USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=23 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 57 HIS : no HD1:sc= -1.13 X(o=-1.6,f=-2) USER MOD Set 1.2: A 64 LYS NZ :NH3+ 178:sc= -0.45 (180deg=-0.249) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 23 LYS NZ :NH3+ 178:sc= -0.549 (180deg=-0.552) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0 (180deg=-0.142) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00716) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0.0702 (180deg=0.0664) USER MOD Single : A 14 SER OG : rot 180:sc= -0.412 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=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= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.032 (180deg=-0.249) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.0073) 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 66 ASN :FLIP amide:sc= -0.378 F(o=-1.9,f=-0.38) USER MOD Single : A 70 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0.551 USER MOD Single : A 77 GLN : amide:sc= -0.116 X(o=-0.12,f=0.38) 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 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00417) USER MOD Single : A 90 ASN : amide:sc= -2.12 K(o=-2.1,f=-2.6) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.465 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -157:sc= -0.16 (180deg=-0.642) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -38.828 39.134 24.857 1.00 53.31 N ATOM 2 CA MET A 1 -38.408 40.456 25.305 1.00 44.33 C ATOM 3 C MET A 1 -36.923 40.466 25.653 1.00 14.44 C ATOM 4 O MET A 1 -36.507 41.104 26.621 1.00 64.24 O ATOM 5 CB MET A 1 -39.232 40.893 26.519 1.00 53.13 C ATOM 6 CG MET A 1 -39.316 42.401 26.685 1.00 21.35 C ATOM 7 SD MET A 1 -39.957 42.887 28.299 1.00 72.22 S ATOM 8 CE MET A 1 -39.431 44.598 28.371 1.00 51.23 C ATOM 0 H1 MET A 1 -39.866 39.099 24.805 1.00 53.31 H new ATOM 0 H2 MET A 1 -38.427 38.943 23.917 1.00 53.31 H new ATOM 0 H3 MET A 1 -38.491 38.416 25.530 1.00 53.31 H new ATOM 0 HA MET A 1 -38.576 41.159 24.489 1.00 44.33 H new ATOM 0 HB2 MET A 1 -40.240 40.489 26.428 1.00 53.13 H new ATOM 0 HB3 MET A 1 -38.795 40.460 27.419 1.00 53.13 H new ATOM 0 HG2 MET A 1 -38.325 42.834 26.546 1.00 21.35 H new ATOM 0 HG3 MET A 1 -39.956 42.814 25.905 1.00 21.35 H new ATOM 0 HE1 MET A 1 -39.754 45.039 29.314 1.00 51.23 H new ATOM 0 HE2 MET A 1 -38.344 44.648 28.301 1.00 51.23 H new ATOM 0 HE3 MET A 1 -39.874 45.150 27.542 1.00 51.23 H new ATOM 16 N SER A 2 -36.129 39.754 24.860 1.00 20.12 N ATOM 17 CA SER A 2 -34.691 39.678 25.088 1.00 31.23 C ATOM 18 C SER A 2 -34.071 41.071 25.121 1.00 63.53 C ATOM 19 O SER A 2 -34.676 42.044 24.667 1.00 53.44 O ATOM 20 CB SER A 2 -34.024 38.836 23.999 1.00 2.31 C ATOM 21 OG SER A 2 -33.635 39.641 22.899 1.00 54.32 O ATOM 0 H SER A 2 -36.457 39.222 24.054 1.00 20.12 H new ATOM 0 HA SER A 2 -34.527 39.204 26.056 1.00 31.23 H new ATOM 0 HB2 SER A 2 -33.151 38.330 24.410 1.00 2.31 H new ATOM 0 HB3 SER A 2 -34.712 38.061 23.661 1.00 2.31 H new ATOM 0 HG SER A 2 -33.210 39.080 22.217 1.00 54.32 H new ATOM 26 N ASP A 3 -32.860 41.161 25.659 1.00 23.42 N ATOM 27 CA ASP A 3 -32.156 42.436 25.749 1.00 15.31 C ATOM 28 C ASP A 3 -30.683 42.269 25.389 1.00 71.41 C ATOM 29 O ASP A 3 -29.965 41.488 26.013 1.00 42.23 O ATOM 30 CB ASP A 3 -32.286 43.016 27.159 1.00 52.04 C ATOM 31 CG ASP A 3 -33.699 42.914 27.698 1.00 54.12 C ATOM 32 OD1 ASP A 3 -34.638 43.317 26.980 1.00 51.42 O ATOM 33 OD2 ASP A 3 -33.867 42.431 28.838 1.00 23.12 O ATOM 0 H ASP A 3 -32.345 40.367 26.039 1.00 23.42 H new ATOM 0 HA ASP A 3 -32.610 43.125 25.037 1.00 15.31 H new ATOM 0 HB2 ASP A 3 -31.606 42.491 27.829 1.00 52.04 H new ATOM 0 HB3 ASP A 3 -31.979 44.062 27.148 1.00 52.04 H new ATOM 37 N ALA A 4 -30.240 43.008 24.377 1.00 74.35 N ATOM 38 CA ALA A 4 -28.852 42.943 23.933 1.00 1.55 C ATOM 39 C ALA A 4 -27.894 43.220 25.086 1.00 1.44 C ATOM 40 O ALA A 4 -26.748 42.772 25.076 1.00 41.03 O ATOM 41 CB ALA A 4 -28.615 43.929 22.798 1.00 13.33 C ATOM 0 H ALA A 4 -30.822 43.659 23.849 1.00 74.35 H new ATOM 0 HA ALA A 4 -28.659 41.934 23.569 1.00 1.55 H new ATOM 0 HB1 ALA A 4 -27.575 43.870 22.476 1.00 13.33 H new ATOM 0 HB2 ALA A 4 -29.268 43.684 21.961 1.00 13.33 H new ATOM 0 HB3 ALA A 4 -28.831 44.940 23.143 1.00 13.33 H new ATOM 47 N GLY A 5 -28.371 43.963 26.081 1.00 41.41 N ATOM 48 CA GLY A 5 -27.543 44.287 27.229 1.00 63.54 C ATOM 49 C GLY A 5 -26.302 45.069 26.845 1.00 61.11 C ATOM 50 O GLY A 5 -26.396 46.141 26.246 1.00 11.32 O ATOM 0 H GLY A 5 -29.316 44.346 26.112 1.00 41.41 H new ATOM 0 HA2 GLY A 5 -28.128 44.867 27.943 1.00 63.54 H new ATOM 0 HA3 GLY A 5 -27.248 43.366 27.732 1.00 63.54 H new ATOM 53 N ARG A 6 -25.136 44.533 27.190 1.00 22.24 N ATOM 54 CA ARG A 6 -23.872 45.190 26.881 1.00 54.03 C ATOM 55 C ARG A 6 -23.096 44.407 25.826 1.00 15.30 C ATOM 56 O ARG A 6 -21.935 44.703 25.546 1.00 72.11 O ATOM 57 CB ARG A 6 -23.026 45.336 28.147 1.00 74.10 C ATOM 58 CG ARG A 6 -23.697 46.155 29.237 1.00 1.40 C ATOM 59 CD ARG A 6 -23.580 47.647 28.966 1.00 50.42 C ATOM 60 NE ARG A 6 -22.411 48.231 29.618 1.00 72.01 N ATOM 61 CZ ARG A 6 -22.255 49.535 29.815 1.00 35.42 C ATOM 62 NH1 ARG A 6 -23.189 50.386 29.413 1.00 12.34 N ATOM 63 NH2 ARG A 6 -21.163 49.991 30.415 1.00 35.44 N ATOM 0 H ARG A 6 -25.041 43.646 27.684 1.00 22.24 H new ATOM 0 HA ARG A 6 -24.094 46.181 26.484 1.00 54.03 H new ATOM 0 HB2 ARG A 6 -22.798 44.344 28.538 1.00 74.10 H new ATOM 0 HB3 ARG A 6 -22.076 45.802 27.887 1.00 74.10 H new ATOM 0 HG2 ARG A 6 -24.749 45.878 29.306 1.00 1.40 H new ATOM 0 HG3 ARG A 6 -23.243 45.922 30.200 1.00 1.40 H new ATOM 0 HD2 ARG A 6 -23.518 47.817 27.891 1.00 50.42 H new ATOM 0 HD3 ARG A 6 -24.481 48.151 29.317 1.00 50.42 H new ATOM 0 HE ARG A 6 -21.674 47.603 29.940 1.00 72.01 H new ATOM 0 HH11 ARG A 6 -24.030 50.040 28.951 1.00 12.34 H new ATOM 0 HH12 ARG A 6 -23.067 51.387 29.566 1.00 12.34 H new ATOM 0 HH21 ARG A 6 -20.442 49.340 30.726 1.00 35.44 H new ATOM 0 HH22 ARG A 6 -21.044 50.993 30.566 1.00 35.44 H new ATOM 74 N LYS A 7 -23.747 43.404 25.245 1.00 75.52 N ATOM 75 CA LYS A 7 -23.120 42.577 24.219 1.00 20.22 C ATOM 76 C LYS A 7 -22.521 43.442 23.114 1.00 42.23 C ATOM 77 O LYS A 7 -21.518 43.077 22.502 1.00 5.12 O ATOM 78 CB LYS A 7 -24.141 41.605 23.624 1.00 3.53 C ATOM 79 CG LYS A 7 -24.222 40.281 24.363 1.00 13.21 C ATOM 80 CD LYS A 7 -24.952 40.424 25.688 1.00 41.21 C ATOM 81 CE LYS A 7 -24.854 39.155 26.519 1.00 53.35 C ATOM 82 NZ LYS A 7 -23.517 39.012 27.159 1.00 53.54 N ATOM 0 H LYS A 7 -24.708 43.144 25.467 1.00 75.52 H new ATOM 0 HA LYS A 7 -22.316 42.008 24.687 1.00 20.22 H new ATOM 0 HB2 LYS A 7 -25.124 42.075 23.630 1.00 3.53 H new ATOM 0 HB3 LYS A 7 -23.885 41.415 22.582 1.00 3.53 H new ATOM 0 HG2 LYS A 7 -24.735 39.547 23.741 1.00 13.21 H new ATOM 0 HG3 LYS A 7 -23.216 39.900 24.540 1.00 13.21 H new ATOM 0 HD2 LYS A 7 -24.532 41.260 26.248 1.00 41.21 H new ATOM 0 HD3 LYS A 7 -26.000 40.659 25.503 1.00 41.21 H new ATOM 0 HE2 LYS A 7 -25.626 39.165 27.289 1.00 53.35 H new ATOM 0 HE3 LYS A 7 -25.047 38.290 25.885 1.00 53.35 H new ATOM 0 HZ1 LYS A 7 -23.513 38.171 27.770 1.00 53.54 H new ATOM 0 HZ2 LYS A 7 -22.789 38.909 26.423 1.00 53.54 H new ATOM 0 HZ3 LYS A 7 -23.314 39.856 27.731 1.00 53.54 H new ATOM 92 N GLY A 8 -23.143 44.590 22.864 1.00 4.22 N ATOM 93 CA GLY A 8 -22.657 45.488 21.833 1.00 4.53 C ATOM 94 C GLY A 8 -21.247 45.974 22.107 1.00 64.43 C ATOM 95 O GLY A 8 -20.509 46.311 21.181 1.00 40.02 O ATOM 0 H GLY A 8 -23.975 44.914 23.357 1.00 4.22 H new ATOM 0 HA2 GLY A 8 -22.682 44.978 20.870 1.00 4.53 H new ATOM 0 HA3 GLY A 8 -23.326 46.346 21.757 1.00 4.53 H new ATOM 98 N PHE A 9 -20.873 46.012 23.381 1.00 24.13 N ATOM 99 CA PHE A 9 -19.542 46.464 23.773 1.00 42.51 C ATOM 100 C PHE A 9 -18.492 45.405 23.450 1.00 63.43 C ATOM 101 O PHE A 9 -17.292 45.644 23.585 1.00 62.34 O ATOM 102 CB PHE A 9 -19.511 46.789 25.268 1.00 53.34 C ATOM 103 CG PHE A 9 -18.859 48.104 25.582 1.00 13.23 C ATOM 104 CD1 PHE A 9 -19.464 49.296 25.219 1.00 31.32 C ATOM 105 CD2 PHE A 9 -17.642 48.148 26.242 1.00 22.12 C ATOM 106 CE1 PHE A 9 -18.865 50.508 25.506 1.00 64.41 C ATOM 107 CE2 PHE A 9 -17.038 49.358 26.533 1.00 74.25 C ATOM 108 CZ PHE A 9 -17.652 50.540 26.165 1.00 52.20 C ATOM 0 H PHE A 9 -21.471 45.736 24.159 1.00 24.13 H new ATOM 0 HA PHE A 9 -19.310 47.366 23.207 1.00 42.51 H new ATOM 0 HB2 PHE A 9 -20.531 46.798 25.651 1.00 53.34 H new ATOM 0 HB3 PHE A 9 -18.980 45.995 25.793 1.00 53.34 H new ATOM 0 HD1 PHE A 9 -20.414 49.278 24.706 1.00 31.32 H new ATOM 0 HD2 PHE A 9 -17.159 47.227 26.533 1.00 22.12 H new ATOM 0 HE1 PHE A 9 -19.346 51.430 25.215 1.00 64.41 H new ATOM 0 HE2 PHE A 9 -16.088 49.379 27.047 1.00 74.25 H new ATOM 0 HZ PHE A 9 -17.184 51.487 26.392 1.00 52.20 H new ATOM 117 N GLY A 10 -18.952 44.234 23.020 1.00 1.52 N ATOM 118 CA GLY A 10 -18.040 43.156 22.684 1.00 64.13 C ATOM 119 C GLY A 10 -17.646 43.167 21.220 1.00 34.24 C ATOM 120 O GLY A 10 -16.508 42.851 20.877 1.00 74.55 O ATOM 0 H GLY A 10 -19.940 44.013 22.898 1.00 1.52 H new ATOM 0 HA2 GLY A 10 -17.144 43.237 23.299 1.00 64.13 H new ATOM 0 HA3 GLY A 10 -18.507 42.201 22.925 1.00 64.13 H new ATOM 123 N GLU A 11 -18.589 43.530 20.357 1.00 14.31 N ATOM 124 CA GLU A 11 -18.333 43.577 18.922 1.00 34.30 C ATOM 125 C GLU A 11 -17.073 44.383 18.620 1.00 0.23 C ATOM 126 O GLU A 11 -16.435 44.195 17.584 1.00 11.11 O ATOM 127 CB GLU A 11 -19.530 44.185 18.188 1.00 34.30 C ATOM 128 CG GLU A 11 -20.849 43.499 18.501 1.00 20.23 C ATOM 129 CD GLU A 11 -20.854 42.035 18.106 1.00 13.21 C ATOM 130 OE1 GLU A 11 -20.273 41.217 18.851 1.00 72.14 O ATOM 131 OE2 GLU A 11 -21.439 41.707 17.053 1.00 31.54 O ATOM 0 H GLU A 11 -19.536 43.796 20.626 1.00 14.31 H new ATOM 0 HA GLU A 11 -18.182 42.556 18.572 1.00 34.30 H new ATOM 0 HB2 GLU A 11 -19.608 45.240 18.450 1.00 34.30 H new ATOM 0 HB3 GLU A 11 -19.350 44.135 17.114 1.00 34.30 H new ATOM 0 HG2 GLU A 11 -21.054 43.584 19.568 1.00 20.23 H new ATOM 0 HG3 GLU A 11 -21.655 44.015 17.979 1.00 20.23 H new ATOM 136 N LYS A 12 -16.722 45.284 19.532 1.00 73.20 N ATOM 137 CA LYS A 12 -15.539 46.120 19.366 1.00 22.32 C ATOM 138 C LYS A 12 -14.392 45.618 20.236 1.00 54.21 C ATOM 139 O LYS A 12 -13.312 45.306 19.736 1.00 33.43 O ATOM 140 CB LYS A 12 -15.863 47.573 19.719 1.00 44.01 C ATOM 141 CG LYS A 12 -17.177 48.063 19.133 1.00 11.14 C ATOM 142 CD LYS A 12 -18.350 47.730 20.040 1.00 52.43 C ATOM 143 CE LYS A 12 -19.486 48.726 19.871 1.00 62.34 C ATOM 144 NZ LYS A 12 -20.500 48.250 18.889 1.00 62.22 N ATOM 0 H LYS A 12 -17.240 45.454 20.394 1.00 73.20 H new ATOM 0 HA LYS A 12 -15.230 46.066 18.322 1.00 22.32 H new ATOM 0 HB2 LYS A 12 -15.898 47.676 20.804 1.00 44.01 H new ATOM 0 HB3 LYS A 12 -15.055 48.213 19.364 1.00 44.01 H new ATOM 0 HG2 LYS A 12 -17.129 49.141 18.980 1.00 11.14 H new ATOM 0 HG3 LYS A 12 -17.332 47.609 18.154 1.00 11.14 H new ATOM 0 HD2 LYS A 12 -18.710 46.725 19.817 1.00 52.43 H new ATOM 0 HD3 LYS A 12 -18.019 47.727 21.078 1.00 52.43 H new ATOM 0 HE2 LYS A 12 -19.966 48.896 20.835 1.00 62.34 H new ATOM 0 HE3 LYS A 12 -19.083 49.684 19.542 1.00 62.34 H new ATOM 0 HZ1 LYS A 12 -21.222 48.986 18.751 1.00 62.22 H new ATOM 0 HZ2 LYS A 12 -20.035 48.047 17.981 1.00 62.22 H new ATOM 0 HZ3 LYS A 12 -20.952 47.385 19.248 1.00 62.22 H new ATOM 154 N ALA A 13 -14.634 45.542 21.541 1.00 24.42 N ATOM 155 CA ALA A 13 -13.622 45.075 22.480 1.00 34.22 C ATOM 156 C ALA A 13 -13.174 43.656 22.144 1.00 64.01 C ATOM 157 O ALA A 13 -11.981 43.353 22.150 1.00 10.52 O ATOM 158 CB ALA A 13 -14.153 45.139 23.904 1.00 23.34 C ATOM 0 H ALA A 13 -15.523 45.798 21.972 1.00 24.42 H new ATOM 0 HA ALA A 13 -12.755 45.731 22.397 1.00 34.22 H new ATOM 0 HB1 ALA A 13 -13.386 44.787 24.594 1.00 23.34 H new ATOM 0 HB2 ALA A 13 -14.417 46.168 24.148 1.00 23.34 H new ATOM 0 HB3 ALA A 13 -15.037 44.508 23.991 1.00 23.34 H new ATOM 164 N SER A 14 -14.140 42.790 21.852 1.00 73.44 N ATOM 165 CA SER A 14 -13.846 41.401 21.518 1.00 32.31 C ATOM 166 C SER A 14 -13.114 41.307 20.182 1.00 41.51 C ATOM 167 O SER A 14 -12.164 40.539 20.036 1.00 31.32 O ATOM 168 CB SER A 14 -15.137 40.583 21.464 1.00 13.00 C ATOM 169 OG SER A 14 -16.005 40.928 22.530 1.00 23.32 O ATOM 0 H SER A 14 -15.132 43.026 21.840 1.00 73.44 H new ATOM 0 HA SER A 14 -13.200 40.995 22.296 1.00 32.31 H new ATOM 0 HB2 SER A 14 -15.640 40.754 20.512 1.00 13.00 H new ATOM 0 HB3 SER A 14 -14.900 39.520 21.513 1.00 13.00 H new ATOM 0 HG SER A 14 -16.824 40.392 22.472 1.00 23.32 H new ATOM 174 N GLU A 15 -13.566 42.094 19.210 1.00 11.14 N ATOM 175 CA GLU A 15 -12.955 42.099 17.886 1.00 4.54 C ATOM 176 C GLU A 15 -11.643 42.878 17.895 1.00 54.20 C ATOM 177 O GLU A 15 -10.766 42.645 17.064 1.00 24.54 O ATOM 178 CB GLU A 15 -13.914 42.706 16.860 1.00 51.22 C ATOM 179 CG GLU A 15 -15.269 42.022 16.815 1.00 52.34 C ATOM 180 CD GLU A 15 -15.182 40.583 16.342 1.00 1.00 C ATOM 181 OE1 GLU A 15 -14.437 40.320 15.375 1.00 3.14 O ATOM 182 OE2 GLU A 15 -15.858 39.720 16.941 1.00 62.24 O ATOM 0 H GLU A 15 -14.352 42.735 19.315 1.00 11.14 H new ATOM 0 HA GLU A 15 -12.743 41.067 17.608 1.00 4.54 H new ATOM 0 HB2 GLU A 15 -14.057 43.762 17.089 1.00 51.22 H new ATOM 0 HB3 GLU A 15 -13.457 42.653 15.872 1.00 51.22 H new ATOM 0 HG2 GLU A 15 -15.718 42.047 17.808 1.00 52.34 H new ATOM 0 HG3 GLU A 15 -15.931 42.579 16.152 1.00 52.34 H new ATOM 187 N ALA A 16 -11.517 43.803 18.841 1.00 11.44 N ATOM 188 CA ALA A 16 -10.312 44.615 18.960 1.00 44.42 C ATOM 189 C ALA A 16 -9.217 43.866 19.711 1.00 24.13 C ATOM 190 O ALA A 16 -8.030 44.152 19.547 1.00 12.41 O ATOM 191 CB ALA A 16 -10.629 45.930 19.657 1.00 54.14 C ATOM 0 H ALA A 16 -12.235 44.009 19.536 1.00 11.44 H new ATOM 0 HA ALA A 16 -9.946 44.828 17.956 1.00 44.42 H new ATOM 0 HB1 ALA A 16 -9.720 46.526 19.739 1.00 54.14 H new ATOM 0 HB2 ALA A 16 -11.372 46.479 19.078 1.00 54.14 H new ATOM 0 HB3 ALA A 16 -11.022 45.728 20.653 1.00 54.14 H new ATOM 197 N LEU A 17 -9.622 42.908 20.538 1.00 75.53 N ATOM 198 CA LEU A 17 -8.674 42.117 21.316 1.00 50.13 C ATOM 199 C LEU A 17 -8.561 40.701 20.760 1.00 41.31 C ATOM 200 O LEU A 17 -7.673 39.941 21.145 1.00 11.32 O ATOM 201 CB LEU A 17 -9.104 42.069 22.783 1.00 63.42 C ATOM 202 CG LEU A 17 -10.327 41.206 23.097 1.00 20.53 C ATOM 203 CD1 LEU A 17 -9.919 39.754 23.288 1.00 55.32 C ATOM 204 CD2 LEU A 17 -11.045 41.728 24.333 1.00 61.13 C ATOM 0 H LEU A 17 -10.600 42.660 20.687 1.00 75.53 H new ATOM 0 HA LEU A 17 -7.696 42.594 21.246 1.00 50.13 H new ATOM 0 HB2 LEU A 17 -8.265 41.703 23.375 1.00 63.42 H new ATOM 0 HB3 LEU A 17 -9.308 43.087 23.114 1.00 63.42 H new ATOM 0 HG LEU A 17 -11.014 41.261 22.253 1.00 20.53 H new ATOM 0 HD11 LEU A 17 -10.802 39.154 23.511 1.00 55.32 H new ATOM 0 HD12 LEU A 17 -9.450 39.385 22.376 1.00 55.32 H new ATOM 0 HD13 LEU A 17 -9.212 39.680 24.115 1.00 55.32 H new ATOM 0 HD21 LEU A 17 -11.913 41.102 24.541 1.00 61.13 H new ATOM 0 HD22 LEU A 17 -10.366 41.703 25.186 1.00 61.13 H new ATOM 0 HD23 LEU A 17 -11.371 42.753 24.158 1.00 61.13 H new ATOM 215 N LYS A 18 -9.467 40.353 19.852 1.00 24.23 N ATOM 216 CA LYS A 18 -9.468 39.029 19.241 1.00 63.31 C ATOM 217 C LYS A 18 -8.051 38.598 18.874 1.00 52.51 C ATOM 218 O LYS A 18 -7.453 39.094 17.920 1.00 34.14 O ATOM 219 CB LYS A 18 -10.353 39.024 17.991 1.00 15.11 C ATOM 220 CG LYS A 18 -11.731 38.429 18.226 1.00 20.14 C ATOM 221 CD LYS A 18 -12.112 37.454 17.125 1.00 75.20 C ATOM 222 CE LYS A 18 -13.617 37.243 17.064 1.00 45.03 C ATOM 223 NZ LYS A 18 -14.050 36.090 17.900 1.00 52.13 N ATOM 0 H LYS A 18 -10.210 40.970 19.523 1.00 24.23 H new ATOM 0 HA LYS A 18 -9.868 38.321 19.967 1.00 63.31 H new ATOM 0 HB2 LYS A 18 -10.464 40.047 17.630 1.00 15.11 H new ATOM 0 HB3 LYS A 18 -9.852 38.461 17.203 1.00 15.11 H new ATOM 0 HG2 LYS A 18 -11.748 37.917 19.188 1.00 20.14 H new ATOM 0 HG3 LYS A 18 -12.470 39.229 18.277 1.00 20.14 H new ATOM 0 HD2 LYS A 18 -11.757 37.830 16.166 1.00 75.20 H new ATOM 0 HD3 LYS A 18 -11.616 36.498 17.296 1.00 75.20 H new ATOM 0 HE2 LYS A 18 -14.124 38.147 17.401 1.00 45.03 H new ATOM 0 HE3 LYS A 18 -13.919 37.075 16.030 1.00 45.03 H new ATOM 0 HZ1 LYS A 18 -15.082 35.980 17.831 1.00 52.13 H new ATOM 0 HZ2 LYS A 18 -13.586 35.223 17.562 1.00 52.13 H new ATOM 0 HZ3 LYS A 18 -13.785 36.261 18.891 1.00 52.13 H new ATOM 233 N PRO A 19 -7.501 37.651 19.649 1.00 25.23 N ATOM 234 CA PRO A 19 -6.150 37.131 19.425 1.00 73.01 C ATOM 235 C PRO A 19 -6.056 36.286 18.159 1.00 63.34 C ATOM 236 O PRO A 19 -5.888 35.069 18.223 1.00 15.14 O ATOM 237 CB PRO A 19 -5.891 36.268 20.663 1.00 62.30 C ATOM 238 CG PRO A 19 -7.247 35.865 21.133 1.00 32.24 C ATOM 239 CD PRO A 19 -8.157 37.015 20.804 1.00 23.11 C ATOM 0 HA PRO A 19 -5.424 37.932 19.287 1.00 73.01 H new ATOM 0 HB2 PRO A 19 -5.282 35.398 20.419 1.00 62.30 H new ATOM 0 HB3 PRO A 19 -5.356 36.827 21.431 1.00 62.30 H new ATOM 0 HG2 PRO A 19 -7.577 34.952 20.637 1.00 32.24 H new ATOM 0 HG3 PRO A 19 -7.245 35.663 22.204 1.00 32.24 H new ATOM 0 HD2 PRO A 19 -9.162 36.674 20.557 1.00 23.11 H new ATOM 0 HD3 PRO A 19 -8.251 37.705 21.642 1.00 23.11 H new ATOM 244 N ASP A 20 -6.166 36.941 17.007 1.00 3.01 N ATOM 245 CA ASP A 20 -6.093 36.250 15.725 1.00 0.34 C ATOM 246 C ASP A 20 -4.718 35.621 15.525 1.00 41.42 C ATOM 247 O ASP A 20 -4.502 34.866 14.577 1.00 64.33 O ATOM 248 CB ASP A 20 -6.395 37.220 14.581 1.00 54.51 C ATOM 249 CG ASP A 20 -7.865 37.236 14.209 1.00 23.22 C ATOM 250 OD1 ASP A 20 -8.711 37.157 15.125 1.00 22.53 O ATOM 251 OD2 ASP A 20 -8.170 37.329 13.002 1.00 14.12 O ATOM 0 H ASP A 20 -6.306 37.949 16.936 1.00 3.01 H new ATOM 0 HA ASP A 20 -6.840 35.456 15.725 1.00 0.34 H new ATOM 0 HB2 ASP A 20 -6.085 38.225 14.869 1.00 54.51 H new ATOM 0 HB3 ASP A 20 -5.805 36.942 13.708 1.00 54.51 H new ATOM 255 N SER A 21 -3.792 35.936 16.424 1.00 33.34 N ATOM 256 CA SER A 21 -2.436 35.405 16.343 1.00 0.53 C ATOM 257 C SER A 21 -2.380 33.976 16.874 1.00 1.41 C ATOM 258 O SER A 21 -1.396 33.265 16.669 1.00 61.25 O ATOM 259 CB SER A 21 -1.471 36.291 17.133 1.00 24.21 C ATOM 260 OG SER A 21 -0.215 36.385 16.481 1.00 43.34 O ATOM 0 H SER A 21 -3.955 36.556 17.217 1.00 33.34 H new ATOM 0 HA SER A 21 -2.137 35.398 15.295 1.00 0.53 H new ATOM 0 HB2 SER A 21 -1.899 37.287 17.250 1.00 24.21 H new ATOM 0 HB3 SER A 21 -1.335 35.883 18.135 1.00 24.21 H new ATOM 0 HG SER A 21 0.383 36.958 17.005 1.00 43.34 H new ATOM 265 N GLN A 22 -3.443 33.563 17.556 1.00 11.31 N ATOM 266 CA GLN A 22 -3.515 32.218 18.117 1.00 23.04 C ATOM 267 C GLN A 22 -4.610 31.402 17.437 1.00 23.55 C ATOM 268 O GLN A 22 -4.333 30.401 16.776 1.00 20.13 O ATOM 269 CB GLN A 22 -3.773 32.285 19.623 1.00 50.53 C ATOM 270 CG GLN A 22 -2.667 32.980 20.400 1.00 3.54 C ATOM 271 CD GLN A 22 -1.827 32.014 21.210 1.00 35.53 C ATOM 272 OE1 GLN A 22 -0.907 31.384 20.687 1.00 73.04 O ATOM 273 NE2 GLN A 22 -2.136 31.892 22.496 1.00 30.32 N ATOM 0 H GLN A 22 -4.266 34.139 17.734 1.00 11.31 H new ATOM 0 HA GLN A 22 -2.559 31.726 17.941 1.00 23.04 H new ATOM 0 HB2 GLN A 22 -4.713 32.808 19.799 1.00 50.53 H new ATOM 0 HB3 GLN A 22 -3.895 31.272 20.008 1.00 50.53 H new ATOM 0 HG2 GLN A 22 -2.024 33.520 19.705 1.00 3.54 H new ATOM 0 HG3 GLN A 22 -3.107 33.721 21.068 1.00 3.54 H new ATOM 0 HE21 GLN A 22 -2.906 32.433 22.889 1.00 30.32 H new ATOM 0 HE22 GLN A 22 -1.603 31.257 23.091 1.00 30.32 H new ATOM 280 N LYS A 23 -5.854 31.836 17.604 1.00 21.24 N ATOM 281 CA LYS A 23 -6.992 31.148 17.006 1.00 60.13 C ATOM 282 C LYS A 23 -6.686 30.739 15.569 1.00 54.13 C ATOM 283 O LYS A 23 -6.494 29.558 15.277 1.00 44.15 O ATOM 284 CB LYS A 23 -8.232 32.045 17.038 1.00 13.54 C ATOM 285 CG LYS A 23 -7.935 33.504 16.740 1.00 11.11 C ATOM 286 CD LYS A 23 -8.543 34.422 17.787 1.00 63.32 C ATOM 287 CE LYS A 23 -10.056 34.272 17.849 1.00 53.31 C ATOM 288 NZ LYS A 23 -10.638 34.998 19.011 1.00 43.54 N ATOM 0 H LYS A 23 -6.100 32.662 18.149 1.00 21.24 H new ATOM 0 HA LYS A 23 -7.187 30.248 17.589 1.00 60.13 H new ATOM 0 HB2 LYS A 23 -8.957 31.675 16.313 1.00 13.54 H new ATOM 0 HB3 LYS A 23 -8.698 31.971 18.020 1.00 13.54 H new ATOM 0 HG2 LYS A 23 -6.856 33.657 16.703 1.00 11.11 H new ATOM 0 HG3 LYS A 23 -8.327 33.763 15.756 1.00 11.11 H new ATOM 0 HD2 LYS A 23 -8.114 34.197 18.763 1.00 63.32 H new ATOM 0 HD3 LYS A 23 -8.288 35.457 17.558 1.00 63.32 H new ATOM 0 HE2 LYS A 23 -10.497 34.650 16.927 1.00 53.31 H new ATOM 0 HE3 LYS A 23 -10.314 33.215 17.915 1.00 53.31 H new ATOM 0 HZ1 LYS A 23 -11.673 34.899 18.999 1.00 43.54 H new ATOM 0 HZ2 LYS A 23 -10.262 34.597 19.894 1.00 43.54 H new ATOM 0 HZ3 LYS A 23 -10.385 36.005 18.953 1.00 43.54 H new ATOM 298 N SER A 24 -6.639 31.722 14.676 1.00 70.43 N ATOM 299 CA SER A 24 -6.357 31.463 13.268 1.00 41.45 C ATOM 300 C SER A 24 -5.325 30.350 13.116 1.00 61.31 C ATOM 301 O SER A 24 -5.347 29.597 12.142 1.00 52.42 O ATOM 302 CB SER A 24 -5.857 32.736 12.583 1.00 2.01 C ATOM 303 OG SER A 24 -6.674 33.076 11.476 1.00 13.34 O ATOM 0 H SER A 24 -6.792 32.705 14.902 1.00 70.43 H new ATOM 0 HA SER A 24 -7.283 31.143 12.791 1.00 41.45 H new ATOM 0 HB2 SER A 24 -5.849 33.558 13.299 1.00 2.01 H new ATOM 0 HB3 SER A 24 -4.829 32.593 12.250 1.00 2.01 H new ATOM 0 HG SER A 24 -6.334 33.894 11.057 1.00 13.34 H new ATOM 308 N TYR A 25 -4.421 30.255 14.085 1.00 73.33 N ATOM 309 CA TYR A 25 -3.378 29.236 14.058 1.00 21.24 C ATOM 310 C TYR A 25 -3.885 27.921 14.642 1.00 5.30 C ATOM 311 O TYR A 25 -3.849 26.882 13.985 1.00 33.13 O ATOM 312 CB TYR A 25 -2.151 29.713 14.837 1.00 74.44 C ATOM 313 CG TYR A 25 -1.562 31.002 14.309 1.00 4.10 C ATOM 314 CD1 TYR A 25 -2.298 32.181 14.322 1.00 32.00 C ATOM 315 CD2 TYR A 25 -0.270 31.042 13.800 1.00 54.15 C ATOM 316 CE1 TYR A 25 -1.765 33.361 13.840 1.00 14.40 C ATOM 317 CE2 TYR A 25 0.272 32.217 13.318 1.00 41.04 C ATOM 318 CZ TYR A 25 -0.480 33.374 13.339 1.00 31.31 C ATOM 319 OH TYR A 25 0.056 34.547 12.860 1.00 23.35 O ATOM 0 H TYR A 25 -4.389 30.870 14.898 1.00 73.33 H new ATOM 0 HA TYR A 25 -3.098 29.066 13.018 1.00 21.24 H new ATOM 0 HB2 TYR A 25 -2.426 29.850 15.883 1.00 74.44 H new ATOM 0 HB3 TYR A 25 -1.388 28.936 14.808 1.00 74.44 H new ATOM 0 HD1 TYR A 25 -3.304 32.175 14.716 1.00 32.00 H new ATOM 0 HD2 TYR A 25 0.321 30.138 13.781 1.00 54.15 H new ATOM 0 HE1 TYR A 25 -2.351 34.268 13.855 1.00 14.40 H new ATOM 0 HE2 TYR A 25 1.279 32.230 12.927 1.00 41.04 H new ATOM 0 HH TYR A 25 0.970 34.384 12.545 1.00 23.35 H new ATOM 328 N ALA A 26 -4.360 27.976 15.882 1.00 13.14 N ATOM 329 CA ALA A 26 -4.877 26.792 16.556 1.00 54.41 C ATOM 330 C ALA A 26 -6.206 26.353 15.951 1.00 5.35 C ATOM 331 O ALA A 26 -6.393 25.183 15.624 1.00 73.04 O ATOM 332 CB ALA A 26 -5.035 27.058 18.045 1.00 12.34 C ATOM 0 H ALA A 26 -4.397 28.829 16.440 1.00 13.14 H new ATOM 0 HA ALA A 26 -4.159 25.983 16.418 1.00 54.41 H new ATOM 0 HB1 ALA A 26 -5.422 26.165 18.535 1.00 12.34 H new ATOM 0 HB2 ALA A 26 -4.066 27.316 18.473 1.00 12.34 H new ATOM 0 HB3 ALA A 26 -5.730 27.884 18.195 1.00 12.34 H new ATOM 338 N GLU A 27 -7.127 27.301 15.808 1.00 63.43 N ATOM 339 CA GLU A 27 -8.440 27.011 15.243 1.00 43.03 C ATOM 340 C GLU A 27 -8.311 26.216 13.947 1.00 3.21 C ATOM 341 O GLU A 27 -8.866 25.126 13.819 1.00 53.54 O ATOM 342 CB GLU A 27 -9.207 28.309 14.984 1.00 64.23 C ATOM 343 CG GLU A 27 -10.650 28.091 14.561 1.00 33.12 C ATOM 344 CD GLU A 27 -11.642 28.529 15.621 1.00 32.22 C ATOM 345 OE1 GLU A 27 -11.651 29.731 15.962 1.00 40.11 O ATOM 346 OE2 GLU A 27 -12.407 27.672 16.109 1.00 33.31 O ATOM 0 H GLU A 27 -6.988 28.276 16.075 1.00 63.43 H new ATOM 0 HA GLU A 27 -8.993 26.409 15.965 1.00 43.03 H new ATOM 0 HB2 GLU A 27 -9.191 28.917 15.888 1.00 64.23 H new ATOM 0 HB3 GLU A 27 -8.692 28.877 14.209 1.00 64.23 H new ATOM 0 HG2 GLU A 27 -10.842 28.642 13.640 1.00 33.12 H new ATOM 0 HG3 GLU A 27 -10.804 27.035 14.339 1.00 33.12 H new ATOM 351 N GLN A 28 -7.577 26.771 12.989 1.00 30.21 N ATOM 352 CA GLN A 28 -7.376 26.115 11.703 1.00 71.41 C ATOM 353 C GLN A 28 -6.988 24.652 11.893 1.00 31.31 C ATOM 354 O GLN A 28 -7.410 23.784 11.131 1.00 13.31 O ATOM 355 CB GLN A 28 -6.296 26.842 10.898 1.00 42.54 C ATOM 356 CG GLN A 28 -6.852 27.712 9.783 1.00 4.42 C ATOM 357 CD GLN A 28 -5.881 27.874 8.630 1.00 1.34 C ATOM 358 OE1 GLN A 28 -4.806 27.275 8.621 1.00 32.25 O ATOM 359 NE2 GLN A 28 -6.257 28.686 7.649 1.00 21.12 N ATOM 0 H GLN A 28 -7.111 27.674 13.079 1.00 30.21 H new ATOM 0 HA GLN A 28 -8.316 26.154 11.153 1.00 71.41 H new ATOM 0 HB2 GLN A 28 -5.707 27.463 11.573 1.00 42.54 H new ATOM 0 HB3 GLN A 28 -5.617 26.105 10.469 1.00 42.54 H new ATOM 0 HG2 GLN A 28 -7.779 27.274 9.413 1.00 4.42 H new ATOM 0 HG3 GLN A 28 -7.101 28.694 10.184 1.00 4.42 H new ATOM 0 HE21 GLN A 28 -7.158 29.162 7.698 1.00 21.12 H new ATOM 0 HE22 GLN A 28 -5.645 28.833 6.846 1.00 21.12 H new ATOM 366 N GLY A 29 -6.179 24.387 12.915 1.00 4.20 N ATOM 367 CA GLY A 29 -5.746 23.029 13.186 1.00 1.22 C ATOM 368 C GLY A 29 -6.859 22.168 13.750 1.00 11.21 C ATOM 369 O GLY A 29 -7.051 21.030 13.322 1.00 3.23 O ATOM 0 H GLY A 29 -5.816 25.089 13.560 1.00 4.20 H new ATOM 0 HA2 GLY A 29 -5.373 22.579 12.266 1.00 1.22 H new ATOM 0 HA3 GLY A 29 -4.914 23.050 13.890 1.00 1.22 H new ATOM 372 N LYS A 30 -7.595 22.711 14.714 1.00 34.03 N ATOM 373 CA LYS A 30 -8.695 21.985 15.339 1.00 35.53 C ATOM 374 C LYS A 30 -9.816 21.729 14.337 1.00 32.41 C ATOM 375 O LYS A 30 -10.320 20.611 14.230 1.00 0.02 O ATOM 376 CB LYS A 30 -9.235 22.771 16.536 1.00 41.23 C ATOM 377 CG LYS A 30 -8.913 22.134 17.877 1.00 60.40 C ATOM 378 CD LYS A 30 -8.431 23.167 18.882 1.00 34.20 C ATOM 379 CE LYS A 30 -7.053 23.699 18.517 1.00 0.42 C ATOM 380 NZ LYS A 30 -6.007 22.643 18.614 1.00 40.31 N ATOM 0 H LYS A 30 -7.450 23.652 15.080 1.00 34.03 H new ATOM 0 HA LYS A 30 -8.315 21.024 15.685 1.00 35.53 H new ATOM 0 HB2 LYS A 30 -8.822 23.780 16.514 1.00 41.23 H new ATOM 0 HB3 LYS A 30 -10.316 22.867 16.439 1.00 41.23 H new ATOM 0 HG2 LYS A 30 -9.800 21.633 18.265 1.00 60.40 H new ATOM 0 HG3 LYS A 30 -8.148 21.370 17.744 1.00 60.40 H new ATOM 0 HD2 LYS A 30 -9.141 23.993 18.926 1.00 34.20 H new ATOM 0 HD3 LYS A 30 -8.399 22.721 19.876 1.00 34.20 H new ATOM 0 HE2 LYS A 30 -7.074 24.097 17.502 1.00 0.42 H new ATOM 0 HE3 LYS A 30 -6.796 24.526 19.179 1.00 0.42 H new ATOM 0 HZ1 LYS A 30 -5.066 23.086 18.627 1.00 40.31 H new ATOM 0 HZ2 LYS A 30 -6.145 22.097 19.489 1.00 40.31 H new ATOM 0 HZ3 LYS A 30 -6.079 22.007 17.794 1.00 40.31 H new ATOM 390 N GLU A 31 -10.199 22.770 13.605 1.00 21.21 N ATOM 391 CA GLU A 31 -11.259 22.655 12.611 1.00 54.11 C ATOM 392 C GLU A 31 -11.090 21.388 11.778 1.00 73.31 C ATOM 393 O GLU A 31 -12.070 20.767 11.366 1.00 70.13 O ATOM 394 CB GLU A 31 -11.267 23.882 11.697 1.00 53.31 C ATOM 395 CG GLU A 31 -11.679 25.163 12.402 1.00 41.20 C ATOM 396 CD GLU A 31 -12.615 26.015 11.565 1.00 34.13 C ATOM 397 OE1 GLU A 31 -12.142 26.635 10.590 1.00 75.11 O ATOM 398 OE2 GLU A 31 -13.821 26.060 11.887 1.00 73.31 O ATOM 0 H GLU A 31 -9.791 23.702 13.682 1.00 21.21 H new ATOM 0 HA GLU A 31 -12.211 22.597 13.139 1.00 54.11 H new ATOM 0 HB2 GLU A 31 -10.272 24.015 11.272 1.00 53.31 H new ATOM 0 HB3 GLU A 31 -11.947 23.700 10.865 1.00 53.31 H new ATOM 0 HG2 GLU A 31 -12.166 24.914 13.345 1.00 41.20 H new ATOM 0 HG3 GLU A 31 -10.788 25.741 12.646 1.00 41.20 H new ATOM 403 N TYR A 32 -9.839 21.010 11.534 1.00 41.54 N ATOM 404 CA TYR A 32 -9.541 19.819 10.749 1.00 60.55 C ATOM 405 C TYR A 32 -9.737 18.554 11.580 1.00 61.54 C ATOM 406 O TYR A 32 -10.246 17.548 11.086 1.00 53.20 O ATOM 407 CB TYR A 32 -8.106 19.878 10.220 1.00 52.14 C ATOM 408 CG TYR A 32 -7.661 18.606 9.535 1.00 21.01 C ATOM 409 CD1 TYR A 32 -7.474 17.434 10.257 1.00 70.43 C ATOM 410 CD2 TYR A 32 -7.426 18.577 8.166 1.00 75.15 C ATOM 411 CE1 TYR A 32 -7.066 16.269 9.635 1.00 11.50 C ATOM 412 CE2 TYR A 32 -7.019 17.416 7.536 1.00 22.41 C ATOM 413 CZ TYR A 32 -6.841 16.265 8.275 1.00 13.01 C ATOM 414 OH TYR A 32 -6.434 15.107 7.652 1.00 64.54 O ATOM 0 H TYR A 32 -9.016 21.512 11.869 1.00 41.54 H new ATOM 0 HA TYR A 32 -10.232 19.788 9.906 1.00 60.55 H new ATOM 0 HB2 TYR A 32 -8.020 20.708 9.518 1.00 52.14 H new ATOM 0 HB3 TYR A 32 -7.430 20.090 11.049 1.00 52.14 H new ATOM 0 HD1 TYR A 32 -7.650 17.433 11.322 1.00 70.43 H new ATOM 0 HD2 TYR A 32 -7.564 19.477 7.584 1.00 75.15 H new ATOM 0 HE1 TYR A 32 -6.924 15.367 10.211 1.00 11.50 H new ATOM 0 HE2 TYR A 32 -6.841 17.410 6.471 1.00 22.41 H new ATOM 0 HH TYR A 32 -6.321 15.274 6.693 1.00 64.54 H new ATOM 423 N ILE A 33 -9.329 18.616 12.842 1.00 12.50 N ATOM 424 CA ILE A 33 -9.462 17.477 13.743 1.00 34.41 C ATOM 425 C ILE A 33 -10.889 17.351 14.263 1.00 1.33 C ATOM 426 O ILE A 33 -11.558 16.341 14.037 1.00 23.11 O ATOM 427 CB ILE A 33 -8.498 17.591 14.940 1.00 24.11 C ATOM 428 CG1 ILE A 33 -7.096 17.129 14.540 1.00 62.22 C ATOM 429 CG2 ILE A 33 -9.016 16.776 16.115 1.00 52.31 C ATOM 430 CD1 ILE A 33 -6.434 18.025 13.517 1.00 73.23 C ATOM 0 H ILE A 33 -8.904 19.441 13.264 1.00 12.50 H new ATOM 0 HA ILE A 33 -9.209 16.587 13.167 1.00 34.41 H new ATOM 0 HB ILE A 33 -8.441 18.636 15.244 1.00 24.11 H new ATOM 0 HG12 ILE A 33 -6.469 17.083 15.431 1.00 62.22 H new ATOM 0 HG13 ILE A 33 -7.156 16.117 14.140 1.00 62.22 H new ATOM 0 HG21 ILE A 33 -8.325 16.866 16.953 1.00 52.31 H new ATOM 0 HG22 ILE A 33 -9.997 17.148 16.412 1.00 52.31 H new ATOM 0 HG23 ILE A 33 -9.098 15.729 15.823 1.00 52.31 H new ATOM 0 HD11 ILE A 33 -5.443 17.637 13.280 1.00 73.23 H new ATOM 0 HD12 ILE A 33 -7.039 18.052 12.611 1.00 73.23 H new ATOM 0 HD13 ILE A 33 -6.342 19.033 13.922 1.00 73.23 H new ATOM 441 N THR A 34 -11.352 18.383 14.962 1.00 11.51 N ATOM 442 CA THR A 34 -12.700 18.388 15.514 1.00 4.52 C ATOM 443 C THR A 34 -13.651 17.565 14.653 1.00 41.22 C ATOM 444 O THR A 34 -14.394 16.725 15.162 1.00 65.05 O ATOM 445 CB THR A 34 -13.251 19.822 15.639 1.00 34.02 C ATOM 446 OG1 THR A 34 -14.659 19.786 15.898 1.00 12.25 O ATOM 447 CG2 THR A 34 -12.984 20.617 14.370 1.00 13.12 C ATOM 0 H THR A 34 -10.812 19.226 15.159 1.00 11.51 H new ATOM 0 HA THR A 34 -12.636 17.943 16.507 1.00 4.52 H new ATOM 0 HB THR A 34 -12.742 20.311 16.469 1.00 34.02 H new ATOM 0 HG1 THR A 34 -15.000 20.701 15.977 1.00 12.25 H new ATOM 0 HG21 THR A 34 -13.382 21.626 14.482 1.00 13.12 H new ATOM 0 HG22 THR A 34 -11.910 20.668 14.192 1.00 13.12 H new ATOM 0 HG23 THR A 34 -13.469 20.128 13.525 1.00 13.12 H new ATOM 455 N ASP A 35 -13.622 17.810 13.348 1.00 3.42 N ATOM 456 CA ASP A 35 -14.481 17.089 12.416 1.00 73.54 C ATOM 457 C ASP A 35 -14.272 15.583 12.539 1.00 55.12 C ATOM 458 O ASP A 35 -15.181 14.850 12.932 1.00 35.44 O ATOM 459 CB ASP A 35 -14.202 17.539 10.980 1.00 3.54 C ATOM 460 CG ASP A 35 -15.474 17.769 10.188 1.00 70.00 C ATOM 461 OD1 ASP A 35 -16.169 16.778 9.881 1.00 53.31 O ATOM 462 OD2 ASP A 35 -15.775 18.940 9.877 1.00 12.15 O ATOM 0 H ASP A 35 -13.013 18.502 12.911 1.00 3.42 H new ATOM 0 HA ASP A 35 -15.518 17.316 12.665 1.00 73.54 H new ATOM 0 HB2 ASP A 35 -13.617 18.459 10.998 1.00 3.54 H new ATOM 0 HB3 ASP A 35 -13.596 16.785 10.477 1.00 3.54 H new ATOM 466 N LYS A 36 -13.072 15.126 12.199 1.00 21.42 N ATOM 467 CA LYS A 36 -12.743 13.708 12.270 1.00 12.34 C ATOM 468 C LYS A 36 -12.689 13.235 13.720 1.00 21.44 C ATOM 469 O LYS A 36 -13.191 12.162 14.051 1.00 55.11 O ATOM 470 CB LYS A 36 -11.401 13.439 11.584 1.00 2.55 C ATOM 471 CG LYS A 36 -10.663 14.702 11.175 1.00 52.02 C ATOM 472 CD LYS A 36 -11.208 15.268 9.874 1.00 21.22 C ATOM 473 CE LYS A 36 -10.089 15.595 8.897 1.00 21.22 C ATOM 474 NZ LYS A 36 -10.509 15.391 7.483 1.00 13.40 N ATOM 0 H LYS A 36 -12.310 15.719 11.871 1.00 21.42 H new ATOM 0 HA LYS A 36 -13.525 13.152 11.753 1.00 12.34 H new ATOM 0 HB2 LYS A 36 -10.768 12.860 12.257 1.00 2.55 H new ATOM 0 HB3 LYS A 36 -11.571 12.825 10.700 1.00 2.55 H new ATOM 0 HG2 LYS A 36 -10.753 15.449 11.964 1.00 52.02 H new ATOM 0 HG3 LYS A 36 -9.601 14.484 11.062 1.00 52.02 H new ATOM 0 HD2 LYS A 36 -11.890 14.549 9.420 1.00 21.22 H new ATOM 0 HD3 LYS A 36 -11.786 16.168 10.082 1.00 21.22 H new ATOM 0 HE2 LYS A 36 -9.776 16.630 9.037 1.00 21.22 H new ATOM 0 HE3 LYS A 36 -9.224 14.968 9.113 1.00 21.22 H new ATOM 0 HZ1 LYS A 36 -9.718 15.625 6.849 1.00 13.40 H new ATOM 0 HZ2 LYS A 36 -10.784 14.398 7.342 1.00 13.40 H new ATOM 0 HZ3 LYS A 36 -11.318 16.008 7.269 1.00 13.40 H new ATOM 484 N ALA A 37 -12.078 14.044 14.579 1.00 71.31 N ATOM 485 CA ALA A 37 -11.962 13.709 15.993 1.00 35.31 C ATOM 486 C ALA A 37 -13.282 13.183 16.543 1.00 43.54 C ATOM 487 O ALA A 37 -13.332 12.110 17.147 1.00 24.54 O ATOM 488 CB ALA A 37 -11.504 14.924 16.788 1.00 63.53 C ATOM 0 H ALA A 37 -11.656 14.936 14.321 1.00 71.31 H new ATOM 0 HA ALA A 37 -11.217 12.920 16.093 1.00 35.31 H new ATOM 0 HB1 ALA A 37 -11.422 14.659 17.842 1.00 63.53 H new ATOM 0 HB2 ALA A 37 -10.533 15.255 16.420 1.00 63.53 H new ATOM 0 HB3 ALA A 37 -12.229 15.729 16.672 1.00 63.53 H new ATOM 494 N ASP A 38 -14.352 13.943 16.330 1.00 13.40 N ATOM 495 CA ASP A 38 -15.675 13.552 16.804 1.00 13.15 C ATOM 496 C ASP A 38 -16.036 12.154 16.314 1.00 54.32 C ATOM 497 O ASP A 38 -16.834 11.452 16.937 1.00 75.51 O ATOM 498 CB ASP A 38 -16.726 14.558 16.334 1.00 13.24 C ATOM 499 CG ASP A 38 -17.966 14.549 17.207 1.00 62.32 C ATOM 500 OD1 ASP A 38 -18.549 13.462 17.397 1.00 50.14 O ATOM 501 OD2 ASP A 38 -18.353 15.630 17.698 1.00 5.01 O ATOM 0 H ASP A 38 -14.329 14.833 15.832 1.00 13.40 H new ATOM 0 HA ASP A 38 -15.655 13.542 17.894 1.00 13.15 H new ATOM 0 HB2 ASP A 38 -16.293 15.558 16.333 1.00 13.24 H new ATOM 0 HB3 ASP A 38 -17.007 14.332 15.306 1.00 13.24 H new ATOM 505 N LYS A 39 -15.446 11.754 15.192 1.00 74.30 N ATOM 506 CA LYS A 39 -15.705 10.439 14.617 1.00 24.35 C ATOM 507 C LYS A 39 -14.679 9.421 15.104 1.00 3.21 C ATOM 508 O LYS A 39 -15.033 8.418 15.725 1.00 74.43 O ATOM 509 CB LYS A 39 -15.678 10.515 13.089 1.00 62.25 C ATOM 510 CG LYS A 39 -16.397 9.362 12.410 1.00 3.42 C ATOM 511 CD LYS A 39 -15.715 8.966 11.111 1.00 14.51 C ATOM 512 CE LYS A 39 -16.704 8.370 10.122 1.00 60.33 C ATOM 513 NZ LYS A 39 -17.311 9.413 9.249 1.00 34.34 N ATOM 0 H LYS A 39 -14.785 12.322 14.663 1.00 74.30 H new ATOM 0 HA LYS A 39 -16.694 10.116 14.942 1.00 24.35 H new ATOM 0 HB2 LYS A 39 -16.133 11.453 12.772 1.00 62.25 H new ATOM 0 HB3 LYS A 39 -14.641 10.534 12.753 1.00 62.25 H new ATOM 0 HG2 LYS A 39 -16.427 8.504 13.082 1.00 3.42 H new ATOM 0 HG3 LYS A 39 -17.430 9.645 12.208 1.00 3.42 H new ATOM 0 HD2 LYS A 39 -15.238 9.840 10.668 1.00 14.51 H new ATOM 0 HD3 LYS A 39 -14.926 8.243 11.319 1.00 14.51 H new ATOM 0 HE2 LYS A 39 -16.198 7.629 9.504 1.00 60.33 H new ATOM 0 HE3 LYS A 39 -17.491 7.848 10.666 1.00 60.33 H new ATOM 0 HZ1 LYS A 39 -17.979 8.967 8.589 1.00 34.34 H new ATOM 0 HZ2 LYS A 39 -17.816 10.107 9.837 1.00 34.34 H new ATOM 0 HZ3 LYS A 39 -16.562 9.894 8.711 1.00 34.34 H new ATOM 523 N VAL A 40 -13.408 9.685 14.821 1.00 43.40 N ATOM 524 CA VAL A 40 -12.331 8.793 15.234 1.00 64.25 C ATOM 525 C VAL A 40 -12.357 8.559 16.739 1.00 51.50 C ATOM 526 O VAL A 40 -11.585 7.759 17.268 1.00 63.12 O ATOM 527 CB VAL A 40 -10.953 9.355 14.836 1.00 40.25 C ATOM 528 CG1 VAL A 40 -10.645 9.036 13.381 1.00 51.44 C ATOM 529 CG2 VAL A 40 -10.898 10.854 15.084 1.00 2.30 C ATOM 0 H VAL A 40 -13.098 10.510 14.307 1.00 43.40 H new ATOM 0 HA VAL A 40 -12.491 7.845 14.720 1.00 64.25 H new ATOM 0 HB VAL A 40 -10.193 8.879 15.456 1.00 40.25 H new ATOM 0 HG11 VAL A 40 -9.668 9.441 13.119 1.00 51.44 H new ATOM 0 HG12 VAL A 40 -10.640 7.955 13.239 1.00 51.44 H new ATOM 0 HG13 VAL A 40 -11.406 9.483 12.742 1.00 51.44 H new ATOM 0 HG21 VAL A 40 -9.918 11.234 14.797 1.00 2.30 H new ATOM 0 HG22 VAL A 40 -11.667 11.349 14.491 1.00 2.30 H new ATOM 0 HG23 VAL A 40 -11.070 11.054 16.142 1.00 2.30 H new ATOM 539 N ALA A 41 -13.252 9.263 17.426 1.00 33.03 N ATOM 540 CA ALA A 41 -13.380 9.130 18.873 1.00 14.00 C ATOM 541 C ALA A 41 -14.526 8.193 19.238 1.00 53.11 C ATOM 542 O ALA A 41 -14.481 7.511 20.260 1.00 1.22 O ATOM 543 CB ALA A 41 -13.588 10.495 19.511 1.00 2.12 C ATOM 0 H ALA A 41 -13.898 9.930 17.004 1.00 33.03 H new ATOM 0 HA ALA A 41 -12.456 8.698 19.257 1.00 14.00 H new ATOM 0 HB1 ALA A 41 -13.682 10.381 20.591 1.00 2.12 H new ATOM 0 HB2 ALA A 41 -12.735 11.135 19.286 1.00 2.12 H new ATOM 0 HB3 ALA A 41 -14.496 10.948 19.113 1.00 2.12 H new ATOM 549 N GLY A 42 -15.554 8.166 18.394 1.00 14.14 N ATOM 550 CA GLY A 42 -16.698 7.309 18.647 1.00 4.34 C ATOM 551 C GLY A 42 -16.586 5.970 17.945 1.00 42.11 C ATOM 552 O GLY A 42 -17.217 4.993 18.350 1.00 43.41 O ATOM 0 H GLY A 42 -15.615 8.722 17.541 1.00 14.14 H new ATOM 0 HA2 GLY A 42 -16.796 7.146 19.720 1.00 4.34 H new ATOM 0 HA3 GLY A 42 -17.606 7.814 18.317 1.00 4.34 H new ATOM 555 N LYS A 43 -15.783 5.924 16.888 1.00 51.21 N ATOM 556 CA LYS A 43 -15.590 4.695 16.126 1.00 24.22 C ATOM 557 C LYS A 43 -14.529 3.813 16.776 1.00 1.11 C ATOM 558 O LYS A 43 -14.723 2.608 16.939 1.00 42.12 O ATOM 559 CB LYS A 43 -15.185 5.022 14.686 1.00 14.45 C ATOM 560 CG LYS A 43 -14.044 6.019 14.587 1.00 25.21 C ATOM 561 CD LYS A 43 -12.743 5.341 14.193 1.00 21.33 C ATOM 562 CE LYS A 43 -12.886 4.579 12.885 1.00 64.34 C ATOM 563 NZ LYS A 43 -11.686 4.736 12.017 1.00 24.22 N ATOM 0 H LYS A 43 -15.255 6.724 16.539 1.00 51.21 H new ATOM 0 HA LYS A 43 -16.534 4.150 16.117 1.00 24.22 H new ATOM 0 HB2 LYS A 43 -14.896 4.101 14.181 1.00 14.45 H new ATOM 0 HB3 LYS A 43 -16.050 5.419 14.155 1.00 14.45 H new ATOM 0 HG2 LYS A 43 -14.292 6.786 13.853 1.00 25.21 H new ATOM 0 HG3 LYS A 43 -13.917 6.524 15.545 1.00 25.21 H new ATOM 0 HD2 LYS A 43 -11.957 6.089 14.095 1.00 21.33 H new ATOM 0 HD3 LYS A 43 -12.435 4.656 14.983 1.00 21.33 H new ATOM 0 HE2 LYS A 43 -13.045 3.522 13.096 1.00 64.34 H new ATOM 0 HE3 LYS A 43 -13.768 4.934 12.352 1.00 64.34 H new ATOM 0 HZ1 LYS A 43 -11.823 4.202 11.135 1.00 24.22 H new ATOM 0 HZ2 LYS A 43 -11.548 5.742 11.794 1.00 24.22 H new ATOM 0 HZ3 LYS A 43 -10.848 4.374 12.515 1.00 24.22 H new ATOM 573 N VAL A 44 -13.407 4.421 17.149 1.00 73.05 N ATOM 574 CA VAL A 44 -12.316 3.690 17.783 1.00 25.12 C ATOM 575 C VAL A 44 -12.845 2.706 18.821 1.00 74.35 C ATOM 576 O VAL A 44 -12.347 1.585 18.936 1.00 44.23 O ATOM 577 CB VAL A 44 -11.320 4.648 18.463 1.00 24.02 C ATOM 578 CG1 VAL A 44 -10.359 5.234 17.439 1.00 11.34 C ATOM 579 CG2 VAL A 44 -12.062 5.752 19.202 1.00 61.33 C ATOM 0 H VAL A 44 -13.230 5.418 17.023 1.00 73.05 H new ATOM 0 HA VAL A 44 -11.801 3.141 16.994 1.00 25.12 H new ATOM 0 HB VAL A 44 -10.738 4.082 19.191 1.00 24.02 H new ATOM 0 HG11 VAL A 44 -9.663 5.908 17.938 1.00 11.34 H new ATOM 0 HG12 VAL A 44 -9.803 4.429 16.959 1.00 11.34 H new ATOM 0 HG13 VAL A 44 -10.922 5.785 16.686 1.00 11.34 H new ATOM 0 HG21 VAL A 44 -11.343 6.419 19.676 1.00 61.33 H new ATOM 0 HG22 VAL A 44 -12.671 6.317 18.496 1.00 61.33 H new ATOM 0 HG23 VAL A 44 -12.705 5.311 19.964 1.00 61.33 H new ATOM 589 N GLN A 45 -13.856 3.131 19.571 1.00 33.12 N ATOM 590 CA GLN A 45 -14.451 2.285 20.599 1.00 3.21 C ATOM 591 C GLN A 45 -14.586 0.847 20.110 1.00 43.41 C ATOM 592 O GLN A 45 -15.490 0.508 19.346 1.00 43.02 O ATOM 593 CB GLN A 45 -15.821 2.830 21.006 1.00 43.33 C ATOM 594 CG GLN A 45 -15.838 4.334 21.226 1.00 70.32 C ATOM 595 CD GLN A 45 -16.904 4.767 22.212 1.00 45.22 C ATOM 596 OE1 GLN A 45 -17.929 4.102 22.369 1.00 54.10 O ATOM 597 NE2 GLN A 45 -16.670 5.889 22.883 1.00 64.31 N ATOM 0 H GLN A 45 -14.280 4.055 19.487 1.00 33.12 H new ATOM 0 HA GLN A 45 -13.792 2.293 21.467 1.00 3.21 H new ATOM 0 HB2 GLN A 45 -16.547 2.576 20.234 1.00 43.33 H new ATOM 0 HB3 GLN A 45 -16.142 2.334 21.922 1.00 43.33 H new ATOM 0 HG2 GLN A 45 -14.861 4.655 21.588 1.00 70.32 H new ATOM 0 HG3 GLN A 45 -16.005 4.835 20.273 1.00 70.32 H new ATOM 0 HE21 GLN A 45 -15.807 6.409 22.722 1.00 64.31 H new ATOM 0 HE22 GLN A 45 -17.353 6.231 23.559 1.00 64.31 H new ATOM 604 N PRO A 46 -13.668 -0.020 20.559 1.00 54.33 N ATOM 605 CA PRO A 46 -13.664 -1.437 20.180 1.00 1.13 C ATOM 606 C PRO A 46 -14.831 -2.204 20.792 1.00 1.44 C ATOM 607 O PRO A 46 -15.183 -3.288 20.330 1.00 75.42 O ATOM 608 CB PRO A 46 -12.334 -1.950 20.738 1.00 44.13 C ATOM 609 CG PRO A 46 -12.018 -1.031 21.867 1.00 4.44 C ATOM 610 CD PRO A 46 -12.562 0.314 21.472 1.00 2.14 C ATOM 0 HA PRO A 46 -13.770 -1.571 19.104 1.00 1.13 H new ATOM 0 HB2 PRO A 46 -12.419 -2.982 21.079 1.00 44.13 H new ATOM 0 HB3 PRO A 46 -11.552 -1.929 19.979 1.00 44.13 H new ATOM 0 HG2 PRO A 46 -12.475 -1.380 22.793 1.00 4.44 H new ATOM 0 HG3 PRO A 46 -10.943 -0.981 22.040 1.00 4.44 H new ATOM 0 HD2 PRO A 46 -12.912 0.876 22.338 1.00 2.14 H new ATOM 0 HD3 PRO A 46 -11.805 0.925 20.980 1.00 2.14 H new ATOM 615 N GLU A 47 -15.426 -1.633 21.834 1.00 44.53 N ATOM 616 CA GLU A 47 -16.554 -2.265 22.510 1.00 41.11 C ATOM 617 C GLU A 47 -17.877 -1.812 21.899 1.00 4.31 C ATOM 618 O GLU A 47 -18.918 -2.432 22.120 1.00 64.55 O ATOM 619 CB GLU A 47 -16.531 -1.938 24.005 1.00 73.34 C ATOM 620 CG GLU A 47 -15.361 -2.563 24.745 1.00 13.14 C ATOM 621 CD GLU A 47 -15.805 -3.486 25.864 1.00 61.23 C ATOM 622 OE1 GLU A 47 -16.345 -2.982 26.870 1.00 15.33 O ATOM 623 OE2 GLU A 47 -15.612 -4.713 25.732 1.00 55.12 O ATOM 0 H GLU A 47 -15.147 -0.735 22.229 1.00 44.53 H new ATOM 0 HA GLU A 47 -16.464 -3.344 22.381 1.00 41.11 H new ATOM 0 HB2 GLU A 47 -16.494 -0.856 24.131 1.00 73.34 H new ATOM 0 HB3 GLU A 47 -17.461 -2.280 24.458 1.00 73.34 H new ATOM 0 HG2 GLU A 47 -14.747 -3.123 24.040 1.00 13.14 H new ATOM 0 HG3 GLU A 47 -14.733 -1.773 25.158 1.00 13.14 H new ATOM 628 N ASP A 48 -17.828 -0.727 21.134 1.00 14.21 N ATOM 629 CA ASP A 48 -19.023 -0.191 20.491 1.00 31.14 C ATOM 630 C ASP A 48 -19.027 -0.509 18.999 1.00 35.23 C ATOM 631 O ASP A 48 -19.721 0.139 18.219 1.00 61.42 O ATOM 632 CB ASP A 48 -19.105 1.322 20.702 1.00 34.34 C ATOM 633 CG ASP A 48 -20.534 1.820 20.771 1.00 40.42 C ATOM 634 OD1 ASP A 48 -21.376 1.125 21.378 1.00 0.13 O ATOM 635 OD2 ASP A 48 -20.813 2.905 20.218 1.00 73.34 O ATOM 0 H ASP A 48 -16.975 -0.202 20.944 1.00 14.21 H new ATOM 0 HA ASP A 48 -19.894 -0.663 20.947 1.00 31.14 H new ATOM 0 HB2 ASP A 48 -18.586 1.586 21.624 1.00 34.34 H new ATOM 0 HB3 ASP A 48 -18.586 1.828 19.888 1.00 34.34 H new ATOM 639 N ASN A 49 -18.246 -1.513 18.611 1.00 11.23 N ATOM 640 CA ASN A 49 -18.158 -1.916 17.213 1.00 50.45 C ATOM 641 C ASN A 49 -19.543 -2.208 16.644 1.00 71.50 C ATOM 642 O ASN A 49 -19.774 -2.070 15.442 1.00 42.13 O ATOM 643 CB ASN A 49 -17.267 -3.152 17.072 1.00 35.44 C ATOM 644 CG ASN A 49 -16.764 -3.345 15.654 1.00 44.42 C ATOM 645 OD1 ASN A 49 -15.782 -2.728 15.243 1.00 23.13 O ATOM 646 ND2 ASN A 49 -17.439 -4.204 14.899 1.00 20.12 N ATOM 0 H ASN A 49 -17.666 -2.062 19.245 1.00 11.23 H new ATOM 0 HA ASN A 49 -17.718 -1.093 16.650 1.00 50.45 H new ATOM 0 HB2 ASN A 49 -16.416 -3.062 17.747 1.00 35.44 H new ATOM 0 HB3 ASN A 49 -17.826 -4.036 17.380 1.00 35.44 H new ATOM 0 HD21 ASN A 49 -17.149 -4.374 13.936 1.00 20.12 H new ATOM 0 HD22 ASN A 49 -18.248 -4.694 15.282 1.00 20.12 H new ATOM 652 N LYS A 50 -20.462 -2.610 17.514 1.00 52.24 N ATOM 653 CA LYS A 50 -21.826 -2.919 17.100 1.00 21.41 C ATOM 654 C LYS A 50 -22.737 -1.708 17.280 1.00 71.40 C ATOM 655 O LYS A 50 -23.529 -1.380 16.398 1.00 43.33 O ATOM 656 CB LYS A 50 -22.370 -4.103 17.904 1.00 73.42 C ATOM 657 CG LYS A 50 -22.717 -5.309 17.049 1.00 34.14 C ATOM 658 CD LYS A 50 -22.011 -6.563 17.541 1.00 64.42 C ATOM 659 CE LYS A 50 -22.333 -7.763 16.665 1.00 40.42 C ATOM 660 NZ LYS A 50 -21.177 -8.155 15.813 1.00 31.42 N ATOM 0 H LYS A 50 -20.287 -2.730 18.512 1.00 52.24 H new ATOM 0 HA LYS A 50 -21.807 -3.184 16.043 1.00 21.41 H new ATOM 0 HB2 LYS A 50 -21.630 -4.397 18.649 1.00 73.42 H new ATOM 0 HB3 LYS A 50 -23.260 -3.785 18.447 1.00 73.42 H new ATOM 0 HG2 LYS A 50 -23.795 -5.468 17.063 1.00 34.14 H new ATOM 0 HG3 LYS A 50 -22.437 -5.115 16.014 1.00 34.14 H new ATOM 0 HD2 LYS A 50 -20.934 -6.396 17.550 1.00 64.42 H new ATOM 0 HD3 LYS A 50 -22.310 -6.771 18.569 1.00 64.42 H new ATOM 0 HE2 LYS A 50 -22.622 -8.605 17.294 1.00 40.42 H new ATOM 0 HE3 LYS A 50 -23.189 -7.530 16.031 1.00 40.42 H new ATOM 0 HZ1 LYS A 50 -21.437 -8.977 15.231 1.00 31.42 H new ATOM 0 HZ2 LYS A 50 -20.917 -7.361 15.194 1.00 31.42 H new ATOM 0 HZ3 LYS A 50 -20.368 -8.402 16.418 1.00 31.42 H new ATOM 670 N GLY A 51 -22.616 -1.048 18.427 1.00 1.24 N ATOM 671 CA GLY A 51 -23.433 0.120 18.701 1.00 41.14 C ATOM 672 C GLY A 51 -23.410 1.123 17.563 1.00 2.44 C ATOM 673 O GLY A 51 -24.375 1.857 17.354 1.00 1.40 O ATOM 0 H GLY A 51 -21.967 -1.301 19.172 1.00 1.24 H new ATOM 0 HA2 GLY A 51 -24.461 -0.194 18.884 1.00 41.14 H new ATOM 0 HA3 GLY A 51 -23.079 0.601 19.613 1.00 41.14 H new ATOM 676 N VAL A 52 -22.303 1.155 16.828 1.00 4.41 N ATOM 677 CA VAL A 52 -22.158 2.076 15.706 1.00 13.30 C ATOM 678 C VAL A 52 -23.098 1.705 14.565 1.00 3.44 C ATOM 679 O VAL A 52 -23.684 2.575 13.921 1.00 1.22 O ATOM 680 CB VAL A 52 -20.711 2.095 15.179 1.00 13.53 C ATOM 681 CG1 VAL A 52 -19.757 2.589 16.257 1.00 51.01 C ATOM 682 CG2 VAL A 52 -20.305 0.713 14.690 1.00 13.31 C ATOM 0 H VAL A 52 -21.494 0.555 16.989 1.00 4.41 H new ATOM 0 HA VAL A 52 -22.415 3.068 16.076 1.00 13.30 H new ATOM 0 HB VAL A 52 -20.658 2.784 14.336 1.00 13.53 H new ATOM 0 HG11 VAL A 52 -18.739 2.596 15.867 1.00 51.01 H new ATOM 0 HG12 VAL A 52 -20.038 3.599 16.556 1.00 51.01 H new ATOM 0 HG13 VAL A 52 -19.810 1.927 17.121 1.00 51.01 H new ATOM 0 HG21 VAL A 52 -19.280 0.744 14.321 1.00 13.31 H new ATOM 0 HG22 VAL A 52 -20.373 0.001 15.513 1.00 13.31 H new ATOM 0 HG23 VAL A 52 -20.971 0.402 13.885 1.00 13.31 H new ATOM 692 N PHE A 53 -23.238 0.406 14.319 1.00 3.41 N ATOM 693 CA PHE A 53 -24.107 -0.081 13.255 1.00 62.53 C ATOM 694 C PHE A 53 -25.520 -0.327 13.776 1.00 63.05 C ATOM 695 O PHE A 53 -26.445 -0.567 13.000 1.00 24.31 O ATOM 696 CB PHE A 53 -23.541 -1.370 12.656 1.00 40.14 C ATOM 697 CG PHE A 53 -22.379 -1.141 11.732 1.00 73.13 C ATOM 698 CD1 PHE A 53 -22.574 -0.600 10.472 1.00 3.02 C ATOM 699 CD2 PHE A 53 -21.091 -1.470 12.123 1.00 30.14 C ATOM 700 CE1 PHE A 53 -21.507 -0.387 9.620 1.00 32.31 C ATOM 701 CE2 PHE A 53 -20.019 -1.260 11.276 1.00 65.30 C ATOM 702 CZ PHE A 53 -20.228 -0.719 10.021 1.00 33.24 C ATOM 0 H PHE A 53 -22.760 -0.328 14.842 1.00 3.41 H new ATOM 0 HA PHE A 53 -24.153 0.683 12.479 1.00 62.53 H new ATOM 0 HB2 PHE A 53 -23.227 -2.030 13.465 1.00 40.14 H new ATOM 0 HB3 PHE A 53 -24.332 -1.886 12.112 1.00 40.14 H new ATOM 0 HD1 PHE A 53 -23.572 -0.341 10.151 1.00 3.02 H new ATOM 0 HD2 PHE A 53 -20.923 -1.896 13.101 1.00 30.14 H new ATOM 0 HE1 PHE A 53 -21.673 0.039 8.641 1.00 32.31 H new ATOM 0 HE2 PHE A 53 -19.020 -1.518 11.594 1.00 65.30 H new ATOM 0 HZ PHE A 53 -19.393 -0.556 9.356 1.00 33.24 H new ATOM 711 N GLN A 54 -25.678 -0.266 15.094 1.00 34.32 N ATOM 712 CA GLN A 54 -26.976 -0.482 15.719 1.00 54.53 C ATOM 713 C GLN A 54 -27.950 0.632 15.352 1.00 53.30 C ATOM 714 O GLN A 54 -29.115 0.378 15.049 1.00 72.30 O ATOM 715 CB GLN A 54 -26.828 -0.567 17.239 1.00 24.23 C ATOM 716 CG GLN A 54 -27.883 -1.433 17.907 1.00 13.22 C ATOM 717 CD GLN A 54 -28.144 -1.030 19.344 1.00 1.22 C ATOM 718 OE1 GLN A 54 -28.001 -1.838 20.264 1.00 61.34 O ATOM 719 NE2 GLN A 54 -28.530 0.224 19.548 1.00 32.44 N ATOM 0 H GLN A 54 -24.922 -0.069 15.750 1.00 34.32 H new ATOM 0 HA GLN A 54 -27.376 -1.426 15.348 1.00 54.53 H new ATOM 0 HB2 GLN A 54 -25.841 -0.963 17.478 1.00 24.23 H new ATOM 0 HB3 GLN A 54 -26.878 0.438 17.657 1.00 24.23 H new ATOM 0 HG2 GLN A 54 -28.812 -1.368 17.341 1.00 13.22 H new ATOM 0 HG3 GLN A 54 -27.564 -2.475 17.878 1.00 13.22 H new ATOM 0 HE21 GLN A 54 -28.636 0.860 18.758 1.00 32.44 H new ATOM 0 HE22 GLN A 54 -28.721 0.551 20.495 1.00 32.44 H new ATOM 726 N GLY A 55 -27.463 1.869 15.383 1.00 44.23 N ATOM 727 CA GLY A 55 -28.304 3.005 15.052 1.00 42.25 C ATOM 728 C GLY A 55 -28.231 3.373 13.583 1.00 11.12 C ATOM 729 O GLY A 55 -29.063 4.129 13.082 1.00 42.53 O ATOM 0 H GLY A 55 -26.502 2.105 15.631 1.00 44.23 H new ATOM 0 HA2 GLY A 55 -29.337 2.777 15.315 1.00 42.25 H new ATOM 0 HA3 GLY A 55 -28.004 3.863 15.654 1.00 42.25 H new ATOM 732 N VAL A 56 -27.229 2.839 12.891 1.00 40.25 N ATOM 733 CA VAL A 56 -27.049 3.116 11.470 1.00 21.22 C ATOM 734 C VAL A 56 -27.800 2.104 10.613 1.00 51.55 C ATOM 735 O VAL A 56 -28.611 2.474 9.763 1.00 33.11 O ATOM 736 CB VAL A 56 -25.559 3.098 11.080 1.00 54.21 C ATOM 737 CG1 VAL A 56 -25.388 2.603 9.651 1.00 25.42 C ATOM 738 CG2 VAL A 56 -24.946 4.478 11.254 1.00 64.33 C ATOM 0 H VAL A 56 -26.530 2.213 13.291 1.00 40.25 H new ATOM 0 HA VAL A 56 -27.453 4.112 11.288 1.00 21.22 H new ATOM 0 HB VAL A 56 -25.035 2.409 11.742 1.00 54.21 H new ATOM 0 HG11 VAL A 56 -24.329 2.597 9.392 1.00 25.42 H new ATOM 0 HG12 VAL A 56 -25.788 1.593 9.566 1.00 25.42 H new ATOM 0 HG13 VAL A 56 -25.924 3.264 8.970 1.00 25.42 H new ATOM 0 HG21 VAL A 56 -23.893 4.446 10.974 1.00 64.33 H new ATOM 0 HG22 VAL A 56 -25.470 5.192 10.618 1.00 64.33 H new ATOM 0 HG23 VAL A 56 -25.035 4.787 12.295 1.00 64.33 H new ATOM 748 N HIS A 57 -27.528 0.823 10.843 1.00 2.34 N ATOM 749 CA HIS A 57 -28.180 -0.244 10.093 1.00 53.21 C ATOM 750 C HIS A 57 -29.697 -0.131 10.194 1.00 43.41 C ATOM 751 O HIS A 57 -30.421 -0.510 9.272 1.00 1.54 O ATOM 752 CB HIS A 57 -27.724 -1.610 10.606 1.00 32.25 C ATOM 753 CG HIS A 57 -28.285 -2.761 9.829 1.00 2.21 C ATOM 754 ND1 HIS A 57 -27.516 -3.570 9.022 1.00 75.43 N ATOM 755 CD2 HIS A 57 -29.550 -3.236 9.742 1.00 72.02 C ATOM 756 CE1 HIS A 57 -28.283 -4.493 8.468 1.00 0.23 C ATOM 757 NE2 HIS A 57 -29.521 -4.312 8.890 1.00 15.53 N ATOM 0 H HIS A 57 -26.860 0.499 11.543 1.00 2.34 H new ATOM 0 HA HIS A 57 -27.895 -0.144 9.046 1.00 53.21 H new ATOM 0 HB2 HIS A 57 -26.635 -1.656 10.573 1.00 32.25 H new ATOM 0 HB3 HIS A 57 -28.015 -1.712 11.651 1.00 32.25 H new ATOM 0 HD2 HIS A 57 -30.419 -2.842 10.248 1.00 72.02 H new ATOM 0 HE1 HIS A 57 -27.953 -5.263 7.787 1.00 0.23 H new ATOM 0 HE2 HIS A 57 -30.326 -4.880 8.626 1.00 15.53 H new ATOM 764 N ASP A 58 -30.173 0.393 11.318 1.00 1.24 N ATOM 765 CA ASP A 58 -31.605 0.556 11.540 1.00 42.01 C ATOM 766 C ASP A 58 -32.118 1.827 10.869 1.00 23.34 C ATOM 767 O ASP A 58 -33.305 1.947 10.568 1.00 62.30 O ATOM 768 CB ASP A 58 -31.910 0.598 13.038 1.00 22.20 C ATOM 769 CG ASP A 58 -32.117 -0.784 13.625 1.00 75.21 C ATOM 770 OD1 ASP A 58 -32.608 -1.672 12.896 1.00 25.31 O ATOM 771 OD2 ASP A 58 -31.788 -0.979 14.814 1.00 71.30 O ATOM 0 H ASP A 58 -29.588 0.712 12.090 1.00 1.24 H new ATOM 0 HA ASP A 58 -32.115 -0.299 11.097 1.00 42.01 H new ATOM 0 HB2 ASP A 58 -31.090 1.092 13.559 1.00 22.20 H new ATOM 0 HB3 ASP A 58 -32.803 1.199 13.207 1.00 22.20 H new ATOM 775 N SER A 59 -31.214 2.774 10.639 1.00 60.20 N ATOM 776 CA SER A 59 -31.575 4.038 10.008 1.00 70.52 C ATOM 777 C SER A 59 -31.564 3.909 8.487 1.00 41.41 C ATOM 778 O SER A 59 -32.247 4.655 7.786 1.00 71.52 O ATOM 779 CB SER A 59 -30.610 5.144 10.444 1.00 71.24 C ATOM 780 OG SER A 59 -30.544 6.174 9.472 1.00 32.45 O ATOM 0 H SER A 59 -30.226 2.690 10.880 1.00 60.20 H new ATOM 0 HA SER A 59 -32.584 4.299 10.326 1.00 70.52 H new ATOM 0 HB2 SER A 59 -30.935 5.560 11.398 1.00 71.24 H new ATOM 0 HB3 SER A 59 -29.617 4.724 10.601 1.00 71.24 H new ATOM 0 HG SER A 59 -29.923 6.869 9.774 1.00 32.45 H new ATOM 785 N ALA A 60 -30.785 2.957 7.986 1.00 53.11 N ATOM 786 CA ALA A 60 -30.686 2.728 6.550 1.00 42.23 C ATOM 787 C ALA A 60 -31.725 1.713 6.083 1.00 1.43 C ATOM 788 O ALA A 60 -31.681 1.245 4.947 1.00 61.43 O ATOM 789 CB ALA A 60 -29.286 2.259 6.185 1.00 12.01 C ATOM 0 H ALA A 60 -30.213 2.331 8.553 1.00 53.11 H new ATOM 0 HA ALA A 60 -30.884 3.672 6.042 1.00 42.23 H new ATOM 0 HB1 ALA A 60 -29.227 2.092 5.109 1.00 12.01 H new ATOM 0 HB2 ALA A 60 -28.561 3.019 6.474 1.00 12.01 H new ATOM 0 HB3 ALA A 60 -29.066 1.329 6.709 1.00 12.01 H new ATOM 795 N GLU A 61 -32.658 1.377 6.970 1.00 13.03 N ATOM 796 CA GLU A 61 -33.706 0.416 6.648 1.00 22.11 C ATOM 797 C GLU A 61 -34.416 0.799 5.353 1.00 33.11 C ATOM 798 O GLU A 61 -34.911 -0.062 4.624 1.00 30.04 O ATOM 799 CB GLU A 61 -34.718 0.330 7.791 1.00 42.10 C ATOM 800 CG GLU A 61 -35.787 -0.729 7.580 1.00 12.14 C ATOM 801 CD GLU A 61 -35.390 -2.079 8.146 1.00 41.01 C ATOM 802 OE1 GLU A 61 -35.163 -2.165 9.371 1.00 65.23 O ATOM 803 OE2 GLU A 61 -35.306 -3.049 7.363 1.00 15.13 O ATOM 0 H GLU A 61 -32.709 1.756 7.916 1.00 13.03 H new ATOM 0 HA GLU A 61 -33.239 -0.560 6.511 1.00 22.11 H new ATOM 0 HB2 GLU A 61 -34.187 0.119 8.719 1.00 42.10 H new ATOM 0 HB3 GLU A 61 -35.199 1.300 7.913 1.00 42.10 H new ATOM 0 HG2 GLU A 61 -36.715 -0.401 8.048 1.00 12.14 H new ATOM 0 HG3 GLU A 61 -35.987 -0.831 6.513 1.00 12.14 H new ATOM 808 N LYS A 62 -34.463 2.097 5.072 1.00 52.13 N ATOM 809 CA LYS A 62 -35.111 2.597 3.865 1.00 55.20 C ATOM 810 C LYS A 62 -34.164 2.528 2.672 1.00 64.32 C ATOM 811 O LYS A 62 -34.586 2.264 1.546 1.00 12.33 O ATOM 812 CB LYS A 62 -35.583 4.037 4.075 1.00 63.44 C ATOM 813 CG LYS A 62 -36.957 4.140 4.714 1.00 31.15 C ATOM 814 CD LYS A 62 -37.624 5.467 4.392 1.00 12.12 C ATOM 815 CE LYS A 62 -37.244 6.541 5.399 1.00 14.54 C ATOM 816 NZ LYS A 62 -38.242 6.645 6.501 1.00 21.45 N ATOM 0 H LYS A 62 -34.059 2.823 5.665 1.00 52.13 H new ATOM 0 HA LYS A 62 -35.975 1.966 3.657 1.00 55.20 H new ATOM 0 HB2 LYS A 62 -34.860 4.560 4.702 1.00 63.44 H new ATOM 0 HB3 LYS A 62 -35.600 4.549 3.113 1.00 63.44 H new ATOM 0 HG2 LYS A 62 -37.585 3.321 4.362 1.00 31.15 H new ATOM 0 HG3 LYS A 62 -36.866 4.030 5.795 1.00 31.15 H new ATOM 0 HD2 LYS A 62 -37.335 5.787 3.391 1.00 12.12 H new ATOM 0 HD3 LYS A 62 -38.706 5.339 4.386 1.00 12.12 H new ATOM 0 HE2 LYS A 62 -36.263 6.316 5.817 1.00 14.54 H new ATOM 0 HE3 LYS A 62 -37.161 7.502 4.892 1.00 14.54 H new ATOM 0 HZ1 LYS A 62 -37.948 7.388 7.167 1.00 21.45 H new ATOM 0 HZ2 LYS A 62 -39.173 6.884 6.105 1.00 21.45 H new ATOM 0 HZ3 LYS A 62 -38.302 5.735 7.002 1.00 21.45 H new ATOM 826 N GLY A 63 -32.881 2.768 2.924 1.00 11.04 N ATOM 827 CA GLY A 63 -31.895 2.728 1.861 1.00 33.23 C ATOM 828 C GLY A 63 -31.211 1.379 1.754 1.00 4.13 C ATOM 829 O GLY A 63 -30.147 1.260 1.145 1.00 14.45 O ATOM 0 H GLY A 63 -32.507 2.990 3.847 1.00 11.04 H new ATOM 0 HA2 GLY A 63 -32.378 2.963 0.913 1.00 33.23 H new ATOM 0 HA3 GLY A 63 -31.145 3.499 2.036 1.00 33.23 H new ATOM 832 N LYS A 64 -31.821 0.360 2.349 1.00 25.12 N ATOM 833 CA LYS A 64 -31.265 -0.987 2.320 1.00 52.31 C ATOM 834 C LYS A 64 -31.888 -1.808 1.194 1.00 34.25 C ATOM 835 O LYS A 64 -31.903 -3.038 1.246 1.00 12.25 O ATOM 836 CB LYS A 64 -31.496 -1.685 3.662 1.00 74.22 C ATOM 837 CG LYS A 64 -30.581 -2.876 3.894 1.00 71.51 C ATOM 838 CD LYS A 64 -29.258 -2.451 4.507 1.00 31.13 C ATOM 839 CE LYS A 64 -29.437 -1.971 5.939 1.00 34.34 C ATOM 840 NZ LYS A 64 -28.130 -1.785 6.629 1.00 53.01 N ATOM 0 H LYS A 64 -32.701 0.442 2.858 1.00 25.12 H new ATOM 0 HA LYS A 64 -30.193 -0.907 2.139 1.00 52.31 H new ATOM 0 HB2 LYS A 64 -31.351 -0.964 4.467 1.00 74.22 H new ATOM 0 HB3 LYS A 64 -32.533 -2.018 3.715 1.00 74.22 H new ATOM 0 HG2 LYS A 64 -31.074 -3.592 4.551 1.00 71.51 H new ATOM 0 HG3 LYS A 64 -30.398 -3.385 2.948 1.00 71.51 H new ATOM 0 HD2 LYS A 64 -28.561 -3.289 4.487 1.00 31.13 H new ATOM 0 HD3 LYS A 64 -28.817 -1.655 3.907 1.00 31.13 H new ATOM 0 HE2 LYS A 64 -29.986 -1.029 5.940 1.00 34.34 H new ATOM 0 HE3 LYS A 64 -30.040 -2.692 6.491 1.00 34.34 H new ATOM 0 HZ1 LYS A 64 -28.293 -1.425 7.591 1.00 53.01 H new ATOM 0 HZ2 LYS A 64 -27.632 -2.696 6.680 1.00 53.01 H new ATOM 0 HZ3 LYS A 64 -27.551 -1.103 6.098 1.00 53.01 H new ATOM 850 N ASP A 65 -32.398 -1.120 0.179 1.00 15.33 N ATOM 851 CA ASP A 65 -33.019 -1.786 -0.960 1.00 73.14 C ATOM 852 C ASP A 65 -32.158 -1.639 -2.211 1.00 35.01 C ATOM 853 O ASP A 65 -32.611 -1.906 -3.323 1.00 55.44 O ATOM 854 CB ASP A 65 -34.413 -1.212 -1.215 1.00 24.22 C ATOM 855 CG ASP A 65 -35.271 -2.132 -2.061 1.00 43.22 C ATOM 856 OD1 ASP A 65 -35.203 -3.362 -1.858 1.00 21.13 O ATOM 857 OD2 ASP A 65 -36.013 -1.621 -2.926 1.00 62.52 O ATOM 0 H ASP A 65 -32.394 -0.102 0.121 1.00 15.33 H new ATOM 0 HA ASP A 65 -33.109 -2.847 -0.725 1.00 73.14 H new ATOM 0 HB2 ASP A 65 -34.909 -1.032 -0.261 1.00 24.22 H new ATOM 0 HB3 ASP A 65 -34.320 -0.247 -1.713 1.00 24.22 H new ATOM 861 N ASN A 66 -30.914 -1.212 -2.020 1.00 21.55 N ATOM 862 CA ASN A 66 -29.990 -1.027 -3.133 1.00 31.42 C ATOM 863 C ASN A 66 -29.993 -2.247 -4.049 1.00 32.33 C ATOM 864 O ASN A 66 -29.685 -2.144 -5.237 1.00 30.22 O ATOM 865 CB ASN A 66 -28.575 -0.769 -2.611 1.00 55.32 C ATOM 866 CG ASN A 66 -28.368 -1.312 -1.209 1.00 24.41 C ATOM 867 OD1 ASN A 66 -28.644 -2.597 -1.026 1.00 71.20 O flip ATOM 868 ND2 ASN A 66 -27.966 -0.582 -0.303 1.00 13.24 N flip ATOM 0 H ASN A 66 -30.523 -0.988 -1.105 1.00 21.55 H new ATOM 0 HA ASN A 66 -30.320 -0.162 -3.708 1.00 31.42 H new ATOM 0 HB2 ASN A 66 -27.852 -1.228 -3.286 1.00 55.32 H new ATOM 0 HB3 ASN A 66 -28.379 0.303 -2.615 1.00 55.32 H new ATOM 0 HD21 ASN A 66 -27.766 0.401 -0.490 1.00 13.24 H new ATOM 0 HD22 ASN A 66 -27.832 -0.960 0.635 1.00 13.24 H new ATOM 874 N ALA A 67 -30.342 -3.400 -3.490 1.00 15.21 N ATOM 875 CA ALA A 67 -30.387 -4.638 -4.256 1.00 53.13 C ATOM 876 C ALA A 67 -31.212 -4.468 -5.527 1.00 10.41 C ATOM 877 O ALA A 67 -30.965 -5.134 -6.533 1.00 2.15 O ATOM 878 CB ALA A 67 -30.952 -5.766 -3.405 1.00 52.31 C ATOM 0 H ALA A 67 -30.598 -3.502 -2.508 1.00 15.21 H new ATOM 0 HA ALA A 67 -29.368 -4.893 -4.547 1.00 53.13 H new ATOM 0 HB1 ALA A 67 -30.980 -6.685 -3.991 1.00 52.31 H new ATOM 0 HB2 ALA A 67 -30.320 -5.913 -2.529 1.00 52.31 H new ATOM 0 HB3 ALA A 67 -31.962 -5.509 -3.085 1.00 52.31 H new ATOM 884 N GLU A 68 -32.194 -3.573 -5.474 1.00 61.44 N ATOM 885 CA GLU A 68 -33.056 -3.317 -6.622 1.00 2.53 C ATOM 886 C GLU A 68 -32.478 -2.210 -7.500 1.00 44.54 C ATOM 887 O GLU A 68 -31.924 -1.232 -7.001 1.00 22.01 O ATOM 888 CB GLU A 68 -34.461 -2.932 -6.155 1.00 62.05 C ATOM 889 CG GLU A 68 -35.508 -3.001 -7.256 1.00 13.13 C ATOM 890 CD GLU A 68 -35.976 -4.418 -7.526 1.00 62.23 C ATOM 891 OE1 GLU A 68 -36.478 -5.066 -6.584 1.00 75.31 O ATOM 892 OE2 GLU A 68 -35.841 -4.878 -8.679 1.00 32.12 O ATOM 0 H GLU A 68 -32.412 -3.014 -4.649 1.00 61.44 H new ATOM 0 HA GLU A 68 -33.115 -4.231 -7.212 1.00 2.53 H new ATOM 0 HB2 GLU A 68 -34.758 -3.593 -5.341 1.00 62.05 H new ATOM 0 HB3 GLU A 68 -34.436 -1.920 -5.751 1.00 62.05 H new ATOM 0 HG2 GLU A 68 -36.364 -2.386 -6.978 1.00 13.13 H new ATOM 0 HG3 GLU A 68 -35.096 -2.578 -8.172 1.00 13.13 H new ATOM 897 N GLY A 69 -32.613 -2.374 -8.812 1.00 71.44 N ATOM 898 CA GLY A 69 -32.100 -1.383 -9.740 1.00 21.42 C ATOM 899 C GLY A 69 -31.309 -2.004 -10.873 1.00 71.54 C ATOM 900 O GLY A 69 -31.356 -1.525 -12.007 1.00 15.44 O ATOM 0 H GLY A 69 -33.068 -3.175 -9.249 1.00 71.44 H new ATOM 0 HA2 GLY A 69 -32.931 -0.811 -10.152 1.00 21.42 H new ATOM 0 HA3 GLY A 69 -31.465 -0.679 -9.201 1.00 21.42 H new ATOM 903 N GLN A 70 -30.578 -3.071 -10.567 1.00 20.21 N ATOM 904 CA GLN A 70 -29.771 -3.757 -11.570 1.00 53.32 C ATOM 905 C GLN A 70 -30.608 -4.109 -12.795 1.00 14.24 C ATOM 906 O GLN A 70 -31.836 -4.142 -12.732 1.00 0.25 O ATOM 907 CB GLN A 70 -29.154 -5.025 -10.978 1.00 30.14 C ATOM 908 CG GLN A 70 -30.162 -6.136 -10.734 1.00 2.22 C ATOM 909 CD GLN A 70 -29.699 -7.125 -9.682 1.00 34.22 C ATOM 910 OE1 GLN A 70 -28.835 -6.815 -8.860 1.00 52.33 O ATOM 911 NE2 GLN A 70 -30.270 -8.323 -9.702 1.00 65.24 N ATOM 0 H GLN A 70 -30.528 -3.479 -9.634 1.00 20.21 H new ATOM 0 HA GLN A 70 -28.972 -3.083 -11.880 1.00 53.32 H new ATOM 0 HB2 GLN A 70 -28.379 -5.391 -11.652 1.00 30.14 H new ATOM 0 HB3 GLN A 70 -28.666 -4.776 -10.036 1.00 30.14 H new ATOM 0 HG2 GLN A 70 -31.111 -5.699 -10.423 1.00 2.22 H new ATOM 0 HG3 GLN A 70 -30.346 -6.666 -11.669 1.00 2.22 H new ATOM 0 HE21 GLN A 70 -30.982 -8.537 -10.401 1.00 65.24 H new ATOM 0 HE22 GLN A 70 -29.997 -9.029 -9.019 1.00 65.24 H new ATOM 918 N GLY A 71 -29.934 -4.371 -13.911 1.00 53.31 N ATOM 919 CA GLY A 71 -30.632 -4.717 -15.135 1.00 21.42 C ATOM 920 C GLY A 71 -29.685 -4.976 -16.290 1.00 11.04 C ATOM 921 O GLY A 71 -29.606 -6.094 -16.796 1.00 52.04 O ATOM 0 H GLY A 71 -28.917 -4.350 -13.989 1.00 53.31 H new ATOM 0 HA2 GLY A 71 -31.242 -5.604 -14.963 1.00 21.42 H new ATOM 0 HA3 GLY A 71 -31.313 -3.909 -15.402 1.00 21.42 H new ATOM 924 N GLU A 72 -28.964 -3.939 -16.707 1.00 10.40 N ATOM 925 CA GLU A 72 -28.019 -4.061 -17.811 1.00 0.51 C ATOM 926 C GLU A 72 -26.591 -4.196 -17.292 1.00 22.33 C ATOM 927 O GLU A 72 -25.762 -4.877 -17.895 1.00 14.34 O ATOM 928 CB GLU A 72 -28.125 -2.849 -18.737 1.00 63.44 C ATOM 929 CG GLU A 72 -29.358 -2.865 -19.624 1.00 41.30 C ATOM 930 CD GLU A 72 -29.451 -4.120 -20.470 1.00 50.31 C ATOM 931 OE1 GLU A 72 -28.398 -4.737 -20.733 1.00 51.32 O ATOM 932 OE2 GLU A 72 -30.577 -4.485 -20.870 1.00 3.13 O ATOM 0 H GLU A 72 -29.016 -3.006 -16.297 1.00 10.40 H new ATOM 0 HA GLU A 72 -28.269 -4.961 -18.373 1.00 0.51 H new ATOM 0 HB2 GLU A 72 -28.134 -1.941 -18.134 1.00 63.44 H new ATOM 0 HB3 GLU A 72 -27.236 -2.805 -19.366 1.00 63.44 H new ATOM 0 HG2 GLU A 72 -30.250 -2.783 -19.002 1.00 41.30 H new ATOM 0 HG3 GLU A 72 -29.343 -1.992 -20.276 1.00 41.30 H new ATOM 937 N SER A 73 -26.310 -3.541 -16.169 1.00 45.31 N ATOM 938 CA SER A 73 -24.982 -3.583 -15.570 1.00 62.04 C ATOM 939 C SER A 73 -24.800 -2.444 -14.571 1.00 74.33 C ATOM 940 O SER A 73 -25.246 -1.321 -14.805 1.00 63.12 O ATOM 941 CB SER A 73 -23.907 -3.502 -16.656 1.00 61.14 C ATOM 942 OG SER A 73 -22.741 -2.859 -16.172 1.00 22.31 O ATOM 0 H SER A 73 -26.986 -2.975 -15.656 1.00 45.31 H new ATOM 0 HA SER A 73 -24.880 -4.529 -15.038 1.00 62.04 H new ATOM 0 HB2 SER A 73 -23.657 -4.506 -17.000 1.00 61.14 H new ATOM 0 HB3 SER A 73 -24.295 -2.958 -17.517 1.00 61.14 H new ATOM 0 HG SER A 73 -22.069 -2.821 -16.884 1.00 22.31 H new ATOM 947 N LEU A 74 -24.141 -2.744 -13.458 1.00 25.15 N ATOM 948 CA LEU A 74 -23.898 -1.746 -12.422 1.00 11.24 C ATOM 949 C LEU A 74 -22.806 -0.771 -12.848 1.00 35.52 C ATOM 950 O LEU A 74 -22.764 0.370 -12.390 1.00 73.14 O ATOM 951 CB LEU A 74 -23.505 -2.428 -11.111 1.00 13.04 C ATOM 952 CG LEU A 74 -24.412 -2.153 -9.910 1.00 65.52 C ATOM 953 CD1 LEU A 74 -23.816 -2.745 -8.643 1.00 61.24 C ATOM 954 CD2 LEU A 74 -24.639 -0.656 -9.747 1.00 72.22 C ATOM 0 H LEU A 74 -23.765 -3.669 -13.249 1.00 25.15 H new ATOM 0 HA LEU A 74 -24.820 -1.185 -12.271 1.00 11.24 H new ATOM 0 HB2 LEU A 74 -23.476 -3.504 -11.280 1.00 13.04 H new ATOM 0 HB3 LEU A 74 -22.492 -2.119 -10.854 1.00 13.04 H new ATOM 0 HG LEU A 74 -25.376 -2.630 -10.089 1.00 65.52 H new ATOM 0 HD11 LEU A 74 -24.475 -2.539 -7.800 1.00 61.24 H new ATOM 0 HD12 LEU A 74 -23.705 -3.823 -8.762 1.00 61.24 H new ATOM 0 HD13 LEU A 74 -22.839 -2.298 -8.457 1.00 61.24 H new ATOM 0 HD21 LEU A 74 -25.286 -0.478 -8.888 1.00 72.22 H new ATOM 0 HD22 LEU A 74 -23.682 -0.158 -9.590 1.00 72.22 H new ATOM 0 HD23 LEU A 74 -25.111 -0.260 -10.646 1.00 72.22 H new ATOM 965 N ALA A 75 -21.923 -1.229 -13.730 1.00 54.24 N ATOM 966 CA ALA A 75 -20.832 -0.397 -14.223 1.00 60.14 C ATOM 967 C ALA A 75 -21.303 0.513 -15.353 1.00 54.24 C ATOM 968 O ALA A 75 -20.801 1.625 -15.517 1.00 13.30 O ATOM 969 CB ALA A 75 -19.675 -1.268 -14.691 1.00 5.13 C ATOM 0 H ALA A 75 -21.942 -2.172 -14.118 1.00 54.24 H new ATOM 0 HA ALA A 75 -20.489 0.234 -13.403 1.00 60.14 H new ATOM 0 HB1 ALA A 75 -18.867 -0.634 -15.057 1.00 5.13 H new ATOM 0 HB2 ALA A 75 -19.314 -1.872 -13.858 1.00 5.13 H new ATOM 0 HB3 ALA A 75 -20.014 -1.923 -15.494 1.00 5.13 H new ATOM 975 N ASP A 76 -22.269 0.033 -16.128 1.00 51.45 N ATOM 976 CA ASP A 76 -22.808 0.804 -17.243 1.00 21.01 C ATOM 977 C ASP A 76 -23.353 2.145 -16.763 1.00 44.34 C ATOM 978 O ASP A 76 -23.166 3.171 -17.416 1.00 52.32 O ATOM 979 CB ASP A 76 -23.911 0.015 -17.951 1.00 72.32 C ATOM 980 CG ASP A 76 -23.943 0.277 -19.444 1.00 3.24 C ATOM 981 OD1 ASP A 76 -23.037 -0.211 -20.152 1.00 10.40 O ATOM 982 OD2 ASP A 76 -24.873 0.972 -19.904 1.00 54.33 O ATOM 0 H ASP A 76 -22.695 -0.886 -16.005 1.00 51.45 H new ATOM 0 HA ASP A 76 -21.998 0.992 -17.947 1.00 21.01 H new ATOM 0 HB2 ASP A 76 -23.762 -1.050 -17.775 1.00 72.32 H new ATOM 0 HB3 ASP A 76 -24.876 0.277 -17.518 1.00 72.32 H new ATOM 986 N GLN A 77 -24.029 2.127 -15.618 1.00 61.20 N ATOM 987 CA GLN A 77 -24.603 3.343 -15.052 1.00 54.23 C ATOM 988 C GLN A 77 -23.552 4.133 -14.280 1.00 33.32 C ATOM 989 O GLN A 77 -23.522 5.362 -14.332 1.00 42.22 O ATOM 990 CB GLN A 77 -25.775 2.998 -14.133 1.00 40.35 C ATOM 991 CG GLN A 77 -25.356 2.667 -12.710 1.00 53.43 C ATOM 992 CD GLN A 77 -26.525 2.250 -11.838 1.00 61.05 C ATOM 993 OE1 GLN A 77 -26.759 2.828 -10.776 1.00 73.34 O ATOM 994 NE2 GLN A 77 -27.267 1.243 -12.284 1.00 13.53 N ATOM 0 H GLN A 77 -24.192 1.286 -15.065 1.00 61.20 H new ATOM 0 HA GLN A 77 -24.964 3.961 -15.874 1.00 54.23 H new ATOM 0 HB2 GLN A 77 -26.469 3.838 -14.112 1.00 40.35 H new ATOM 0 HB3 GLN A 77 -26.315 2.148 -14.551 1.00 40.35 H new ATOM 0 HG2 GLN A 77 -24.618 1.865 -12.730 1.00 53.43 H new ATOM 0 HG3 GLN A 77 -24.870 3.536 -12.267 1.00 53.43 H new ATOM 0 HE21 GLN A 77 -27.037 0.793 -13.170 1.00 13.53 H new ATOM 0 HE22 GLN A 77 -28.067 0.920 -11.741 1.00 13.53 H new ATOM 1001 N ALA A 78 -22.690 3.418 -13.564 1.00 4.31 N ATOM 1002 CA ALA A 78 -21.636 4.053 -12.781 1.00 74.41 C ATOM 1003 C ALA A 78 -20.978 5.185 -13.563 1.00 65.42 C ATOM 1004 O ALA A 78 -20.559 6.189 -12.987 1.00 30.04 O ATOM 1005 CB ALA A 78 -20.596 3.024 -12.364 1.00 60.43 C ATOM 0 H ALA A 78 -22.701 2.399 -13.510 1.00 4.31 H new ATOM 0 HA ALA A 78 -22.089 4.479 -11.886 1.00 74.41 H new ATOM 0 HB1 ALA A 78 -19.815 3.512 -11.780 1.00 60.43 H new ATOM 0 HB2 ALA A 78 -21.071 2.251 -11.760 1.00 60.43 H new ATOM 0 HB3 ALA A 78 -20.156 2.571 -13.252 1.00 60.43 H new ATOM 1011 N ARG A 79 -20.891 5.016 -14.879 1.00 22.34 N ATOM 1012 CA ARG A 79 -20.283 6.024 -15.739 1.00 22.50 C ATOM 1013 C ARG A 79 -21.234 7.197 -15.960 1.00 74.20 C ATOM 1014 O ARG A 79 -20.924 8.335 -15.607 1.00 0.31 O ATOM 1015 CB ARG A 79 -19.893 5.409 -17.085 1.00 51.35 C ATOM 1016 CG ARG A 79 -18.938 4.232 -16.964 1.00 3.25 C ATOM 1017 CD ARG A 79 -18.647 3.609 -18.320 1.00 2.44 C ATOM 1018 NE ARG A 79 -17.848 2.393 -18.203 1.00 11.24 N ATOM 1019 CZ ARG A 79 -17.310 1.764 -19.242 1.00 12.11 C ATOM 1020 NH1 ARG A 79 -17.484 2.234 -20.468 1.00 61.44 N ATOM 1021 NH2 ARG A 79 -16.596 0.661 -19.054 1.00 21.22 N ATOM 0 H ARG A 79 -21.234 4.191 -15.372 1.00 22.34 H new ATOM 0 HA ARG A 79 -19.386 6.395 -15.243 1.00 22.50 H new ATOM 0 HB2 ARG A 79 -20.796 5.082 -17.600 1.00 51.35 H new ATOM 0 HB3 ARG A 79 -19.432 6.177 -17.706 1.00 51.35 H new ATOM 0 HG2 ARG A 79 -18.006 4.564 -16.507 1.00 3.25 H new ATOM 0 HG3 ARG A 79 -19.367 3.480 -16.302 1.00 3.25 H new ATOM 0 HD2 ARG A 79 -19.587 3.378 -18.822 1.00 2.44 H new ATOM 0 HD3 ARG A 79 -18.120 4.330 -18.945 1.00 2.44 H new ATOM 0 HE ARG A 79 -17.694 2.005 -17.272 1.00 11.24 H new ATOM 0 HH11 ARG A 79 -18.032 3.081 -20.616 1.00 61.44 H new ATOM 0 HH12 ARG A 79 -17.070 1.749 -21.264 1.00 61.44 H new ATOM 0 HH21 ARG A 79 -16.460 0.296 -18.111 1.00 21.22 H new ATOM 0 HH22 ARG A 79 -16.183 0.178 -19.852 1.00 21.22 H new ATOM 1032 N ASP A 80 -22.390 6.911 -16.547 1.00 61.53 N ATOM 1033 CA ASP A 80 -23.387 7.942 -16.816 1.00 13.42 C ATOM 1034 C ASP A 80 -24.098 8.356 -15.531 1.00 0.22 C ATOM 1035 O ASP A 80 -24.158 9.540 -15.197 1.00 75.10 O ATOM 1036 CB ASP A 80 -24.407 7.441 -17.839 1.00 64.33 C ATOM 1037 CG ASP A 80 -23.878 7.497 -19.258 1.00 65.42 C ATOM 1038 OD1 ASP A 80 -23.644 8.617 -19.761 1.00 41.33 O ATOM 1039 OD2 ASP A 80 -23.696 6.423 -19.867 1.00 55.21 O ATOM 0 H ASP A 80 -22.661 5.974 -16.846 1.00 61.53 H new ATOM 0 HA ASP A 80 -22.874 8.813 -17.224 1.00 13.42 H new ATOM 0 HB2 ASP A 80 -24.685 6.415 -17.598 1.00 64.33 H new ATOM 0 HB3 ASP A 80 -25.314 8.042 -17.768 1.00 64.33 H new ATOM 1043 N TYR A 81 -24.637 7.375 -14.816 1.00 13.23 N ATOM 1044 CA TYR A 81 -25.348 7.638 -13.570 1.00 31.25 C ATOM 1045 C TYR A 81 -24.600 8.664 -12.723 1.00 5.41 C ATOM 1046 O TYR A 81 -25.096 9.764 -12.482 1.00 30.04 O ATOM 1047 CB TYR A 81 -25.530 6.342 -12.779 1.00 32.42 C ATOM 1048 CG TYR A 81 -26.696 6.378 -11.819 1.00 2.41 C ATOM 1049 CD1 TYR A 81 -27.934 6.868 -12.217 1.00 1.14 C ATOM 1050 CD2 TYR A 81 -26.562 5.922 -10.513 1.00 42.41 C ATOM 1051 CE1 TYR A 81 -29.004 6.903 -11.343 1.00 72.22 C ATOM 1052 CE2 TYR A 81 -27.626 5.952 -9.633 1.00 64.41 C ATOM 1053 CZ TYR A 81 -28.845 6.444 -10.053 1.00 15.13 C ATOM 1054 OH TYR A 81 -29.907 6.477 -9.178 1.00 42.13 O ATOM 0 H TYR A 81 -24.595 6.390 -15.078 1.00 13.23 H new ATOM 0 HA TYR A 81 -26.328 8.044 -13.819 1.00 31.25 H new ATOM 0 HB2 TYR A 81 -25.670 5.517 -13.477 1.00 32.42 H new ATOM 0 HB3 TYR A 81 -24.617 6.136 -12.221 1.00 32.42 H new ATOM 0 HD1 TYR A 81 -28.062 7.228 -13.227 1.00 1.14 H new ATOM 0 HD2 TYR A 81 -25.609 5.537 -10.180 1.00 42.41 H new ATOM 0 HE1 TYR A 81 -29.959 7.288 -11.669 1.00 72.22 H new ATOM 0 HE2 TYR A 81 -27.505 5.592 -8.622 1.00 64.41 H new ATOM 0 HH TYR A 81 -29.628 6.116 -8.311 1.00 42.13 H new ATOM 1063 N MET A 82 -23.405 8.294 -12.276 1.00 61.11 N ATOM 1064 CA MET A 82 -22.587 9.182 -11.457 1.00 51.42 C ATOM 1065 C MET A 82 -22.540 10.584 -12.056 1.00 10.02 C ATOM 1066 O MET A 82 -22.514 11.578 -11.332 1.00 61.10 O ATOM 1067 CB MET A 82 -21.169 8.624 -11.322 1.00 22.33 C ATOM 1068 CG MET A 82 -20.258 8.994 -12.481 1.00 20.33 C ATOM 1069 SD MET A 82 -18.567 8.412 -12.249 1.00 55.31 S ATOM 1070 CE MET A 82 -17.690 9.966 -12.105 1.00 32.12 C ATOM 0 H MET A 82 -22.981 7.386 -12.467 1.00 61.11 H new ATOM 0 HA MET A 82 -23.041 9.244 -10.468 1.00 51.42 H new ATOM 0 HB2 MET A 82 -20.730 8.990 -10.394 1.00 22.33 H new ATOM 0 HB3 MET A 82 -21.221 7.538 -11.243 1.00 22.33 H new ATOM 0 HG2 MET A 82 -20.660 8.573 -13.403 1.00 20.33 H new ATOM 0 HG3 MET A 82 -20.252 10.077 -12.602 1.00 20.33 H new ATOM 0 HE1 MET A 82 -16.628 9.772 -11.957 1.00 32.12 H new ATOM 0 HE2 MET A 82 -17.829 10.548 -13.016 1.00 32.12 H new ATOM 0 HE3 MET A 82 -18.079 10.526 -11.254 1.00 32.12 H new ATOM 1078 N GLY A 83 -22.529 10.656 -13.384 1.00 34.41 N ATOM 1079 CA GLY A 83 -22.484 11.940 -14.057 1.00 24.32 C ATOM 1080 C GLY A 83 -23.803 12.683 -13.977 1.00 24.21 C ATOM 1081 O GLY A 83 -23.868 13.790 -13.443 1.00 12.53 O ATOM 0 H GLY A 83 -22.550 9.847 -14.005 1.00 34.41 H new ATOM 0 HA2 GLY A 83 -21.698 12.552 -13.614 1.00 24.32 H new ATOM 0 HA3 GLY A 83 -22.218 11.789 -15.103 1.00 24.32 H new ATOM 1084 N ALA A 84 -24.857 12.074 -14.510 1.00 31.34 N ATOM 1085 CA ALA A 84 -26.180 12.685 -14.495 1.00 60.15 C ATOM 1086 C ALA A 84 -26.582 13.090 -13.083 1.00 4.52 C ATOM 1087 O ALA A 84 -27.445 13.948 -12.894 1.00 63.01 O ATOM 1088 CB ALA A 84 -27.209 11.730 -15.085 1.00 32.42 C ATOM 0 H ALA A 84 -24.820 11.158 -14.957 1.00 31.34 H new ATOM 0 HA ALA A 84 -26.143 13.587 -15.107 1.00 60.15 H new ATOM 0 HB1 ALA A 84 -28.193 12.199 -15.068 1.00 32.42 H new ATOM 0 HB2 ALA A 84 -26.938 11.493 -16.114 1.00 32.42 H new ATOM 0 HB3 ALA A 84 -27.234 10.813 -14.496 1.00 32.42 H new ATOM 1094 N ALA A 85 -25.952 12.469 -12.091 1.00 50.21 N ATOM 1095 CA ALA A 85 -26.243 12.767 -10.694 1.00 53.44 C ATOM 1096 C ALA A 85 -25.322 13.859 -10.162 1.00 65.03 C ATOM 1097 O ALA A 85 -25.735 15.007 -9.994 1.00 12.01 O ATOM 1098 CB ALA A 85 -26.117 11.509 -9.849 1.00 12.52 C ATOM 0 H ALA A 85 -25.236 11.756 -12.229 1.00 50.21 H new ATOM 0 HA ALA A 85 -27.268 13.132 -10.632 1.00 53.44 H new ATOM 0 HB1 ALA A 85 -26.337 11.746 -8.808 1.00 12.52 H new ATOM 0 HB2 ALA A 85 -26.822 10.758 -10.207 1.00 12.52 H new ATOM 0 HB3 ALA A 85 -25.102 11.119 -9.926 1.00 12.52 H new ATOM 1104 N LYS A 86 -24.072 13.495 -9.897 1.00 52.34 N ATOM 1105 CA LYS A 86 -23.091 14.443 -9.384 1.00 64.11 C ATOM 1106 C LYS A 86 -23.174 15.770 -10.131 1.00 63.44 C ATOM 1107 O LYS A 86 -22.885 16.828 -9.572 1.00 34.42 O ATOM 1108 CB LYS A 86 -21.679 13.865 -9.506 1.00 70.04 C ATOM 1109 CG LYS A 86 -20.625 14.672 -8.769 1.00 61.34 C ATOM 1110 CD LYS A 86 -19.707 15.404 -9.734 1.00 62.02 C ATOM 1111 CE LYS A 86 -18.355 15.700 -9.103 1.00 43.22 C ATOM 1112 NZ LYS A 86 -17.366 16.177 -10.108 1.00 55.52 N ATOM 0 H LYS A 86 -23.714 12.549 -10.029 1.00 52.34 H new ATOM 0 HA LYS A 86 -23.314 14.623 -8.332 1.00 64.11 H new ATOM 0 HB2 LYS A 86 -21.679 12.845 -9.121 1.00 70.04 H new ATOM 0 HB3 LYS A 86 -21.409 13.808 -10.560 1.00 70.04 H new ATOM 0 HG2 LYS A 86 -21.111 15.392 -8.111 1.00 61.34 H new ATOM 0 HG3 LYS A 86 -20.035 14.009 -8.136 1.00 61.34 H new ATOM 0 HD2 LYS A 86 -19.567 14.802 -10.632 1.00 62.02 H new ATOM 0 HD3 LYS A 86 -20.176 16.337 -10.046 1.00 62.02 H new ATOM 0 HE2 LYS A 86 -18.475 16.454 -8.325 1.00 43.22 H new ATOM 0 HE3 LYS A 86 -17.975 14.800 -8.619 1.00 43.22 H new ATOM 0 HZ1 LYS A 86 -16.458 16.368 -9.638 1.00 55.52 H new ATOM 0 HZ2 LYS A 86 -17.232 15.447 -10.837 1.00 55.52 H new ATOM 0 HZ3 LYS A 86 -17.716 17.050 -10.552 1.00 55.52 H new ATOM 1122 N SER A 87 -23.573 15.707 -11.398 1.00 51.01 N ATOM 1123 CA SER A 87 -23.692 16.904 -12.223 1.00 51.32 C ATOM 1124 C SER A 87 -25.039 17.585 -11.999 1.00 62.34 C ATOM 1125 O SER A 87 -25.104 18.712 -11.506 1.00 33.21 O ATOM 1126 CB SER A 87 -23.528 16.548 -13.702 1.00 32.12 C ATOM 1127 OG SER A 87 -22.945 17.621 -14.421 1.00 74.34 O ATOM 0 H SER A 87 -23.819 14.840 -11.875 1.00 51.01 H new ATOM 0 HA SER A 87 -22.901 17.596 -11.933 1.00 51.32 H new ATOM 0 HB2 SER A 87 -22.904 15.659 -13.799 1.00 32.12 H new ATOM 0 HB3 SER A 87 -24.500 16.304 -14.131 1.00 32.12 H new ATOM 0 HG SER A 87 -22.849 17.369 -15.363 1.00 74.34 H new ATOM 1132 N LYS A 88 -26.113 16.894 -12.366 1.00 5.41 N ATOM 1133 CA LYS A 88 -27.460 17.430 -12.205 1.00 31.24 C ATOM 1134 C LYS A 88 -27.885 17.403 -10.741 1.00 12.13 C ATOM 1135 O LYS A 88 -28.257 18.431 -10.173 1.00 14.43 O ATOM 1136 CB LYS A 88 -28.453 16.630 -13.050 1.00 65.24 C ATOM 1137 CG LYS A 88 -29.415 17.498 -13.844 1.00 13.42 C ATOM 1138 CD LYS A 88 -30.772 16.833 -13.993 1.00 51.30 C ATOM 1139 CE LYS A 88 -31.634 17.552 -15.020 1.00 50.15 C ATOM 1140 NZ LYS A 88 -31.987 18.930 -14.582 1.00 25.35 N ATOM 0 H LYS A 88 -26.077 15.961 -12.777 1.00 5.41 H new ATOM 0 HA LYS A 88 -27.455 18.466 -12.544 1.00 31.24 H new ATOM 0 HB2 LYS A 88 -27.899 15.992 -13.739 1.00 65.24 H new ATOM 0 HB3 LYS A 88 -29.026 15.972 -12.396 1.00 65.24 H new ATOM 0 HG2 LYS A 88 -29.533 18.461 -13.347 1.00 13.42 H new ATOM 0 HG3 LYS A 88 -28.997 17.698 -14.830 1.00 13.42 H new ATOM 0 HD2 LYS A 88 -30.638 15.793 -14.292 1.00 51.30 H new ATOM 0 HD3 LYS A 88 -31.282 16.824 -13.030 1.00 51.30 H new ATOM 0 HE2 LYS A 88 -31.103 17.598 -15.971 1.00 50.15 H new ATOM 0 HE3 LYS A 88 -32.546 16.981 -15.192 1.00 50.15 H new ATOM 0 HZ1 LYS A 88 -32.602 19.373 -15.293 1.00 25.35 H new ATOM 0 HZ2 LYS A 88 -32.486 18.887 -13.671 1.00 25.35 H new ATOM 0 HZ3 LYS A 88 -31.119 19.493 -14.475 1.00 25.35 H new ATOM 1150 N LEU A 89 -27.827 16.223 -10.134 1.00 14.22 N ATOM 1151 CA LEU A 89 -28.204 16.062 -8.735 1.00 1.43 C ATOM 1152 C LEU A 89 -27.504 17.096 -7.858 1.00 71.42 C ATOM 1153 O LEU A 89 -28.034 17.514 -6.830 1.00 21.03 O ATOM 1154 CB LEU A 89 -27.861 14.651 -8.251 1.00 21.41 C ATOM 1155 CG LEU A 89 -28.356 14.281 -6.852 1.00 64.24 C ATOM 1156 CD1 LEU A 89 -29.716 14.908 -6.586 1.00 12.33 C ATOM 1157 CD2 LEU A 89 -28.424 12.770 -6.693 1.00 73.23 C ATOM 0 H LEU A 89 -27.522 15.363 -10.590 1.00 14.22 H new ATOM 0 HA LEU A 89 -29.280 16.215 -8.656 1.00 1.43 H new ATOM 0 HB2 LEU A 89 -28.274 13.935 -8.962 1.00 21.41 H new ATOM 0 HB3 LEU A 89 -26.777 14.534 -8.274 1.00 21.41 H new ATOM 0 HG LEU A 89 -27.648 14.672 -6.121 1.00 64.24 H new ATOM 0 HD11 LEU A 89 -30.053 14.635 -5.586 1.00 12.33 H new ATOM 0 HD12 LEU A 89 -29.637 15.993 -6.658 1.00 12.33 H new ATOM 0 HD13 LEU A 89 -30.434 14.547 -7.323 1.00 12.33 H new ATOM 0 HD21 LEU A 89 -28.778 12.525 -5.692 1.00 73.23 H new ATOM 0 HD22 LEU A 89 -29.111 12.357 -7.432 1.00 73.23 H new ATOM 0 HD23 LEU A 89 -27.432 12.344 -6.841 1.00 73.23 H new ATOM 1168 N ASN A 90 -26.311 17.507 -8.277 1.00 12.44 N ATOM 1169 CA ASN A 90 -25.538 18.494 -7.531 1.00 44.44 C ATOM 1170 C ASN A 90 -25.804 19.902 -8.056 1.00 73.14 C ATOM 1171 O ASN A 90 -26.234 20.782 -7.312 1.00 21.42 O ATOM 1172 CB ASN A 90 -24.044 18.177 -7.621 1.00 65.13 C ATOM 1173 CG ASN A 90 -23.278 18.653 -6.403 1.00 33.52 C ATOM 1174 OD1 ASN A 90 -22.892 19.819 -6.315 1.00 34.13 O ATOM 1175 ND2 ASN A 90 -23.053 17.749 -5.455 1.00 64.00 N ATOM 0 H ASN A 90 -25.859 17.172 -9.128 1.00 12.44 H new ATOM 0 HA ASN A 90 -25.849 18.450 -6.487 1.00 44.44 H new ATOM 0 HB2 ASN A 90 -23.910 17.101 -7.734 1.00 65.13 H new ATOM 0 HB3 ASN A 90 -23.629 18.645 -8.514 1.00 65.13 H new ATOM 0 HD21 ASN A 90 -22.542 18.010 -4.612 1.00 64.00 H new ATOM 0 HD22 ASN A 90 -23.392 16.794 -5.570 1.00 64.00 H new ATOM 1181 N ASP A 91 -25.544 20.105 -9.344 1.00 44.30 N ATOM 1182 CA ASP A 91 -25.757 21.405 -9.970 1.00 20.21 C ATOM 1183 C ASP A 91 -27.231 21.796 -9.925 1.00 15.12 C ATOM 1184 O ASP A 91 -27.576 22.970 -10.054 1.00 53.13 O ATOM 1185 CB ASP A 91 -25.267 21.383 -11.419 1.00 2.23 C ATOM 1186 CG ASP A 91 -23.789 21.059 -11.526 1.00 44.42 C ATOM 1187 OD1 ASP A 91 -23.084 21.167 -10.501 1.00 52.10 O ATOM 1188 OD2 ASP A 91 -23.339 20.700 -12.634 1.00 55.44 O ATOM 0 H ASP A 91 -25.186 19.387 -9.974 1.00 44.30 H new ATOM 0 HA ASP A 91 -25.186 22.147 -9.412 1.00 20.21 H new ATOM 0 HB2 ASP A 91 -25.839 20.646 -11.982 1.00 2.23 H new ATOM 0 HB3 ASP A 91 -25.458 22.353 -11.879 1.00 2.23 H new ATOM 1192 N ALA A 92 -28.096 20.804 -9.740 1.00 74.42 N ATOM 1193 CA ALA A 92 -29.532 21.044 -9.676 1.00 60.55 C ATOM 1194 C ALA A 92 -29.998 21.209 -8.234 1.00 52.11 C ATOM 1195 O ALA A 92 -30.945 21.944 -7.957 1.00 5.11 O ATOM 1196 CB ALA A 92 -30.287 19.908 -10.351 1.00 65.43 C ATOM 0 H ALA A 92 -27.827 19.826 -9.632 1.00 74.42 H new ATOM 0 HA ALA A 92 -29.744 21.972 -10.206 1.00 60.55 H new ATOM 0 HB1 ALA A 92 -31.359 20.100 -10.296 1.00 65.43 H new ATOM 0 HB2 ALA A 92 -29.984 19.840 -11.396 1.00 65.43 H new ATOM 0 HB3 ALA A 92 -30.060 18.969 -9.845 1.00 65.43 H new ATOM 1202 N VAL A 93 -29.326 20.519 -7.318 1.00 43.23 N ATOM 1203 CA VAL A 93 -29.671 20.589 -5.903 1.00 42.23 C ATOM 1204 C VAL A 93 -28.636 21.393 -5.124 1.00 63.33 C ATOM 1205 O VAL A 93 -28.947 22.441 -4.560 1.00 34.53 O ATOM 1206 CB VAL A 93 -29.786 19.184 -5.283 1.00 1.24 C ATOM 1207 CG1 VAL A 93 -30.330 19.269 -3.865 1.00 51.42 C ATOM 1208 CG2 VAL A 93 -30.664 18.291 -6.147 1.00 73.12 C ATOM 0 H VAL A 93 -28.540 19.905 -7.530 1.00 43.23 H new ATOM 0 HA VAL A 93 -30.638 21.087 -5.838 1.00 42.23 H new ATOM 0 HB VAL A 93 -28.790 18.743 -5.239 1.00 1.24 H new ATOM 0 HG11 VAL A 93 -30.404 18.267 -3.443 1.00 51.42 H new ATOM 0 HG12 VAL A 93 -29.658 19.871 -3.253 1.00 51.42 H new ATOM 0 HG13 VAL A 93 -31.318 19.730 -3.881 1.00 51.42 H new ATOM 0 HG21 VAL A 93 -30.734 17.302 -5.694 1.00 73.12 H new ATOM 0 HG22 VAL A 93 -31.660 18.726 -6.225 1.00 73.12 H new ATOM 0 HG23 VAL A 93 -30.227 18.204 -7.142 1.00 73.12 H new ATOM 1218 N GLU A 94 -27.404 20.894 -5.099 1.00 41.41 N ATOM 1219 CA GLU A 94 -26.322 21.567 -4.390 1.00 5.54 C ATOM 1220 C GLU A 94 -26.189 23.016 -4.848 1.00 12.55 C ATOM 1221 O GLU A 94 -25.954 23.915 -4.040 1.00 24.15 O ATOM 1222 CB GLU A 94 -25.001 20.828 -4.608 1.00 73.51 C ATOM 1223 CG GLU A 94 -24.198 20.625 -3.335 1.00 24.24 C ATOM 1224 CD GLU A 94 -23.972 19.162 -3.013 1.00 13.22 C ATOM 1225 OE1 GLU A 94 -24.939 18.377 -3.110 1.00 71.13 O ATOM 1226 OE2 GLU A 94 -22.829 18.799 -2.664 1.00 64.41 O ATOM 0 H GLU A 94 -27.131 20.027 -5.561 1.00 41.41 H new ATOM 0 HA GLU A 94 -26.561 21.561 -3.327 1.00 5.54 H new ATOM 0 HB2 GLU A 94 -25.208 19.856 -5.055 1.00 73.51 H new ATOM 0 HB3 GLU A 94 -24.397 21.386 -5.323 1.00 73.51 H new ATOM 0 HG2 GLU A 94 -23.234 21.124 -3.435 1.00 24.24 H new ATOM 0 HG3 GLU A 94 -24.718 21.100 -2.503 1.00 24.24 H new ATOM 1231 N TYR A 95 -26.341 23.236 -6.149 1.00 14.52 N ATOM 1232 CA TYR A 95 -26.235 24.574 -6.716 1.00 11.02 C ATOM 1233 C TYR A 95 -27.529 25.356 -6.513 1.00 71.44 C ATOM 1234 O TYR A 95 -27.514 26.494 -6.044 1.00 52.12 O ATOM 1235 CB TYR A 95 -25.902 24.495 -8.207 1.00 54.41 C ATOM 1236 CG TYR A 95 -26.125 25.793 -8.948 1.00 14.23 C ATOM 1237 CD1 TYR A 95 -25.192 26.821 -8.884 1.00 71.43 C ATOM 1238 CD2 TYR A 95 -27.269 25.993 -9.710 1.00 53.21 C ATOM 1239 CE1 TYR A 95 -25.392 28.010 -9.559 1.00 12.25 C ATOM 1240 CE2 TYR A 95 -27.477 27.178 -10.389 1.00 71.21 C ATOM 1241 CZ TYR A 95 -26.536 28.183 -10.310 1.00 63.22 C ATOM 1242 OH TYR A 95 -26.739 29.366 -10.984 1.00 40.12 O ATOM 0 H TYR A 95 -26.538 22.504 -6.831 1.00 14.52 H new ATOM 0 HA TYR A 95 -25.431 25.097 -6.199 1.00 11.02 H new ATOM 0 HB2 TYR A 95 -24.860 24.195 -8.322 1.00 54.41 H new ATOM 0 HB3 TYR A 95 -26.511 23.716 -8.666 1.00 54.41 H new ATOM 0 HD1 TYR A 95 -24.295 26.688 -8.297 1.00 71.43 H new ATOM 0 HD2 TYR A 95 -28.009 25.209 -9.773 1.00 53.21 H new ATOM 0 HE1 TYR A 95 -24.657 28.799 -9.499 1.00 12.25 H new ATOM 0 HE2 TYR A 95 -28.371 27.317 -10.978 1.00 71.21 H new ATOM 0 HH TYR A 95 -27.591 29.326 -11.466 1.00 40.12 H new ATOM 1251 N VAL A 96 -28.649 24.735 -6.871 1.00 42.51 N ATOM 1252 CA VAL A 96 -29.953 25.370 -6.728 1.00 44.21 C ATOM 1253 C VAL A 96 -30.463 25.264 -5.295 1.00 53.52 C ATOM 1254 O VAL A 96 -30.594 26.267 -4.595 1.00 65.33 O ATOM 1255 CB VAL A 96 -30.990 24.742 -7.678 1.00 44.45 C ATOM 1256 CG1 VAL A 96 -32.215 25.638 -7.800 1.00 54.51 C ATOM 1257 CG2 VAL A 96 -30.374 24.482 -9.043 1.00 33.20 C ATOM 0 H VAL A 96 -28.679 23.793 -7.262 1.00 42.51 H new ATOM 0 HA VAL A 96 -29.823 26.421 -6.987 1.00 44.21 H new ATOM 0 HB VAL A 96 -31.307 23.787 -7.260 1.00 44.45 H new ATOM 0 HG11 VAL A 96 -32.937 25.178 -8.475 1.00 54.51 H new ATOM 0 HG12 VAL A 96 -32.669 25.769 -6.818 1.00 54.51 H new ATOM 0 HG13 VAL A 96 -31.917 26.610 -8.194 1.00 54.51 H new ATOM 0 HG21 VAL A 96 -31.121 24.038 -9.701 1.00 33.20 H new ATOM 0 HG22 VAL A 96 -30.027 25.423 -9.471 1.00 33.20 H new ATOM 0 HG23 VAL A 96 -29.532 23.798 -8.938 1.00 33.20 H new ATOM 1267 N SER A 97 -30.747 24.039 -4.864 1.00 43.53 N ATOM 1268 CA SER A 97 -31.246 23.800 -3.514 1.00 63.31 C ATOM 1269 C SER A 97 -30.302 24.396 -2.474 1.00 45.32 C ATOM 1270 O SER A 97 -30.712 24.714 -1.358 1.00 64.53 O ATOM 1271 CB SER A 97 -31.412 22.299 -3.267 1.00 41.22 C ATOM 1272 OG SER A 97 -32.509 22.042 -2.408 1.00 62.41 O ATOM 0 H SER A 97 -30.640 23.197 -5.430 1.00 43.53 H new ATOM 0 HA SER A 97 -32.217 24.286 -3.420 1.00 63.31 H new ATOM 0 HB2 SER A 97 -31.562 21.785 -4.217 1.00 41.22 H new ATOM 0 HB3 SER A 97 -30.500 21.897 -2.827 1.00 41.22 H new ATOM 0 HG SER A 97 -32.595 21.076 -2.267 1.00 62.41 H new ATOM 1277 N GLY A 98 -29.035 24.545 -2.848 1.00 22.10 N ATOM 1278 CA GLY A 98 -28.053 25.103 -1.938 1.00 23.04 C ATOM 1279 C GLY A 98 -28.062 26.619 -1.932 1.00 70.05 C ATOM 1280 O GLY A 98 -27.638 27.246 -0.960 1.00 75.45 O ATOM 0 H GLY A 98 -28.671 24.289 -3.766 1.00 22.10 H new ATOM 0 HA2 GLY A 98 -28.248 24.738 -0.930 1.00 23.04 H new ATOM 0 HA3 GLY A 98 -27.061 24.750 -2.218 1.00 23.04 H new ATOM 1283 N ARG A 99 -28.544 27.210 -3.020 1.00 43.44 N ATOM 1284 CA ARG A 99 -28.604 28.662 -3.138 1.00 62.01 C ATOM 1285 C ARG A 99 -29.911 29.201 -2.565 1.00 70.22 C ATOM 1286 O ARG A 99 -29.974 30.338 -2.097 1.00 63.45 O ATOM 1287 CB ARG A 99 -28.465 29.082 -4.603 1.00 14.34 C ATOM 1288 CG ARG A 99 -27.026 29.305 -5.038 1.00 63.51 C ATOM 1289 CD ARG A 99 -26.748 30.776 -5.309 1.00 75.53 C ATOM 1290 NE ARG A 99 -25.432 31.183 -4.824 1.00 52.13 N ATOM 1291 CZ ARG A 99 -24.788 32.260 -5.262 1.00 43.31 C ATOM 1292 NH1 ARG A 99 -25.337 33.033 -6.188 1.00 61.12 N ATOM 1293 NH2 ARG A 99 -23.594 32.565 -4.771 1.00 21.10 N ATOM 0 H ARG A 99 -28.899 26.706 -3.833 1.00 43.44 H new ATOM 0 HA ARG A 99 -27.777 29.082 -2.566 1.00 62.01 H new ATOM 0 HB2 ARG A 99 -28.913 28.316 -5.236 1.00 14.34 H new ATOM 0 HB3 ARG A 99 -29.031 29.999 -4.765 1.00 14.34 H new ATOM 0 HG2 ARG A 99 -26.350 28.942 -4.263 1.00 63.51 H new ATOM 0 HG3 ARG A 99 -26.822 28.723 -5.937 1.00 63.51 H new ATOM 0 HD2 ARG A 99 -26.814 30.966 -6.380 1.00 75.53 H new ATOM 0 HD3 ARG A 99 -27.515 31.384 -4.829 1.00 75.53 H new ATOM 0 HE ARG A 99 -24.983 30.609 -4.110 1.00 52.13 H new ATOM 0 HH11 ARG A 99 -26.256 32.802 -6.566 1.00 61.12 H new ATOM 0 HH12 ARG A 99 -24.841 33.859 -6.523 1.00 61.12 H new ATOM 0 HH21 ARG A 99 -23.170 31.973 -4.057 1.00 21.10 H new ATOM 0 HH22 ARG A 99 -23.100 33.392 -5.107 1.00 21.10 H new ATOM 1304 N VAL A 100 -30.953 28.377 -2.606 1.00 0.11 N ATOM 1305 CA VAL A 100 -32.259 28.770 -2.090 1.00 51.13 C ATOM 1306 C VAL A 100 -32.336 28.576 -0.580 1.00 23.52 C ATOM 1307 O VAL A 100 -33.002 29.338 0.122 1.00 32.35 O ATOM 1308 CB VAL A 100 -33.391 27.966 -2.758 1.00 5.34 C ATOM 1309 CG1 VAL A 100 -33.405 26.535 -2.244 1.00 71.13 C ATOM 1310 CG2 VAL A 100 -34.735 28.639 -2.519 1.00 21.55 C ATOM 0 H VAL A 100 -30.918 27.433 -2.991 1.00 0.11 H new ATOM 0 HA VAL A 100 -32.386 29.827 -2.324 1.00 51.13 H new ATOM 0 HB VAL A 100 -33.209 27.939 -3.832 1.00 5.34 H new ATOM 0 HG11 VAL A 100 -34.211 25.983 -2.727 1.00 71.13 H new ATOM 0 HG12 VAL A 100 -32.452 26.058 -2.470 1.00 71.13 H new ATOM 0 HG13 VAL A 100 -33.562 26.537 -1.165 1.00 71.13 H new ATOM 0 HG21 VAL A 100 -35.523 28.058 -2.998 1.00 21.55 H new ATOM 0 HG22 VAL A 100 -34.927 28.698 -1.448 1.00 21.55 H new ATOM 0 HG23 VAL A 100 -34.719 29.644 -2.940 1.00 21.55 H new ATOM 1320 N HIS A 101 -31.649 27.552 -0.086 1.00 52.41 N ATOM 1321 CA HIS A 101 -31.638 27.257 1.343 1.00 22.35 C ATOM 1322 C HIS A 101 -30.426 27.891 2.019 1.00 32.45 C ATOM 1323 O HIS A 101 -30.520 28.402 3.134 1.00 51.35 O ATOM 1324 CB HIS A 101 -31.631 25.745 1.574 1.00 2.34 C ATOM 1325 CG HIS A 101 -31.922 25.355 2.991 1.00 64.22 C ATOM 1326 ND1 HIS A 101 -33.150 25.546 3.587 1.00 43.43 N ATOM 1327 CD2 HIS A 101 -31.135 24.779 3.930 1.00 63.22 C ATOM 1328 CE1 HIS A 101 -33.106 25.106 4.832 1.00 5.31 C ATOM 1329 NE2 HIS A 101 -31.894 24.635 5.064 1.00 2.52 N ATOM 0 H HIS A 101 -31.093 26.912 -0.653 1.00 52.41 H new ATOM 0 HA HIS A 101 -32.541 27.680 1.783 1.00 22.35 H new ATOM 0 HB2 HIS A 101 -32.369 25.282 0.919 1.00 2.34 H new ATOM 0 HB3 HIS A 101 -30.657 25.346 1.289 1.00 2.34 H new ATOM 0 HD2 HIS A 101 -30.102 24.487 3.809 1.00 63.22 H new ATOM 0 HE1 HIS A 101 -33.922 25.128 5.539 1.00 5.31 H new ATOM 0 HE2 HIS A 101 -31.574 24.230 5.944 1.00 2.52 H new ATOM 1336 N GLY A 102 -29.286 27.855 1.335 1.00 70.42 N ATOM 1337 CA GLY A 102 -28.072 28.429 1.885 1.00 34.41 C ATOM 1338 C GLY A 102 -27.254 27.418 2.663 1.00 61.00 C ATOM 1339 O GLY A 102 -27.755 26.355 3.029 1.00 34.01 O ATOM 0 H GLY A 102 -29.182 27.438 0.410 1.00 70.42 H new ATOM 0 HA2 GLY A 102 -27.467 28.836 1.075 1.00 34.41 H new ATOM 0 HA3 GLY A 102 -28.331 29.262 2.538 1.00 34.41 H new ATOM 1342 N GLU A 103 -25.991 27.748 2.916 1.00 43.01 N ATOM 1343 CA GLU A 103 -25.102 26.859 3.654 1.00 64.21 C ATOM 1344 C GLU A 103 -25.361 26.954 5.155 1.00 24.11 C ATOM 1345 O GLU A 103 -25.205 28.017 5.755 1.00 51.11 O ATOM 1346 CB GLU A 103 -23.641 27.199 3.355 1.00 63.32 C ATOM 1347 CG GLU A 103 -23.268 28.633 3.691 1.00 43.20 C ATOM 1348 CD GLU A 103 -22.570 28.756 5.032 1.00 61.32 C ATOM 1349 OE1 GLU A 103 -21.582 28.026 5.256 1.00 55.03 O ATOM 1350 OE2 GLU A 103 -23.012 29.583 5.857 1.00 62.32 O ATOM 0 H GLU A 103 -25.561 28.624 2.621 1.00 43.01 H new ATOM 0 HA GLU A 103 -25.303 25.837 3.332 1.00 64.21 H new ATOM 0 HB2 GLU A 103 -22.997 26.524 3.918 1.00 63.32 H new ATOM 0 HB3 GLU A 103 -23.444 27.020 2.298 1.00 63.32 H new ATOM 0 HG2 GLU A 103 -22.618 29.028 2.910 1.00 43.20 H new ATOM 0 HG3 GLU A 103 -24.169 29.247 3.697 1.00 43.20 H new ATOM 1355 N GLU A 104 -25.757 25.835 5.754 1.00 62.44 N ATOM 1356 CA GLU A 104 -26.039 25.793 7.183 1.00 11.44 C ATOM 1357 C GLU A 104 -24.805 25.357 7.968 1.00 54.33 C ATOM 1358 O GLU A 104 -24.884 25.080 9.166 1.00 34.51 O ATOM 1359 CB GLU A 104 -27.202 24.841 7.469 1.00 14.04 C ATOM 1360 CG GLU A 104 -28.563 25.425 7.135 1.00 44.13 C ATOM 1361 CD GLU A 104 -29.423 25.643 8.364 1.00 14.31 C ATOM 1362 OE1 GLU A 104 -28.962 26.338 9.295 1.00 72.23 O ATOM 1363 OE2 GLU A 104 -30.556 25.119 8.398 1.00 24.51 O ATOM 0 H GLU A 104 -25.890 24.946 5.271 1.00 62.44 H new ATOM 0 HA GLU A 104 -26.316 26.798 7.502 1.00 11.44 H new ATOM 0 HB2 GLU A 104 -27.059 23.924 6.897 1.00 14.04 H new ATOM 0 HB3 GLU A 104 -27.183 24.565 8.523 1.00 14.04 H new ATOM 0 HG2 GLU A 104 -28.429 26.375 6.617 1.00 44.13 H new ATOM 0 HG3 GLU A 104 -29.082 24.757 6.447 1.00 44.13 H new ATOM 1368 N ASP A 105 -23.667 25.298 7.285 1.00 32.11 N ATOM 1369 CA ASP A 105 -22.416 24.895 7.918 1.00 63.43 C ATOM 1370 C ASP A 105 -21.640 26.113 8.410 1.00 11.23 C ATOM 1371 O ASP A 105 -21.867 27.242 7.975 1.00 0.13 O ATOM 1372 CB ASP A 105 -21.559 24.093 6.937 1.00 53.23 C ATOM 1373 CG ASP A 105 -21.732 22.596 7.108 1.00 42.42 C ATOM 1374 OD1 ASP A 105 -21.017 22.009 7.947 1.00 65.32 O ATOM 1375 OD2 ASP A 105 -22.582 22.012 6.404 1.00 70.51 O ATOM 0 H ASP A 105 -23.585 25.524 6.294 1.00 32.11 H new ATOM 0 HA ASP A 105 -22.657 24.268 8.776 1.00 63.43 H new ATOM 0 HB2 ASP A 105 -21.822 24.372 5.917 1.00 53.23 H new ATOM 0 HB3 ASP A 105 -20.510 24.353 7.078 1.00 53.23 H new ATOM 1379 N PRO A 106 -20.704 25.881 9.342 1.00 74.43 N ATOM 1380 CA PRO A 106 -19.876 26.947 9.915 1.00 12.13 C ATOM 1381 C PRO A 106 -18.877 27.509 8.910 1.00 74.15 C ATOM 1382 O PRO A 106 -17.722 27.085 8.861 1.00 14.45 O ATOM 1383 CB PRO A 106 -19.143 26.248 11.063 1.00 64.11 C ATOM 1384 CG PRO A 106 -19.110 24.811 10.673 1.00 63.04 C ATOM 1385 CD PRO A 106 -20.380 24.559 9.907 1.00 24.34 C ATOM 0 HA PRO A 106 -20.474 27.802 10.230 1.00 12.13 H new ATOM 0 HB2 PRO A 106 -18.137 26.647 11.191 1.00 64.11 H new ATOM 0 HB3 PRO A 106 -19.664 26.389 12.010 1.00 64.11 H new ATOM 0 HG2 PRO A 106 -18.235 24.593 10.060 1.00 63.04 H new ATOM 0 HG3 PRO A 106 -19.051 24.169 11.552 1.00 63.04 H new ATOM 0 HD2 PRO A 106 -20.237 23.812 9.126 1.00 24.34 H new ATOM 0 HD3 PRO A 106 -21.175 24.193 10.556 1.00 24.34 H new ATOM 1390 N THR A 107 -19.328 28.467 8.106 1.00 21.32 N ATOM 1391 CA THR A 107 -18.475 29.088 7.101 1.00 34.14 C ATOM 1392 C THR A 107 -17.193 29.629 7.726 1.00 4.34 C ATOM 1393 O THR A 107 -16.140 29.647 7.091 1.00 20.42 O ATOM 1394 CB THR A 107 -19.202 30.234 6.375 1.00 23.14 C ATOM 1395 OG1 THR A 107 -20.604 30.188 6.669 1.00 74.45 O ATOM 1396 CG2 THR A 107 -18.990 30.145 4.872 1.00 73.42 C ATOM 0 H THR A 107 -20.281 28.830 8.132 1.00 21.32 H new ATOM 0 HA THR A 107 -18.225 28.312 6.377 1.00 34.14 H new ATOM 0 HB THR A 107 -18.788 31.179 6.727 1.00 23.14 H new ATOM 0 HG1 THR A 107 -21.081 30.814 6.086 1.00 74.45 H new ATOM 0 HG21 THR A 107 -19.514 30.966 4.381 1.00 73.42 H new ATOM 0 HG22 THR A 107 -17.925 30.210 4.650 1.00 73.42 H new ATOM 0 HG23 THR A 107 -19.380 29.195 4.505 1.00 73.42 H new ATOM 1404 N LYS A 108 -17.291 30.068 8.976 1.00 5.22 N ATOM 1405 CA LYS A 108 -16.140 30.610 9.689 1.00 14.44 C ATOM 1406 C LYS A 108 -16.432 30.731 11.181 1.00 4.43 C ATOM 1407 O LYS A 108 -17.587 30.859 11.590 1.00 53.32 O ATOM 1408 CB LYS A 108 -15.758 31.978 9.120 1.00 14.12 C ATOM 1409 CG LYS A 108 -16.942 32.910 8.930 1.00 52.22 C ATOM 1410 CD LYS A 108 -16.495 34.351 8.758 1.00 31.24 C ATOM 1411 CE LYS A 108 -16.435 35.080 10.092 1.00 53.02 C ATOM 1412 NZ LYS A 108 -15.032 35.337 10.521 1.00 4.42 N ATOM 0 H LYS A 108 -18.156 30.059 9.517 1.00 5.22 H new ATOM 0 HA LYS A 108 -15.305 29.923 9.555 1.00 14.44 H new ATOM 0 HB2 LYS A 108 -15.037 32.451 9.787 1.00 14.12 H new ATOM 0 HB3 LYS A 108 -15.260 31.837 8.161 1.00 14.12 H new ATOM 0 HG2 LYS A 108 -17.514 32.599 8.056 1.00 52.22 H new ATOM 0 HG3 LYS A 108 -17.607 32.835 9.790 1.00 52.22 H new ATOM 0 HD2 LYS A 108 -15.513 34.374 8.285 1.00 31.24 H new ATOM 0 HD3 LYS A 108 -17.183 34.869 8.090 1.00 31.24 H new ATOM 0 HE2 LYS A 108 -16.970 36.027 10.013 1.00 53.02 H new ATOM 0 HE3 LYS A 108 -16.945 34.488 10.852 1.00 53.02 H new ATOM 0 HZ1 LYS A 108 -15.034 35.835 11.434 1.00 4.42 H new ATOM 0 HZ2 LYS A 108 -14.528 34.433 10.621 1.00 4.42 H new ATOM 0 HZ3 LYS A 108 -14.553 35.923 9.808 1.00 4.42 H new ATOM 1422 N LYS A 109 -15.379 30.693 11.992 1.00 70.35 N ATOM 1423 CA LYS A 109 -15.522 30.802 13.439 1.00 63.33 C ATOM 1424 C LYS A 109 -14.763 32.013 13.970 1.00 21.34 C ATOM 1425 O LYS A 109 -14.313 32.863 13.202 1.00 60.14 O ATOM 1426 CB LYS A 109 -15.014 29.529 14.119 1.00 1.22 C ATOM 1427 CG LYS A 109 -14.953 29.632 15.634 1.00 63.51 C ATOM 1428 CD LYS A 109 -15.230 28.292 16.294 1.00 3.25 C ATOM 1429 CE LYS A 109 -16.709 27.938 16.237 1.00 35.53 C ATOM 1430 NZ LYS A 109 -17.550 28.957 16.924 1.00 54.21 N ATOM 0 H LYS A 109 -14.417 30.587 11.671 1.00 70.35 H new ATOM 0 HA LYS A 109 -16.580 30.930 13.667 1.00 63.33 H new ATOM 0 HB2 LYS A 109 -15.663 28.697 13.845 1.00 1.22 H new ATOM 0 HB3 LYS A 109 -14.020 29.296 13.739 1.00 1.22 H new ATOM 0 HG2 LYS A 109 -13.969 29.991 15.936 1.00 63.51 H new ATOM 0 HG3 LYS A 109 -15.681 30.366 15.980 1.00 63.51 H new ATOM 0 HD2 LYS A 109 -14.649 27.514 15.798 1.00 3.25 H new ATOM 0 HD3 LYS A 109 -14.902 28.322 17.333 1.00 3.25 H new ATOM 0 HE2 LYS A 109 -17.022 27.851 15.196 1.00 35.53 H new ATOM 0 HE3 LYS A 109 -16.867 26.964 16.700 1.00 35.53 H new ATOM 0 HZ1 LYS A 109 -18.453 28.527 17.209 1.00 54.21 H new ATOM 0 HZ2 LYS A 109 -17.052 29.307 17.767 1.00 54.21 H new ATOM 0 HZ3 LYS A 109 -17.734 29.749 16.276 1.00 54.21 H new TER 1440 LYS A 109