 1363 OE2 GLU A 104 7.243 -10.708 57.559 1.00 1.34 O ATOM 0 H GLU A 104 6.669 -7.021 53.538 1.00 52.12 H new ATOM 0 HA GLU A 104 5.127 -6.738 55.924 1.00 43.12 H new ATOM 0 HB2 GLU A 104 7.902 -7.589 55.155 1.00 51.11 H new ATOM 0 HB3 GLU A 104 7.620 -7.153 56.829 1.00 51.11 H new ATOM 0 HG2 GLU A 104 5.745 -8.810 56.911 1.00 62.43 H new ATOM 0 HG3 GLU A 104 6.118 -9.279 55.264 1.00 62.43 H new ATOM 1368 N ASP A 105 7.035 -4.291 55.054 1.00 60.43 N ATOM 1369 CA ASP A 105 7.462 -2.937 55.386 1.00 53.34 C ATOM 1370 C ASP A 105 6.355 -1.930 55.091 1.00 22.04 C ATOM 1371 O ASP A 105 5.427 -2.197 54.327 1.00 24.25 O ATOM 1372 CB ASP A 105 8.724 -2.571 54.603 1.00 22.00 C ATOM 1373 CG ASP A 105 9.993 -2.970 55.331 1.00 61.23 C ATOM 1374 OD1 ASP A 105 10.336 -4.171 55.309 1.00 3.24 O ATOM 1375 OD2 ASP A 105 10.641 -2.082 55.923 1.00 62.20 O ATOM 0 H ASP A 105 7.190 -4.555 54.081 1.00 60.43 H new ATOM 0 HA ASP A 105 7.683 -2.904 56.453 1.00 53.34 H new ATOM 0 HB2 ASP A 105 8.698 -3.060 53.629 1.00 22.00 H new ATOM 0 HB3 ASP A 105 8.736 -1.496 54.420 1.00 22.00 H new ATOM 1379 N PRO A 106 6.453 -0.743 55.710 1.00 55.43 N ATOM 1380 CA PRO A 106 5.469 0.327 55.529 1.00 75.52 C ATOM 1381 C PRO A 106 5.528 0.939 54.134 1.00 24.53 C ATOM 1382 O PRO A 106 6.400 1.758 53.840 1.00 23.22 O ATOM 1383 CB PRO A 106 5.870 1.360 56.584 1.00 64.53 C ATOM 1384 CG PRO A 106 7.323 1.121 56.815 1.00 35.10 C ATOM 1385 CD PRO A 106 7.532 -0.357 56.633 1.00 61.33 C ATOM 0 HA PRO A 106 4.447 -0.037 55.636 1.00 75.52 H new ATOM 0 HB2 PRO A 106 5.687 2.376 56.233 1.00 64.53 H new ATOM 0 HB3 PRO A 106 5.297 1.231 57.502 1.00 64.53 H new ATOM 0 HG2 PRO A 106 7.929 1.691 56.111 1.00 35.10 H new ATOM 0 HG3 PRO A 106 7.616 1.437 57.816 1.00 35.10 H new ATOM 0 HD2 PRO A 106 8.515 -0.575 56.216 1.00 61.33 H new ATOM 0 HD3 PRO A 106 7.462 -0.892 57.580 1.00 61.33 H new ATOM 1390 N THR A 107 4.595 0.539 53.276 1.00 62.40 N ATOM 1391 CA THR A 107 4.542 1.049 51.912 1.00 34.30 C ATOM 1392 C THR A 107 4.560 2.573 51.893 1.00 44.33 C ATOM 1393 O THR A 107 5.051 3.186 50.945 1.00 4.40 O ATOM 1394 CB THR A 107 3.282 0.553 51.176 1.00 31.12 C ATOM 1395 OG1 THR A 107 2.388 -0.073 52.102 1.00 11.22 O ATOM 1396 CG2 THR A 107 3.650 -0.430 50.075 1.00 3.32 C ATOM 0 H THR A 107 3.865 -0.137 53.502 1.00 62.40 H new ATOM 0 HA THR A 107 5.427 0.672 51.399 1.00 34.30 H new ATOM 0 HB THR A 107 2.790 1.414 50.723 1.00 31.12 H new ATOM 0 HG1 THR A 107 1.589 -0.384 51.627 1.00 11.22 H new ATOM 0 HG21 THR A 107 2.745 -0.766 49.570 1.00 3.32 H new ATOM 0 HG22 THR A 107 4.307 0.059 49.355 1.00 3.32 H new ATOM 0 HG23 THR A 107 4.163 -1.288 50.510 1.00 3.32 H new ATOM 1404 N LYS A 108 4.024 3.180 52.946 1.00 51.34 N ATOM 1405 CA LYS A 108 3.982 4.634 53.052 1.00 34.42 C ATOM 1406 C LYS A 108 5.382 5.228 52.954 1.00 64.14 C ATOM 1407 O LYS A 108 6.336 4.695 53.523 1.00 55.32 O ATOM 1408 CB LYS A 108 3.329 5.050 54.372 1.00 42.01 C ATOM 1409 CG LYS A 108 1.822 4.864 54.392 1.00 40.41 C ATOM 1410 CD LYS A 108 1.117 5.942 53.586 1.00 0.21 C ATOM 1411 CE LYS A 108 1.097 7.270 54.326 1.00 41.05 C ATOM 1412 NZ LYS A 108 0.160 7.246 55.483 1.00 60.25 N ATOM 0 H LYS A 108 3.612 2.688 53.739 1.00 51.34 H new ATOM 0 HA LYS A 108 3.387 5.017 52.223 1.00 34.42 H new ATOM 0 HB2 LYS A 108 3.769 4.470 55.183 1.00 42.01 H new ATOM 0 HB3 LYS A 108 3.560 6.097 54.567 1.00 42.01 H new ATOM 0 HG2 LYS A 108 1.570 3.883 53.989 1.00 40.41 H new ATOM 0 HG3 LYS A 108 1.465 4.886 55.422 1.00 40.41 H new ATOM 0 HD2 LYS A 108 1.619 6.067 52.627 1.00 0.21 H new ATOM 0 HD3 LYS A 108 0.095 5.628 53.373 1.00 0.21 H new ATOM 0 HE2 LYS A 108 2.102 7.505 54.677 1.00 41.05 H new ATOM 0 HE3 LYS A 108 0.805 8.064 53.639 1.00 41.05 H new ATOM 0 HZ1 LYS A 108 0.006 8.216 55.825 1.00 60.25 H new ATOM 0 HZ2 LYS A 108 -0.748 6.835 55.186 1.00 60.25 H new ATOM 0 HZ3 LYS A 108 0.567 6.670 56.247 1.00 60.25 H new ATOM 1422 N LYS A 109 5.501 6.336 52.232 1.00 11.44 N ATOM 1423 CA LYS A 109 6.785 7.006 52.062 1.00 3.41 C ATOM 1424 C LYS A 109 6.793 8.356 52.772 1.00 41.44 C ATOM 1425 O LYS A 109 7.595 8.587 53.678 1.00 61.25 O ATOM 1426 CB LYS A 109 7.091 7.199 50.575 1.00 34.23 C ATOM 1427 CG LYS A 109 8.455 7.811 50.308 1.00 52.32 C ATOM 1428 CD LYS A 109 8.386 9.328 50.264 1.00 52.24 C ATOM 1429 CE LYS A 109 9.442 9.907 49.334 1.00 72.50 C ATOM 1430 NZ LYS A 109 9.203 9.521 47.915 1.00 64.23 N ATOM 0 H LYS A 109 4.723 6.790 51.754 1.00 11.44 H new ATOM 0 HA LYS A 109 7.556 6.376 52.507 1.00 3.41 H new ATOM 0 HB2 LYS A 109 7.031 6.234 50.072 1.00 34.23 H new ATOM 0 HB3 LYS A 109 6.324 7.836 50.135 1.00 34.23 H new ATOM 0 HG2 LYS A 109 9.153 7.500 51.085 1.00 52.32 H new ATOM 0 HG3 LYS A 109 8.844 7.436 49.361 1.00 52.32 H new ATOM 0 HD2 LYS A 109 7.396 9.639 49.930 1.00 52.24 H new ATOM 0 HD3 LYS A 109 8.525 9.729 51.268 1.00 52.24 H new ATOM 0 HE2 LYS A 109 9.445 10.994 49.419 1.00 72.50 H new ATOM 0 HE3 LYS A 109 10.428 9.561 49.644 1.00 72.50 H new ATOM 0 HZ1 LYS A 109 9.607 10.244 47.286 1.00 64.23 H new ATOM 0 HZ2 LYS A 109 9.655 8.604 47.724 1.00 64.23 H new ATOM 0 HZ3 LYS A 109 8.180 9.445 47.743 1.00 64.23 H new TER 1440 LYS A 109