USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 474 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 Single : A 1 ALA N :NH3+ -102:sc= 0.12 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.11) USER MOD Single : A 8 SER OG : rot 68:sc= 0.702 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.64! C(o=-1.6!,f=-4.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 139:sc= -0.452 USER MOD Single : A 29 ASN : amide:sc= -6.2! C(o=-6.2!,f=-7.9!) USER MOD Single : A 30 SER OG : rot -84:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0482 K(o=-0.048,f=-0.72) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.97! K(o=-3!,f=-0.31) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.0663 K(o=0.066,f=-0.58) USER MOD Single : A 48 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.71) USER MOD Single : A 49 ASN : amide:sc= -3.71! C(o=-3.7!,f=-6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00305 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 58 GLN : amide:sc= -0.93 K(o=-0.93,f=-5.3!) USER MOD Single : A 59 THR OG1 : rot 106:sc= 1.3 USER MOD Single : A 61 GLN : amide:sc= -10.1! C(o=-10!,f=-13!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.405 5.102 -1.812 1.00 25.22 N ATOM 2 CA ALA A 1 2.503 5.236 -3.249 1.00 72.05 C ATOM 3 C ALA A 1 3.495 4.236 -3.758 1.00 74.40 C ATOM 4 O ALA A 1 4.371 3.787 -3.011 1.00 4.45 O ATOM 5 CB ALA A 1 2.952 6.642 -3.615 1.00 40.41 C ATOM 0 H1 ALA A 1 1.540 4.577 -1.570 1.00 25.22 H new ATOM 0 H2 ALA A 1 3.234 4.587 -1.454 1.00 25.22 H new ATOM 0 H3 ALA A 1 2.370 6.046 -1.377 1.00 25.22 H new ATOM 0 HA ALA A 1 1.528 5.056 -3.701 1.00 72.05 H new ATOM 0 HB1 ALA A 1 3.022 6.731 -4.699 1.00 40.41 H new ATOM 0 HB2 ALA A 1 2.229 7.365 -3.238 1.00 40.41 H new ATOM 0 HB3 ALA A 1 3.928 6.840 -3.171 1.00 40.41 H new ATOM 13 N ARG A 2 3.352 3.869 -4.994 1.00 12.14 N ATOM 14 CA ARG A 2 4.254 2.947 -5.601 1.00 60.10 C ATOM 15 C ARG A 2 4.998 3.806 -6.610 1.00 1.23 C ATOM 16 O ARG A 2 4.335 4.508 -7.395 1.00 4.25 O ATOM 17 CB ARG A 2 3.510 1.829 -6.323 1.00 63.43 C ATOM 18 CG ARG A 2 4.069 0.441 -6.047 1.00 21.32 C ATOM 19 CD ARG A 2 3.624 -0.074 -4.680 1.00 14.10 C ATOM 20 NE ARG A 2 2.176 -0.392 -4.662 1.00 24.31 N ATOM 21 CZ ARG A 2 1.458 -0.756 -3.580 1.00 14.20 C ATOM 22 NH1 ARG A 2 1.961 -0.633 -2.366 1.00 44.10 N ATOM 23 NH2 ARG A 2 0.208 -1.187 -3.723 1.00 51.14 N ATOM 0 H ARG A 2 2.608 4.201 -5.607 1.00 12.14 H new ATOM 0 HA ARG A 2 4.900 2.457 -4.873 1.00 60.10 H new ATOM 0 HB2 ARG A 2 2.461 1.853 -6.027 1.00 63.43 H new ATOM 0 HB3 ARG A 2 3.543 2.017 -7.396 1.00 63.43 H new ATOM 0 HG2 ARG A 2 3.737 -0.248 -6.823 1.00 21.32 H new ATOM 0 HG3 ARG A 2 5.158 0.470 -6.091 1.00 21.32 H new ATOM 0 HD2 ARG A 2 4.196 -0.965 -4.422 1.00 14.10 H new ATOM 0 HD3 ARG A 2 3.842 0.676 -3.919 1.00 14.10 H new ATOM 0 HE ARG A 2 1.677 -0.330 -5.549 1.00 24.31 H new ATOM 0 HH11 ARG A 2 2.902 -0.259 -2.239 1.00 44.10 H new ATOM 0 HH12 ARG A 2 1.409 -0.911 -1.555 1.00 44.10 H new ATOM 0 HH21 ARG A 2 -0.209 -1.243 -4.652 1.00 51.14 H new ATOM 0 HH22 ARG A 2 -0.334 -1.462 -2.904 1.00 51.14 H new ATOM 37 N PRO A 3 6.343 3.809 -6.583 1.00 33.23 N ATOM 38 CA PRO A 3 7.171 4.734 -7.376 1.00 55.22 C ATOM 39 C PRO A 3 6.774 4.897 -8.855 1.00 71.23 C ATOM 40 O PRO A 3 6.155 5.900 -9.227 1.00 61.15 O ATOM 41 CB PRO A 3 8.590 4.189 -7.225 1.00 64.02 C ATOM 42 CG PRO A 3 8.569 3.481 -5.918 1.00 33.01 C ATOM 43 CD PRO A 3 7.184 2.900 -5.779 1.00 4.13 C ATOM 0 HA PRO A 3 7.045 5.750 -7.002 1.00 55.22 H new ATOM 0 HB2 PRO A 3 8.846 3.513 -8.041 1.00 64.02 H new ATOM 0 HB3 PRO A 3 9.328 4.991 -7.232 1.00 64.02 H new ATOM 0 HG2 PRO A 3 9.325 2.697 -5.887 1.00 33.01 H new ATOM 0 HG3 PRO A 3 8.788 4.167 -5.100 1.00 33.01 H new ATOM 0 HD2 PRO A 3 7.139 1.877 -6.153 1.00 4.13 H new ATOM 0 HD3 PRO A 3 6.863 2.873 -4.738 1.00 4.13 H new ATOM 51 N LYS A 4 7.132 3.967 -9.701 1.00 50.22 N ATOM 52 CA LYS A 4 6.811 4.116 -11.110 1.00 21.12 C ATOM 53 C LYS A 4 6.102 2.941 -11.735 1.00 43.35 C ATOM 54 O LYS A 4 6.366 1.785 -11.374 1.00 74.04 O ATOM 55 CB LYS A 4 8.089 4.445 -11.910 1.00 32.04 C ATOM 56 CG LYS A 4 8.717 5.810 -11.591 1.00 63.43 C ATOM 57 CD LYS A 4 8.257 6.917 -12.562 1.00 65.34 C ATOM 58 CE LYS A 4 6.739 7.125 -12.614 1.00 0.12 C ATOM 59 NZ LYS A 4 6.163 7.647 -11.357 1.00 2.10 N ATOM 0 H LYS A 4 7.635 3.114 -9.455 1.00 50.22 H new ATOM 0 HA LYS A 4 6.098 4.939 -11.156 1.00 21.12 H new ATOM 0 HB2 LYS A 4 8.829 3.668 -11.721 1.00 32.04 H new ATOM 0 HB3 LYS A 4 7.854 4.409 -12.974 1.00 32.04 H new ATOM 0 HG2 LYS A 4 8.458 6.096 -10.572 1.00 63.43 H new ATOM 0 HG3 LYS A 4 9.803 5.724 -11.632 1.00 63.43 H new ATOM 0 HD2 LYS A 4 8.730 7.856 -12.274 1.00 65.34 H new ATOM 0 HD3 LYS A 4 8.613 6.675 -13.564 1.00 65.34 H new ATOM 0 HE2 LYS A 4 6.504 7.815 -13.424 1.00 0.12 H new ATOM 0 HE3 LYS A 4 6.260 6.176 -12.855 1.00 0.12 H new ATOM 0 HZ1 LYS A 4 5.128 7.698 -11.444 1.00 2.10 H new ATOM 0 HZ2 LYS A 4 6.414 7.014 -10.571 1.00 2.10 H new ATOM 0 HZ3 LYS A 4 6.542 8.597 -11.170 1.00 2.10 H new ATOM 73 N ASP A 5 5.190 3.213 -12.653 1.00 22.14 N ATOM 74 CA ASP A 5 4.787 2.135 -13.537 1.00 45.10 C ATOM 75 C ASP A 5 5.685 2.225 -14.731 1.00 1.32 C ATOM 76 O ASP A 5 6.558 3.116 -14.755 1.00 15.34 O ATOM 77 CB ASP A 5 3.329 2.308 -14.022 1.00 13.33 C ATOM 78 CG ASP A 5 2.278 2.213 -12.943 1.00 71.45 C ATOM 79 OD1 ASP A 5 2.172 3.127 -12.091 1.00 54.45 O ATOM 80 OD2 ASP A 5 1.488 1.250 -12.961 1.00 12.05 O ATOM 0 H ASP A 5 4.738 4.115 -12.802 1.00 22.14 H new ATOM 0 HA ASP A 5 4.855 1.181 -13.013 1.00 45.10 H new ATOM 0 HB2 ASP A 5 3.238 3.278 -14.511 1.00 13.33 H new ATOM 0 HB3 ASP A 5 3.122 1.550 -14.777 1.00 13.33 H new ATOM 85 N ARG A 6 5.523 1.351 -15.705 1.00 50.34 N ATOM 86 CA ARG A 6 6.327 1.453 -16.904 1.00 24.14 C ATOM 87 C ARG A 6 6.200 2.859 -17.536 1.00 70.34 C ATOM 88 O ARG A 6 5.084 3.397 -17.687 1.00 74.34 O ATOM 89 CB ARG A 6 6.062 0.317 -17.905 1.00 53.12 C ATOM 90 CG ARG A 6 6.472 -1.049 -17.366 1.00 34.42 C ATOM 91 CD ARG A 6 6.411 -2.131 -18.427 1.00 52.13 C ATOM 92 NE ARG A 6 6.796 -3.452 -17.892 1.00 34.31 N ATOM 93 CZ ARG A 6 7.324 -4.455 -18.621 1.00 31.43 C ATOM 94 NH1 ARG A 6 7.707 -4.245 -19.885 1.00 71.44 N ATOM 95 NH2 ARG A 6 7.499 -5.654 -18.074 1.00 75.53 N ATOM 0 H ARG A 6 4.857 0.579 -15.691 1.00 50.34 H new ATOM 0 HA ARG A 6 7.368 1.325 -16.607 1.00 24.14 H new ATOM 0 HB2 ARG A 6 5.002 0.300 -18.157 1.00 53.12 H new ATOM 0 HB3 ARG A 6 6.606 0.517 -18.828 1.00 53.12 H new ATOM 0 HG2 ARG A 6 7.485 -0.991 -16.968 1.00 34.42 H new ATOM 0 HG3 ARG A 6 5.819 -1.320 -16.536 1.00 34.42 H new ATOM 0 HD2 ARG A 6 5.401 -2.185 -18.833 1.00 52.13 H new ATOM 0 HD3 ARG A 6 7.072 -1.867 -19.252 1.00 52.13 H new ATOM 0 HE ARG A 6 6.652 -3.618 -16.896 1.00 34.31 H new ATOM 0 HH11 ARG A 6 7.600 -3.321 -20.303 1.00 71.44 H new ATOM 0 HH12 ARG A 6 8.106 -5.009 -20.431 1.00 71.44 H new ATOM 0 HH21 ARG A 6 7.234 -5.815 -17.102 1.00 75.53 H new ATOM 0 HH22 ARG A 6 7.899 -6.413 -18.626 1.00 75.53 H new ATOM 109 N PRO A 7 7.374 3.434 -17.881 1.00 52.34 N ATOM 110 CA PRO A 7 7.616 4.786 -18.327 1.00 31.23 C ATOM 111 C PRO A 7 6.438 5.767 -18.474 1.00 70.31 C ATOM 112 O PRO A 7 6.235 6.581 -17.563 1.00 24.33 O ATOM 113 CB PRO A 7 8.389 4.518 -19.594 1.00 64.11 C ATOM 114 CG PRO A 7 9.245 3.326 -19.237 1.00 40.42 C ATOM 115 CD PRO A 7 8.649 2.733 -17.962 1.00 11.41 C ATOM 0 HA PRO A 7 8.129 5.368 -17.562 1.00 31.23 H new ATOM 0 HB2 PRO A 7 7.725 4.300 -20.431 1.00 64.11 H new ATOM 0 HB3 PRO A 7 8.996 5.376 -19.884 1.00 64.11 H new ATOM 0 HG2 PRO A 7 9.245 2.593 -20.043 1.00 40.42 H new ATOM 0 HG3 PRO A 7 10.281 3.625 -19.079 1.00 40.42 H new ATOM 0 HD2 PRO A 7 8.519 1.653 -18.034 1.00 11.41 H new ATOM 0 HD3 PRO A 7 9.276 2.921 -17.091 1.00 11.41 H new ATOM 123 N SER A 8 5.681 5.699 -19.557 1.00 43.51 N ATOM 124 CA SER A 8 4.612 6.667 -19.842 1.00 22.12 C ATOM 125 C SER A 8 5.214 8.121 -19.982 1.00 2.42 C ATOM 126 O SER A 8 5.639 8.486 -21.077 1.00 0.12 O ATOM 127 CB SER A 8 3.503 6.567 -18.784 1.00 74.53 C ATOM 128 OG SER A 8 3.040 5.217 -18.692 1.00 73.22 O ATOM 0 H SER A 8 5.783 4.975 -20.268 1.00 43.51 H new ATOM 0 HA SER A 8 4.147 6.430 -20.799 1.00 22.12 H new ATOM 0 HB2 SER A 8 3.880 6.898 -17.816 1.00 74.53 H new ATOM 0 HB3 SER A 8 2.677 7.227 -19.047 1.00 74.53 H new ATOM 0 HG SER A 8 3.750 4.652 -18.322 1.00 73.22 H new ATOM 134 N TYR A 9 5.254 8.930 -18.873 1.00 31.00 N ATOM 135 CA TYR A 9 6.005 10.248 -18.822 1.00 32.02 C ATOM 136 C TYR A 9 7.351 10.202 -19.455 1.00 25.00 C ATOM 137 O TYR A 9 7.771 11.094 -20.177 1.00 50.33 O ATOM 138 CB TYR A 9 6.151 10.756 -17.399 1.00 25.42 C ATOM 139 CG TYR A 9 4.862 11.176 -16.805 1.00 74.40 C ATOM 140 CD1 TYR A 9 3.953 11.805 -17.610 1.00 13.14 C ATOM 141 CD2 TYR A 9 4.560 10.992 -15.463 1.00 42.11 C ATOM 142 CE1 TYR A 9 2.751 12.252 -17.115 1.00 73.22 C ATOM 143 CE2 TYR A 9 3.359 11.440 -14.944 1.00 35.04 C ATOM 144 CZ TYR A 9 2.457 12.073 -15.779 1.00 63.51 C ATOM 145 OH TYR A 9 1.245 12.527 -15.276 1.00 74.32 O ATOM 0 H TYR A 9 4.778 8.699 -18.001 1.00 31.00 H new ATOM 0 HA TYR A 9 5.390 10.935 -19.404 1.00 32.02 H new ATOM 0 HB2 TYR A 9 6.592 9.973 -16.782 1.00 25.42 H new ATOM 0 HB3 TYR A 9 6.843 11.598 -17.388 1.00 25.42 H new ATOM 0 HD1 TYR A 9 4.184 11.953 -18.655 1.00 13.14 H new ATOM 0 HD2 TYR A 9 5.269 10.494 -14.818 1.00 42.11 H new ATOM 0 HE1 TYR A 9 2.042 12.740 -17.767 1.00 73.22 H new ATOM 0 HE2 TYR A 9 3.128 11.297 -13.899 1.00 35.04 H new ATOM 0 HH TYR A 9 1.191 12.323 -14.319 1.00 74.32 H new ATOM 155 N CYS A 10 7.989 9.144 -19.138 1.00 71.44 N ATOM 156 CA CYS A 10 9.311 8.950 -19.613 1.00 40.12 C ATOM 157 C CYS A 10 9.345 8.983 -21.169 1.00 14.10 C ATOM 158 O CYS A 10 10.221 9.543 -21.744 1.00 32.52 O ATOM 159 CB CYS A 10 9.726 7.595 -19.177 1.00 14.22 C ATOM 160 SG CYS A 10 9.525 7.356 -17.393 1.00 22.10 S ATOM 0 H CYS A 10 7.622 8.395 -18.551 1.00 71.44 H new ATOM 0 HA CYS A 10 9.964 9.733 -19.229 1.00 40.12 H new ATOM 0 HB2 CYS A 10 9.138 6.848 -19.710 1.00 14.22 H new ATOM 0 HB3 CYS A 10 10.769 7.432 -19.448 1.00 14.22 H new ATOM 165 N ASN A 11 8.303 8.531 -21.810 1.00 15.12 N ATOM 166 CA ASN A 11 8.304 8.397 -23.274 1.00 63.31 C ATOM 167 C ASN A 11 7.719 9.612 -23.938 1.00 53.00 C ATOM 168 O ASN A 11 7.588 9.640 -25.173 1.00 44.32 O ATOM 169 CB ASN A 11 7.559 7.206 -23.779 1.00 33.55 C ATOM 170 CG ASN A 11 7.985 5.890 -23.195 1.00 65.01 C ATOM 171 OD1 ASN A 11 7.447 5.466 -22.198 1.00 62.22 O ATOM 172 ND2 ASN A 11 8.915 5.223 -23.823 1.00 75.45 N ATOM 0 H ASN A 11 7.434 8.245 -21.359 1.00 15.12 H new ATOM 0 HA ASN A 11 9.357 8.277 -23.530 1.00 63.31 H new ATOM 0 HB2 ASN A 11 6.498 7.349 -23.576 1.00 33.55 H new ATOM 0 HB3 ASN A 11 7.673 7.159 -24.862 1.00 33.55 H new ATOM 0 HD21 ASN A 11 9.211 4.311 -23.476 1.00 75.45 H new ATOM 0 HD22 ASN A 11 9.345 5.614 -24.661 1.00 75.45 H new ATOM 179 N LEU A 12 7.345 10.601 -23.157 1.00 11.01 N ATOM 180 CA LEU A 12 6.617 11.735 -23.679 1.00 65.22 C ATOM 181 C LEU A 12 7.532 12.746 -24.342 1.00 73.51 C ATOM 182 O LEU A 12 8.570 13.129 -23.795 1.00 72.14 O ATOM 183 CB LEU A 12 5.755 12.398 -22.607 1.00 14.44 C ATOM 184 CG LEU A 12 4.605 11.564 -22.062 1.00 75.31 C ATOM 185 CD1 LEU A 12 3.833 12.358 -21.035 1.00 33.54 C ATOM 186 CD2 LEU A 12 3.685 11.131 -23.191 1.00 44.20 C ATOM 0 H LEU A 12 7.534 10.642 -22.155 1.00 11.01 H new ATOM 0 HA LEU A 12 5.950 11.346 -24.448 1.00 65.22 H new ATOM 0 HB2 LEU A 12 6.399 12.679 -21.774 1.00 14.44 H new ATOM 0 HB3 LEU A 12 5.345 13.320 -23.018 1.00 14.44 H new ATOM 0 HG LEU A 12 5.013 10.672 -21.586 1.00 75.31 H new ATOM 0 HD11 LEU A 12 3.012 11.754 -20.650 1.00 33.54 H new ATOM 0 HD12 LEU A 12 4.496 12.634 -20.215 1.00 33.54 H new ATOM 0 HD13 LEU A 12 3.434 13.260 -21.498 1.00 33.54 H new ATOM 0 HD21 LEU A 12 2.867 10.535 -22.786 1.00 44.20 H new ATOM 0 HD22 LEU A 12 3.280 12.012 -23.689 1.00 44.20 H new ATOM 0 HD23 LEU A 12 4.247 10.535 -23.910 1.00 44.20 H new ATOM 198 N PRO A 13 7.156 13.169 -25.550 1.00 74.41 N ATOM 199 CA PRO A 13 7.907 14.131 -26.328 1.00 35.23 C ATOM 200 C PRO A 13 7.753 15.547 -25.774 1.00 34.20 C ATOM 201 O PRO A 13 6.706 15.920 -25.229 1.00 14.12 O ATOM 202 CB PRO A 13 7.288 14.025 -27.733 1.00 72.45 C ATOM 203 CG PRO A 13 6.374 12.850 -27.678 1.00 21.12 C ATOM 204 CD PRO A 13 5.953 12.738 -26.259 1.00 21.30 C ATOM 0 HA PRO A 13 8.978 13.929 -26.314 1.00 35.23 H new ATOM 0 HB2 PRO A 13 6.744 14.933 -27.992 1.00 72.45 H new ATOM 0 HB3 PRO A 13 8.058 13.888 -28.492 1.00 72.45 H new ATOM 0 HG2 PRO A 13 5.514 12.992 -28.332 1.00 21.12 H new ATOM 0 HG3 PRO A 13 6.881 11.943 -28.009 1.00 21.12 H new ATOM 0 HD2 PRO A 13 5.097 13.375 -26.036 1.00 21.30 H new ATOM 0 HD3 PRO A 13 5.668 11.719 -25.997 1.00 21.30 H new ATOM 212 N ALA A 14 8.814 16.306 -25.919 1.00 51.32 N ATOM 213 CA ALA A 14 8.895 17.655 -25.411 1.00 23.01 C ATOM 214 C ALA A 14 7.956 18.591 -26.171 1.00 3.22 C ATOM 215 O ALA A 14 7.833 18.484 -27.402 1.00 35.22 O ATOM 216 CB ALA A 14 10.310 18.134 -25.531 1.00 32.41 C ATOM 0 H ALA A 14 9.659 15.998 -26.401 1.00 51.32 H new ATOM 0 HA ALA A 14 8.587 17.658 -24.365 1.00 23.01 H new ATOM 0 HB1 ALA A 14 10.383 19.153 -25.150 1.00 32.41 H new ATOM 0 HB2 ALA A 14 10.965 17.482 -24.953 1.00 32.41 H new ATOM 0 HB3 ALA A 14 10.613 18.116 -26.578 1.00 32.41 H new ATOM 222 N ASP A 15 7.356 19.525 -25.474 1.00 10.24 N ATOM 223 CA ASP A 15 6.593 20.595 -26.078 1.00 54.21 C ATOM 224 C ASP A 15 7.115 21.894 -25.542 1.00 73.23 C ATOM 225 O ASP A 15 7.125 22.123 -24.349 1.00 42.24 O ATOM 226 CB ASP A 15 5.060 20.462 -25.926 1.00 3.02 C ATOM 227 CG ASP A 15 4.490 19.286 -26.690 1.00 11.33 C ATOM 228 OD1 ASP A 15 4.446 18.158 -26.169 1.00 44.03 O ATOM 229 OD2 ASP A 15 4.099 19.475 -27.874 1.00 73.13 O ATOM 0 H ASP A 15 7.383 19.566 -24.455 1.00 10.24 H new ATOM 0 HA ASP A 15 6.736 20.545 -27.157 1.00 54.21 H new ATOM 0 HB2 ASP A 15 4.813 20.356 -24.870 1.00 3.02 H new ATOM 0 HB3 ASP A 15 4.585 21.379 -26.274 1.00 3.02 H new ATOM 234 N SER A 16 7.644 22.693 -26.401 1.00 24.52 N ATOM 235 CA SER A 16 8.347 23.856 -25.972 1.00 4.44 C ATOM 236 C SER A 16 7.462 25.101 -25.791 1.00 52.13 C ATOM 237 O SER A 16 7.767 25.973 -24.982 1.00 5.23 O ATOM 238 CB SER A 16 9.536 24.126 -26.881 1.00 34.23 C ATOM 239 OG SER A 16 9.146 24.257 -28.254 1.00 51.14 O ATOM 0 H SER A 16 7.604 22.563 -27.412 1.00 24.52 H new ATOM 0 HA SER A 16 8.715 23.637 -24.970 1.00 4.44 H new ATOM 0 HB2 SER A 16 10.038 25.038 -26.559 1.00 34.23 H new ATOM 0 HB3 SER A 16 10.257 23.314 -26.785 1.00 34.23 H new ATOM 0 HG SER A 16 9.938 24.431 -28.804 1.00 51.14 H new ATOM 245 N GLY A 17 6.337 25.162 -26.486 1.00 14.12 N ATOM 246 CA GLY A 17 5.564 26.388 -26.468 1.00 32.33 C ATOM 247 C GLY A 17 6.191 27.382 -27.385 1.00 74.41 C ATOM 248 O GLY A 17 7.200 27.142 -28.047 1.00 14.31 O ATOM 0 H GLY A 17 5.951 24.405 -27.050 1.00 14.12 H new ATOM 0 HA2 GLY A 17 4.538 26.189 -26.777 1.00 32.33 H new ATOM 0 HA3 GLY A 17 5.520 26.788 -25.455 1.00 32.33 H new ATOM 252 N SER A 18 5.486 28.506 -27.418 1.00 64.53 N ATOM 253 CA SER A 18 5.992 29.398 -28.515 1.00 74.31 C ATOM 254 C SER A 18 7.111 30.318 -27.909 1.00 40.23 C ATOM 255 O SER A 18 7.683 31.209 -28.543 1.00 21.31 O ATOM 256 CB SER A 18 4.817 30.204 -29.034 1.00 13.51 C ATOM 257 OG SER A 18 4.190 30.872 -27.944 1.00 22.42 O ATOM 0 H SER A 18 4.706 28.808 -26.834 1.00 64.53 H new ATOM 0 HA SER A 18 6.420 28.837 -29.345 1.00 74.31 H new ATOM 0 HB2 SER A 18 5.156 30.929 -29.774 1.00 13.51 H new ATOM 0 HB3 SER A 18 4.103 29.549 -29.534 1.00 13.51 H new ATOM 0 HG SER A 18 3.431 31.396 -28.275 1.00 22.42 H new ATOM 263 N GLY A 19 7.408 29.942 -26.703 1.00 53.10 N ATOM 264 CA GLY A 19 8.549 30.539 -26.073 1.00 15.45 C ATOM 265 C GLY A 19 8.240 31.647 -25.136 1.00 2.34 C ATOM 266 O GLY A 19 7.393 32.493 -25.402 1.00 34.15 O ATOM 0 H GLY A 19 6.900 29.251 -26.151 1.00 53.10 H new ATOM 0 HA2 GLY A 19 9.092 29.765 -25.530 1.00 15.45 H new ATOM 0 HA3 GLY A 19 9.218 30.914 -26.847 1.00 15.45 H new ATOM 270 N THR A 20 8.906 31.613 -24.033 1.00 14.04 N ATOM 271 CA THR A 20 8.930 32.617 -23.036 1.00 70.42 C ATOM 272 C THR A 20 10.253 32.545 -22.265 1.00 54.42 C ATOM 273 O THR A 20 11.004 33.518 -22.220 1.00 13.04 O ATOM 274 CB THR A 20 7.636 32.600 -22.176 1.00 74.20 C ATOM 275 OG1 THR A 20 6.409 32.977 -22.758 1.00 65.43 O ATOM 276 CG2 THR A 20 7.470 31.418 -21.225 1.00 44.03 C ATOM 0 H THR A 20 9.494 30.816 -23.790 1.00 14.04 H new ATOM 0 HA THR A 20 8.913 33.608 -23.490 1.00 70.42 H new ATOM 0 HB THR A 20 7.893 33.471 -21.573 1.00 74.20 H new ATOM 0 HG1 THR A 20 5.696 32.911 -22.089 1.00 65.43 H new ATOM 0 HG21 THR A 20 6.531 31.518 -20.681 1.00 44.03 H new ATOM 0 HG22 THR A 20 7.461 30.490 -21.796 1.00 44.03 H new ATOM 0 HG23 THR A 20 8.299 31.401 -20.518 1.00 44.03 H new ATOM 284 N LYS A 21 10.534 31.407 -21.704 1.00 1.44 N ATOM 285 CA LYS A 21 11.811 31.198 -21.050 1.00 53.21 C ATOM 286 C LYS A 21 12.598 30.163 -21.839 1.00 43.41 C ATOM 287 O LYS A 21 12.089 29.112 -22.123 1.00 64.44 O ATOM 288 CB LYS A 21 11.643 30.726 -19.599 1.00 70.31 C ATOM 289 CG LYS A 21 10.983 31.732 -18.675 1.00 13.12 C ATOM 290 CD LYS A 21 10.950 31.202 -17.253 1.00 23.34 C ATOM 291 CE LYS A 21 10.297 32.179 -16.295 1.00 41.21 C ATOM 292 NZ LYS A 21 10.275 31.647 -14.915 1.00 20.31 N ATOM 0 H LYS A 21 9.904 30.605 -21.681 1.00 1.44 H new ATOM 0 HA LYS A 21 12.344 32.149 -21.022 1.00 53.21 H new ATOM 0 HB2 LYS A 21 11.053 29.809 -19.596 1.00 70.31 H new ATOM 0 HB3 LYS A 21 12.625 30.475 -19.198 1.00 70.31 H new ATOM 0 HG2 LYS A 21 11.528 32.676 -18.706 1.00 13.12 H new ATOM 0 HG3 LYS A 21 9.969 31.938 -19.017 1.00 13.12 H new ATOM 0 HD2 LYS A 21 10.408 30.257 -17.231 1.00 23.34 H new ATOM 0 HD3 LYS A 21 11.967 30.994 -16.921 1.00 23.34 H new ATOM 0 HE2 LYS A 21 10.837 33.125 -16.313 1.00 41.21 H new ATOM 0 HE3 LYS A 21 9.279 32.387 -16.623 1.00 41.21 H new ATOM 0 HZ1 LYS A 21 9.822 32.338 -14.284 1.00 20.31 H new ATOM 0 HZ2 LYS A 21 9.739 30.756 -14.895 1.00 20.31 H new ATOM 0 HZ3 LYS A 21 11.249 31.472 -14.595 1.00 20.31 H new ATOM 306 N PRO A 22 13.799 30.486 -22.286 1.00 50.11 N ATOM 307 CA PRO A 22 14.667 29.544 -22.980 1.00 34.44 C ATOM 308 C PRO A 22 15.578 28.823 -21.984 1.00 73.05 C ATOM 309 O PRO A 22 16.533 29.426 -21.452 1.00 4.02 O ATOM 310 CB PRO A 22 15.505 30.459 -23.896 1.00 23.11 C ATOM 311 CG PRO A 22 15.181 31.878 -23.491 1.00 74.02 C ATOM 312 CD PRO A 22 14.421 31.802 -22.198 1.00 45.42 C ATOM 0 HA PRO A 22 14.120 28.769 -23.517 1.00 34.44 H new ATOM 0 HB2 PRO A 22 16.569 30.255 -23.780 1.00 23.11 H new ATOM 0 HB3 PRO A 22 15.260 30.289 -24.944 1.00 23.11 H new ATOM 0 HG2 PRO A 22 16.093 32.462 -23.369 1.00 74.02 H new ATOM 0 HG3 PRO A 22 14.587 32.372 -24.259 1.00 74.02 H new ATOM 0 HD2 PRO A 22 15.079 31.885 -21.333 1.00 45.42 H new ATOM 0 HD3 PRO A 22 13.681 32.598 -22.113 1.00 45.42 H new ATOM 320 N GLU A 23 15.320 27.562 -21.700 1.00 33.01 N ATOM 321 CA GLU A 23 16.066 26.821 -20.711 1.00 12.44 C ATOM 322 C GLU A 23 16.516 25.509 -21.307 1.00 55.31 C ATOM 323 O GLU A 23 15.894 25.017 -22.276 1.00 53.40 O ATOM 324 CB GLU A 23 15.164 26.473 -19.536 1.00 41.43 C ATOM 325 CG GLU A 23 14.460 27.633 -18.891 1.00 63.44 C ATOM 326 CD GLU A 23 13.682 27.195 -17.693 1.00 31.33 C ATOM 327 OE1 GLU A 23 12.822 26.295 -17.811 1.00 73.31 O ATOM 328 OE2 GLU A 23 13.952 27.705 -16.590 1.00 24.21 O ATOM 0 H GLU A 23 14.582 27.023 -22.153 1.00 33.01 H new ATOM 0 HA GLU A 23 16.911 27.430 -20.390 1.00 12.44 H new ATOM 0 HB2 GLU A 23 14.413 25.760 -19.876 1.00 41.43 H new ATOM 0 HB3 GLU A 23 15.763 25.968 -18.778 1.00 41.43 H new ATOM 0 HG2 GLU A 23 15.190 28.387 -18.598 1.00 63.44 H new ATOM 0 HG3 GLU A 23 13.790 28.101 -19.612 1.00 63.44 H new ATOM 335 N GLN A 24 17.570 24.925 -20.763 1.00 34.43 N ATOM 336 CA GLN A 24 17.843 23.551 -21.065 1.00 74.44 C ATOM 337 C GLN A 24 17.051 22.769 -20.102 1.00 13.21 C ATOM 338 O GLN A 24 17.086 23.059 -18.913 1.00 73.42 O ATOM 339 CB GLN A 24 19.293 23.125 -20.940 1.00 20.32 C ATOM 340 CG GLN A 24 20.241 23.783 -21.876 1.00 22.43 C ATOM 341 CD GLN A 24 20.762 25.089 -21.342 1.00 22.23 C ATOM 342 OE1 GLN A 24 20.196 26.151 -21.595 1.00 72.03 O ATOM 343 NE2 GLN A 24 21.821 25.016 -20.581 1.00 45.24 N ATOM 0 H GLN A 24 18.229 25.375 -20.128 1.00 34.43 H new ATOM 0 HA GLN A 24 17.591 23.389 -22.113 1.00 74.44 H new ATOM 0 HB2 GLN A 24 19.623 23.321 -19.920 1.00 20.32 H new ATOM 0 HB3 GLN A 24 19.350 22.047 -21.092 1.00 20.32 H new ATOM 0 HG2 GLN A 24 21.079 23.113 -22.071 1.00 22.43 H new ATOM 0 HG3 GLN A 24 19.743 23.957 -22.830 1.00 22.43 H new ATOM 0 HE21 GLN A 24 22.257 24.112 -20.399 1.00 45.24 H new ATOM 0 HE22 GLN A 24 22.212 25.863 -20.169 1.00 45.24 H new ATOM 352 N ARG A 25 16.366 21.804 -20.551 1.00 72.04 N ATOM 353 CA ARG A 25 15.657 20.901 -19.678 1.00 22.15 C ATOM 354 C ARG A 25 15.927 19.557 -20.167 1.00 14.15 C ATOM 355 O ARG A 25 16.532 19.447 -21.207 1.00 31.45 O ATOM 356 CB ARG A 25 14.200 21.140 -19.693 1.00 64.14 C ATOM 357 CG ARG A 25 13.771 22.489 -19.121 1.00 74.01 C ATOM 358 CD ARG A 25 14.315 22.700 -17.729 1.00 22.05 C ATOM 359 NE ARG A 25 13.660 23.799 -17.005 1.00 51.45 N ATOM 360 CZ ARG A 25 13.582 23.872 -15.672 1.00 61.44 C ATOM 361 NH1 ARG A 25 14.355 23.093 -14.916 1.00 10.30 N ATOM 362 NH2 ARG A 25 12.796 24.773 -15.100 1.00 21.52 N ATOM 0 H ARG A 25 16.264 21.594 -21.544 1.00 72.04 H new ATOM 0 HA ARG A 25 15.991 21.047 -18.651 1.00 22.15 H new ATOM 0 HB2 ARG A 25 13.844 21.066 -20.720 1.00 64.14 H new ATOM 0 HB3 ARG A 25 13.709 20.348 -19.127 1.00 64.14 H new ATOM 0 HG2 ARG A 25 14.120 23.289 -19.774 1.00 74.01 H new ATOM 0 HG3 ARG A 25 12.683 22.546 -19.100 1.00 74.01 H new ATOM 0 HD2 ARG A 25 14.198 21.779 -17.158 1.00 22.05 H new ATOM 0 HD3 ARG A 25 15.384 22.903 -17.792 1.00 22.05 H new ATOM 0 HE ARG A 25 13.240 24.551 -17.552 1.00 51.45 H new ATOM 0 HH11 ARG A 25 15.006 22.441 -15.354 1.00 10.30 H new ATOM 0 HH12 ARG A 25 14.296 23.148 -13.899 1.00 10.30 H new ATOM 0 HH21 ARG A 25 12.249 25.412 -15.677 1.00 21.52 H new ATOM 0 HH22 ARG A 25 12.738 24.827 -14.083 1.00 21.52 H new ATOM 376 N ILE A 26 15.459 18.529 -19.506 1.00 74.22 N ATOM 377 CA ILE A 26 15.926 17.224 -19.879 1.00 12.34 C ATOM 378 C ILE A 26 14.770 16.180 -19.848 1.00 54.42 C ATOM 379 O ILE A 26 13.991 16.165 -18.913 1.00 71.21 O ATOM 380 CB ILE A 26 16.988 16.779 -18.842 1.00 20.33 C ATOM 381 CG1 ILE A 26 18.072 17.836 -18.638 1.00 13.42 C ATOM 382 CG2 ILE A 26 17.675 15.581 -19.397 1.00 35.23 C ATOM 383 CD1 ILE A 26 18.845 17.651 -17.366 1.00 54.22 C ATOM 0 H ILE A 26 14.785 18.565 -18.741 1.00 74.22 H new ATOM 0 HA ILE A 26 16.333 17.275 -20.889 1.00 12.34 H new ATOM 0 HB ILE A 26 16.481 16.597 -17.894 1.00 20.33 H new ATOM 0 HG12 ILE A 26 18.761 17.808 -19.482 1.00 13.42 H new ATOM 0 HG13 ILE A 26 17.611 18.824 -18.635 1.00 13.42 H new ATOM 0 HG21 ILE A 26 18.433 15.237 -18.693 1.00 35.23 H new ATOM 0 HG22 ILE A 26 16.946 14.787 -19.562 1.00 35.23 H new ATOM 0 HG23 ILE A 26 18.150 15.840 -20.343 1.00 35.23 H new ATOM 0 HD11 ILE A 26 19.599 18.434 -17.281 1.00 54.22 H new ATOM 0 HD12 ILE A 26 18.165 17.708 -16.516 1.00 54.22 H new ATOM 0 HD13 ILE A 26 19.333 16.677 -17.375 1.00 54.22 H new ATOM 395 N TYR A 27 14.636 15.367 -20.887 1.00 42.25 N ATOM 396 CA TYR A 27 13.483 14.451 -21.013 1.00 62.32 C ATOM 397 C TYR A 27 14.046 13.099 -21.534 1.00 20.23 C ATOM 398 O TYR A 27 15.155 13.052 -22.092 1.00 13.30 O ATOM 399 CB TYR A 27 12.449 15.030 -22.026 1.00 2.53 C ATOM 400 CG TYR A 27 12.902 15.055 -23.459 1.00 14.42 C ATOM 401 CD1 TYR A 27 13.691 16.070 -23.952 1.00 34.43 C ATOM 402 CD2 TYR A 27 12.522 14.031 -24.324 1.00 22.45 C ATOM 403 CE1 TYR A 27 14.092 16.050 -25.277 1.00 51.41 C ATOM 404 CE2 TYR A 27 12.919 14.014 -25.632 1.00 5.50 C ATOM 405 CZ TYR A 27 13.706 15.021 -26.103 1.00 41.32 C ATOM 406 OH TYR A 27 14.099 15.021 -27.415 1.00 23.12 O ATOM 0 H TYR A 27 15.302 15.314 -21.658 1.00 42.25 H new ATOM 0 HA TYR A 27 12.974 14.322 -20.058 1.00 62.32 H new ATOM 0 HB2 TYR A 27 11.533 14.443 -21.961 1.00 2.53 H new ATOM 0 HB3 TYR A 27 12.198 16.047 -21.723 1.00 2.53 H new ATOM 0 HD1 TYR A 27 13.996 16.880 -23.306 1.00 34.43 H new ATOM 0 HD2 TYR A 27 11.899 13.231 -23.952 1.00 22.45 H new ATOM 0 HE1 TYR A 27 14.711 16.846 -25.663 1.00 51.41 H new ATOM 0 HE2 TYR A 27 12.612 13.211 -26.285 1.00 5.50 H new ATOM 0 HH TYR A 27 13.744 14.225 -27.863 1.00 23.12 H new ATOM 416 N TYR A 28 13.292 12.000 -21.339 1.00 22.34 N ATOM 417 CA TYR A 28 13.693 10.662 -21.787 1.00 11.14 C ATOM 418 C TYR A 28 13.326 10.512 -23.245 1.00 71.55 C ATOM 419 O TYR A 28 12.234 10.870 -23.664 1.00 20.02 O ATOM 420 CB TYR A 28 12.999 9.540 -20.940 1.00 12.31 C ATOM 421 CG TYR A 28 13.199 8.087 -21.368 1.00 60.42 C ATOM 422 CD1 TYR A 28 14.360 7.413 -21.131 1.00 40.04 C ATOM 423 CD2 TYR A 28 12.149 7.376 -21.901 1.00 3.21 C ATOM 424 CE1 TYR A 28 14.462 6.077 -21.399 1.00 63.51 C ATOM 425 CE2 TYR A 28 12.245 6.050 -22.192 1.00 5.42 C ATOM 426 CZ TYR A 28 13.401 5.403 -21.924 1.00 71.14 C ATOM 427 OH TYR A 28 13.488 4.063 -22.128 1.00 14.53 O ATOM 0 H TYR A 28 12.389 12.020 -20.866 1.00 22.34 H new ATOM 0 HA TYR A 28 14.769 10.553 -21.653 1.00 11.14 H new ATOM 0 HB2 TYR A 28 13.347 9.635 -19.911 1.00 12.31 H new ATOM 0 HB3 TYR A 28 11.928 9.741 -20.934 1.00 12.31 H new ATOM 0 HD1 TYR A 28 15.210 7.942 -20.726 1.00 40.04 H new ATOM 0 HD2 TYR A 28 11.218 7.887 -22.095 1.00 3.21 H new ATOM 0 HE1 TYR A 28 15.385 5.555 -21.194 1.00 63.51 H new ATOM 0 HE2 TYR A 28 11.410 5.523 -22.630 1.00 5.42 H new ATOM 0 HH TYR A 28 12.645 3.637 -21.867 1.00 14.53 H new ATOM 437 N ASN A 29 14.262 10.042 -23.993 1.00 10.51 N ATOM 438 CA ASN A 29 13.988 9.741 -25.381 1.00 32.31 C ATOM 439 C ASN A 29 13.130 8.536 -25.391 1.00 1.42 C ATOM 440 O ASN A 29 13.381 7.567 -24.705 1.00 20.01 O ATOM 441 CB ASN A 29 15.228 9.368 -26.134 1.00 0.32 C ATOM 442 CG ASN A 29 16.235 10.445 -26.280 1.00 65.23 C ATOM 443 OD1 ASN A 29 17.418 10.180 -26.265 1.00 30.21 O ATOM 444 ND2 ASN A 29 15.786 11.638 -26.531 1.00 61.43 N ATOM 0 H ASN A 29 15.217 9.855 -23.686 1.00 10.51 H new ATOM 0 HA ASN A 29 13.539 10.620 -25.843 1.00 32.31 H new ATOM 0 HB2 ASN A 29 15.697 8.522 -25.631 1.00 0.32 H new ATOM 0 HB3 ASN A 29 14.939 9.027 -27.128 1.00 0.32 H new ATOM 0 HD21 ASN A 29 16.438 12.398 -26.726 1.00 61.43 H new ATOM 0 HD22 ASN A 29 14.781 11.815 -26.533 1.00 61.43 H new ATOM 451 N SER A 30 12.222 8.558 -26.326 1.00 50.54 N ATOM 452 CA SER A 30 11.099 7.660 -26.450 1.00 73.14 C ATOM 453 C SER A 30 11.672 6.438 -27.202 1.00 5.42 C ATOM 454 O SER A 30 11.714 5.313 -26.709 1.00 72.13 O ATOM 455 CB SER A 30 10.054 8.360 -27.338 1.00 21.31 C ATOM 456 OG SER A 30 9.738 9.667 -26.838 1.00 72.31 O ATOM 0 H SER A 30 12.245 9.250 -27.075 1.00 50.54 H new ATOM 0 HA SER A 30 10.642 7.382 -25.500 1.00 73.14 H new ATOM 0 HB2 SER A 30 10.434 8.440 -28.357 1.00 21.31 H new ATOM 0 HB3 SER A 30 9.148 7.756 -27.382 1.00 21.31 H new ATOM 0 HG SER A 30 9.055 9.594 -26.139 1.00 72.31 H new ATOM 462 N ALA A 31 12.067 6.756 -28.439 1.00 13.44 N ATOM 463 CA ALA A 31 12.767 5.790 -29.295 1.00 63.54 C ATOM 464 C ALA A 31 14.039 5.230 -28.604 1.00 42.55 C ATOM 465 O ALA A 31 14.202 4.033 -28.352 1.00 61.42 O ATOM 466 CB ALA A 31 13.115 6.420 -30.638 1.00 52.13 C ATOM 0 H ALA A 31 11.916 7.669 -28.869 1.00 13.44 H new ATOM 0 HA ALA A 31 12.093 4.951 -29.468 1.00 63.54 H new ATOM 0 HB1 ALA A 31 13.633 5.690 -31.259 1.00 52.13 H new ATOM 0 HB2 ALA A 31 12.200 6.738 -31.139 1.00 52.13 H new ATOM 0 HB3 ALA A 31 13.761 7.284 -30.478 1.00 52.13 H new ATOM 472 N LYS A 32 14.892 6.204 -28.284 1.00 55.14 N ATOM 473 CA LYS A 32 16.349 6.021 -28.066 1.00 5.14 C ATOM 474 C LYS A 32 16.777 5.667 -26.655 1.00 4.41 C ATOM 475 O LYS A 32 17.920 5.285 -26.402 1.00 51.10 O ATOM 476 CB LYS A 32 17.037 7.320 -28.429 1.00 1.44 C ATOM 477 CG LYS A 32 16.654 7.795 -29.784 1.00 2.22 C ATOM 478 CD LYS A 32 17.444 8.989 -30.226 1.00 53.41 C ATOM 479 CE LYS A 32 16.930 9.484 -31.564 1.00 61.04 C ATOM 480 NZ LYS A 32 17.637 10.683 -32.028 1.00 52.41 N ATOM 0 H LYS A 32 14.592 7.172 -28.163 1.00 55.14 H new ATOM 0 HA LYS A 32 16.628 5.169 -28.686 1.00 5.14 H new ATOM 0 HB2 LYS A 32 16.783 8.082 -27.693 1.00 1.44 H new ATOM 0 HB3 LYS A 32 18.117 7.182 -28.385 1.00 1.44 H new ATOM 0 HG2 LYS A 32 16.795 6.986 -30.501 1.00 2.22 H new ATOM 0 HG3 LYS A 32 15.593 8.045 -29.790 1.00 2.22 H new ATOM 0 HD2 LYS A 32 17.368 9.782 -29.482 1.00 53.41 H new ATOM 0 HD3 LYS A 32 18.499 8.728 -30.306 1.00 53.41 H new ATOM 0 HE2 LYS A 32 17.037 8.693 -32.306 1.00 61.04 H new ATOM 0 HE3 LYS A 32 15.865 9.703 -31.482 1.00 61.04 H new ATOM 0 HZ1 LYS A 32 17.249 10.981 -32.946 1.00 52.41 H new ATOM 0 HZ2 LYS A 32 17.514 11.448 -31.335 1.00 52.41 H new ATOM 0 HZ3 LYS A 32 18.650 10.470 -32.133 1.00 52.41 H new ATOM 494 N LYS A 33 15.817 5.857 -25.775 1.00 42.22 N ATOM 495 CA LYS A 33 15.914 5.423 -24.378 1.00 0.23 C ATOM 496 C LYS A 33 17.100 6.040 -23.628 1.00 21.32 C ATOM 497 O LYS A 33 17.833 5.366 -22.918 1.00 74.11 O ATOM 498 CB LYS A 33 15.908 3.895 -24.293 1.00 12.03 C ATOM 499 CG LYS A 33 14.641 3.336 -24.886 1.00 3.20 C ATOM 500 CD LYS A 33 14.281 2.003 -24.320 1.00 63.51 C ATOM 501 CE LYS A 33 12.778 1.926 -24.280 1.00 21.02 C ATOM 502 NZ LYS A 33 12.283 0.736 -23.585 1.00 2.21 N ATOM 0 H LYS A 33 14.936 6.320 -26.001 1.00 42.22 H new ATOM 0 HA LYS A 33 15.029 5.800 -23.865 1.00 0.23 H new ATOM 0 HB2 LYS A 33 16.772 3.493 -24.822 1.00 12.03 H new ATOM 0 HB3 LYS A 33 15.998 3.583 -23.252 1.00 12.03 H new ATOM 0 HG2 LYS A 33 13.823 4.034 -24.710 1.00 3.20 H new ATOM 0 HG3 LYS A 33 14.758 3.248 -25.966 1.00 3.20 H new ATOM 0 HD2 LYS A 33 14.691 1.201 -24.934 1.00 63.51 H new ATOM 0 HD3 LYS A 33 14.699 1.884 -23.320 1.00 63.51 H new ATOM 0 HE2 LYS A 33 12.387 2.816 -23.787 1.00 21.02 H new ATOM 0 HE3 LYS A 33 12.392 1.931 -25.300 1.00 21.02 H new ATOM 0 HZ1 LYS A 33 11.243 0.739 -23.590 1.00 2.21 H new ATOM 0 HZ2 LYS A 33 12.629 -0.117 -24.068 1.00 2.21 H new ATOM 0 HZ3 LYS A 33 12.624 0.741 -22.603 1.00 2.21 H new ATOM 516 N GLN A 34 17.245 7.323 -23.810 1.00 0.45 N ATOM 517 CA GLN A 34 18.312 8.118 -23.217 1.00 20.32 C ATOM 518 C GLN A 34 17.659 9.288 -22.498 1.00 65.13 C ATOM 519 O GLN A 34 16.451 9.415 -22.515 1.00 22.24 O ATOM 520 CB GLN A 34 19.257 8.617 -24.319 1.00 25.35 C ATOM 521 CG GLN A 34 19.979 7.506 -25.062 1.00 12.22 C ATOM 522 CD GLN A 34 20.924 6.733 -24.170 1.00 11.50 C ATOM 523 OE1 GLN A 34 21.495 7.285 -23.223 1.00 24.43 O ATOM 524 NE2 GLN A 34 21.080 5.464 -24.433 1.00 2.51 N ATOM 0 H GLN A 34 16.611 7.871 -24.391 1.00 0.45 H new ATOM 0 HA GLN A 34 18.900 7.527 -22.515 1.00 20.32 H new ATOM 0 HB2 GLN A 34 18.685 9.207 -25.035 1.00 25.35 H new ATOM 0 HB3 GLN A 34 19.996 9.284 -23.875 1.00 25.35 H new ATOM 0 HG2 GLN A 34 19.245 6.822 -25.488 1.00 12.22 H new ATOM 0 HG3 GLN A 34 20.538 7.933 -25.895 1.00 12.22 H new ATOM 0 HE21 GLN A 34 20.592 5.043 -25.224 1.00 2.51 H new ATOM 0 HE22 GLN A 34 21.690 4.893 -23.848 1.00 2.51 H new ATOM 533 N CYS A 35 18.485 10.220 -22.041 1.00 44.42 N ATOM 534 CA CYS A 35 17.975 11.357 -21.263 1.00 44.13 C ATOM 535 C CYS A 35 18.656 12.491 -21.892 1.00 2.02 C ATOM 536 O CYS A 35 19.844 12.720 -21.616 1.00 54.21 O ATOM 537 CB CYS A 35 18.427 11.272 -19.760 1.00 24.25 C ATOM 538 SG CYS A 35 17.849 12.661 -18.689 1.00 3.43 S ATOM 0 H CYS A 35 19.494 10.219 -22.188 1.00 44.42 H new ATOM 0 HA CYS A 35 16.886 11.410 -21.260 1.00 44.13 H new ATOM 0 HB2 CYS A 35 18.064 10.334 -19.340 1.00 24.25 H new ATOM 0 HB3 CYS A 35 19.516 11.236 -19.726 1.00 24.25 H new ATOM 543 N VAL A 36 18.022 13.197 -22.785 1.00 22.00 N ATOM 544 CA VAL A 36 18.612 14.261 -23.492 1.00 0.33 C ATOM 545 C VAL A 36 17.880 15.545 -23.127 1.00 14.04 C ATOM 546 O VAL A 36 16.784 15.517 -22.578 1.00 4.40 O ATOM 547 CB VAL A 36 18.465 14.059 -25.031 1.00 15.42 C ATOM 548 CG1 VAL A 36 18.988 12.713 -25.482 1.00 44.12 C ATOM 549 CG2 VAL A 36 17.031 14.206 -25.470 1.00 23.41 C ATOM 0 H VAL A 36 17.048 13.029 -23.038 1.00 22.00 H new ATOM 0 HA VAL A 36 19.669 14.306 -23.232 1.00 0.33 H new ATOM 0 HB VAL A 36 19.067 14.838 -25.499 1.00 15.42 H new ATOM 0 HG11 VAL A 36 18.865 12.618 -26.561 1.00 44.12 H new ATOM 0 HG12 VAL A 36 20.045 12.630 -25.229 1.00 44.12 H new ATOM 0 HG13 VAL A 36 18.432 11.920 -24.982 1.00 44.12 H new ATOM 0 HG21 VAL A 36 16.964 14.059 -26.548 1.00 23.41 H new ATOM 0 HG22 VAL A 36 16.417 13.461 -24.963 1.00 23.41 H new ATOM 0 HG23 VAL A 36 16.673 15.204 -25.217 1.00 23.41 H new ATOM 559 N THR A 37 18.484 16.638 -23.430 1.00 51.53 N ATOM 560 CA THR A 37 17.891 17.904 -23.171 1.00 5.42 C ATOM 561 C THR A 37 16.916 18.334 -24.259 1.00 1.50 C ATOM 562 O THR A 37 16.978 17.856 -25.399 1.00 75.02 O ATOM 563 CB THR A 37 18.962 18.989 -22.992 1.00 73.32 C ATOM 564 OG1 THR A 37 19.840 19.011 -24.125 1.00 52.43 O ATOM 565 CG2 THR A 37 19.742 18.763 -21.725 1.00 51.22 C ATOM 0 H THR A 37 19.405 16.682 -23.865 1.00 51.53 H new ATOM 0 HA THR A 37 17.328 17.787 -22.245 1.00 5.42 H new ATOM 0 HB THR A 37 18.464 19.956 -22.917 1.00 73.32 H new ATOM 0 HG1 THR A 37 20.518 19.708 -24.000 1.00 52.43 H new ATOM 0 HG21 THR A 37 20.496 19.543 -21.618 1.00 51.22 H new ATOM 0 HG22 THR A 37 19.065 18.792 -20.871 1.00 51.22 H new ATOM 0 HG23 THR A 37 20.231 17.790 -21.767 1.00 51.22 H new ATOM 573 N PHE A 38 16.051 19.260 -23.901 1.00 64.04 N ATOM 574 CA PHE A 38 15.125 19.805 -24.816 1.00 71.23 C ATOM 575 C PHE A 38 15.021 21.252 -24.587 1.00 70.12 C ATOM 576 O PHE A 38 15.454 21.781 -23.537 1.00 54.41 O ATOM 577 CB PHE A 38 13.738 19.224 -24.731 1.00 42.22 C ATOM 578 CG PHE A 38 12.900 19.466 -23.525 1.00 31.03 C ATOM 579 CD1 PHE A 38 13.040 18.769 -22.349 1.00 15.04 C ATOM 580 CD2 PHE A 38 11.897 20.386 -23.638 1.00 3.54 C ATOM 581 CE1 PHE A 38 12.176 19.006 -21.305 1.00 54.43 C ATOM 582 CE2 PHE A 38 11.045 20.646 -22.630 1.00 34.43 C ATOM 583 CZ PHE A 38 11.175 19.953 -21.445 1.00 70.14 C ATOM 0 H PHE A 38 15.986 19.644 -22.958 1.00 64.04 H new ATOM 0 HA PHE A 38 15.511 19.560 -25.806 1.00 71.23 H new ATOM 0 HB2 PHE A 38 13.180 19.592 -25.592 1.00 42.22 H new ATOM 0 HB3 PHE A 38 13.831 18.144 -24.849 1.00 42.22 H new ATOM 0 HD1 PHE A 38 13.827 18.037 -22.245 1.00 15.04 H new ATOM 0 HD2 PHE A 38 11.784 20.923 -24.568 1.00 3.54 H new ATOM 0 HE1 PHE A 38 12.278 18.456 -20.381 1.00 54.43 H new ATOM 0 HE2 PHE A 38 10.269 21.388 -22.747 1.00 34.43 H new ATOM 0 HZ PHE A 38 10.497 20.148 -20.627 1.00 70.14 H new ATOM 593 N THR A 39 14.505 21.889 -25.560 1.00 23.05 N ATOM 594 CA THR A 39 14.241 23.285 -25.545 1.00 0.11 C ATOM 595 C THR A 39 12.951 23.477 -24.768 1.00 71.34 C ATOM 596 O THR A 39 11.872 23.120 -25.255 1.00 55.42 O ATOM 597 CB THR A 39 13.969 23.734 -26.977 1.00 44.51 C ATOM 598 OG1 THR A 39 15.071 23.334 -27.818 1.00 74.24 O ATOM 599 CG2 THR A 39 13.788 25.242 -27.066 1.00 4.42 C ATOM 0 H THR A 39 14.239 21.438 -26.435 1.00 23.05 H new ATOM 0 HA THR A 39 15.073 23.840 -25.112 1.00 0.11 H new ATOM 0 HB THR A 39 13.045 23.263 -27.311 1.00 44.51 H new ATOM 0 HG1 THR A 39 14.899 23.619 -28.740 1.00 74.24 H new ATOM 0 HG21 THR A 39 13.596 25.525 -28.101 1.00 4.42 H new ATOM 0 HG22 THR A 39 12.945 25.545 -26.445 1.00 4.42 H new ATOM 0 HG23 THR A 39 14.693 25.738 -26.716 1.00 4.42 H new ATOM 607 N TYR A 40 13.054 23.951 -23.572 1.00 75.33 N ATOM 608 CA TYR A 40 11.864 24.181 -22.822 1.00 23.10 C ATOM 609 C TYR A 40 11.549 25.623 -22.846 1.00 61.21 C ATOM 610 O TYR A 40 12.323 26.408 -22.319 1.00 21.12 O ATOM 611 CB TYR A 40 12.020 23.693 -21.385 1.00 71.43 C ATOM 612 CG TYR A 40 10.794 23.816 -20.438 1.00 11.25 C ATOM 613 CD1 TYR A 40 10.478 25.026 -19.823 1.00 54.10 C ATOM 614 CD2 TYR A 40 9.980 22.702 -20.128 1.00 23.20 C ATOM 615 CE1 TYR A 40 9.406 25.133 -18.954 1.00 51.41 C ATOM 616 CE2 TYR A 40 8.912 22.818 -19.266 1.00 31.30 C ATOM 617 CZ TYR A 40 8.627 24.028 -18.685 1.00 13.44 C ATOM 618 OH TYR A 40 7.558 24.130 -17.819 1.00 5.50 O ATOM 0 H TYR A 40 13.928 24.183 -23.100 1.00 75.33 H new ATOM 0 HA TYR A 40 11.046 23.621 -23.274 1.00 23.10 H new ATOM 0 HB2 TYR A 40 12.313 22.644 -21.418 1.00 71.43 H new ATOM 0 HB3 TYR A 40 12.847 24.241 -20.934 1.00 71.43 H new ATOM 0 HD1 TYR A 40 11.082 25.898 -20.029 1.00 54.10 H new ATOM 0 HD2 TYR A 40 10.200 21.744 -20.575 1.00 23.20 H new ATOM 0 HE1 TYR A 40 9.180 26.081 -18.488 1.00 51.41 H new ATOM 0 HE2 TYR A 40 8.299 21.956 -19.047 1.00 31.30 H new ATOM 0 HH TYR A 40 7.115 23.259 -17.742 1.00 5.50 H new ATOM 628 N ASN A 41 10.521 25.998 -23.544 1.00 23.12 N ATOM 629 CA ASN A 41 10.232 27.385 -23.671 1.00 41.13 C ATOM 630 C ASN A 41 9.230 27.863 -22.712 1.00 71.21 C ATOM 631 O ASN A 41 9.092 29.071 -22.497 1.00 11.14 O ATOM 632 CB ASN A 41 10.070 27.894 -25.094 1.00 12.33 C ATOM 633 CG ASN A 41 11.363 27.850 -25.898 1.00 2.03 C ATOM 634 OD1 ASN A 41 11.348 27.692 -27.114 1.00 70.12 O ATOM 635 ND2 ASN A 41 12.489 28.009 -25.229 1.00 15.40 N ATOM 0 H ASN A 41 9.879 25.370 -24.027 1.00 23.12 H new ATOM 0 HA ASN A 41 11.155 27.880 -23.367 1.00 41.13 H new ATOM 0 HB2 ASN A 41 9.313 27.297 -25.603 1.00 12.33 H new ATOM 0 HB3 ASN A 41 9.702 28.919 -25.066 1.00 12.33 H new ATOM 0 HD21 ASN A 41 13.381 28.003 -25.723 1.00 15.40 H new ATOM 0 HD22 ASN A 41 12.467 28.138 -24.217 1.00 15.40 H new ATOM 642 N GLY A 42 8.476 26.945 -22.172 1.00 53.21 N ATOM 643 CA GLY A 42 7.740 27.284 -21.029 1.00 0.52 C ATOM 644 C GLY A 42 6.314 27.684 -21.186 1.00 74.41 C ATOM 645 O GLY A 42 5.790 28.279 -20.240 1.00 44.23 O ATOM 0 H GLY A 42 8.369 25.988 -22.507 1.00 53.21 H new ATOM 0 HA2 GLY A 42 7.771 26.431 -20.352 1.00 0.52 H new ATOM 0 HA3 GLY A 42 8.260 28.104 -20.533 1.00 0.52 H new ATOM 649 N LYS A 43 5.616 27.455 -22.302 1.00 22.40 N ATOM 650 CA LYS A 43 4.227 27.823 -22.413 1.00 54.34 C ATOM 651 C LYS A 43 3.436 26.606 -22.929 1.00 25.24 C ATOM 652 O LYS A 43 3.551 25.491 -22.424 1.00 55.33 O ATOM 653 CB LYS A 43 4.094 28.927 -23.525 1.00 24.01 C ATOM 654 CG LYS A 43 4.961 30.141 -23.428 1.00 20.33 C ATOM 655 CD LYS A 43 4.424 31.259 -24.324 1.00 51.33 C ATOM 656 CE LYS A 43 3.056 31.730 -23.852 1.00 4.12 C ATOM 657 NZ LYS A 43 2.562 32.898 -24.601 1.00 62.11 N ATOM 0 H LYS A 43 6.004 27.014 -23.136 1.00 22.40 H new ATOM 0 HA LYS A 43 3.860 28.167 -21.446 1.00 54.34 H new ATOM 0 HB2 LYS A 43 4.291 28.454 -24.487 1.00 24.01 H new ATOM 0 HB3 LYS A 43 3.056 29.260 -23.540 1.00 24.01 H new ATOM 0 HG2 LYS A 43 5.002 30.484 -22.394 1.00 20.33 H new ATOM 0 HG3 LYS A 43 5.981 29.891 -23.721 1.00 20.33 H new ATOM 0 HD2 LYS A 43 5.121 32.097 -24.322 1.00 51.33 H new ATOM 0 HD3 LYS A 43 4.355 30.904 -25.352 1.00 51.33 H new ATOM 0 HE2 LYS A 43 2.342 30.913 -23.951 1.00 4.12 H new ATOM 0 HE3 LYS A 43 3.109 31.980 -22.792 1.00 4.12 H new ATOM 0 HZ1 LYS A 43 1.628 33.174 -24.237 1.00 62.11 H new ATOM 0 HZ2 LYS A 43 3.226 33.690 -24.487 1.00 62.11 H new ATOM 0 HZ3 LYS A 43 2.483 32.656 -25.609 1.00 62.11 H new ATOM 671 N GLY A 44 2.640 26.960 -23.921 1.00 4.43 N ATOM 672 CA GLY A 44 1.919 26.045 -24.780 1.00 70.24 C ATOM 673 C GLY A 44 2.228 24.565 -24.723 1.00 51.21 C ATOM 674 O GLY A 44 3.307 24.110 -25.127 1.00 10.51 O ATOM 0 H GLY A 44 2.472 27.938 -24.159 1.00 4.43 H new ATOM 0 HA2 GLY A 44 0.857 26.165 -24.566 1.00 70.24 H new ATOM 0 HA3 GLY A 44 2.075 26.371 -25.808 1.00 70.24 H new ATOM 678 N GLY A 45 1.242 23.837 -24.280 1.00 15.13 N ATOM 679 CA GLY A 45 1.302 22.423 -24.356 1.00 44.33 C ATOM 680 C GLY A 45 1.984 21.732 -23.213 1.00 31.32 C ATOM 681 O GLY A 45 1.882 22.126 -22.045 1.00 74.41 O ATOM 0 H GLY A 45 0.389 24.210 -23.863 1.00 15.13 H new ATOM 0 HA2 GLY A 45 0.285 22.039 -24.432 1.00 44.33 H new ATOM 0 HA3 GLY A 45 1.815 22.150 -25.278 1.00 44.33 H new ATOM 685 N ASN A 46 2.593 20.630 -23.591 1.00 65.52 N ATOM 686 CA ASN A 46 3.284 19.828 -22.587 1.00 2.13 C ATOM 687 C ASN A 46 4.501 20.404 -21.930 1.00 3.14 C ATOM 688 O ASN A 46 5.302 21.137 -22.477 1.00 64.01 O ATOM 689 CB ASN A 46 3.618 18.428 -23.093 1.00 55.50 C ATOM 690 CG ASN A 46 2.412 17.566 -23.368 1.00 3.44 C ATOM 691 OD1 ASN A 46 1.366 17.683 -22.714 1.00 30.13 O ATOM 692 ND2 ASN A 46 2.540 16.711 -24.333 1.00 3.35 N ATOM 0 H ASN A 46 2.629 20.273 -24.546 1.00 65.52 H new ATOM 0 HA ASN A 46 2.530 19.806 -21.801 1.00 2.13 H new ATOM 0 HB2 ASN A 46 4.205 18.515 -24.008 1.00 55.50 H new ATOM 0 HB3 ASN A 46 4.247 17.928 -22.357 1.00 55.50 H new ATOM 0 HD21 ASN A 46 1.761 16.101 -24.580 1.00 3.35 H new ATOM 0 HD22 ASN A 46 3.420 16.648 -24.845 1.00 3.35 H new ATOM 699 N GLY A 47 4.561 19.978 -20.707 1.00 22.34 N ATOM 700 CA GLY A 47 5.644 20.311 -19.855 1.00 22.52 C ATOM 701 C GLY A 47 6.304 19.094 -19.350 1.00 31.33 C ATOM 702 O GLY A 47 6.638 19.003 -18.165 1.00 4.11 O ATOM 0 H GLY A 47 3.852 19.386 -20.275 1.00 22.34 H new ATOM 0 HA2 GLY A 47 6.365 20.923 -20.397 1.00 22.52 H new ATOM 0 HA3 GLY A 47 5.284 20.909 -19.018 1.00 22.52 H new ATOM 706 N ASN A 48 6.429 18.120 -20.224 1.00 61.21 N ATOM 707 CA ASN A 48 7.147 16.925 -19.886 1.00 32.52 C ATOM 708 C ASN A 48 8.611 17.255 -19.847 1.00 24.44 C ATOM 709 O ASN A 48 9.268 17.407 -20.875 1.00 53.12 O ATOM 710 CB ASN A 48 6.850 15.776 -20.841 1.00 24.12 C ATOM 711 CG ASN A 48 7.512 14.489 -20.386 1.00 14.31 C ATOM 712 OD1 ASN A 48 6.973 13.787 -19.543 1.00 4.52 O ATOM 713 ND2 ASN A 48 8.635 14.143 -20.964 1.00 22.00 N ATOM 0 H ASN A 48 6.043 18.137 -21.168 1.00 61.21 H new ATOM 0 HA ASN A 48 6.820 16.576 -18.907 1.00 32.52 H new ATOM 0 HB2 ASN A 48 5.772 15.628 -20.909 1.00 24.12 H new ATOM 0 HB3 ASN A 48 7.200 16.033 -21.841 1.00 24.12 H new ATOM 0 HD21 ASN A 48 9.087 13.263 -20.714 1.00 22.00 H new ATOM 0 HD22 ASN A 48 9.058 14.753 -21.664 1.00 22.00 H new ATOM 720 N ASN A 49 9.084 17.365 -18.658 1.00 34.53 N ATOM 721 CA ASN A 49 10.380 17.838 -18.341 1.00 12.41 C ATOM 722 C ASN A 49 10.844 17.148 -17.106 1.00 75.14 C ATOM 723 O ASN A 49 10.075 17.013 -16.156 1.00 44.21 O ATOM 724 CB ASN A 49 10.273 19.343 -18.045 1.00 34.12 C ATOM 725 CG ASN A 49 11.551 19.966 -17.524 1.00 23.15 C ATOM 726 OD1 ASN A 49 12.648 19.516 -17.815 1.00 62.32 O ATOM 727 ND2 ASN A 49 11.408 21.017 -16.738 1.00 4.22 N ATOM 0 H ASN A 49 8.542 17.111 -17.832 1.00 34.53 H new ATOM 0 HA ASN A 49 11.073 17.652 -19.162 1.00 12.41 H new ATOM 0 HB2 ASN A 49 9.975 19.861 -18.957 1.00 34.12 H new ATOM 0 HB3 ASN A 49 9.480 19.503 -17.314 1.00 34.12 H new ATOM 0 HD21 ASN A 49 12.230 21.481 -16.352 1.00 4.22 H new ATOM 0 HD22 ASN A 49 10.475 21.365 -16.517 1.00 4.22 H new ATOM 734 N PHE A 50 12.052 16.686 -17.101 1.00 2.30 N ATOM 735 CA PHE A 50 12.624 16.168 -15.907 1.00 73.31 C ATOM 736 C PHE A 50 13.648 17.183 -15.471 1.00 23.02 C ATOM 737 O PHE A 50 14.726 17.320 -16.041 1.00 22.31 O ATOM 738 CB PHE A 50 13.175 14.737 -16.097 1.00 13.23 C ATOM 739 CG PHE A 50 12.112 13.812 -16.638 1.00 14.04 C ATOM 740 CD1 PHE A 50 11.037 13.428 -15.848 1.00 70.50 C ATOM 741 CD2 PHE A 50 12.168 13.360 -17.947 1.00 31.23 C ATOM 742 CE1 PHE A 50 10.042 12.616 -16.356 1.00 62.24 C ATOM 743 CE2 PHE A 50 11.180 12.542 -18.457 1.00 2.23 C ATOM 744 CZ PHE A 50 10.114 12.172 -17.663 1.00 53.41 C ATOM 0 H PHE A 50 12.663 16.658 -17.917 1.00 2.30 H new ATOM 0 HA PHE A 50 11.882 16.037 -15.119 1.00 73.31 H new ATOM 0 HB2 PHE A 50 14.024 14.759 -16.780 1.00 13.23 H new ATOM 0 HB3 PHE A 50 13.542 14.356 -15.144 1.00 13.23 H new ATOM 0 HD1 PHE A 50 10.978 13.768 -14.825 1.00 70.50 H new ATOM 0 HD2 PHE A 50 12.996 13.652 -18.576 1.00 31.23 H new ATOM 0 HE1 PHE A 50 9.208 12.328 -15.733 1.00 62.24 H new ATOM 0 HE2 PHE A 50 11.241 12.192 -19.477 1.00 2.23 H new ATOM 0 HZ PHE A 50 9.337 11.537 -18.062 1.00 53.41 H new ATOM 754 N SER A 51 13.244 17.905 -14.463 1.00 40.20 N ATOM 755 CA SER A 51 13.898 19.145 -14.129 1.00 62.11 C ATOM 756 C SER A 51 15.111 18.918 -13.239 1.00 45.53 C ATOM 757 O SER A 51 15.907 19.843 -13.011 1.00 23.43 O ATOM 758 CB SER A 51 12.876 20.091 -13.492 1.00 51.10 C ATOM 759 OG SER A 51 12.222 19.472 -12.389 1.00 50.53 O ATOM 0 H SER A 51 12.463 17.657 -13.855 1.00 40.20 H new ATOM 0 HA SER A 51 14.281 19.608 -15.038 1.00 62.11 H new ATOM 0 HB2 SER A 51 13.376 21.000 -13.159 1.00 51.10 H new ATOM 0 HB3 SER A 51 12.137 20.388 -14.237 1.00 51.10 H new ATOM 0 HG SER A 51 11.576 20.097 -11.999 1.00 50.53 H new ATOM 765 N ARG A 52 15.280 17.711 -12.770 1.00 65.44 N ATOM 766 CA ARG A 52 16.449 17.364 -12.010 1.00 42.14 C ATOM 767 C ARG A 52 17.113 16.235 -12.789 1.00 62.30 C ATOM 768 O ARG A 52 16.442 15.302 -13.261 1.00 43.15 O ATOM 769 CB ARG A 52 16.067 16.856 -10.623 1.00 2.11 C ATOM 770 CG ARG A 52 15.165 17.762 -9.791 1.00 32.31 C ATOM 771 CD ARG A 52 15.755 19.129 -9.524 1.00 40.12 C ATOM 772 NE ARG A 52 14.888 19.891 -8.618 1.00 32.24 N ATOM 773 CZ ARG A 52 14.614 21.202 -8.697 1.00 13.31 C ATOM 774 NH1 ARG A 52 15.207 21.974 -9.612 1.00 62.35 N ATOM 775 NH2 ARG A 52 13.768 21.739 -7.833 1.00 45.31 N ATOM 0 H ARG A 52 14.617 16.947 -12.903 1.00 65.44 H new ATOM 0 HA ARG A 52 17.101 18.227 -11.874 1.00 42.14 H new ATOM 0 HB2 ARG A 52 15.571 15.892 -10.737 1.00 2.11 H new ATOM 0 HB3 ARG A 52 16.984 16.678 -10.061 1.00 2.11 H new ATOM 0 HG2 ARG A 52 14.212 17.882 -10.305 1.00 32.31 H new ATOM 0 HG3 ARG A 52 14.954 17.275 -8.839 1.00 32.31 H new ATOM 0 HD2 ARG A 52 16.748 19.025 -9.086 1.00 40.12 H new ATOM 0 HD3 ARG A 52 15.876 19.670 -10.463 1.00 40.12 H new ATOM 0 HE ARG A 52 14.452 19.374 -7.855 1.00 32.24 H new ATOM 0 HH11 ARG A 52 15.879 21.568 -10.263 1.00 62.35 H new ATOM 0 HH12 ARG A 52 14.988 22.969 -9.659 1.00 62.35 H new ATOM 0 HH21 ARG A 52 13.332 21.157 -7.117 1.00 45.31 H new ATOM 0 HH22 ARG A 52 13.552 22.735 -7.883 1.00 45.31 H new ATOM 789 N THR A 53 18.417 16.337 -12.920 1.00 3.02 N ATOM 790 CA THR A 53 19.233 15.457 -13.739 1.00 70.02 C ATOM 791 C THR A 53 19.171 13.976 -13.279 1.00 75.20 C ATOM 792 O THR A 53 19.119 13.068 -14.104 1.00 54.35 O ATOM 793 CB THR A 53 20.680 15.979 -13.742 1.00 52.50 C ATOM 794 OG1 THR A 53 20.662 17.368 -14.159 1.00 32.30 O ATOM 795 CG2 THR A 53 21.547 15.180 -14.709 1.00 4.04 C ATOM 0 H THR A 53 18.960 17.058 -12.445 1.00 3.02 H new ATOM 0 HA THR A 53 18.832 15.468 -14.753 1.00 70.02 H new ATOM 0 HB THR A 53 21.099 15.876 -12.741 1.00 52.50 H new ATOM 0 HG1 THR A 53 21.577 17.719 -14.165 1.00 32.30 H new ATOM 0 HG21 THR A 53 22.565 15.569 -14.692 1.00 4.04 H new ATOM 0 HG22 THR A 53 21.554 14.132 -14.410 1.00 4.04 H new ATOM 0 HG23 THR A 53 21.142 15.267 -15.717 1.00 4.04 H new ATOM 803 N ASN A 54 19.147 13.745 -11.973 1.00 25.41 N ATOM 804 CA ASN A 54 18.997 12.372 -11.436 1.00 64.14 C ATOM 805 C ASN A 54 17.546 11.975 -11.463 1.00 55.33 C ATOM 806 O ASN A 54 17.199 10.805 -11.406 1.00 40.42 O ATOM 807 CB ASN A 54 19.521 12.215 -10.007 1.00 14.34 C ATOM 808 CG ASN A 54 21.010 12.407 -9.859 1.00 41.32 C ATOM 809 OD1 ASN A 54 21.792 12.179 -10.787 1.00 21.33 O ATOM 810 ND2 ASN A 54 21.419 12.792 -8.686 1.00 52.00 N ATOM 0 H ASN A 54 19.227 14.472 -11.262 1.00 25.41 H new ATOM 0 HA ASN A 54 19.598 11.725 -12.075 1.00 64.14 H new ATOM 0 HB2 ASN A 54 19.010 12.933 -9.366 1.00 14.34 H new ATOM 0 HB3 ASN A 54 19.258 11.221 -9.645 1.00 14.34 H new ATOM 0 HD21 ASN A 54 22.416 12.915 -8.509 1.00 52.00 H new ATOM 0 HD22 ASN A 54 20.743 12.971 -7.944 1.00 52.00 H new ATOM 817 N ASP A 55 16.727 12.968 -11.652 1.00 45.31 N ATOM 818 CA ASP A 55 15.306 12.685 -11.611 1.00 63.52 C ATOM 819 C ASP A 55 14.802 12.122 -12.881 1.00 1.54 C ATOM 820 O ASP A 55 13.830 11.375 -12.866 1.00 40.03 O ATOM 821 CB ASP A 55 14.417 13.795 -11.049 1.00 44.04 C ATOM 822 CG ASP A 55 14.629 14.041 -9.560 1.00 60.33 C ATOM 823 OD1 ASP A 55 15.771 14.062 -9.090 1.00 71.44 O ATOM 824 OD2 ASP A 55 13.626 14.216 -8.828 1.00 21.14 O ATOM 0 H ASP A 55 16.990 13.938 -11.828 1.00 45.31 H new ATOM 0 HA ASP A 55 15.222 11.902 -10.857 1.00 63.52 H new ATOM 0 HB2 ASP A 55 14.612 14.718 -11.594 1.00 44.04 H new ATOM 0 HB3 ASP A 55 13.372 13.537 -11.223 1.00 44.04 H new ATOM 829 N CYS A 56 15.430 12.451 -14.010 1.00 72.41 N ATOM 830 CA CYS A 56 15.061 11.781 -15.221 1.00 51.32 C ATOM 831 C CYS A 56 15.481 10.348 -15.062 1.00 34.11 C ATOM 832 O CYS A 56 14.786 9.439 -15.487 1.00 33.04 O ATOM 833 CB CYS A 56 15.760 12.331 -16.509 1.00 22.24 C ATOM 834 SG CYS A 56 17.578 12.089 -16.725 1.00 63.11 S ATOM 0 H CYS A 56 16.166 13.152 -14.096 1.00 72.41 H new ATOM 0 HA CYS A 56 13.990 11.928 -15.361 1.00 51.32 H new ATOM 0 HB2 CYS A 56 15.265 11.879 -17.369 1.00 22.24 H new ATOM 0 HB3 CYS A 56 15.564 13.402 -16.556 1.00 22.24 H new ATOM 839 N ARG A 57 16.618 10.150 -14.446 1.00 60.23 N ATOM 840 CA ARG A 57 17.147 8.823 -14.225 1.00 14.10 C ATOM 841 C ARG A 57 16.186 7.997 -13.370 1.00 12.21 C ATOM 842 O ARG A 57 15.984 6.822 -13.636 1.00 54.32 O ATOM 843 CB ARG A 57 18.490 8.903 -13.558 1.00 32.22 C ATOM 844 CG ARG A 57 19.473 9.778 -14.289 1.00 25.21 C ATOM 845 CD ARG A 57 20.846 9.601 -13.686 1.00 61.13 C ATOM 846 NE ARG A 57 21.863 10.456 -14.284 1.00 71.30 N ATOM 847 CZ ARG A 57 23.117 10.549 -13.818 1.00 51.34 C ATOM 848 NH1 ARG A 57 23.477 9.856 -12.725 1.00 33.51 N ATOM 849 NH2 ARG A 57 24.000 11.339 -14.420 1.00 63.25 N ATOM 0 H ARG A 57 17.205 10.901 -14.083 1.00 60.23 H new ATOM 0 HA ARG A 57 17.261 8.333 -15.192 1.00 14.10 H new ATOM 0 HB2 ARG A 57 18.361 9.283 -12.545 1.00 32.22 H new ATOM 0 HB3 ARG A 57 18.904 7.898 -13.472 1.00 32.22 H new ATOM 0 HG2 ARG A 57 19.492 9.517 -15.347 1.00 25.21 H new ATOM 0 HG3 ARG A 57 19.167 10.822 -14.223 1.00 25.21 H new ATOM 0 HD2 ARG A 57 20.793 9.808 -12.617 1.00 61.13 H new ATOM 0 HD3 ARG A 57 21.149 8.560 -13.795 1.00 61.13 H new ATOM 0 HE ARG A 57 21.608 11.013 -15.100 1.00 71.30 H new ATOM 0 HH11 ARG A 57 22.797 9.261 -12.252 1.00 33.51 H new ATOM 0 HH12 ARG A 57 24.430 9.925 -12.368 1.00 33.51 H new ATOM 0 HH21 ARG A 57 23.725 11.879 -15.241 1.00 63.25 H new ATOM 0 HH22 ARG A 57 24.952 11.406 -14.061 1.00 63.25 H new ATOM 863 N GLN A 58 15.615 8.639 -12.350 1.00 70.51 N ATOM 864 CA GLN A 58 14.603 8.024 -11.448 1.00 4.11 C ATOM 865 C GLN A 58 13.531 7.403 -12.220 1.00 34.22 C ATOM 866 O GLN A 58 13.212 6.220 -12.057 1.00 65.14 O ATOM 867 CB GLN A 58 13.978 9.053 -10.545 1.00 34.21 C ATOM 868 CG GLN A 58 14.954 9.789 -9.630 1.00 41.34 C ATOM 869 CD GLN A 58 15.613 8.905 -8.572 1.00 13.35 C ATOM 870 OE1 GLN A 58 15.797 7.699 -8.750 1.00 54.34 O ATOM 871 NE2 GLN A 58 16.004 9.502 -7.486 1.00 11.14 N ATOM 0 H GLN A 58 15.834 9.607 -12.113 1.00 70.51 H new ATOM 0 HA GLN A 58 15.126 7.276 -10.852 1.00 4.11 H new ATOM 0 HB2 GLN A 58 13.458 9.787 -11.161 1.00 34.21 H new ATOM 0 HB3 GLN A 58 13.225 8.563 -9.928 1.00 34.21 H new ATOM 0 HG2 GLN A 58 15.732 10.246 -10.241 1.00 41.34 H new ATOM 0 HG3 GLN A 58 14.424 10.600 -9.130 1.00 41.34 H new ATOM 0 HE21 GLN A 58 15.839 10.501 -7.365 1.00 11.14 H new ATOM 0 HE22 GLN A 58 16.476 8.971 -6.754 1.00 11.14 H new ATOM 880 N THR A 59 12.945 8.241 -12.944 1.00 44.34 N ATOM 881 CA THR A 59 12.069 8.000 -13.923 1.00 75.32 C ATOM 882 C THR A 59 12.521 6.820 -14.797 1.00 71.22 C ATOM 883 O THR A 59 12.103 5.684 -14.554 1.00 33.53 O ATOM 884 CB THR A 59 12.100 9.380 -14.633 1.00 71.41 C ATOM 885 OG1 THR A 59 11.545 10.416 -13.827 1.00 55.43 O ATOM 886 CG2 THR A 59 11.670 9.470 -16.024 1.00 61.53 C ATOM 0 H THR A 59 13.110 9.241 -12.826 1.00 44.34 H new ATOM 0 HA THR A 59 11.069 7.689 -13.621 1.00 75.32 H new ATOM 0 HB THR A 59 13.174 9.533 -14.739 1.00 71.41 H new ATOM 0 HG1 THR A 59 12.266 10.979 -13.475 1.00 55.43 H new ATOM 0 HG21 THR A 59 11.754 10.502 -16.365 1.00 61.53 H new ATOM 0 HG22 THR A 59 12.301 8.831 -16.642 1.00 61.53 H new ATOM 0 HG23 THR A 59 10.633 9.144 -16.106 1.00 61.53 H new ATOM 894 N CYS A 60 13.361 7.035 -15.707 1.00 44.43 N ATOM 895 CA CYS A 60 13.443 6.020 -16.775 1.00 45.20 C ATOM 896 C CYS A 60 14.591 5.993 -17.668 1.00 13.42 C ATOM 897 O CYS A 60 14.464 5.385 -18.693 1.00 42.42 O ATOM 898 CB CYS A 60 12.241 6.146 -17.698 1.00 33.02 C ATOM 899 SG CYS A 60 10.602 5.707 -17.046 1.00 54.51 S ATOM 0 H CYS A 60 13.988 7.836 -15.781 1.00 44.43 H new ATOM 0 HA CYS A 60 13.512 5.112 -16.175 1.00 45.20 H new ATOM 0 HB2 CYS A 60 12.195 7.178 -18.044 1.00 33.02 H new ATOM 0 HB3 CYS A 60 12.428 5.524 -18.573 1.00 33.02 H new ATOM 904 N GLN A 61 15.692 6.475 -17.335 1.00 52.33 N ATOM 905 CA GLN A 61 16.628 6.712 -18.399 1.00 24.02 C ATOM 906 C GLN A 61 17.335 5.462 -18.868 1.00 51.43 C ATOM 907 O GLN A 61 17.159 5.011 -19.991 1.00 33.22 O ATOM 908 CB GLN A 61 17.553 7.809 -18.020 1.00 1.15 C ATOM 909 CG GLN A 61 16.733 8.978 -17.617 1.00 1.45 C ATOM 910 CD GLN A 61 15.793 9.476 -18.671 1.00 30.23 C ATOM 911 OE1 GLN A 61 16.070 9.424 -19.810 1.00 65.22 O ATOM 912 NE2 GLN A 61 14.631 9.893 -18.265 1.00 73.22 N ATOM 0 H GLN A 61 15.993 6.716 -16.391 1.00 52.33 H new ATOM 0 HA GLN A 61 16.066 7.036 -19.275 1.00 24.02 H new ATOM 0 HB2 GLN A 61 18.200 7.496 -17.201 1.00 1.15 H new ATOM 0 HB3 GLN A 61 18.201 8.068 -18.857 1.00 1.15 H new ATOM 0 HG2 GLN A 61 16.156 8.712 -16.731 1.00 1.45 H new ATOM 0 HG3 GLN A 61 17.400 9.791 -17.331 1.00 1.45 H new ATOM 0 HE21 GLN A 61 14.421 9.926 -17.267 1.00 73.22 H new ATOM 0 HE22 GLN A 61 13.929 10.187 -18.944 1.00 73.22 H new ATOM 921 N TYR A 62 18.076 4.906 -17.992 1.00 45.41 N ATOM 922 CA TYR A 62 19.004 3.886 -18.346 1.00 11.25 C ATOM 923 C TYR A 62 18.462 2.463 -18.431 1.00 61.41 C ATOM 924 O TYR A 62 18.033 1.872 -17.438 1.00 50.21 O ATOM 925 CB TYR A 62 20.203 3.982 -17.424 1.00 70.32 C ATOM 926 CG TYR A 62 20.971 5.277 -17.591 1.00 31.21 C ATOM 927 CD1 TYR A 62 21.886 5.429 -18.618 1.00 14.24 C ATOM 928 CD2 TYR A 62 20.762 6.357 -16.737 1.00 20.55 C ATOM 929 CE1 TYR A 62 22.567 6.613 -18.796 1.00 65.35 C ATOM 930 CE2 TYR A 62 21.446 7.545 -16.906 1.00 32.34 C ATOM 931 CZ TYR A 62 22.345 7.666 -17.939 1.00 4.32 C ATOM 932 OH TYR A 62 23.019 8.854 -18.129 1.00 55.11 O ATOM 0 H TYR A 62 18.063 5.141 -16.999 1.00 45.41 H new ATOM 0 HA TYR A 62 19.283 4.084 -19.381 1.00 11.25 H new ATOM 0 HB2 TYR A 62 19.868 3.894 -16.390 1.00 70.32 H new ATOM 0 HB3 TYR A 62 20.871 3.142 -17.615 1.00 70.32 H new ATOM 0 HD1 TYR A 62 22.069 4.605 -19.292 1.00 14.24 H new ATOM 0 HD2 TYR A 62 20.052 6.264 -15.928 1.00 20.55 H new ATOM 0 HE1 TYR A 62 23.274 6.714 -19.606 1.00 65.35 H new ATOM 0 HE2 TYR A 62 21.276 8.372 -16.232 1.00 32.34 H new ATOM 0 HH TYR A 62 22.749 9.497 -17.440 1.00 55.11 H new ATOM 942 N PRO A 63 18.509 1.879 -19.651 1.00 44.45 N ATOM 943 CA PRO A 63 18.211 0.471 -19.889 1.00 13.24 C ATOM 944 C PRO A 63 19.536 -0.314 -19.865 1.00 31.34 C ATOM 945 O PRO A 63 19.661 -1.433 -20.380 1.00 12.05 O ATOM 946 CB PRO A 63 17.624 0.493 -21.303 1.00 52.12 C ATOM 947 CG PRO A 63 18.326 1.623 -21.998 1.00 13.22 C ATOM 948 CD PRO A 63 18.821 2.575 -20.928 1.00 31.34 C ATOM 0 HA PRO A 63 17.544 0.011 -19.160 1.00 13.24 H new ATOM 0 HB2 PRO A 63 17.795 -0.453 -21.816 1.00 52.12 H new ATOM 0 HB3 PRO A 63 16.546 0.653 -21.280 1.00 52.12 H new ATOM 0 HG2 PRO A 63 19.158 1.249 -22.594 1.00 13.22 H new ATOM 0 HG3 PRO A 63 17.648 2.133 -22.682 1.00 13.22 H new ATOM 0 HD2 PRO A 63 19.890 2.766 -21.027 1.00 31.34 H new ATOM 0 HD3 PRO A 63 18.318 3.540 -20.989 1.00 31.34 H new ATOM 956 N VAL A 64 20.488 0.305 -19.217 1.00 44.13 N ATOM 957 CA VAL A 64 21.848 -0.147 -19.099 1.00 73.33 C ATOM 958 C VAL A 64 22.277 0.064 -17.667 1.00 50.10 C ATOM 959 O VAL A 64 21.881 1.063 -17.035 1.00 51.24 O ATOM 960 CB VAL A 64 22.829 0.598 -20.082 1.00 42.04 C ATOM 961 CG1 VAL A 64 22.496 0.291 -21.536 1.00 52.12 C ATOM 962 CG2 VAL A 64 22.824 2.107 -19.852 1.00 65.31 C ATOM 0 H VAL A 64 20.325 1.187 -18.731 1.00 44.13 H new ATOM 0 HA VAL A 64 21.892 -1.201 -19.375 1.00 73.33 H new ATOM 0 HB VAL A 64 23.831 0.225 -19.868 1.00 42.04 H new ATOM 0 HG11 VAL A 64 23.191 0.820 -22.188 1.00 52.12 H new ATOM 0 HG12 VAL A 64 22.580 -0.782 -21.710 1.00 52.12 H new ATOM 0 HG13 VAL A 64 21.478 0.615 -21.752 1.00 52.12 H new ATOM 0 HG21 VAL A 64 23.513 2.584 -20.549 1.00 65.31 H new ATOM 0 HG22 VAL A 64 21.819 2.496 -20.012 1.00 65.31 H new ATOM 0 HG23 VAL A 64 23.137 2.320 -18.830 1.00 65.31 H new ATOM 972 N GLY A 65 23.023 -0.855 -17.138 1.00 74.11 N ATOM 973 CA GLY A 65 23.430 -0.758 -15.780 1.00 31.12 C ATOM 974 C GLY A 65 24.858 -0.306 -15.746 1.00 14.30 C ATOM 975 O GLY A 65 25.262 0.394 -14.802 1.00 45.34 O ATOM 976 OXT GLY A 65 25.604 -0.622 -16.703 1.00 0.00 O ATOM 0 H GLY A 65 23.361 -1.681 -17.631 1.00 74.11 H new ATOM 0 HA2 GLY A 65 22.796 -0.052 -15.243 1.00 31.12 H new ATOM 0 HA3 GLY A 65 23.325 -1.722 -15.283 1.00 31.12 H new TER 980 GLY A 65