USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 747 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 14 LYS NZ :NH3+ 139:sc= -0.352 (180deg=-1.54!) USER MOD Set 1.2: A 20 HIS : no HD1:sc= -1.19 K(o=-1.5,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= -0.162 (180deg=-0.748) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -134:sc= -0.0337 (180deg=-0.405) USER MOD Single : A 16 LYS NZ :NH3+ 125:sc= -0.0368 (180deg=-0.931) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0625 X(o=-0.062,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0.298 (180deg=0.298) USER MOD Single : A 47 THR OG1 : rot 171:sc= 0.631 USER MOD Single : A 48 HIS : no HE2:sc= 0.0132 X(o=0.013,f=-0.35) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot -117:sc= 0.245 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.51) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.573 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc=-0.00147 (180deg=-0.0773) USER MOD Single : A 78 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.015) USER MOD Single : A 86 ASN : amide:sc= -1.99 K(o=-2,f=-3.3) USER MOD Single : A 87 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.4) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.632 -0.524 0.486 1.00 71.20 N ATOM 2 CA MET A 1 2.403 -0.322 -0.735 1.00 51.13 C ATOM 3 C MET A 1 3.770 -0.990 -0.632 1.00 61.40 C ATOM 4 O MET A 1 4.201 -1.383 0.453 1.00 50.11 O ATOM 5 CB MET A 1 2.573 1.173 -1.015 1.00 33.41 C ATOM 6 CG MET A 1 3.082 1.961 0.181 1.00 34.31 C ATOM 7 SD MET A 1 2.990 3.744 -0.072 1.00 30.41 S ATOM 8 CE MET A 1 1.287 4.063 0.381 1.00 74.33 C ATOM 0 H1 MET A 1 0.993 0.284 0.631 1.00 71.20 H new ATOM 0 H2 MET A 1 1.073 -1.397 0.403 1.00 71.20 H new ATOM 0 H3 MET A 1 2.279 -0.602 1.296 1.00 71.20 H new ATOM 0 HA MET A 1 1.856 -0.779 -1.560 1.00 51.13 H new ATOM 0 HB2 MET A 1 3.266 1.302 -1.846 1.00 33.41 H new ATOM 0 HB3 MET A 1 1.615 1.586 -1.331 1.00 33.41 H new ATOM 0 HG2 MET A 1 2.500 1.693 1.063 1.00 34.31 H new ATOM 0 HG3 MET A 1 4.115 1.679 0.384 1.00 34.31 H new ATOM 0 HE1 MET A 1 1.076 5.127 0.276 1.00 74.33 H new ATOM 0 HE2 MET A 1 0.624 3.495 -0.272 1.00 74.33 H new ATOM 0 HE3 MET A 1 1.123 3.761 1.415 1.00 74.33 H new ATOM 18 N THR A 2 4.449 -1.118 -1.768 1.00 2.41 N ATOM 19 CA THR A 2 5.767 -1.740 -1.805 1.00 55.23 C ATOM 20 C THR A 2 6.848 -0.765 -1.352 1.00 72.52 C ATOM 21 O THR A 2 7.909 -1.176 -0.883 1.00 3.03 O ATOM 22 CB THR A 2 6.108 -2.247 -3.219 1.00 23.21 C ATOM 23 OG1 THR A 2 4.917 -2.680 -3.885 1.00 41.25 O ATOM 24 CG2 THR A 2 7.105 -3.394 -3.156 1.00 23.42 C ATOM 0 H THR A 2 4.108 -0.799 -2.675 1.00 2.41 H new ATOM 0 HA THR A 2 5.737 -2.588 -1.120 1.00 55.23 H new ATOM 0 HB THR A 2 6.557 -1.426 -3.777 1.00 23.21 H new ATOM 0 HG1 THR A 2 5.142 -2.999 -4.784 1.00 41.25 H new ATOM 0 HG21 THR A 2 7.331 -3.736 -4.166 1.00 23.42 H new ATOM 0 HG22 THR A 2 8.022 -3.053 -2.675 1.00 23.42 H new ATOM 0 HG23 THR A 2 6.678 -4.216 -2.582 1.00 23.42 H new ATOM 32 N ARG A 3 6.571 0.527 -1.495 1.00 62.53 N ATOM 33 CA ARG A 3 7.521 1.559 -1.101 1.00 4.52 C ATOM 34 C ARG A 3 7.994 1.344 0.334 1.00 13.42 C ATOM 35 O ARG A 3 7.225 0.911 1.193 1.00 63.43 O ATOM 36 CB ARG A 3 6.887 2.945 -1.238 1.00 64.10 C ATOM 37 CG ARG A 3 6.297 3.211 -2.613 1.00 60.01 C ATOM 38 CD ARG A 3 7.347 3.078 -3.705 1.00 73.53 C ATOM 39 NE ARG A 3 7.499 1.696 -4.152 1.00 72.54 N ATOM 40 CZ ARG A 3 8.324 1.324 -5.125 1.00 52.30 C ATOM 41 NH1 ARG A 3 9.067 2.228 -5.749 1.00 25.52 N ATOM 42 NH2 ARG A 3 8.407 0.047 -5.475 1.00 55.12 N ATOM 0 H ARG A 3 5.697 0.883 -1.881 1.00 62.53 H new ATOM 0 HA ARG A 3 8.384 1.494 -1.763 1.00 4.52 H new ATOM 0 HB2 ARG A 3 6.103 3.052 -0.488 1.00 64.10 H new ATOM 0 HB3 ARG A 3 7.640 3.703 -1.022 1.00 64.10 H new ATOM 0 HG2 ARG A 3 5.483 2.511 -2.802 1.00 60.01 H new ATOM 0 HG3 ARG A 3 5.869 4.213 -2.639 1.00 60.01 H new ATOM 0 HD2 ARG A 3 7.070 3.705 -4.553 1.00 73.53 H new ATOM 0 HD3 ARG A 3 8.304 3.447 -3.335 1.00 73.53 H new ATOM 0 HE ARG A 3 6.941 0.977 -3.692 1.00 72.54 H new ATOM 0 HH11 ARG A 3 9.006 3.211 -5.482 1.00 25.52 H new ATOM 0 HH12 ARG A 3 9.700 1.941 -6.496 1.00 25.52 H new ATOM 0 HH21 ARG A 3 7.837 -0.651 -4.997 1.00 55.12 H new ATOM 0 HH22 ARG A 3 9.041 -0.237 -6.222 1.00 55.12 H new ATOM 56 N ASP A 4 9.262 1.650 0.586 1.00 13.02 N ATOM 57 CA ASP A 4 9.837 1.491 1.917 1.00 74.21 C ATOM 58 C ASP A 4 9.472 2.671 2.811 1.00 13.53 C ATOM 59 O ASP A 4 8.920 3.669 2.346 1.00 3.10 O ATOM 60 CB ASP A 4 11.357 1.355 1.826 1.00 63.02 C ATOM 61 CG ASP A 4 12.028 2.641 1.385 1.00 1.21 C ATOM 62 OD1 ASP A 4 12.141 3.567 2.216 1.00 31.21 O ATOM 63 OD2 ASP A 4 12.441 2.722 0.210 1.00 61.25 O ATOM 0 H ASP A 4 9.911 2.010 -0.114 1.00 13.02 H new ATOM 0 HA ASP A 4 9.425 0.583 2.358 1.00 74.21 H new ATOM 0 HB2 ASP A 4 11.751 1.058 2.798 1.00 63.02 H new ATOM 0 HB3 ASP A 4 11.606 0.559 1.124 1.00 63.02 H new ATOM 68 N PHE A 5 9.782 2.551 4.098 1.00 71.41 N ATOM 69 CA PHE A 5 9.485 3.607 5.058 1.00 33.24 C ATOM 70 C PHE A 5 10.765 4.139 5.695 1.00 43.55 C ATOM 71 O PHE A 5 11.865 3.683 5.381 1.00 31.42 O ATOM 72 CB PHE A 5 8.540 3.087 6.144 1.00 25.13 C ATOM 73 CG PHE A 5 7.087 3.236 5.796 1.00 31.04 C ATOM 74 CD1 PHE A 5 6.436 4.444 5.987 1.00 73.02 C ATOM 75 CD2 PHE A 5 6.372 2.168 5.279 1.00 33.34 C ATOM 76 CE1 PHE A 5 5.098 4.585 5.667 1.00 22.43 C ATOM 77 CE2 PHE A 5 5.034 2.303 4.958 1.00 64.43 C ATOM 78 CZ PHE A 5 4.397 3.512 5.153 1.00 15.00 C ATOM 0 H PHE A 5 10.239 1.732 4.500 1.00 71.41 H new ATOM 0 HA PHE A 5 9.000 4.423 4.523 1.00 33.24 H new ATOM 0 HB2 PHE A 5 8.755 2.034 6.328 1.00 25.13 H new ATOM 0 HB3 PHE A 5 8.739 3.620 7.074 1.00 25.13 H new ATOM 0 HD1 PHE A 5 6.980 5.285 6.390 1.00 73.02 H new ATOM 0 HD2 PHE A 5 6.865 1.220 5.125 1.00 33.34 H new ATOM 0 HE1 PHE A 5 4.602 5.532 5.819 1.00 22.43 H new ATOM 0 HE2 PHE A 5 4.488 1.463 4.555 1.00 64.43 H new ATOM 0 HZ PHE A 5 3.352 3.619 4.904 1.00 15.00 H new ATOM 88 N LYS A 6 10.615 5.110 6.590 1.00 72.41 N ATOM 89 CA LYS A 6 11.757 5.706 7.272 1.00 22.11 C ATOM 90 C LYS A 6 11.701 5.428 8.771 1.00 43.51 C ATOM 91 O LYS A 6 10.647 5.129 9.332 1.00 3.13 O ATOM 92 CB LYS A 6 11.795 7.215 7.023 1.00 1.41 C ATOM 93 CG LYS A 6 12.431 7.597 5.698 1.00 42.42 C ATOM 94 CD LYS A 6 13.941 7.716 5.818 1.00 43.23 C ATOM 95 CE LYS A 6 14.565 8.217 4.524 1.00 5.23 C ATOM 96 NZ LYS A 6 16.051 8.118 4.551 1.00 61.15 N ATOM 0 H LYS A 6 9.712 5.501 6.860 1.00 72.41 H new ATOM 0 HA LYS A 6 12.664 5.255 6.870 1.00 22.11 H new ATOM 0 HB2 LYS A 6 10.778 7.606 7.054 1.00 1.41 H new ATOM 0 HB3 LYS A 6 12.346 7.695 7.832 1.00 1.41 H new ATOM 0 HG2 LYS A 6 12.183 6.849 4.945 1.00 42.42 H new ATOM 0 HG3 LYS A 6 12.017 8.545 5.354 1.00 42.42 H new ATOM 0 HD2 LYS A 6 14.190 8.398 6.631 1.00 43.23 H new ATOM 0 HD3 LYS A 6 14.364 6.745 6.075 1.00 43.23 H new ATOM 0 HE2 LYS A 6 14.177 7.638 3.686 1.00 5.23 H new ATOM 0 HE3 LYS A 6 14.273 9.254 4.357 1.00 5.23 H new ATOM 0 HZ1 LYS A 6 16.439 8.469 3.652 1.00 61.15 H new ATOM 0 HZ2 LYS A 6 16.423 8.691 5.335 1.00 61.15 H new ATOM 0 HZ3 LYS A 6 16.330 7.125 4.685 1.00 61.15 H new ATOM 110 N PRO A 7 12.861 5.531 9.436 1.00 5.02 N ATOM 111 CA PRO A 7 12.970 5.297 10.879 1.00 12.03 C ATOM 112 C PRO A 7 12.292 6.391 11.697 1.00 54.25 C ATOM 113 O PRO A 7 12.682 7.556 11.637 1.00 53.44 O ATOM 114 CB PRO A 7 14.480 5.303 11.127 1.00 23.12 C ATOM 115 CG PRO A 7 15.042 6.128 10.021 1.00 4.15 C ATOM 116 CD PRO A 7 14.157 5.884 8.831 1.00 33.11 C ATOM 0 HA PRO A 7 12.479 4.372 11.179 1.00 12.03 H new ATOM 0 HB2 PRO A 7 14.720 5.730 12.101 1.00 23.12 H new ATOM 0 HB3 PRO A 7 14.888 4.292 11.113 1.00 23.12 H new ATOM 0 HG2 PRO A 7 15.053 7.184 10.289 1.00 4.15 H new ATOM 0 HG3 PRO A 7 16.072 5.843 9.806 1.00 4.15 H new ATOM 0 HD2 PRO A 7 14.078 6.770 8.201 1.00 33.11 H new ATOM 0 HD3 PRO A 7 14.540 5.079 8.204 1.00 33.11 H new ATOM 124 N GLY A 8 11.273 6.008 12.461 1.00 24.20 N ATOM 125 CA GLY A 8 10.558 6.969 13.280 1.00 75.42 C ATOM 126 C GLY A 8 9.243 7.395 12.657 1.00 1.52 C ATOM 127 O GLY A 8 8.671 8.417 13.037 1.00 2.34 O ATOM 0 H GLY A 8 10.930 5.050 12.527 1.00 24.20 H new ATOM 0 HA2 GLY A 8 10.368 6.535 14.262 1.00 75.42 H new ATOM 0 HA3 GLY A 8 11.185 7.847 13.435 1.00 75.42 H new ATOM 131 N ASP A 9 8.764 6.613 11.697 1.00 75.12 N ATOM 132 CA ASP A 9 7.508 6.916 11.019 1.00 22.33 C ATOM 133 C ASP A 9 6.336 6.232 11.716 1.00 60.53 C ATOM 134 O ASP A 9 6.456 5.101 12.191 1.00 41.42 O ATOM 135 CB ASP A 9 7.575 6.476 9.556 1.00 51.42 C ATOM 136 CG ASP A 9 7.834 7.636 8.614 1.00 3.24 C ATOM 137 OD1 ASP A 9 8.646 8.517 8.967 1.00 4.13 O ATOM 138 OD2 ASP A 9 7.226 7.662 7.524 1.00 12.55 O ATOM 0 H ASP A 9 9.226 5.764 11.370 1.00 75.12 H new ATOM 0 HA ASP A 9 7.352 7.994 11.059 1.00 22.33 H new ATOM 0 HB2 ASP A 9 8.364 5.733 9.439 1.00 51.42 H new ATOM 0 HB3 ASP A 9 6.638 5.991 9.282 1.00 51.42 H new ATOM 143 N LEU A 10 5.204 6.923 11.774 1.00 55.42 N ATOM 144 CA LEU A 10 4.009 6.383 12.413 1.00 12.24 C ATOM 145 C LEU A 10 3.195 5.549 11.430 1.00 73.42 C ATOM 146 O LEU A 10 2.581 6.084 10.506 1.00 62.10 O ATOM 147 CB LEU A 10 3.148 7.518 12.972 1.00 60.32 C ATOM 148 CG LEU A 10 3.838 8.461 13.958 1.00 20.31 C ATOM 149 CD1 LEU A 10 4.729 7.678 14.910 1.00 11.35 C ATOM 150 CD2 LEU A 10 4.645 9.514 13.213 1.00 25.33 C ATOM 0 H LEU A 10 5.088 7.859 11.386 1.00 55.42 H new ATOM 0 HA LEU A 10 4.326 5.738 13.233 1.00 12.24 H new ATOM 0 HB2 LEU A 10 2.774 8.109 12.136 1.00 60.32 H new ATOM 0 HB3 LEU A 10 2.281 7.080 13.466 1.00 60.32 H new ATOM 0 HG LEU A 10 3.071 8.968 14.544 1.00 20.31 H new ATOM 0 HD11 LEU A 10 5.212 8.365 15.605 1.00 11.35 H new ATOM 0 HD12 LEU A 10 4.125 6.963 15.468 1.00 11.35 H new ATOM 0 HD13 LEU A 10 5.489 7.144 14.340 1.00 11.35 H new ATOM 0 HD21 LEU A 10 5.129 10.176 13.931 1.00 25.33 H new ATOM 0 HD22 LEU A 10 5.403 9.026 12.601 1.00 25.33 H new ATOM 0 HD23 LEU A 10 3.981 10.095 12.573 1.00 25.33 H new ATOM 162 N ILE A 11 3.192 4.236 11.636 1.00 3.10 N ATOM 163 CA ILE A 11 2.451 3.328 10.769 1.00 13.54 C ATOM 164 C ILE A 11 1.847 2.177 11.567 1.00 44.22 C ATOM 165 O ILE A 11 2.411 1.740 12.570 1.00 4.12 O ATOM 166 CB ILE A 11 3.348 2.753 9.657 1.00 14.43 C ATOM 167 CG1 ILE A 11 4.538 2.009 10.266 1.00 51.12 C ATOM 168 CG2 ILE A 11 3.826 3.865 8.735 1.00 21.31 C ATOM 169 CD1 ILE A 11 4.265 0.544 10.527 1.00 43.23 C ATOM 0 H ILE A 11 3.695 3.777 12.396 1.00 3.10 H new ATOM 0 HA ILE A 11 1.650 3.910 10.313 1.00 13.54 H new ATOM 0 HB ILE A 11 2.764 2.045 9.068 1.00 14.43 H new ATOM 0 HG12 ILE A 11 5.393 2.097 9.596 1.00 51.12 H new ATOM 0 HG13 ILE A 11 4.817 2.491 11.203 1.00 51.12 H new ATOM 0 HG21 ILE A 11 4.459 3.443 7.954 1.00 21.31 H new ATOM 0 HG22 ILE A 11 2.966 4.355 8.279 1.00 21.31 H new ATOM 0 HG23 ILE A 11 4.397 4.594 9.310 1.00 21.31 H new ATOM 0 HD11 ILE A 11 5.152 0.080 10.959 1.00 43.23 H new ATOM 0 HD12 ILE A 11 3.430 0.448 11.221 1.00 43.23 H new ATOM 0 HD13 ILE A 11 4.016 0.048 9.589 1.00 43.23 H new ATOM 181 N PHE A 12 0.698 1.689 11.113 1.00 61.53 N ATOM 182 CA PHE A 12 0.018 0.587 11.783 1.00 32.41 C ATOM 183 C PHE A 12 0.539 -0.758 11.285 1.00 70.14 C ATOM 184 O PHE A 12 0.357 -1.114 10.121 1.00 53.43 O ATOM 185 CB PHE A 12 -1.492 0.677 11.555 1.00 55.30 C ATOM 186 CG PHE A 12 -2.214 1.454 12.619 1.00 42.21 C ATOM 187 CD1 PHE A 12 -1.821 2.743 12.941 1.00 43.11 C ATOM 188 CD2 PHE A 12 -3.285 0.895 13.297 1.00 2.24 C ATOM 189 CE1 PHE A 12 -2.483 3.461 13.919 1.00 4.12 C ATOM 190 CE2 PHE A 12 -3.951 1.608 14.276 1.00 2.43 C ATOM 191 CZ PHE A 12 -3.548 2.892 14.588 1.00 14.34 C ATOM 0 H PHE A 12 0.218 2.039 10.284 1.00 61.53 H new ATOM 0 HA PHE A 12 0.223 0.663 12.851 1.00 32.41 H new ATOM 0 HB2 PHE A 12 -1.678 1.142 10.587 1.00 55.30 H new ATOM 0 HB3 PHE A 12 -1.905 -0.331 11.509 1.00 55.30 H new ATOM 0 HD1 PHE A 12 -0.987 3.192 12.422 1.00 43.11 H new ATOM 0 HD2 PHE A 12 -3.603 -0.109 13.058 1.00 2.24 H new ATOM 0 HE1 PHE A 12 -2.168 4.466 14.159 1.00 4.12 H new ATOM 0 HE2 PHE A 12 -4.786 1.162 14.796 1.00 2.43 H new ATOM 0 HZ PHE A 12 -4.066 3.450 15.354 1.00 14.34 H new ATOM 201 N ALA A 13 1.189 -1.501 12.175 1.00 51.24 N ATOM 202 CA ALA A 13 1.736 -2.806 11.827 1.00 74.54 C ATOM 203 C ALA A 13 0.649 -3.877 11.836 1.00 3.41 C ATOM 204 O ALA A 13 -0.148 -3.959 12.771 1.00 41.12 O ATOM 205 CB ALA A 13 2.857 -3.181 12.784 1.00 31.42 C ATOM 0 H ALA A 13 1.349 -1.221 13.143 1.00 51.24 H new ATOM 0 HA ALA A 13 2.141 -2.745 10.817 1.00 74.54 H new ATOM 0 HB1 ALA A 13 3.256 -4.158 12.512 1.00 31.42 H new ATOM 0 HB2 ALA A 13 3.650 -2.436 12.725 1.00 31.42 H new ATOM 0 HB3 ALA A 13 2.469 -3.218 13.802 1.00 31.42 H new ATOM 211 N LYS A 14 0.622 -4.695 10.790 1.00 65.13 N ATOM 212 CA LYS A 14 -0.366 -5.761 10.677 1.00 64.31 C ATOM 213 C LYS A 14 0.295 -7.131 10.804 1.00 55.52 C ATOM 214 O LYS A 14 0.962 -7.596 9.881 1.00 40.15 O ATOM 215 CB LYS A 14 -1.104 -5.661 9.340 1.00 22.20 C ATOM 216 CG LYS A 14 -2.560 -5.252 9.478 1.00 31.45 C ATOM 217 CD LYS A 14 -3.374 -6.322 10.187 1.00 14.44 C ATOM 218 CE LYS A 14 -4.496 -6.845 9.304 1.00 55.12 C ATOM 219 NZ LYS A 14 -5.834 -6.400 9.784 1.00 30.22 N ATOM 0 H LYS A 14 1.274 -4.640 10.007 1.00 65.13 H new ATOM 0 HA LYS A 14 -1.083 -5.646 11.490 1.00 64.31 H new ATOM 0 HB2 LYS A 14 -0.591 -4.939 8.705 1.00 22.20 H new ATOM 0 HB3 LYS A 14 -1.053 -6.625 8.833 1.00 22.20 H new ATOM 0 HG2 LYS A 14 -2.625 -4.316 10.033 1.00 31.45 H new ATOM 0 HG3 LYS A 14 -2.982 -5.067 8.490 1.00 31.45 H new ATOM 0 HD2 LYS A 14 -2.721 -7.146 10.474 1.00 14.44 H new ATOM 0 HD3 LYS A 14 -3.794 -5.912 11.106 1.00 14.44 H new ATOM 0 HE2 LYS A 14 -4.344 -6.500 8.281 1.00 55.12 H new ATOM 0 HE3 LYS A 14 -4.462 -7.934 9.281 1.00 55.12 H new ATOM 0 HZ1 LYS A 14 -6.424 -6.133 8.970 1.00 30.22 H new ATOM 0 HZ2 LYS A 14 -6.292 -7.176 10.304 1.00 30.22 H new ATOM 0 HZ3 LYS A 14 -5.722 -5.580 10.414 1.00 30.22 H new ATOM 233 N MET A 15 0.102 -7.771 11.952 1.00 22.03 N ATOM 234 CA MET A 15 0.677 -9.088 12.198 1.00 63.53 C ATOM 235 C MET A 15 -0.195 -10.184 11.592 1.00 10.35 C ATOM 236 O MET A 15 -1.423 -10.114 11.646 1.00 71.40 O ATOM 237 CB MET A 15 0.843 -9.324 13.700 1.00 20.32 C ATOM 238 CG MET A 15 2.206 -8.912 14.233 1.00 33.53 C ATOM 239 SD MET A 15 3.249 -10.326 14.640 1.00 15.02 S ATOM 240 CE MET A 15 2.370 -11.001 16.047 1.00 33.22 C ATOM 0 H MET A 15 -0.448 -7.399 12.726 1.00 22.03 H new ATOM 0 HA MET A 15 1.657 -9.123 11.722 1.00 63.53 H new ATOM 0 HB2 MET A 15 0.071 -8.770 14.234 1.00 20.32 H new ATOM 0 HB3 MET A 15 0.683 -10.381 13.913 1.00 20.32 H new ATOM 0 HG2 MET A 15 2.711 -8.295 13.490 1.00 33.53 H new ATOM 0 HG3 MET A 15 2.073 -8.296 15.122 1.00 33.53 H new ATOM 0 HE1 MET A 15 3.079 -11.231 16.843 1.00 33.22 H new ATOM 0 HE2 MET A 15 1.644 -10.271 16.407 1.00 33.22 H new ATOM 0 HE3 MET A 15 1.851 -11.912 15.749 1.00 33.22 H new ATOM 250 N LYS A 16 0.447 -11.194 11.016 1.00 30.44 N ATOM 251 CA LYS A 16 -0.270 -12.306 10.401 1.00 5.55 C ATOM 252 C LYS A 16 -1.277 -12.908 11.375 1.00 73.50 C ATOM 253 O LYS A 16 -0.901 -13.555 12.351 1.00 31.44 O ATOM 254 CB LYS A 16 0.716 -13.381 9.940 1.00 71.45 C ATOM 255 CG LYS A 16 1.787 -13.706 10.966 1.00 63.10 C ATOM 256 CD LYS A 16 2.616 -14.908 10.546 1.00 64.04 C ATOM 257 CE LYS A 16 2.008 -16.208 11.048 1.00 74.33 C ATOM 258 NZ LYS A 16 1.031 -16.775 10.077 1.00 42.15 N ATOM 0 H LYS A 16 1.463 -11.266 10.962 1.00 30.44 H new ATOM 0 HA LYS A 16 -0.812 -11.924 9.536 1.00 5.55 H new ATOM 0 HB2 LYS A 16 0.164 -14.291 9.703 1.00 71.45 H new ATOM 0 HB3 LYS A 16 1.196 -13.051 9.019 1.00 71.45 H new ATOM 0 HG2 LYS A 16 2.438 -12.842 11.099 1.00 63.10 H new ATOM 0 HG3 LYS A 16 1.320 -13.904 11.931 1.00 63.10 H new ATOM 0 HD2 LYS A 16 2.692 -14.937 9.459 1.00 64.04 H new ATOM 0 HD3 LYS A 16 3.629 -14.806 10.934 1.00 64.04 H new ATOM 0 HE2 LYS A 16 2.801 -16.933 11.231 1.00 74.33 H new ATOM 0 HE3 LYS A 16 1.511 -16.032 12.002 1.00 74.33 H new ATOM 0 HZ1 LYS A 16 1.300 -17.752 9.844 1.00 42.15 H new ATOM 0 HZ2 LYS A 16 0.080 -16.769 10.498 1.00 42.15 H new ATOM 0 HZ3 LYS A 16 1.030 -16.201 9.210 1.00 42.15 H new ATOM 272 N GLY A 17 -2.560 -12.693 11.101 1.00 54.31 N ATOM 273 CA GLY A 17 -3.602 -13.223 11.961 1.00 0.22 C ATOM 274 C GLY A 17 -3.961 -12.275 13.089 1.00 61.25 C ATOM 275 O GLY A 17 -4.462 -12.700 14.130 1.00 2.20 O ATOM 0 H GLY A 17 -2.897 -12.161 10.298 1.00 54.31 H new ATOM 0 HA2 GLY A 17 -4.492 -13.427 11.365 1.00 0.22 H new ATOM 0 HA3 GLY A 17 -3.274 -14.174 12.380 1.00 0.22 H new ATOM 279 N TYR A 18 -3.703 -10.989 12.882 1.00 11.42 N ATOM 280 CA TYR A 18 -3.998 -9.978 13.891 1.00 35.54 C ATOM 281 C TYR A 18 -4.418 -8.664 13.240 1.00 35.33 C ATOM 282 O TYR A 18 -4.024 -8.343 12.119 1.00 73.31 O ATOM 283 CB TYR A 18 -2.779 -9.750 14.787 1.00 75.32 C ATOM 284 CG TYR A 18 -2.212 -11.023 15.373 1.00 31.22 C ATOM 285 CD1 TYR A 18 -1.327 -11.811 14.648 1.00 23.25 C ATOM 286 CD2 TYR A 18 -2.561 -11.437 16.653 1.00 61.20 C ATOM 287 CE1 TYR A 18 -0.807 -12.975 15.180 1.00 24.22 C ATOM 288 CE2 TYR A 18 -2.045 -12.599 17.193 1.00 24.14 C ATOM 289 CZ TYR A 18 -1.168 -13.365 16.453 1.00 53.11 C ATOM 290 OH TYR A 18 -0.651 -14.523 16.987 1.00 73.03 O ATOM 0 H TYR A 18 -3.290 -10.621 12.025 1.00 11.42 H new ATOM 0 HA TYR A 18 -4.826 -10.341 14.500 1.00 35.54 H new ATOM 0 HB2 TYR A 18 -2.003 -9.249 14.209 1.00 75.32 H new ATOM 0 HB3 TYR A 18 -3.056 -9.078 15.599 1.00 75.32 H new ATOM 0 HD1 TYR A 18 -1.041 -11.508 13.652 1.00 23.25 H new ATOM 0 HD2 TYR A 18 -3.247 -10.840 17.235 1.00 61.20 H new ATOM 0 HE1 TYR A 18 -0.121 -13.577 14.602 1.00 24.22 H new ATOM 0 HE2 TYR A 18 -2.327 -12.906 18.189 1.00 24.14 H new ATOM 0 HH TYR A 18 -1.005 -14.653 17.892 1.00 73.03 H new ATOM 300 N PRO A 19 -5.238 -7.884 13.960 1.00 12.02 N ATOM 301 CA PRO A 19 -5.730 -6.591 13.474 1.00 25.14 C ATOM 302 C PRO A 19 -4.627 -5.540 13.408 1.00 11.33 C ATOM 303 O PRO A 19 -3.492 -5.789 13.815 1.00 21.51 O ATOM 304 CB PRO A 19 -6.782 -6.198 14.514 1.00 23.04 C ATOM 305 CG PRO A 19 -6.372 -6.912 15.756 1.00 34.30 C ATOM 306 CD PRO A 19 -5.748 -8.204 15.304 1.00 10.52 C ATOM 0 HA PRO A 19 -6.120 -6.658 12.458 1.00 25.14 H new ATOM 0 HB2 PRO A 19 -6.804 -5.119 14.667 1.00 23.04 H new ATOM 0 HB3 PRO A 19 -7.782 -6.496 14.198 1.00 23.04 H new ATOM 0 HG2 PRO A 19 -5.664 -6.317 16.332 1.00 34.30 H new ATOM 0 HG3 PRO A 19 -7.231 -7.098 16.401 1.00 34.30 H new ATOM 0 HD2 PRO A 19 -4.947 -8.519 15.973 1.00 10.52 H new ATOM 0 HD3 PRO A 19 -6.477 -9.014 15.275 1.00 10.52 H new ATOM 314 N HIS A 20 -4.968 -4.363 12.894 1.00 54.43 N ATOM 315 CA HIS A 20 -4.007 -3.272 12.775 1.00 22.25 C ATOM 316 C HIS A 20 -3.678 -2.687 14.146 1.00 63.14 C ATOM 317 O HIS A 20 -4.537 -2.618 15.024 1.00 54.40 O ATOM 318 CB HIS A 20 -4.555 -2.178 11.859 1.00 2.10 C ATOM 319 CG HIS A 20 -5.363 -2.705 10.713 1.00 23.13 C ATOM 320 ND1 HIS A 20 -4.803 -3.097 9.515 1.00 14.43 N ATOM 321 CD2 HIS A 20 -6.695 -2.906 10.588 1.00 33.22 C ATOM 322 CE1 HIS A 20 -5.757 -3.514 8.702 1.00 32.02 C ATOM 323 NE2 HIS A 20 -6.915 -3.409 9.329 1.00 21.24 N ATOM 0 H HIS A 20 -5.903 -4.140 12.553 1.00 54.43 H new ATOM 0 HA HIS A 20 -3.091 -3.673 12.341 1.00 22.25 H new ATOM 0 HB2 HIS A 20 -5.173 -1.499 12.447 1.00 2.10 H new ATOM 0 HB3 HIS A 20 -3.723 -1.593 11.467 1.00 2.10 H new ATOM 0 HD2 HIS A 20 -7.446 -2.708 11.339 1.00 33.22 H new ATOM 0 HE1 HIS A 20 -5.614 -3.879 7.696 1.00 32.02 H new ATOM 0 HE2 HIS A 20 -7.824 -3.660 8.941 1.00 21.24 H new ATOM 331 N TRP A 21 -2.429 -2.269 14.320 1.00 34.14 N ATOM 332 CA TRP A 21 -1.987 -1.691 15.584 1.00 12.13 C ATOM 333 C TRP A 21 -0.901 -0.646 15.354 1.00 11.23 C ATOM 334 O TRP A 21 0.006 -0.827 14.542 1.00 23.33 O ATOM 335 CB TRP A 21 -1.468 -2.787 16.516 1.00 32.04 C ATOM 336 CG TRP A 21 -0.883 -2.256 17.790 1.00 42.12 C ATOM 337 CD1 TRP A 21 0.383 -1.776 17.972 1.00 13.04 C ATOM 338 CD2 TRP A 21 -1.540 -2.153 19.058 1.00 61.14 C ATOM 339 NE1 TRP A 21 0.552 -1.381 19.278 1.00 72.04 N ATOM 340 CE2 TRP A 21 -0.613 -1.601 19.964 1.00 72.24 C ATOM 341 CE3 TRP A 21 -2.821 -2.471 19.515 1.00 33.53 C ATOM 342 CZ2 TRP A 21 -0.929 -1.363 21.299 1.00 70.34 C ATOM 343 CZ3 TRP A 21 -3.133 -2.235 20.841 1.00 71.14 C ATOM 344 CH2 TRP A 21 -2.191 -1.685 21.720 1.00 42.34 C ATOM 0 H TRP A 21 -1.705 -2.319 13.603 1.00 34.14 H new ATOM 0 HA TRP A 21 -2.843 -1.202 16.050 1.00 12.13 H new ATOM 0 HB2 TRP A 21 -2.285 -3.467 16.756 1.00 32.04 H new ATOM 0 HB3 TRP A 21 -0.711 -3.371 15.992 1.00 32.04 H new ATOM 0 HD1 TRP A 21 1.139 -1.716 17.203 1.00 13.04 H new ATOM 0 HE1 TRP A 21 1.407 -0.988 19.672 1.00 72.04 H new ATOM 0 HE3 TRP A 21 -3.555 -2.894 18.845 1.00 33.53 H new ATOM 0 HZ2 TRP A 21 -0.204 -0.939 21.978 1.00 70.34 H new ATOM 0 HZ3 TRP A 21 -4.120 -2.479 21.205 1.00 71.14 H new ATOM 0 HH2 TRP A 21 -2.466 -1.512 22.750 1.00 42.34 H new ATOM 355 N PRO A 22 -0.993 0.475 16.085 1.00 41.41 N ATOM 356 CA PRO A 22 -0.025 1.571 15.978 1.00 52.31 C ATOM 357 C PRO A 22 1.340 1.197 16.545 1.00 32.20 C ATOM 358 O PRO A 22 1.468 0.896 17.731 1.00 2.14 O ATOM 359 CB PRO A 22 -0.661 2.688 16.809 1.00 52.51 C ATOM 360 CG PRO A 22 -1.540 1.983 17.783 1.00 24.44 C ATOM 361 CD PRO A 22 -2.048 0.759 17.072 1.00 51.30 C ATOM 0 HA PRO A 22 0.164 1.847 14.941 1.00 52.31 H new ATOM 0 HB2 PRO A 22 0.097 3.283 17.319 1.00 52.51 H new ATOM 0 HB3 PRO A 22 -1.234 3.371 16.182 1.00 52.51 H new ATOM 0 HG2 PRO A 22 -0.987 1.711 18.682 1.00 24.44 H new ATOM 0 HG3 PRO A 22 -2.365 2.622 18.098 1.00 24.44 H new ATOM 0 HD2 PRO A 22 -2.190 -0.075 17.759 1.00 51.30 H new ATOM 0 HD3 PRO A 22 -3.009 0.943 16.591 1.00 51.30 H new ATOM 369 N ALA A 23 2.357 1.218 15.690 1.00 72.53 N ATOM 370 CA ALA A 23 3.713 0.882 16.107 1.00 53.53 C ATOM 371 C ALA A 23 4.718 1.898 15.573 1.00 33.33 C ATOM 372 O ALA A 23 4.338 2.918 14.998 1.00 60.31 O ATOM 373 CB ALA A 23 4.077 -0.519 15.640 1.00 22.11 C ATOM 0 H ALA A 23 2.268 1.464 14.704 1.00 72.53 H new ATOM 0 HA ALA A 23 3.750 0.910 17.196 1.00 53.53 H new ATOM 0 HB1 ALA A 23 5.092 -0.756 15.958 1.00 22.11 H new ATOM 0 HB2 ALA A 23 3.383 -1.239 16.074 1.00 22.11 H new ATOM 0 HB3 ALA A 23 4.017 -0.567 14.553 1.00 22.11 H new ATOM 379 N ARG A 24 6.001 1.612 15.769 1.00 52.11 N ATOM 380 CA ARG A 24 7.060 2.502 15.309 1.00 23.20 C ATOM 381 C ARG A 24 8.018 1.769 14.374 1.00 53.13 C ATOM 382 O ARG A 24 8.206 0.558 14.485 1.00 30.44 O ATOM 383 CB ARG A 24 7.831 3.071 16.502 1.00 61.24 C ATOM 384 CG ARG A 24 8.976 3.989 16.105 1.00 14.10 C ATOM 385 CD ARG A 24 10.308 3.257 16.120 1.00 62.35 C ATOM 386 NE ARG A 24 11.438 4.172 15.982 1.00 55.34 N ATOM 387 CZ ARG A 24 11.943 4.874 16.990 1.00 34.54 C ATOM 388 NH1 ARG A 24 11.422 4.764 18.205 1.00 55.04 N ATOM 389 NH2 ARG A 24 12.971 5.686 16.786 1.00 44.13 N ATOM 0 H ARG A 24 6.332 0.772 16.243 1.00 52.11 H new ATOM 0 HA ARG A 24 6.598 3.322 14.759 1.00 23.20 H new ATOM 0 HB2 ARG A 24 7.140 3.621 17.141 1.00 61.24 H new ATOM 0 HB3 ARG A 24 8.226 2.246 17.095 1.00 61.24 H new ATOM 0 HG2 ARG A 24 8.792 4.392 15.109 1.00 14.10 H new ATOM 0 HG3 ARG A 24 9.018 4.837 16.789 1.00 14.10 H new ATOM 0 HD2 ARG A 24 10.405 2.700 17.052 1.00 62.35 H new ATOM 0 HD3 ARG A 24 10.330 2.529 15.309 1.00 62.35 H new ATOM 0 HE ARG A 24 11.863 4.278 15.061 1.00 55.34 H new ATOM 0 HH11 ARG A 24 10.632 4.139 18.367 1.00 55.04 H new ATOM 0 HH12 ARG A 24 11.811 5.304 18.978 1.00 55.04 H new ATOM 0 HH21 ARG A 24 13.375 5.772 15.854 1.00 44.13 H new ATOM 0 HH22 ARG A 24 13.357 6.224 17.561 1.00 44.13 H new ATOM 403 N VAL A 25 8.620 2.512 13.451 1.00 40.42 N ATOM 404 CA VAL A 25 9.558 1.934 12.496 1.00 3.22 C ATOM 405 C VAL A 25 11.000 2.192 12.918 1.00 24.12 C ATOM 406 O VAL A 25 11.339 3.285 13.372 1.00 43.12 O ATOM 407 CB VAL A 25 9.340 2.501 11.081 1.00 51.11 C ATOM 408 CG1 VAL A 25 10.333 1.892 10.103 1.00 51.34 C ATOM 409 CG2 VAL A 25 7.910 2.256 10.624 1.00 71.31 C ATOM 0 H VAL A 25 8.475 3.516 13.344 1.00 40.42 H new ATOM 0 HA VAL A 25 9.373 0.860 12.481 1.00 3.22 H new ATOM 0 HB VAL A 25 9.509 3.577 11.109 1.00 51.11 H new ATOM 0 HG11 VAL A 25 10.164 2.305 9.108 1.00 51.34 H new ATOM 0 HG12 VAL A 25 11.349 2.124 10.424 1.00 51.34 H new ATOM 0 HG13 VAL A 25 10.199 0.811 10.075 1.00 51.34 H new ATOM 0 HG21 VAL A 25 7.773 2.663 9.622 1.00 71.31 H new ATOM 0 HG22 VAL A 25 7.711 1.184 10.611 1.00 71.31 H new ATOM 0 HG23 VAL A 25 7.220 2.745 11.311 1.00 71.31 H new ATOM 419 N ASP A 26 11.846 1.179 12.765 1.00 33.43 N ATOM 420 CA ASP A 26 13.253 1.295 13.129 1.00 41.41 C ATOM 421 C ASP A 26 14.129 1.404 11.884 1.00 13.45 C ATOM 422 O ASP A 26 13.688 1.100 10.776 1.00 5.54 O ATOM 423 CB ASP A 26 13.686 0.093 13.969 1.00 64.22 C ATOM 424 CG ASP A 26 14.586 0.487 15.123 1.00 4.03 C ATOM 425 OD1 ASP A 26 14.083 1.111 16.081 1.00 45.02 O ATOM 426 OD2 ASP A 26 15.794 0.172 15.069 1.00 11.30 O ATOM 0 H ASP A 26 11.581 0.268 12.391 1.00 33.43 H new ATOM 0 HA ASP A 26 13.376 2.203 13.719 1.00 41.41 H new ATOM 0 HB2 ASP A 26 12.802 -0.412 14.358 1.00 64.22 H new ATOM 0 HB3 ASP A 26 14.208 -0.622 13.333 1.00 64.22 H new ATOM 431 N GLU A 27 15.370 1.841 12.076 1.00 15.14 N ATOM 432 CA GLU A 27 16.306 1.992 10.969 1.00 75.15 C ATOM 433 C GLU A 27 16.879 0.640 10.553 1.00 10.10 C ATOM 434 O GLU A 27 16.750 -0.350 11.274 1.00 51.34 O ATOM 435 CB GLU A 27 17.440 2.942 11.356 1.00 3.22 C ATOM 436 CG GLU A 27 17.992 3.741 10.187 1.00 72.30 C ATOM 437 CD GLU A 27 18.905 4.867 10.629 1.00 5.21 C ATOM 438 OE1 GLU A 27 18.405 5.824 11.257 1.00 25.24 O ATOM 439 OE2 GLU A 27 20.119 4.793 10.347 1.00 65.32 O ATOM 0 H GLU A 27 15.750 2.096 12.988 1.00 15.14 H new ATOM 0 HA GLU A 27 15.763 2.413 10.123 1.00 75.15 H new ATOM 0 HB2 GLU A 27 17.080 3.632 12.119 1.00 3.22 H new ATOM 0 HB3 GLU A 27 18.249 2.365 11.805 1.00 3.22 H new ATOM 0 HG2 GLU A 27 18.540 3.073 9.522 1.00 72.30 H new ATOM 0 HG3 GLU A 27 17.164 4.155 9.611 1.00 72.30 H new ATOM 446 N VAL A 28 17.513 0.607 9.385 1.00 73.40 N ATOM 447 CA VAL A 28 18.107 -0.622 8.873 1.00 73.45 C ATOM 448 C VAL A 28 19.292 -1.057 9.726 1.00 24.34 C ATOM 449 O VAL A 28 19.940 -0.249 10.392 1.00 52.31 O ATOM 450 CB VAL A 28 18.573 -0.455 7.414 1.00 55.10 C ATOM 451 CG1 VAL A 28 17.377 -0.377 6.477 1.00 71.20 C ATOM 452 CG2 VAL A 28 19.451 0.779 7.274 1.00 1.01 C ATOM 0 H VAL A 28 17.628 1.417 8.776 1.00 73.40 H new ATOM 0 HA VAL A 28 17.333 -1.388 8.914 1.00 73.45 H new ATOM 0 HB VAL A 28 19.165 -1.328 7.137 1.00 55.10 H new ATOM 0 HG11 VAL A 28 17.726 -0.259 5.451 1.00 71.20 H new ATOM 0 HG12 VAL A 28 16.791 -1.292 6.558 1.00 71.20 H new ATOM 0 HG13 VAL A 28 16.756 0.477 6.750 1.00 71.20 H new ATOM 0 HG21 VAL A 28 19.771 0.882 6.237 1.00 1.01 H new ATOM 0 HG22 VAL A 28 18.886 1.663 7.569 1.00 1.01 H new ATOM 0 HG23 VAL A 28 20.326 0.678 7.916 1.00 1.01 H new ATOM 462 N PRO A 29 19.586 -2.366 9.708 1.00 0.05 N ATOM 463 CA PRO A 29 20.696 -2.939 10.475 1.00 5.32 C ATOM 464 C PRO A 29 22.056 -2.526 9.922 1.00 3.04 C ATOM 465 O PRO A 29 22.141 -1.846 8.899 1.00 32.15 O ATOM 466 CB PRO A 29 20.492 -4.448 10.321 1.00 4.15 C ATOM 467 CG PRO A 29 19.739 -4.600 9.045 1.00 30.34 C ATOM 468 CD PRO A 29 18.857 -3.387 8.938 1.00 71.21 C ATOM 0 HA PRO A 29 20.695 -2.599 11.510 1.00 5.32 H new ATOM 0 HB2 PRO A 29 21.446 -4.975 10.283 1.00 4.15 H new ATOM 0 HB3 PRO A 29 19.934 -4.860 11.162 1.00 4.15 H new ATOM 0 HG2 PRO A 29 20.419 -4.664 8.196 1.00 30.34 H new ATOM 0 HG3 PRO A 29 19.146 -5.515 9.048 1.00 30.34 H new ATOM 0 HD2 PRO A 29 18.716 -3.083 7.901 1.00 71.21 H new ATOM 0 HD3 PRO A 29 17.867 -3.572 9.354 1.00 71.21 H new ATOM 476 N ASP A 30 23.118 -2.941 10.604 1.00 32.45 N ATOM 477 CA ASP A 30 24.475 -2.616 10.180 1.00 14.14 C ATOM 478 C ASP A 30 24.763 -3.189 8.796 1.00 25.04 C ATOM 479 O ASP A 30 25.638 -2.701 8.082 1.00 71.34 O ATOM 480 CB ASP A 30 25.490 -3.153 11.190 1.00 1.44 C ATOM 481 CG ASP A 30 25.592 -2.282 12.427 1.00 33.14 C ATOM 482 OD1 ASP A 30 24.551 -2.052 13.078 1.00 70.32 O ATOM 483 OD2 ASP A 30 26.712 -1.830 12.745 1.00 51.23 O ATOM 0 H ASP A 30 23.065 -3.503 11.453 1.00 32.45 H new ATOM 0 HA ASP A 30 24.564 -1.531 10.130 1.00 14.14 H new ATOM 0 HB2 ASP A 30 25.206 -4.164 11.483 1.00 1.44 H new ATOM 0 HB3 ASP A 30 26.469 -3.221 10.716 1.00 1.44 H new ATOM 488 N GLY A 31 24.023 -4.229 8.425 1.00 14.14 N ATOM 489 CA GLY A 31 24.215 -4.852 7.129 1.00 22.20 C ATOM 490 C GLY A 31 24.524 -6.332 7.237 1.00 24.25 C ATOM 491 O GLY A 31 24.056 -7.132 6.428 1.00 51.11 O ATOM 0 H GLY A 31 23.294 -4.651 8.999 1.00 14.14 H new ATOM 0 HA2 GLY A 31 23.317 -4.715 6.527 1.00 22.20 H new ATOM 0 HA3 GLY A 31 25.030 -4.351 6.606 1.00 22.20 H new ATOM 495 N ALA A 32 25.317 -6.698 8.240 1.00 51.32 N ATOM 496 CA ALA A 32 25.688 -8.091 8.451 1.00 32.32 C ATOM 497 C ALA A 32 24.987 -8.666 9.678 1.00 43.22 C ATOM 498 O ALA A 32 25.442 -9.650 10.261 1.00 62.11 O ATOM 499 CB ALA A 32 27.197 -8.220 8.594 1.00 1.14 C ATOM 0 H ALA A 32 25.714 -6.048 8.919 1.00 51.32 H new ATOM 0 HA ALA A 32 25.367 -8.662 7.580 1.00 32.32 H new ATOM 0 HB1 ALA A 32 27.459 -9.266 8.751 1.00 1.14 H new ATOM 0 HB2 ALA A 32 27.681 -7.857 7.687 1.00 1.14 H new ATOM 0 HB3 ALA A 32 27.534 -7.630 9.446 1.00 1.14 H new ATOM 505 N VAL A 33 23.878 -8.044 10.065 1.00 31.53 N ATOM 506 CA VAL A 33 23.114 -8.495 11.223 1.00 41.51 C ATOM 507 C VAL A 33 22.116 -9.579 10.835 1.00 73.24 C ATOM 508 O VAL A 33 21.357 -10.069 11.672 1.00 63.34 O ATOM 509 CB VAL A 33 22.357 -7.328 11.884 1.00 54.53 C ATOM 510 CG1 VAL A 33 21.856 -7.728 13.263 1.00 61.51 C ATOM 511 CG2 VAL A 33 23.245 -6.095 11.967 1.00 31.51 C ATOM 0 H VAL A 33 23.489 -7.227 9.594 1.00 31.53 H new ATOM 0 HA VAL A 33 23.830 -8.904 11.935 1.00 41.51 H new ATOM 0 HB VAL A 33 21.492 -7.084 11.267 1.00 54.53 H new ATOM 0 HG11 VAL A 33 21.324 -6.890 13.714 1.00 61.51 H new ATOM 0 HG12 VAL A 33 21.182 -8.580 13.172 1.00 61.51 H new ATOM 0 HG13 VAL A 33 22.703 -8.001 13.893 1.00 61.51 H new ATOM 0 HG21 VAL A 33 22.694 -5.280 12.437 1.00 31.51 H new ATOM 0 HG22 VAL A 33 24.130 -6.323 12.560 1.00 31.51 H new ATOM 0 HG23 VAL A 33 23.548 -5.797 10.963 1.00 31.51 H new ATOM 521 N LYS A 34 22.121 -9.951 9.559 1.00 32.10 N ATOM 522 CA LYS A 34 21.217 -10.980 9.058 1.00 42.32 C ATOM 523 C LYS A 34 19.763 -10.535 9.184 1.00 65.31 C ATOM 524 O LYS A 34 19.009 -11.029 10.022 1.00 73.21 O ATOM 525 CB LYS A 34 21.429 -12.290 9.820 1.00 1.54 C ATOM 526 CG LYS A 34 20.766 -13.489 9.165 1.00 10.25 C ATOM 527 CD LYS A 34 21.591 -14.017 8.004 1.00 52.34 C ATOM 528 CE LYS A 34 22.749 -14.875 8.487 1.00 24.33 C ATOM 529 NZ LYS A 34 23.435 -15.567 7.361 1.00 61.11 N ATOM 0 H LYS A 34 22.741 -9.555 8.853 1.00 32.10 H new ATOM 0 HA LYS A 34 21.439 -11.141 8.003 1.00 42.32 H new ATOM 0 HB2 LYS A 34 22.499 -12.480 9.908 1.00 1.54 H new ATOM 0 HB3 LYS A 34 21.040 -12.179 10.832 1.00 1.54 H new ATOM 0 HG2 LYS A 34 20.629 -14.279 9.904 1.00 10.25 H new ATOM 0 HG3 LYS A 34 19.774 -13.209 8.810 1.00 10.25 H new ATOM 0 HD2 LYS A 34 20.954 -14.603 7.341 1.00 52.34 H new ATOM 0 HD3 LYS A 34 21.975 -13.181 7.420 1.00 52.34 H new ATOM 0 HE2 LYS A 34 23.466 -14.250 9.020 1.00 24.33 H new ATOM 0 HE3 LYS A 34 22.381 -15.615 9.198 1.00 24.33 H new ATOM 0 HZ1 LYS A 34 24.218 -16.142 7.732 1.00 61.11 H new ATOM 0 HZ2 LYS A 34 22.758 -16.183 6.868 1.00 61.11 H new ATOM 0 HZ3 LYS A 34 23.809 -14.861 6.696 1.00 61.11 H new ATOM 543 N PRO A 35 19.359 -9.582 8.332 1.00 42.42 N ATOM 544 CA PRO A 35 17.992 -9.052 8.327 1.00 5.43 C ATOM 545 C PRO A 35 16.977 -10.071 7.822 1.00 42.12 C ATOM 546 O PRO A 35 17.330 -11.110 7.264 1.00 72.03 O ATOM 547 CB PRO A 35 18.077 -7.861 7.369 1.00 0.23 C ATOM 548 CG PRO A 35 19.221 -8.179 6.469 1.00 33.03 C ATOM 549 CD PRO A 35 20.205 -8.948 7.307 1.00 42.34 C ATOM 0 HA PRO A 35 17.654 -8.787 9.329 1.00 5.43 H new ATOM 0 HB2 PRO A 35 17.152 -7.740 6.805 1.00 0.23 H new ATOM 0 HB3 PRO A 35 18.246 -6.930 7.909 1.00 0.23 H new ATOM 0 HG2 PRO A 35 18.892 -8.769 5.613 1.00 33.03 H new ATOM 0 HG3 PRO A 35 19.672 -7.269 6.074 1.00 33.03 H new ATOM 0 HD2 PRO A 35 20.743 -9.689 6.716 1.00 42.34 H new ATOM 0 HD3 PRO A 35 20.952 -8.292 7.753 1.00 42.34 H new ATOM 557 N PRO A 36 15.685 -9.769 8.020 1.00 4.02 N ATOM 558 CA PRO A 36 14.592 -10.646 7.591 1.00 64.34 C ATOM 559 C PRO A 36 14.450 -10.694 6.073 1.00 34.02 C ATOM 560 O PRO A 36 15.134 -9.968 5.351 1.00 12.11 O ATOM 561 CB PRO A 36 13.354 -10.007 8.224 1.00 4.04 C ATOM 562 CG PRO A 36 13.715 -8.572 8.397 1.00 45.00 C ATOM 563 CD PRO A 36 15.192 -8.548 8.679 1.00 44.44 C ATOM 0 HA PRO A 36 14.756 -11.680 7.894 1.00 64.34 H new ATOM 0 HB2 PRO A 36 12.479 -10.121 7.584 1.00 4.04 H new ATOM 0 HB3 PRO A 36 13.113 -10.473 9.180 1.00 4.04 H new ATOM 0 HG2 PRO A 36 13.480 -7.999 7.500 1.00 45.00 H new ATOM 0 HG3 PRO A 36 13.154 -8.124 9.217 1.00 45.00 H new ATOM 0 HD2 PRO A 36 15.664 -7.654 8.273 1.00 44.44 H new ATOM 0 HD3 PRO A 36 15.397 -8.558 9.750 1.00 44.44 H new ATOM 571 N THR A 37 13.556 -11.554 5.594 1.00 13.41 N ATOM 572 CA THR A 37 13.324 -11.696 4.162 1.00 34.44 C ATOM 573 C THR A 37 12.282 -10.697 3.672 1.00 44.12 C ATOM 574 O THR A 37 11.080 -10.925 3.801 1.00 64.13 O ATOM 575 CB THR A 37 12.858 -13.121 3.808 1.00 32.32 C ATOM 576 OG1 THR A 37 13.861 -14.072 4.183 1.00 12.01 O ATOM 577 CG2 THR A 37 12.569 -13.242 2.319 1.00 11.35 C ATOM 0 H THR A 37 12.981 -12.162 6.177 1.00 13.41 H new ATOM 0 HA THR A 37 14.274 -11.498 3.666 1.00 34.44 H new ATOM 0 HB THR A 37 11.940 -13.326 4.358 1.00 32.32 H new ATOM 0 HG1 THR A 37 13.556 -14.975 3.956 1.00 12.01 H new ATOM 0 HG21 THR A 37 12.242 -14.257 2.093 1.00 11.35 H new ATOM 0 HG22 THR A 37 11.785 -12.538 2.042 1.00 11.35 H new ATOM 0 HG23 THR A 37 13.474 -13.018 1.753 1.00 11.35 H new ATOM 585 N ASN A 38 12.752 -9.589 3.108 1.00 1.20 N ATOM 586 CA ASN A 38 11.860 -8.554 2.598 1.00 44.25 C ATOM 587 C ASN A 38 10.947 -8.029 3.702 1.00 63.34 C ATOM 588 O ASN A 38 9.735 -7.917 3.519 1.00 11.21 O ATOM 589 CB ASN A 38 11.020 -9.100 1.442 1.00 72.32 C ATOM 590 CG ASN A 38 11.780 -9.113 0.130 1.00 52.14 C ATOM 591 OD1 ASN A 38 11.443 -8.383 -0.803 1.00 1.44 O ATOM 592 ND2 ASN A 38 12.811 -9.946 0.051 1.00 2.33 N ATOM 0 H ASN A 38 13.745 -9.385 2.993 1.00 1.20 H new ATOM 0 HA ASN A 38 12.472 -7.728 2.235 1.00 44.25 H new ATOM 0 HB2 ASN A 38 10.694 -10.113 1.680 1.00 72.32 H new ATOM 0 HB3 ASN A 38 10.121 -8.494 1.332 1.00 72.32 H new ATOM 0 HD21 ASN A 38 13.359 -9.999 -0.808 1.00 2.33 H new ATOM 0 HD22 ASN A 38 13.055 -10.533 0.849 1.00 2.33 H new ATOM 599 N LYS A 39 11.538 -7.709 4.848 1.00 61.01 N ATOM 600 CA LYS A 39 10.780 -7.194 5.982 1.00 21.31 C ATOM 601 C LYS A 39 11.576 -6.130 6.730 1.00 10.23 C ATOM 602 O LYS A 39 12.795 -6.035 6.585 1.00 44.14 O ATOM 603 CB LYS A 39 10.411 -8.334 6.935 1.00 42.14 C ATOM 604 CG LYS A 39 9.967 -9.601 6.224 1.00 14.42 C ATOM 605 CD LYS A 39 9.057 -10.443 7.103 1.00 54.32 C ATOM 606 CE LYS A 39 7.623 -10.428 6.596 1.00 14.51 C ATOM 607 NZ LYS A 39 6.713 -11.206 7.482 1.00 41.31 N ATOM 0 H LYS A 39 12.540 -7.797 5.016 1.00 61.01 H new ATOM 0 HA LYS A 39 9.867 -6.738 5.600 1.00 21.31 H new ATOM 0 HB2 LYS A 39 11.271 -8.563 7.565 1.00 42.14 H new ATOM 0 HB3 LYS A 39 9.612 -7.999 7.596 1.00 42.14 H new ATOM 0 HG2 LYS A 39 9.445 -9.339 5.304 1.00 14.42 H new ATOM 0 HG3 LYS A 39 10.842 -10.185 5.939 1.00 14.42 H new ATOM 0 HD2 LYS A 39 9.424 -11.469 7.131 1.00 54.32 H new ATOM 0 HD3 LYS A 39 9.087 -10.066 8.125 1.00 54.32 H new ATOM 0 HE2 LYS A 39 7.272 -9.398 6.530 1.00 14.51 H new ATOM 0 HE3 LYS A 39 7.590 -10.842 5.588 1.00 14.51 H new ATOM 0 HZ1 LYS A 39 5.745 -11.171 7.102 1.00 41.31 H new ATOM 0 HZ2 LYS A 39 7.033 -12.195 7.526 1.00 41.31 H new ATOM 0 HZ3 LYS A 39 6.725 -10.796 8.438 1.00 41.31 H new ATOM 621 N LEU A 40 10.880 -5.332 7.532 1.00 13.22 N ATOM 622 CA LEU A 40 11.522 -4.274 8.305 1.00 20.42 C ATOM 623 C LEU A 40 11.165 -4.387 9.784 1.00 53.12 C ATOM 624 O LEU A 40 10.157 -4.986 10.160 1.00 1.03 O ATOM 625 CB LEU A 40 11.108 -2.902 7.772 1.00 54.13 C ATOM 626 CG LEU A 40 9.674 -2.789 7.251 1.00 65.13 C ATOM 627 CD1 LEU A 40 9.133 -1.386 7.477 1.00 20.12 C ATOM 628 CD2 LEU A 40 9.613 -3.154 5.775 1.00 63.53 C ATOM 0 H LEU A 40 9.871 -5.397 7.664 1.00 13.22 H new ATOM 0 HA LEU A 40 12.601 -4.386 8.201 1.00 20.42 H new ATOM 0 HB2 LEU A 40 11.243 -2.169 8.568 1.00 54.13 H new ATOM 0 HB3 LEU A 40 11.789 -2.627 6.966 1.00 54.13 H new ATOM 0 HG LEU A 40 9.050 -3.491 7.805 1.00 65.13 H new ATOM 0 HD11 LEU A 40 8.112 -1.325 7.100 1.00 20.12 H new ATOM 0 HD12 LEU A 40 9.140 -1.161 8.543 1.00 20.12 H new ATOM 0 HD13 LEU A 40 9.758 -0.666 6.950 1.00 20.12 H new ATOM 0 HD21 LEU A 40 8.586 -3.068 5.421 1.00 63.53 H new ATOM 0 HD22 LEU A 40 10.251 -2.477 5.206 1.00 63.53 H new ATOM 0 HD23 LEU A 40 9.959 -4.179 5.639 1.00 63.53 H new ATOM 640 N PRO A 41 12.008 -3.796 10.643 1.00 11.13 N ATOM 641 CA PRO A 41 11.800 -3.814 12.094 1.00 4.43 C ATOM 642 C PRO A 41 10.612 -2.959 12.520 1.00 13.24 C ATOM 643 O PRO A 41 10.565 -1.761 12.241 1.00 41.53 O ATOM 644 CB PRO A 41 13.104 -3.230 12.646 1.00 34.21 C ATOM 645 CG PRO A 41 13.637 -2.384 11.542 1.00 24.30 C ATOM 646 CD PRO A 41 13.228 -3.064 10.265 1.00 65.33 C ATOM 0 HA PRO A 41 11.576 -4.815 12.461 1.00 4.43 H new ATOM 0 HB2 PRO A 41 12.924 -2.641 13.545 1.00 34.21 H new ATOM 0 HB3 PRO A 41 13.807 -4.018 12.916 1.00 34.21 H new ATOM 0 HG2 PRO A 41 13.231 -1.374 11.594 1.00 24.30 H new ATOM 0 HG3 PRO A 41 14.721 -2.295 11.607 1.00 24.30 H new ATOM 0 HD2 PRO A 41 13.034 -2.343 9.470 1.00 65.33 H new ATOM 0 HD3 PRO A 41 14.004 -3.738 9.902 1.00 65.33 H new ATOM 654 N ILE A 42 9.654 -3.582 13.198 1.00 14.12 N ATOM 655 CA ILE A 42 8.466 -2.877 13.664 1.00 52.02 C ATOM 656 C ILE A 42 8.323 -2.981 15.178 1.00 3.15 C ATOM 657 O ILE A 42 7.950 -4.028 15.707 1.00 20.23 O ATOM 658 CB ILE A 42 7.189 -3.426 13.000 1.00 30.15 C ATOM 659 CG1 ILE A 42 7.377 -3.525 11.485 1.00 2.42 C ATOM 660 CG2 ILE A 42 5.996 -2.543 13.335 1.00 3.13 C ATOM 661 CD1 ILE A 42 7.651 -2.193 10.823 1.00 42.44 C ATOM 0 H ILE A 42 9.677 -4.573 13.437 1.00 14.12 H new ATOM 0 HA ILE A 42 8.590 -1.831 13.385 1.00 52.02 H new ATOM 0 HB ILE A 42 6.997 -4.426 13.389 1.00 30.15 H new ATOM 0 HG12 ILE A 42 8.203 -4.204 11.273 1.00 2.42 H new ATOM 0 HG13 ILE A 42 6.482 -3.964 11.044 1.00 2.42 H new ATOM 0 HG21 ILE A 42 5.101 -2.944 12.859 1.00 3.13 H new ATOM 0 HG22 ILE A 42 5.852 -2.520 14.415 1.00 3.13 H new ATOM 0 HG23 ILE A 42 6.178 -1.532 12.971 1.00 3.13 H new ATOM 0 HD11 ILE A 42 7.774 -2.339 9.750 1.00 42.44 H new ATOM 0 HD12 ILE A 42 6.815 -1.518 11.004 1.00 42.44 H new ATOM 0 HD13 ILE A 42 8.562 -1.761 11.237 1.00 42.44 H new ATOM 673 N PHE A 43 8.622 -1.887 15.872 1.00 74.12 N ATOM 674 CA PHE A 43 8.526 -1.854 17.327 1.00 70.35 C ATOM 675 C PHE A 43 7.083 -1.637 17.772 1.00 51.40 C ATOM 676 O PHE A 43 6.563 -0.522 17.710 1.00 65.14 O ATOM 677 CB PHE A 43 9.419 -0.748 17.893 1.00 72.14 C ATOM 678 CG PHE A 43 9.597 -0.825 19.382 1.00 14.31 C ATOM 679 CD1 PHE A 43 9.959 -2.016 19.989 1.00 20.24 C ATOM 680 CD2 PHE A 43 9.402 0.295 20.175 1.00 72.22 C ATOM 681 CE1 PHE A 43 10.122 -2.089 21.360 1.00 64.42 C ATOM 682 CE2 PHE A 43 9.564 0.228 21.546 1.00 62.32 C ATOM 683 CZ PHE A 43 9.926 -0.966 22.139 1.00 40.11 C ATOM 0 H PHE A 43 8.933 -1.012 15.450 1.00 74.12 H new ATOM 0 HA PHE A 43 8.865 -2.816 17.711 1.00 70.35 H new ATOM 0 HB2 PHE A 43 10.397 -0.801 17.415 1.00 72.14 H new ATOM 0 HB3 PHE A 43 8.991 0.221 17.636 1.00 72.14 H new ATOM 0 HD1 PHE A 43 10.116 -2.897 19.385 1.00 20.24 H new ATOM 0 HD2 PHE A 43 9.120 1.231 19.716 1.00 72.22 H new ATOM 0 HE1 PHE A 43 10.403 -3.024 21.822 1.00 64.42 H new ATOM 0 HE2 PHE A 43 9.408 1.108 22.153 1.00 62.32 H new ATOM 0 HZ PHE A 43 10.055 -1.021 23.210 1.00 40.11 H new ATOM 693 N PHE A 44 6.440 -2.710 18.221 1.00 4.42 N ATOM 694 CA PHE A 44 5.057 -2.638 18.676 1.00 53.41 C ATOM 695 C PHE A 44 4.945 -1.805 19.950 1.00 45.03 C ATOM 696 O PHE A 44 5.470 -2.181 20.998 1.00 4.42 O ATOM 697 CB PHE A 44 4.505 -4.043 18.922 1.00 33.20 C ATOM 698 CG PHE A 44 3.915 -4.679 17.696 1.00 42.05 C ATOM 699 CD1 PHE A 44 2.949 -4.019 16.954 1.00 72.35 C ATOM 700 CD2 PHE A 44 4.327 -5.937 17.285 1.00 1.40 C ATOM 701 CE1 PHE A 44 2.404 -4.601 15.824 1.00 25.41 C ATOM 702 CE2 PHE A 44 3.787 -6.523 16.156 1.00 32.44 C ATOM 703 CZ PHE A 44 2.823 -5.856 15.426 1.00 44.43 C ATOM 0 H PHE A 44 6.855 -3.640 18.279 1.00 4.42 H new ATOM 0 HA PHE A 44 4.469 -2.156 17.895 1.00 53.41 H new ATOM 0 HB2 PHE A 44 5.306 -4.678 19.301 1.00 33.20 H new ATOM 0 HB3 PHE A 44 3.742 -3.994 19.699 1.00 33.20 H new ATOM 0 HD1 PHE A 44 2.618 -3.038 17.262 1.00 72.35 H new ATOM 0 HD2 PHE A 44 5.078 -6.465 17.853 1.00 1.40 H new ATOM 0 HE1 PHE A 44 1.652 -4.075 15.254 1.00 25.41 H new ATOM 0 HE2 PHE A 44 4.119 -7.502 15.845 1.00 32.44 H new ATOM 0 HZ PHE A 44 2.397 -6.315 14.546 1.00 44.43 H new ATOM 713 N PHE A 45 4.259 -0.672 19.851 1.00 53.34 N ATOM 714 CA PHE A 45 4.079 0.216 20.994 1.00 42.05 C ATOM 715 C PHE A 45 3.009 -0.323 21.938 1.00 73.01 C ATOM 716 O PHE A 45 2.017 -0.905 21.502 1.00 75.02 O ATOM 717 CB PHE A 45 3.698 1.620 20.521 1.00 51.34 C ATOM 718 CG PHE A 45 4.831 2.604 20.587 1.00 23.33 C ATOM 719 CD1 PHE A 45 5.900 2.510 19.710 1.00 32.22 C ATOM 720 CD2 PHE A 45 4.828 3.622 21.527 1.00 51.24 C ATOM 721 CE1 PHE A 45 6.944 3.413 19.770 1.00 23.11 C ATOM 722 CE2 PHE A 45 5.870 4.529 21.591 1.00 75.50 C ATOM 723 CZ PHE A 45 6.929 4.424 20.711 1.00 54.23 C ATOM 0 H PHE A 45 3.818 -0.346 18.991 1.00 53.34 H new ATOM 0 HA PHE A 45 5.024 0.267 21.535 1.00 42.05 H new ATOM 0 HB2 PHE A 45 3.336 1.563 19.494 1.00 51.34 H new ATOM 0 HB3 PHE A 45 2.872 1.988 21.130 1.00 51.34 H new ATOM 0 HD1 PHE A 45 5.917 1.722 18.971 1.00 32.22 H new ATOM 0 HD2 PHE A 45 4.002 3.708 22.218 1.00 51.24 H new ATOM 0 HE1 PHE A 45 7.772 3.328 19.081 1.00 23.11 H new ATOM 0 HE2 PHE A 45 5.856 5.318 22.328 1.00 75.50 H new ATOM 0 HZ PHE A 45 7.744 5.131 20.758 1.00 54.23 H new ATOM 733 N GLY A 46 3.219 -0.125 23.236 1.00 53.21 N ATOM 734 CA GLY A 46 2.265 -0.597 24.222 1.00 33.03 C ATOM 735 C GLY A 46 2.598 -1.984 24.734 1.00 63.44 C ATOM 736 O GLY A 46 2.411 -2.282 25.914 1.00 11.30 O ATOM 0 H GLY A 46 4.033 0.354 23.622 1.00 53.21 H new ATOM 0 HA2 GLY A 46 2.239 0.100 25.060 1.00 33.03 H new ATOM 0 HA3 GLY A 46 1.267 -0.605 23.783 1.00 33.03 H new ATOM 740 N THR A 47 3.093 -2.839 23.843 1.00 1.32 N ATOM 741 CA THR A 47 3.451 -4.203 24.210 1.00 73.13 C ATOM 742 C THR A 47 4.963 -4.395 24.205 1.00 31.25 C ATOM 743 O THR A 47 5.466 -5.451 24.591 1.00 72.33 O ATOM 744 CB THR A 47 2.812 -5.228 23.253 1.00 12.42 C ATOM 745 OG1 THR A 47 3.384 -5.101 21.947 1.00 62.43 O ATOM 746 CG2 THR A 47 1.306 -5.028 23.174 1.00 72.00 C ATOM 0 H THR A 47 3.255 -2.610 22.862 1.00 1.32 H new ATOM 0 HA THR A 47 3.070 -4.370 25.217 1.00 73.13 H new ATOM 0 HB THR A 47 3.010 -6.227 23.641 1.00 12.42 H new ATOM 0 HG1 THR A 47 3.079 -5.842 21.383 1.00 62.43 H new ATOM 0 HG21 THR A 47 0.877 -5.763 22.493 1.00 72.00 H new ATOM 0 HG22 THR A 47 0.870 -5.154 24.165 1.00 72.00 H new ATOM 0 HG23 THR A 47 1.091 -4.024 22.808 1.00 72.00 H new ATOM 754 N HIS A 48 5.684 -3.368 23.768 1.00 2.10 N ATOM 755 CA HIS A 48 7.141 -3.424 23.715 1.00 13.32 C ATOM 756 C HIS A 48 7.610 -4.650 22.938 1.00 35.44 C ATOM 757 O HIS A 48 8.654 -5.226 23.241 1.00 1.24 O ATOM 758 CB HIS A 48 7.723 -3.448 25.129 1.00 51.42 C ATOM 759 CG HIS A 48 7.622 -2.134 25.840 1.00 13.35 C ATOM 760 ND1 HIS A 48 8.067 -0.947 25.297 1.00 25.33 N ATOM 761 CD2 HIS A 48 7.120 -1.823 27.059 1.00 62.13 C ATOM 762 CE1 HIS A 48 7.846 0.036 26.151 1.00 2.03 C ATOM 763 NE2 HIS A 48 7.272 -0.469 27.228 1.00 13.22 N ATOM 0 H HIS A 48 5.284 -2.487 23.445 1.00 2.10 H new ATOM 0 HA HIS A 48 7.496 -2.532 23.199 1.00 13.32 H new ATOM 0 HB2 HIS A 48 7.205 -4.209 25.713 1.00 51.42 H new ATOM 0 HB3 HIS A 48 8.771 -3.744 25.077 1.00 51.42 H new ATOM 0 HD1 HIS A 48 8.499 -0.844 24.379 1.00 25.33 H new ATOM 0 HD2 HIS A 48 6.682 -2.512 27.766 1.00 62.13 H new ATOM 0 HE1 HIS A 48 8.093 1.076 25.995 1.00 2.03 H new ATOM 771 N GLU A 49 6.829 -5.045 21.937 1.00 43.52 N ATOM 772 CA GLU A 49 7.165 -6.204 21.119 1.00 50.15 C ATOM 773 C GLU A 49 7.827 -5.775 19.812 1.00 12.42 C ATOM 774 O GLU A 49 7.944 -4.583 19.524 1.00 73.14 O ATOM 775 CB GLU A 49 5.910 -7.027 20.821 1.00 53.52 C ATOM 776 CG GLU A 49 5.175 -7.488 22.068 1.00 74.31 C ATOM 777 CD GLU A 49 3.885 -8.219 21.748 1.00 52.30 C ATOM 778 OE1 GLU A 49 2.942 -7.567 21.251 1.00 2.24 O ATOM 779 OE2 GLU A 49 3.818 -9.441 21.994 1.00 13.11 O ATOM 0 H GLU A 49 5.960 -4.580 21.674 1.00 43.52 H new ATOM 0 HA GLU A 49 7.870 -6.819 21.679 1.00 50.15 H new ATOM 0 HB2 GLU A 49 5.232 -6.432 20.209 1.00 53.52 H new ATOM 0 HB3 GLU A 49 6.190 -7.900 20.231 1.00 53.52 H new ATOM 0 HG2 GLU A 49 5.825 -8.143 22.647 1.00 74.31 H new ATOM 0 HG3 GLU A 49 4.953 -6.624 22.695 1.00 74.31 H new ATOM 786 N THR A 50 8.259 -6.755 19.025 1.00 45.42 N ATOM 787 CA THR A 50 8.911 -6.480 17.750 1.00 0.15 C ATOM 788 C THR A 50 8.572 -7.548 16.718 1.00 75.53 C ATOM 789 O THR A 50 8.769 -8.740 16.955 1.00 3.43 O ATOM 790 CB THR A 50 10.441 -6.402 17.907 1.00 4.54 C ATOM 791 OG1 THR A 50 11.068 -6.425 16.620 1.00 73.31 O ATOM 792 CG2 THR A 50 10.959 -7.557 18.750 1.00 31.41 C ATOM 0 H THR A 50 8.169 -7.746 19.248 1.00 45.42 H new ATOM 0 HA THR A 50 8.539 -5.515 17.406 1.00 0.15 H new ATOM 0 HB THR A 50 10.684 -5.467 18.412 1.00 4.54 H new ATOM 0 HG1 THR A 50 12.041 -6.373 16.729 1.00 73.31 H new ATOM 0 HG21 THR A 50 12.042 -7.480 18.847 1.00 31.41 H new ATOM 0 HG22 THR A 50 10.503 -7.519 19.739 1.00 31.41 H new ATOM 0 HG23 THR A 50 10.704 -8.501 18.269 1.00 31.41 H new ATOM 800 N ALA A 51 8.060 -7.115 15.570 1.00 1.44 N ATOM 801 CA ALA A 51 7.696 -8.035 14.500 1.00 12.41 C ATOM 802 C ALA A 51 8.198 -7.533 13.150 1.00 30.14 C ATOM 803 O ALA A 51 8.178 -6.333 12.876 1.00 13.01 O ATOM 804 CB ALA A 51 6.188 -8.232 14.464 1.00 15.22 C ATOM 0 H ALA A 51 7.888 -6.132 15.358 1.00 1.44 H new ATOM 0 HA ALA A 51 8.172 -8.995 14.702 1.00 12.41 H new ATOM 0 HB1 ALA A 51 5.930 -8.921 13.660 1.00 15.22 H new ATOM 0 HB2 ALA A 51 5.852 -8.643 15.416 1.00 15.22 H new ATOM 0 HB3 ALA A 51 5.700 -7.273 14.290 1.00 15.22 H new ATOM 810 N PHE A 52 8.649 -8.459 12.311 1.00 70.12 N ATOM 811 CA PHE A 52 9.158 -8.110 10.990 1.00 63.34 C ATOM 812 C PHE A 52 8.061 -8.226 9.936 1.00 51.42 C ATOM 813 O PHE A 52 7.549 -9.315 9.672 1.00 1.34 O ATOM 814 CB PHE A 52 10.335 -9.015 10.618 1.00 31.11 C ATOM 815 CG PHE A 52 11.589 -8.715 11.388 1.00 11.54 C ATOM 816 CD1 PHE A 52 12.074 -7.419 11.469 1.00 23.31 C ATOM 817 CD2 PHE A 52 12.282 -9.727 12.032 1.00 12.02 C ATOM 818 CE1 PHE A 52 13.228 -7.140 12.177 1.00 63.25 C ATOM 819 CE2 PHE A 52 13.436 -9.454 12.742 1.00 42.15 C ATOM 820 CZ PHE A 52 13.909 -8.158 12.815 1.00 64.54 C ATOM 0 H PHE A 52 8.672 -9.457 12.522 1.00 70.12 H new ATOM 0 HA PHE A 52 9.499 -7.075 11.022 1.00 63.34 H new ATOM 0 HB2 PHE A 52 10.053 -10.054 10.790 1.00 31.11 H new ATOM 0 HB3 PHE A 52 10.539 -8.912 9.552 1.00 31.11 H new ATOM 0 HD1 PHE A 52 11.545 -6.619 10.974 1.00 23.31 H new ATOM 0 HD2 PHE A 52 11.916 -10.742 11.979 1.00 12.02 H new ATOM 0 HE1 PHE A 52 13.597 -6.126 12.231 1.00 63.25 H new ATOM 0 HE2 PHE A 52 13.967 -10.252 13.239 1.00 42.15 H new ATOM 0 HZ PHE A 52 14.810 -7.941 13.370 1.00 64.54 H new ATOM 830 N LEU A 53 7.704 -7.095 9.336 1.00 32.33 N ATOM 831 CA LEU A 53 6.666 -7.068 8.311 1.00 45.31 C ATOM 832 C LEU A 53 7.049 -6.125 7.174 1.00 2.04 C ATOM 833 O LEU A 53 7.318 -4.945 7.397 1.00 73.23 O ATOM 834 CB LEU A 53 5.331 -6.635 8.920 1.00 64.44 C ATOM 835 CG LEU A 53 4.961 -7.284 10.254 1.00 74.02 C ATOM 836 CD1 LEU A 53 3.863 -6.491 10.946 1.00 4.23 C ATOM 837 CD2 LEU A 53 4.526 -8.727 10.043 1.00 70.03 C ATOM 0 H LEU A 53 8.118 -6.186 9.542 1.00 32.33 H new ATOM 0 HA LEU A 53 6.564 -8.075 7.906 1.00 45.31 H new ATOM 0 HB2 LEU A 53 5.351 -5.554 9.058 1.00 64.44 H new ATOM 0 HB3 LEU A 53 4.540 -6.851 8.202 1.00 64.44 H new ATOM 0 HG LEU A 53 5.843 -7.281 10.895 1.00 74.02 H new ATOM 0 HD11 LEU A 53 3.612 -6.967 11.894 1.00 4.23 H new ATOM 0 HD12 LEU A 53 4.210 -5.474 11.131 1.00 4.23 H new ATOM 0 HD13 LEU A 53 2.979 -6.462 10.309 1.00 4.23 H new ATOM 0 HD21 LEU A 53 4.266 -9.173 11.003 1.00 70.03 H new ATOM 0 HD22 LEU A 53 3.658 -8.753 9.384 1.00 70.03 H new ATOM 0 HD23 LEU A 53 5.342 -9.290 9.590 1.00 70.03 H new ATOM 849 N GLY A 54 7.070 -6.654 5.955 1.00 71.23 N ATOM 850 CA GLY A 54 7.419 -5.846 4.801 1.00 14.32 C ATOM 851 C GLY A 54 6.558 -4.603 4.682 1.00 23.35 C ATOM 852 O GLY A 54 5.652 -4.371 5.483 1.00 42.11 O ATOM 0 H GLY A 54 6.852 -7.628 5.746 1.00 71.23 H new ATOM 0 HA2 GLY A 54 8.467 -5.553 4.870 1.00 14.32 H new ATOM 0 HA3 GLY A 54 7.314 -6.445 3.897 1.00 14.32 H new ATOM 856 N PRO A 55 6.841 -3.778 3.664 1.00 62.14 N ATOM 857 CA PRO A 55 6.098 -2.538 3.420 1.00 64.13 C ATOM 858 C PRO A 55 4.675 -2.800 2.941 1.00 55.12 C ATOM 859 O PRO A 55 3.769 -2.002 3.186 1.00 22.43 O ATOM 860 CB PRO A 55 6.913 -1.847 2.323 1.00 14.33 C ATOM 861 CG PRO A 55 7.620 -2.954 1.622 1.00 64.12 C ATOM 862 CD PRO A 55 7.908 -3.992 2.671 1.00 75.30 C ATOM 0 HA PRO A 55 5.987 -1.944 4.327 1.00 64.13 H new ATOM 0 HB2 PRO A 55 6.268 -1.294 1.640 1.00 14.33 H new ATOM 0 HB3 PRO A 55 7.619 -1.131 2.745 1.00 14.33 H new ATOM 0 HG2 PRO A 55 7.003 -3.367 0.824 1.00 64.12 H new ATOM 0 HG3 PRO A 55 8.542 -2.598 1.162 1.00 64.12 H new ATOM 0 HD2 PRO A 55 7.876 -5.000 2.258 1.00 75.30 H new ATOM 0 HD3 PRO A 55 8.897 -3.858 3.109 1.00 75.30 H new ATOM 870 N LYS A 56 4.482 -3.922 2.257 1.00 64.55 N ATOM 871 CA LYS A 56 3.168 -4.291 1.744 1.00 21.42 C ATOM 872 C LYS A 56 2.282 -4.836 2.860 1.00 2.22 C ATOM 873 O LYS A 56 1.104 -5.122 2.647 1.00 50.24 O ATOM 874 CB LYS A 56 3.306 -5.335 0.633 1.00 54.40 C ATOM 875 CG LYS A 56 4.292 -4.940 -0.453 1.00 31.42 C ATOM 876 CD LYS A 56 4.126 -5.799 -1.696 1.00 13.25 C ATOM 877 CE LYS A 56 4.833 -7.137 -1.547 1.00 73.31 C ATOM 878 NZ LYS A 56 4.513 -8.061 -2.671 1.00 3.14 N ATOM 0 H LYS A 56 5.220 -4.593 2.045 1.00 64.55 H new ATOM 0 HA LYS A 56 2.700 -3.395 1.336 1.00 21.42 H new ATOM 0 HB2 LYS A 56 3.622 -6.281 1.072 1.00 54.40 H new ATOM 0 HB3 LYS A 56 2.329 -5.504 0.181 1.00 54.40 H new ATOM 0 HG2 LYS A 56 4.148 -3.891 -0.712 1.00 31.42 H new ATOM 0 HG3 LYS A 56 5.310 -5.038 -0.075 1.00 31.42 H new ATOM 0 HD2 LYS A 56 3.066 -5.966 -1.885 1.00 13.25 H new ATOM 0 HD3 LYS A 56 4.525 -5.270 -2.561 1.00 13.25 H new ATOM 0 HE2 LYS A 56 5.910 -6.976 -1.505 1.00 73.31 H new ATOM 0 HE3 LYS A 56 4.542 -7.598 -0.603 1.00 73.31 H new ATOM 0 HZ1 LYS A 56 5.014 -8.962 -2.533 1.00 3.14 H new ATOM 0 HZ2 LYS A 56 3.488 -8.235 -2.696 1.00 3.14 H new ATOM 0 HZ3 LYS A 56 4.814 -7.632 -3.569 1.00 3.14 H new ATOM 892 N ASP A 57 2.856 -4.975 4.050 1.00 22.01 N ATOM 893 CA ASP A 57 2.118 -5.483 5.201 1.00 54.45 C ATOM 894 C ASP A 57 1.787 -4.356 6.174 1.00 11.32 C ATOM 895 O ASP A 57 0.816 -4.438 6.927 1.00 21.03 O ATOM 896 CB ASP A 57 2.925 -6.569 5.913 1.00 0.42 C ATOM 897 CG ASP A 57 2.569 -7.962 5.435 1.00 64.45 C ATOM 898 OD1 ASP A 57 1.362 -8.252 5.295 1.00 25.42 O ATOM 899 OD2 ASP A 57 3.498 -8.763 5.198 1.00 30.14 O ATOM 0 H ASP A 57 3.830 -4.743 4.243 1.00 22.01 H new ATOM 0 HA ASP A 57 1.184 -5.914 4.841 1.00 54.45 H new ATOM 0 HB2 ASP A 57 3.988 -6.393 5.750 1.00 0.42 H new ATOM 0 HB3 ASP A 57 2.751 -6.501 6.987 1.00 0.42 H new ATOM 904 N ILE A 58 2.601 -3.305 6.154 1.00 34.50 N ATOM 905 CA ILE A 58 2.394 -2.163 7.035 1.00 41.31 C ATOM 906 C ILE A 58 1.640 -1.047 6.320 1.00 15.12 C ATOM 907 O ILE A 58 1.911 -0.745 5.158 1.00 42.40 O ATOM 908 CB ILE A 58 3.731 -1.608 7.560 1.00 23.14 C ATOM 909 CG1 ILE A 58 4.674 -1.302 6.395 1.00 5.33 C ATOM 910 CG2 ILE A 58 4.373 -2.596 8.523 1.00 61.33 C ATOM 911 CD1 ILE A 58 5.949 -0.605 6.817 1.00 64.41 C ATOM 0 H ILE A 58 3.409 -3.221 5.537 1.00 34.50 H new ATOM 0 HA ILE A 58 1.801 -2.518 7.878 1.00 41.31 H new ATOM 0 HB ILE A 58 3.536 -0.680 8.098 1.00 23.14 H new ATOM 0 HG12 ILE A 58 4.929 -2.234 5.890 1.00 5.33 H new ATOM 0 HG13 ILE A 58 4.152 -0.679 5.669 1.00 5.33 H new ATOM 0 HG21 ILE A 58 5.317 -2.190 8.885 1.00 61.33 H new ATOM 0 HG22 ILE A 58 3.705 -2.769 9.366 1.00 61.33 H new ATOM 0 HG23 ILE A 58 4.558 -3.539 8.008 1.00 61.33 H new ATOM 0 HD11 ILE A 58 6.569 -0.419 5.940 1.00 64.41 H new ATOM 0 HD12 ILE A 58 5.704 0.343 7.296 1.00 64.41 H new ATOM 0 HD13 ILE A 58 6.493 -1.236 7.520 1.00 64.41 H new ATOM 923 N PHE A 59 0.691 -0.436 7.023 1.00 24.53 N ATOM 924 CA PHE A 59 -0.103 0.647 6.457 1.00 44.44 C ATOM 925 C PHE A 59 0.103 1.940 7.241 1.00 35.25 C ATOM 926 O PHE A 59 0.577 1.937 8.378 1.00 40.35 O ATOM 927 CB PHE A 59 -1.586 0.272 6.450 1.00 61.35 C ATOM 928 CG PHE A 59 -2.050 -0.311 5.145 1.00 15.24 C ATOM 929 CD1 PHE A 59 -1.623 -1.565 4.740 1.00 1.03 C ATOM 930 CD2 PHE A 59 -2.915 0.395 4.325 1.00 52.41 C ATOM 931 CE1 PHE A 59 -2.048 -2.103 3.540 1.00 13.24 C ATOM 932 CE2 PHE A 59 -3.344 -0.138 3.124 1.00 54.50 C ATOM 933 CZ PHE A 59 -2.911 -1.389 2.732 1.00 51.22 C ATOM 0 H PHE A 59 0.454 -0.673 7.986 1.00 24.53 H new ATOM 0 HA PHE A 59 0.228 0.808 5.431 1.00 44.44 H new ATOM 0 HB2 PHE A 59 -1.775 -0.447 7.248 1.00 61.35 H new ATOM 0 HB3 PHE A 59 -2.178 1.159 6.674 1.00 61.35 H new ATOM 0 HD1 PHE A 59 -0.950 -2.129 5.369 1.00 1.03 H new ATOM 0 HD2 PHE A 59 -3.258 1.373 4.628 1.00 52.41 H new ATOM 0 HE1 PHE A 59 -1.706 -3.081 3.234 1.00 13.24 H new ATOM 0 HE2 PHE A 59 -4.017 0.423 2.493 1.00 54.50 H new ATOM 0 HZ PHE A 59 -3.247 -1.809 1.795 1.00 51.22 H new ATOM 943 N PRO A 60 -0.263 3.072 6.622 1.00 62.01 N ATOM 944 CA PRO A 60 -0.129 4.393 7.243 1.00 24.00 C ATOM 945 C PRO A 60 -1.106 4.593 8.396 1.00 3.24 C ATOM 946 O PRO A 60 -2.301 4.329 8.263 1.00 22.44 O ATOM 947 CB PRO A 60 -0.448 5.357 6.098 1.00 0.40 C ATOM 948 CG PRO A 60 -1.311 4.573 5.172 1.00 74.24 C ATOM 949 CD PRO A 60 -0.836 3.150 5.268 1.00 64.45 C ATOM 0 HA PRO A 60 0.859 4.540 7.679 1.00 24.00 H new ATOM 0 HB2 PRO A 60 -0.963 6.246 6.461 1.00 0.40 H new ATOM 0 HB3 PRO A 60 0.461 5.696 5.601 1.00 0.40 H new ATOM 0 HG2 PRO A 60 -2.361 4.654 5.454 1.00 74.24 H new ATOM 0 HG3 PRO A 60 -1.226 4.945 4.151 1.00 74.24 H new ATOM 0 HD2 PRO A 60 -1.655 2.443 5.137 1.00 64.45 H new ATOM 0 HD3 PRO A 60 -0.093 2.922 4.504 1.00 64.45 H new ATOM 957 N TYR A 61 -0.590 5.062 9.527 1.00 14.24 N ATOM 958 CA TYR A 61 -1.418 5.296 10.705 1.00 3.00 C ATOM 959 C TYR A 61 -2.446 6.391 10.439 1.00 13.15 C ATOM 960 O TYR A 61 -3.411 6.546 11.188 1.00 53.54 O ATOM 961 CB TYR A 61 -0.544 5.681 11.900 1.00 63.31 C ATOM 962 CG TYR A 61 -0.499 7.169 12.164 1.00 74.14 C ATOM 963 CD1 TYR A 61 0.269 8.012 11.370 1.00 12.12 C ATOM 964 CD2 TYR A 61 -1.225 7.732 13.206 1.00 22.34 C ATOM 965 CE1 TYR A 61 0.313 9.372 11.608 1.00 50.44 C ATOM 966 CE2 TYR A 61 -1.188 9.091 13.450 1.00 22.22 C ATOM 967 CZ TYR A 61 -0.417 9.907 12.648 1.00 34.14 C ATOM 968 OH TYR A 61 -0.377 11.261 12.889 1.00 42.20 O ATOM 0 H TYR A 61 0.397 5.287 9.653 1.00 14.24 H new ATOM 0 HA TYR A 61 -1.949 4.372 10.934 1.00 3.00 H new ATOM 0 HB2 TYR A 61 -0.917 5.174 12.790 1.00 63.31 H new ATOM 0 HB3 TYR A 61 0.470 5.320 11.729 1.00 63.31 H new ATOM 0 HD1 TYR A 61 0.841 7.597 10.553 1.00 12.12 H new ATOM 0 HD2 TYR A 61 -1.829 7.096 13.836 1.00 22.34 H new ATOM 0 HE1 TYR A 61 0.916 10.013 10.982 1.00 50.44 H new ATOM 0 HE2 TYR A 61 -1.759 9.512 14.264 1.00 22.22 H new ATOM 0 HH TYR A 61 0.010 11.424 13.775 1.00 42.20 H new ATOM 978 N SER A 62 -2.232 7.148 9.368 1.00 71.32 N ATOM 979 CA SER A 62 -3.138 8.231 9.004 1.00 62.15 C ATOM 980 C SER A 62 -4.487 7.682 8.550 1.00 30.41 C ATOM 981 O SER A 62 -5.484 8.402 8.521 1.00 1.42 O ATOM 982 CB SER A 62 -2.524 9.086 7.894 1.00 45.23 C ATOM 983 OG SER A 62 -2.901 8.609 6.614 1.00 54.11 O ATOM 0 H SER A 62 -1.439 7.031 8.737 1.00 71.32 H new ATOM 0 HA SER A 62 -3.296 8.851 9.886 1.00 62.15 H new ATOM 0 HB2 SER A 62 -2.845 10.121 8.009 1.00 45.23 H new ATOM 0 HB3 SER A 62 -1.438 9.077 7.983 1.00 45.23 H new ATOM 0 HG SER A 62 -2.497 9.174 5.922 1.00 54.11 H new ATOM 989 N GLU A 63 -4.509 6.400 8.197 1.00 42.21 N ATOM 990 CA GLU A 63 -5.735 5.754 7.744 1.00 50.11 C ATOM 991 C GLU A 63 -6.422 5.023 8.894 1.00 65.21 C ATOM 992 O GLU A 63 -7.648 4.967 8.963 1.00 35.32 O ATOM 993 CB GLU A 63 -5.432 4.773 6.610 1.00 62.13 C ATOM 994 CG GLU A 63 -5.301 5.437 5.249 1.00 35.32 C ATOM 995 CD GLU A 63 -6.556 6.185 4.843 1.00 51.05 C ATOM 996 OE1 GLU A 63 -7.511 5.532 4.373 1.00 51.01 O ATOM 997 OE2 GLU A 63 -6.582 7.424 4.995 1.00 54.44 O ATOM 0 H GLU A 63 -3.692 5.789 8.216 1.00 42.21 H new ATOM 0 HA GLU A 63 -6.408 6.528 7.375 1.00 50.11 H new ATOM 0 HB2 GLU A 63 -4.507 4.243 6.837 1.00 62.13 H new ATOM 0 HB3 GLU A 63 -6.225 4.026 6.566 1.00 62.13 H new ATOM 0 HG2 GLU A 63 -4.459 6.129 5.266 1.00 35.32 H new ATOM 0 HG3 GLU A 63 -5.075 4.679 4.499 1.00 35.32 H new ATOM 1004 N ASN A 64 -5.620 4.463 9.794 1.00 3.21 N ATOM 1005 CA ASN A 64 -6.149 3.734 10.941 1.00 51.01 C ATOM 1006 C ASN A 64 -6.550 4.693 12.058 1.00 45.23 C ATOM 1007 O ASN A 64 -7.629 4.573 12.637 1.00 11.14 O ATOM 1008 CB ASN A 64 -5.113 2.735 11.459 1.00 63.42 C ATOM 1009 CG ASN A 64 -4.703 1.727 10.402 1.00 34.54 C ATOM 1010 OD1 ASN A 64 -3.836 1.998 9.572 1.00 52.50 O ATOM 1011 ND2 ASN A 64 -5.328 0.555 10.429 1.00 22.15 N ATOM 0 H ASN A 64 -4.602 4.500 9.751 1.00 3.21 H new ATOM 0 HA ASN A 64 -7.037 3.191 10.616 1.00 51.01 H new ATOM 0 HB2 ASN A 64 -4.231 3.276 11.803 1.00 63.42 H new ATOM 0 HB3 ASN A 64 -5.520 2.208 12.322 1.00 63.42 H new ATOM 0 HD21 ASN A 64 -5.095 -0.163 9.743 1.00 22.15 H new ATOM 0 HD22 ASN A 64 -6.041 0.373 11.136 1.00 22.15 H new ATOM 1018 N LYS A 65 -5.672 5.646 12.354 1.00 14.15 N ATOM 1019 CA LYS A 65 -5.933 6.628 13.400 1.00 14.21 C ATOM 1020 C LYS A 65 -7.244 7.364 13.140 1.00 1.42 C ATOM 1021 O LYS A 65 -7.885 7.855 14.069 1.00 22.20 O ATOM 1022 CB LYS A 65 -4.781 7.631 13.485 1.00 1.44 C ATOM 1023 CG LYS A 65 -4.835 8.712 12.420 1.00 53.42 C ATOM 1024 CD LYS A 65 -5.558 9.952 12.920 1.00 42.24 C ATOM 1025 CE LYS A 65 -5.083 11.203 12.197 1.00 41.40 C ATOM 1026 NZ LYS A 65 -6.002 12.354 12.418 1.00 3.35 N ATOM 0 H LYS A 65 -4.774 5.759 11.884 1.00 14.15 H new ATOM 0 HA LYS A 65 -6.016 6.098 14.349 1.00 14.21 H new ATOM 0 HB2 LYS A 65 -4.792 8.101 14.468 1.00 1.44 H new ATOM 0 HB3 LYS A 65 -3.836 7.094 13.398 1.00 1.44 H new ATOM 0 HG2 LYS A 65 -3.822 8.977 12.118 1.00 53.42 H new ATOM 0 HG3 LYS A 65 -5.341 8.327 11.535 1.00 53.42 H new ATOM 0 HD2 LYS A 65 -6.632 9.832 12.775 1.00 42.24 H new ATOM 0 HD3 LYS A 65 -5.392 10.064 13.991 1.00 42.24 H new ATOM 0 HE2 LYS A 65 -4.083 11.465 12.543 1.00 41.40 H new ATOM 0 HE3 LYS A 65 -5.007 10.999 11.129 1.00 41.40 H new ATOM 0 HZ1 LYS A 65 -5.644 13.187 11.909 1.00 3.35 H new ATOM 0 HZ2 LYS A 65 -6.950 12.114 12.065 1.00 3.35 H new ATOM 0 HZ3 LYS A 65 -6.055 12.566 13.435 1.00 3.35 H new ATOM 1040 N GLU A 66 -7.636 7.436 11.872 1.00 41.00 N ATOM 1041 CA GLU A 66 -8.871 8.112 11.492 1.00 43.02 C ATOM 1042 C GLU A 66 -10.064 7.168 11.602 1.00 32.42 C ATOM 1043 O GLU A 66 -11.214 7.605 11.661 1.00 64.12 O ATOM 1044 CB GLU A 66 -8.764 8.652 10.064 1.00 21.11 C ATOM 1045 CG GLU A 66 -9.709 9.807 9.778 1.00 5.20 C ATOM 1046 CD GLU A 66 -10.013 9.960 8.300 1.00 23.24 C ATOM 1047 OE1 GLU A 66 -10.308 8.938 7.646 1.00 1.11 O ATOM 1048 OE2 GLU A 66 -9.956 11.102 7.799 1.00 42.15 O ATOM 0 H GLU A 66 -7.117 7.035 11.091 1.00 41.00 H new ATOM 0 HA GLU A 66 -9.025 8.945 12.178 1.00 43.02 H new ATOM 0 HB2 GLU A 66 -7.740 8.978 9.884 1.00 21.11 H new ATOM 0 HB3 GLU A 66 -8.969 7.843 9.362 1.00 21.11 H new ATOM 0 HG2 GLU A 66 -10.641 9.653 10.323 1.00 5.20 H new ATOM 0 HG3 GLU A 66 -9.270 10.732 10.152 1.00 5.20 H new ATOM 1055 N LYS A 67 -9.783 5.869 11.630 1.00 51.35 N ATOM 1056 CA LYS A 67 -10.831 4.861 11.733 1.00 13.05 C ATOM 1057 C LYS A 67 -11.365 4.776 13.160 1.00 54.43 C ATOM 1058 O LYS A 67 -12.552 4.996 13.402 1.00 34.43 O ATOM 1059 CB LYS A 67 -10.299 3.495 11.295 1.00 23.12 C ATOM 1060 CG LYS A 67 -10.489 3.214 9.815 1.00 54.23 C ATOM 1061 CD LYS A 67 -11.956 3.018 9.469 1.00 61.03 C ATOM 1062 CE LYS A 67 -12.521 1.767 10.124 1.00 64.11 C ATOM 1063 NZ LYS A 67 -13.583 1.137 9.293 1.00 73.25 N ATOM 0 H LYS A 67 -8.837 5.490 11.583 1.00 51.35 H new ATOM 0 HA LYS A 67 -11.648 5.154 11.074 1.00 13.05 H new ATOM 0 HB2 LYS A 67 -9.237 3.434 11.534 1.00 23.12 H new ATOM 0 HB3 LYS A 67 -10.801 2.717 11.871 1.00 23.12 H new ATOM 0 HG2 LYS A 67 -10.084 4.041 9.232 1.00 54.23 H new ATOM 0 HG3 LYS A 67 -9.926 2.323 9.538 1.00 54.23 H new ATOM 0 HD2 LYS A 67 -12.527 3.889 9.792 1.00 61.03 H new ATOM 0 HD3 LYS A 67 -12.069 2.946 8.387 1.00 61.03 H new ATOM 0 HE2 LYS A 67 -11.717 1.050 10.291 1.00 64.11 H new ATOM 0 HE3 LYS A 67 -12.929 2.022 11.102 1.00 64.11 H new ATOM 0 HZ1 LYS A 67 -13.942 0.288 9.774 1.00 73.25 H new ATOM 0 HZ2 LYS A 67 -14.362 1.812 9.155 1.00 73.25 H new ATOM 0 HZ3 LYS A 67 -13.188 0.870 8.369 1.00 73.25 H new ATOM 1077 N TYR A 68 -10.482 4.459 14.099 1.00 21.14 N ATOM 1078 CA TYR A 68 -10.865 4.345 15.502 1.00 72.24 C ATOM 1079 C TYR A 68 -9.919 5.145 16.392 1.00 61.42 C ATOM 1080 O TYR A 68 -10.279 5.546 17.498 1.00 71.14 O ATOM 1081 CB TYR A 68 -10.871 2.877 15.933 1.00 45.23 C ATOM 1082 CG TYR A 68 -10.977 1.907 14.778 1.00 44.23 C ATOM 1083 CD1 TYR A 68 -12.215 1.531 14.272 1.00 13.34 C ATOM 1084 CD2 TYR A 68 -9.839 1.366 14.192 1.00 21.24 C ATOM 1085 CE1 TYR A 68 -12.317 0.645 13.218 1.00 74.22 C ATOM 1086 CE2 TYR A 68 -9.931 0.480 13.137 1.00 73.14 C ATOM 1087 CZ TYR A 68 -11.173 0.122 12.653 1.00 44.40 C ATOM 1088 OH TYR A 68 -11.269 -0.761 11.602 1.00 0.02 O ATOM 0 H TYR A 68 -9.496 4.276 13.915 1.00 21.14 H new ATOM 0 HA TYR A 68 -11.870 4.753 15.612 1.00 72.24 H new ATOM 0 HB2 TYR A 68 -9.958 2.667 16.490 1.00 45.23 H new ATOM 0 HB3 TYR A 68 -11.706 2.710 16.614 1.00 45.23 H new ATOM 0 HD1 TYR A 68 -13.114 1.939 14.711 1.00 13.34 H new ATOM 0 HD2 TYR A 68 -8.865 1.643 14.568 1.00 21.24 H new ATOM 0 HE1 TYR A 68 -13.288 0.363 12.838 1.00 74.22 H new ATOM 0 HE2 TYR A 68 -9.036 0.069 12.693 1.00 73.14 H new ATOM 0 HH TYR A 68 -10.371 -1.033 11.321 1.00 0.02 H new ATOM 1098 N GLY A 69 -8.705 5.373 15.900 1.00 60.13 N ATOM 1099 CA GLY A 69 -7.725 6.124 16.662 1.00 63.01 C ATOM 1100 C GLY A 69 -7.124 5.313 17.793 1.00 60.43 C ATOM 1101 O GLY A 69 -6.090 5.681 18.350 1.00 22.22 O ATOM 0 H GLY A 69 -8.383 5.051 14.987 1.00 60.13 H new ATOM 0 HA2 GLY A 69 -6.929 6.458 15.996 1.00 63.01 H new ATOM 0 HA3 GLY A 69 -8.195 7.019 17.070 1.00 63.01 H new ATOM 1105 N LYS A 70 -7.774 4.205 18.134 1.00 1.33 N ATOM 1106 CA LYS A 70 -7.299 3.339 19.206 1.00 20.35 C ATOM 1107 C LYS A 70 -7.702 1.889 18.954 1.00 51.54 C ATOM 1108 O LYS A 70 -8.608 1.599 18.172 1.00 11.32 O ATOM 1109 CB LYS A 70 -7.856 3.807 20.553 1.00 70.41 C ATOM 1110 CG LYS A 70 -9.247 4.409 20.459 1.00 32.14 C ATOM 1111 CD LYS A 70 -9.907 4.503 21.825 1.00 40.31 C ATOM 1112 CE LYS A 70 -9.378 5.688 22.619 1.00 53.13 C ATOM 1113 NZ LYS A 70 -10.024 6.965 22.206 1.00 60.12 N ATOM 0 H LYS A 70 -8.631 3.886 17.683 1.00 1.33 H new ATOM 0 HA LYS A 70 -6.211 3.397 19.230 1.00 20.35 H new ATOM 0 HB2 LYS A 70 -7.881 2.961 21.240 1.00 70.41 H new ATOM 0 HB3 LYS A 70 -7.178 4.545 20.981 1.00 70.41 H new ATOM 0 HG2 LYS A 70 -9.185 5.402 20.014 1.00 32.14 H new ATOM 0 HG3 LYS A 70 -9.864 3.801 19.797 1.00 32.14 H new ATOM 0 HD2 LYS A 70 -10.986 4.598 21.703 1.00 40.31 H new ATOM 0 HD3 LYS A 70 -9.729 3.582 22.381 1.00 40.31 H new ATOM 0 HE2 LYS A 70 -9.552 5.520 23.682 1.00 53.13 H new ATOM 0 HE3 LYS A 70 -8.300 5.765 22.481 1.00 53.13 H new ATOM 0 HZ1 LYS A 70 -9.637 7.748 22.770 1.00 60.12 H new ATOM 0 HZ2 LYS A 70 -9.837 7.139 21.198 1.00 60.12 H new ATOM 0 HZ3 LYS A 70 -11.050 6.901 22.361 1.00 60.12 H new ATOM 1127 N PRO A 71 -7.016 0.957 19.630 1.00 23.33 N ATOM 1128 CA PRO A 71 -7.286 -0.478 19.497 1.00 54.33 C ATOM 1129 C PRO A 71 -8.624 -0.875 20.112 1.00 22.11 C ATOM 1130 O PRO A 71 -9.053 -0.301 21.112 1.00 44.43 O ATOM 1131 CB PRO A 71 -6.131 -1.129 20.261 1.00 33.41 C ATOM 1132 CG PRO A 71 -5.699 -0.098 21.246 1.00 71.24 C ATOM 1133 CD PRO A 71 -5.923 1.231 20.579 1.00 62.35 C ATOM 0 HA PRO A 71 -7.351 -0.786 18.453 1.00 54.33 H new ATOM 0 HB2 PRO A 71 -6.452 -2.043 20.760 1.00 33.41 H new ATOM 0 HB3 PRO A 71 -5.316 -1.401 19.590 1.00 33.41 H new ATOM 0 HG2 PRO A 71 -6.275 -0.174 22.168 1.00 71.24 H new ATOM 0 HG3 PRO A 71 -4.650 -0.229 21.513 1.00 71.24 H new ATOM 0 HD2 PRO A 71 -6.200 2.001 21.300 1.00 62.35 H new ATOM 0 HD3 PRO A 71 -5.026 1.581 20.068 1.00 62.35 H new ATOM 1141 N ASN A 72 -9.278 -1.862 19.508 1.00 0.11 N ATOM 1142 CA ASN A 72 -10.567 -2.336 19.997 1.00 15.14 C ATOM 1143 C ASN A 72 -10.397 -3.581 20.863 1.00 44.30 C ATOM 1144 O ASN A 72 -10.795 -3.600 22.028 1.00 61.22 O ATOM 1145 CB ASN A 72 -11.501 -2.641 18.824 1.00 22.11 C ATOM 1146 CG ASN A 72 -12.621 -1.627 18.697 1.00 0.24 C ATOM 1147 OD1 ASN A 72 -12.500 -0.491 19.158 1.00 72.42 O ATOM 1148 ND2 ASN A 72 -13.719 -2.033 18.071 1.00 60.31 N ATOM 0 H ASN A 72 -8.936 -2.349 18.679 1.00 0.11 H new ATOM 0 HA ASN A 72 -11.007 -1.548 20.608 1.00 15.14 H new ATOM 0 HB2 ASN A 72 -10.924 -2.659 17.899 1.00 22.11 H new ATOM 0 HB3 ASN A 72 -11.928 -3.636 18.952 1.00 22.11 H new ATOM 0 HD21 ASN A 72 -14.506 -1.395 17.956 1.00 60.31 H new ATOM 0 HD22 ASN A 72 -13.775 -2.983 17.705 1.00 60.31 H new ATOM 1155 N LYS A 73 -9.801 -4.619 20.286 1.00 51.33 N ATOM 1156 CA LYS A 73 -9.575 -5.868 21.003 1.00 2.21 C ATOM 1157 C LYS A 73 -8.086 -6.193 21.072 1.00 32.52 C ATOM 1158 O LYS A 73 -7.696 -7.361 21.065 1.00 62.01 O ATOM 1159 CB LYS A 73 -10.327 -7.014 20.323 1.00 14.14 C ATOM 1160 CG LYS A 73 -10.629 -8.178 21.251 1.00 70.10 C ATOM 1161 CD LYS A 73 -12.125 -8.392 21.409 1.00 11.02 C ATOM 1162 CE LYS A 73 -12.458 -9.028 22.750 1.00 74.31 C ATOM 1163 NZ LYS A 73 -12.842 -10.460 22.604 1.00 5.14 N ATOM 0 H LYS A 73 -9.466 -4.620 19.323 1.00 51.33 H new ATOM 0 HA LYS A 73 -9.951 -5.748 22.019 1.00 2.21 H new ATOM 0 HB2 LYS A 73 -11.263 -6.632 19.916 1.00 14.14 H new ATOM 0 HB3 LYS A 73 -9.737 -7.375 19.481 1.00 14.14 H new ATOM 0 HG2 LYS A 73 -10.170 -9.086 20.859 1.00 70.10 H new ATOM 0 HG3 LYS A 73 -10.182 -7.991 22.228 1.00 70.10 H new ATOM 0 HD2 LYS A 73 -12.642 -7.436 21.320 1.00 11.02 H new ATOM 0 HD3 LYS A 73 -12.490 -9.028 20.603 1.00 11.02 H new ATOM 0 HE2 LYS A 73 -11.597 -8.949 23.414 1.00 74.31 H new ATOM 0 HE3 LYS A 73 -13.274 -8.479 23.220 1.00 74.31 H new ATOM 0 HZ1 LYS A 73 -13.061 -10.858 23.540 1.00 5.14 H new ATOM 0 HZ2 LYS A 73 -13.679 -10.534 21.991 1.00 5.14 H new ATOM 0 HZ3 LYS A 73 -12.054 -10.989 22.179 1.00 5.14 H new ATOM 1177 N ARG A 74 -7.260 -5.154 21.141 1.00 73.53 N ATOM 1178 CA ARG A 74 -5.815 -5.331 21.212 1.00 41.15 C ATOM 1179 C ARG A 74 -5.265 -4.791 22.529 1.00 72.32 C ATOM 1180 O ARG A 74 -5.386 -3.602 22.824 1.00 34.22 O ATOM 1181 CB ARG A 74 -5.135 -4.626 20.036 1.00 14.11 C ATOM 1182 CG ARG A 74 -5.345 -5.325 18.703 1.00 62.20 C ATOM 1183 CD ARG A 74 -4.521 -6.600 18.607 1.00 44.51 C ATOM 1184 NE ARG A 74 -3.203 -6.357 18.026 1.00 41.41 N ATOM 1185 CZ ARG A 74 -2.266 -7.291 17.913 1.00 60.44 C ATOM 1186 NH1 ARG A 74 -2.501 -8.525 18.338 1.00 61.13 N ATOM 1187 NH2 ARG A 74 -1.091 -6.993 17.372 1.00 32.15 N ATOM 0 H ARG A 74 -7.567 -4.181 21.149 1.00 73.53 H new ATOM 0 HA ARG A 74 -5.602 -6.399 21.160 1.00 41.15 H new ATOM 0 HB2 ARG A 74 -5.514 -3.607 19.966 1.00 14.11 H new ATOM 0 HB3 ARG A 74 -4.066 -4.555 20.235 1.00 14.11 H new ATOM 0 HG2 ARG A 74 -6.401 -5.563 18.578 1.00 62.20 H new ATOM 0 HG3 ARG A 74 -5.072 -4.652 17.891 1.00 62.20 H new ATOM 0 HD2 ARG A 74 -4.405 -7.032 19.601 1.00 44.51 H new ATOM 0 HD3 ARG A 74 -5.055 -7.332 18.001 1.00 44.51 H new ATOM 0 HE ARG A 74 -2.991 -5.418 17.689 1.00 41.41 H new ATOM 0 HH11 ARG A 74 -3.403 -8.758 18.753 1.00 61.13 H new ATOM 0 HH12 ARG A 74 -1.780 -9.241 18.250 1.00 61.13 H new ATOM 0 HH21 ARG A 74 -0.907 -6.045 17.042 1.00 32.15 H new ATOM 0 HH22 ARG A 74 -0.372 -7.712 17.286 1.00 32.15 H new ATOM 1201 N LYS A 75 -4.661 -5.674 23.317 1.00 10.44 N ATOM 1202 CA LYS A 75 -4.092 -5.287 24.603 1.00 23.50 C ATOM 1203 C LYS A 75 -3.095 -4.145 24.436 1.00 52.24 C ATOM 1204 O LYS A 75 -2.441 -4.026 23.401 1.00 42.42 O ATOM 1205 CB LYS A 75 -3.404 -6.486 25.260 1.00 64.21 C ATOM 1206 CG LYS A 75 -4.364 -7.428 25.965 1.00 54.01 C ATOM 1207 CD LYS A 75 -3.712 -8.767 26.266 1.00 14.14 C ATOM 1208 CE LYS A 75 -4.466 -9.523 27.350 1.00 55.23 C ATOM 1209 NZ LYS A 75 -4.232 -8.939 28.699 1.00 10.42 N ATOM 0 H LYS A 75 -4.553 -6.662 23.088 1.00 10.44 H new ATOM 0 HA LYS A 75 -4.905 -4.945 25.244 1.00 23.50 H new ATOM 0 HB2 LYS A 75 -2.856 -7.042 24.499 1.00 64.21 H new ATOM 0 HB3 LYS A 75 -2.670 -6.123 25.980 1.00 64.21 H new ATOM 0 HG2 LYS A 75 -4.706 -6.972 26.894 1.00 54.01 H new ATOM 0 HG3 LYS A 75 -5.245 -7.583 25.343 1.00 54.01 H new ATOM 0 HD2 LYS A 75 -3.678 -9.369 25.358 1.00 14.14 H new ATOM 0 HD3 LYS A 75 -2.681 -8.608 26.582 1.00 14.14 H new ATOM 0 HE2 LYS A 75 -5.533 -9.508 27.128 1.00 55.23 H new ATOM 0 HE3 LYS A 75 -4.155 -10.568 27.348 1.00 55.23 H new ATOM 0 HZ1 LYS A 75 -4.559 -9.606 29.427 1.00 10.42 H new ATOM 0 HZ2 LYS A 75 -3.216 -8.757 28.827 1.00 10.42 H new ATOM 0 HZ3 LYS A 75 -4.757 -8.046 28.786 1.00 10.42 H new ATOM 1223 N GLY A 76 -2.984 -3.307 25.462 1.00 14.11 N ATOM 1224 CA GLY A 76 -2.064 -2.186 25.408 1.00 14.35 C ATOM 1225 C GLY A 76 -2.767 -0.872 25.126 1.00 22.44 C ATOM 1226 O GLY A 76 -2.125 0.173 25.023 1.00 13.43 O ATOM 0 H GLY A 76 -3.515 -3.384 26.330 1.00 14.11 H new ATOM 0 HA2 GLY A 76 -1.529 -2.113 26.355 1.00 14.35 H new ATOM 0 HA3 GLY A 76 -1.318 -2.369 24.634 1.00 14.35 H new ATOM 1230 N PHE A 77 -4.089 -0.925 24.999 1.00 25.53 N ATOM 1231 CA PHE A 77 -4.879 0.269 24.724 1.00 23.15 C ATOM 1232 C PHE A 77 -4.598 1.356 25.758 1.00 55.12 C ATOM 1233 O PHE A 77 -4.478 1.078 26.950 1.00 64.30 O ATOM 1234 CB PHE A 77 -6.370 -0.071 24.717 1.00 35.21 C ATOM 1235 CG PHE A 77 -6.886 -0.535 26.049 1.00 31.14 C ATOM 1236 CD1 PHE A 77 -7.345 0.378 26.986 1.00 62.35 C ATOM 1237 CD2 PHE A 77 -6.913 -1.884 26.365 1.00 3.23 C ATOM 1238 CE1 PHE A 77 -7.819 -0.047 28.212 1.00 1.34 C ATOM 1239 CE2 PHE A 77 -7.386 -2.314 27.591 1.00 72.24 C ATOM 1240 CZ PHE A 77 -7.841 -1.394 28.515 1.00 61.21 C ATOM 0 H PHE A 77 -4.635 -1.782 25.082 1.00 25.53 H new ATOM 0 HA PHE A 77 -4.595 0.645 23.741 1.00 23.15 H new ATOM 0 HB2 PHE A 77 -6.933 0.808 24.405 1.00 35.21 H new ATOM 0 HB3 PHE A 77 -6.554 -0.848 23.975 1.00 35.21 H new ATOM 0 HD1 PHE A 77 -7.332 1.433 26.755 1.00 62.35 H new ATOM 0 HD2 PHE A 77 -6.560 -2.608 25.645 1.00 3.23 H new ATOM 0 HE1 PHE A 77 -8.172 0.675 28.934 1.00 1.34 H new ATOM 0 HE2 PHE A 77 -7.400 -3.368 27.826 1.00 72.24 H new ATOM 0 HZ PHE A 77 -8.213 -1.727 29.472 1.00 61.21 H new ATOM 1250 N ASN A 78 -4.496 2.596 25.290 1.00 1.14 N ATOM 1251 CA ASN A 78 -4.229 3.726 26.173 1.00 23.10 C ATOM 1252 C ASN A 78 -2.890 3.556 26.884 1.00 23.12 C ATOM 1253 O ASN A 78 -2.659 4.142 27.941 1.00 43.40 O ATOM 1254 CB ASN A 78 -5.351 3.872 27.203 1.00 61.02 C ATOM 1255 CG ASN A 78 -6.445 4.813 26.736 1.00 3.23 C ATOM 1256 OD1 ASN A 78 -7.611 4.430 26.642 1.00 23.53 O ATOM 1257 ND2 ASN A 78 -6.072 6.053 26.441 1.00 10.12 N ATOM 0 H ASN A 78 -4.594 2.844 24.305 1.00 1.14 H new ATOM 0 HA ASN A 78 -4.185 4.629 25.564 1.00 23.10 H new ATOM 0 HB2 ASN A 78 -5.782 2.892 27.409 1.00 61.02 H new ATOM 0 HB3 ASN A 78 -4.934 4.240 28.141 1.00 61.02 H new ATOM 0 HD21 ASN A 78 -6.764 6.731 26.122 1.00 10.12 H new ATOM 0 HD22 ASN A 78 -5.094 6.327 26.534 1.00 10.12 H new ATOM 1264 N GLU A 79 -2.011 2.750 26.296 1.00 75.31 N ATOM 1265 CA GLU A 79 -0.696 2.503 26.874 1.00 63.21 C ATOM 1266 C GLU A 79 0.410 2.903 25.901 1.00 13.42 C ATOM 1267 O GLU A 79 1.242 2.082 25.518 1.00 51.40 O ATOM 1268 CB GLU A 79 -0.548 1.027 27.251 1.00 55.13 C ATOM 1269 CG GLU A 79 0.482 0.777 28.339 1.00 62.43 C ATOM 1270 CD GLU A 79 0.232 1.608 29.582 1.00 50.11 C ATOM 1271 OE1 GLU A 79 -0.757 1.330 30.292 1.00 73.13 O ATOM 1272 OE2 GLU A 79 1.024 2.537 29.845 1.00 65.52 O ATOM 0 H GLU A 79 -2.186 2.257 25.420 1.00 75.31 H new ATOM 0 HA GLU A 79 -0.604 3.112 27.774 1.00 63.21 H new ATOM 0 HB2 GLU A 79 -1.514 0.647 27.583 1.00 55.13 H new ATOM 0 HB3 GLU A 79 -0.270 0.460 26.362 1.00 55.13 H new ATOM 0 HG2 GLU A 79 0.474 -0.280 28.606 1.00 62.43 H new ATOM 0 HG3 GLU A 79 1.476 1.000 27.951 1.00 62.43 H new ATOM 1279 N GLY A 80 0.410 4.173 25.505 1.00 24.23 N ATOM 1280 CA GLY A 80 1.417 4.661 24.580 1.00 34.25 C ATOM 1281 C GLY A 80 0.823 5.098 23.256 1.00 64.43 C ATOM 1282 O GLY A 80 1.538 5.577 22.375 1.00 42.23 O ATOM 0 H GLY A 80 -0.269 4.872 25.808 1.00 24.23 H new ATOM 0 HA2 GLY A 80 1.946 5.500 25.032 1.00 34.25 H new ATOM 0 HA3 GLY A 80 2.154 3.878 24.403 1.00 34.25 H new ATOM 1286 N LEU A 81 -0.487 4.931 23.112 1.00 23.24 N ATOM 1287 CA LEU A 81 -1.176 5.310 21.884 1.00 35.02 C ATOM 1288 C LEU A 81 -1.053 6.809 21.631 1.00 15.22 C ATOM 1289 O LEU A 81 -1.009 7.253 20.484 1.00 40.20 O ATOM 1290 CB LEU A 81 -2.652 4.914 21.961 1.00 21.43 C ATOM 1291 CG LEU A 81 -3.535 5.387 20.807 1.00 53.05 C ATOM 1292 CD1 LEU A 81 -3.740 4.268 19.798 1.00 74.33 C ATOM 1293 CD2 LEU A 81 -4.874 5.888 21.330 1.00 63.14 C ATOM 0 H LEU A 81 -1.093 4.536 23.831 1.00 23.24 H new ATOM 0 HA LEU A 81 -0.707 4.780 21.055 1.00 35.02 H new ATOM 0 HB2 LEU A 81 -2.713 3.827 22.017 1.00 21.43 H new ATOM 0 HB3 LEU A 81 -3.064 5.305 22.891 1.00 21.43 H new ATOM 0 HG LEU A 81 -3.031 6.213 20.305 1.00 53.05 H new ATOM 0 HD11 LEU A 81 -4.371 4.624 18.984 1.00 74.33 H new ATOM 0 HD12 LEU A 81 -2.775 3.956 19.399 1.00 74.33 H new ATOM 0 HD13 LEU A 81 -4.221 3.421 20.287 1.00 74.33 H new ATOM 0 HD21 LEU A 81 -5.490 6.221 20.494 1.00 63.14 H new ATOM 0 HD22 LEU A 81 -5.383 5.082 21.857 1.00 63.14 H new ATOM 0 HD23 LEU A 81 -4.709 6.721 22.013 1.00 63.14 H new ATOM 1305 N TRP A 82 -0.997 7.583 22.709 1.00 31.21 N ATOM 1306 CA TRP A 82 -0.877 9.033 22.604 1.00 63.53 C ATOM 1307 C TRP A 82 0.567 9.441 22.335 1.00 65.32 C ATOM 1308 O TRP A 82 0.838 10.577 21.948 1.00 1.00 O ATOM 1309 CB TRP A 82 -1.379 9.701 23.885 1.00 65.03 C ATOM 1310 CG TRP A 82 -1.090 11.171 23.940 1.00 72.21 C ATOM 1311 CD1 TRP A 82 -1.885 12.180 23.476 1.00 61.22 C ATOM 1312 CD2 TRP A 82 0.075 11.795 24.489 1.00 43.43 C ATOM 1313 NE1 TRP A 82 -1.283 13.394 23.703 1.00 55.20 N ATOM 1314 CE2 TRP A 82 -0.080 13.186 24.324 1.00 74.31 C ATOM 1315 CE3 TRP A 82 1.234 11.316 25.105 1.00 62.00 C ATOM 1316 CZ2 TRP A 82 0.880 14.098 24.752 1.00 22.13 C ATOM 1317 CZ3 TRP A 82 2.187 12.223 25.529 1.00 32.33 C ATOM 1318 CH2 TRP A 82 2.005 13.601 25.352 1.00 20.33 C ATOM 0 H TRP A 82 -1.033 7.231 23.666 1.00 31.21 H new ATOM 0 HA TRP A 82 -1.491 9.364 21.766 1.00 63.53 H new ATOM 0 HB2 TRP A 82 -2.455 9.546 23.970 1.00 65.03 H new ATOM 0 HB3 TRP A 82 -0.918 9.215 24.745 1.00 65.03 H new ATOM 0 HD1 TRP A 82 -2.845 12.044 23.001 1.00 61.22 H new ATOM 0 HE1 TRP A 82 -1.670 14.303 23.450 1.00 55.20 H new ATOM 0 HE3 TRP A 82 1.383 10.256 25.247 1.00 62.00 H new ATOM 0 HZ2 TRP A 82 0.742 15.160 24.615 1.00 22.13 H new ATOM 0 HZ3 TRP A 82 3.087 11.863 26.005 1.00 32.33 H new ATOM 0 HH2 TRP A 82 2.767 14.284 25.696 1.00 20.33 H new ATOM 1329 N GLU A 83 1.490 8.507 22.542 1.00 65.32 N ATOM 1330 CA GLU A 83 2.907 8.772 22.322 1.00 63.24 C ATOM 1331 C GLU A 83 3.262 8.641 20.843 1.00 12.30 C ATOM 1332 O GLU A 83 4.267 9.185 20.385 1.00 41.12 O ATOM 1333 CB GLU A 83 3.763 7.811 23.149 1.00 24.22 C ATOM 1334 CG GLU A 83 3.850 8.185 24.619 1.00 4.32 C ATOM 1335 CD GLU A 83 4.262 7.018 25.495 1.00 21.02 C ATOM 1336 OE1 GLU A 83 4.572 5.942 24.943 1.00 24.23 O ATOM 1337 OE2 GLU A 83 4.274 7.182 26.733 1.00 21.53 O ATOM 0 H GLU A 83 1.282 7.561 22.861 1.00 65.32 H new ATOM 0 HA GLU A 83 3.112 9.795 22.639 1.00 63.24 H new ATOM 0 HB2 GLU A 83 3.352 6.805 23.062 1.00 24.22 H new ATOM 0 HB3 GLU A 83 4.769 7.781 22.730 1.00 24.22 H new ATOM 0 HG2 GLU A 83 4.567 8.997 24.742 1.00 4.32 H new ATOM 0 HG3 GLU A 83 2.883 8.561 24.952 1.00 4.32 H new ATOM 1344 N ILE A 84 2.430 7.917 20.103 1.00 74.40 N ATOM 1345 CA ILE A 84 2.654 7.715 18.677 1.00 44.00 C ATOM 1346 C ILE A 84 2.596 9.037 17.919 1.00 71.10 C ATOM 1347 O ILE A 84 3.167 9.169 16.837 1.00 42.35 O ATOM 1348 CB ILE A 84 1.620 6.745 18.076 1.00 43.04 C ATOM 1349 CG1 ILE A 84 2.107 6.219 16.724 1.00 45.52 C ATOM 1350 CG2 ILE A 84 0.272 7.434 17.928 1.00 72.44 C ATOM 1351 CD1 ILE A 84 1.127 5.286 16.049 1.00 14.22 C ATOM 0 H ILE A 84 1.594 7.460 20.467 1.00 74.40 H new ATOM 0 HA ILE A 84 3.649 7.282 18.572 1.00 44.00 H new ATOM 0 HB ILE A 84 1.501 5.898 18.752 1.00 43.04 H new ATOM 0 HG12 ILE A 84 2.304 7.064 16.065 1.00 45.52 H new ATOM 0 HG13 ILE A 84 3.054 5.697 16.866 1.00 45.52 H new ATOM 0 HG21 ILE A 84 -0.449 6.736 17.502 1.00 72.44 H new ATOM 0 HG22 ILE A 84 -0.077 7.764 18.906 1.00 72.44 H new ATOM 0 HG23 ILE A 84 0.375 8.296 17.269 1.00 72.44 H new ATOM 0 HD11 ILE A 84 1.539 4.953 15.096 1.00 14.22 H new ATOM 0 HD12 ILE A 84 0.948 4.422 16.689 1.00 14.22 H new ATOM 0 HD13 ILE A 84 0.187 5.810 15.875 1.00 14.22 H new ATOM 1363 N ASP A 85 1.903 10.013 18.495 1.00 21.25 N ATOM 1364 CA ASP A 85 1.772 11.326 17.876 1.00 40.40 C ATOM 1365 C ASP A 85 2.459 12.396 18.720 1.00 72.04 C ATOM 1366 O ASP A 85 2.361 13.587 18.428 1.00 4.23 O ATOM 1367 CB ASP A 85 0.296 11.679 17.686 1.00 40.23 C ATOM 1368 CG ASP A 85 0.075 12.644 16.537 1.00 34.42 C ATOM 1369 OD1 ASP A 85 0.721 12.469 15.483 1.00 52.35 O ATOM 1370 OD2 ASP A 85 -0.745 13.572 16.692 1.00 14.35 O ATOM 0 H ASP A 85 1.423 9.919 19.390 1.00 21.25 H new ATOM 0 HA ASP A 85 2.258 11.291 16.901 1.00 40.40 H new ATOM 0 HB2 ASP A 85 -0.272 10.767 17.505 1.00 40.23 H new ATOM 0 HB3 ASP A 85 -0.091 12.118 18.605 1.00 40.23 H new ATOM 1375 N ASN A 86 3.152 11.961 19.767 1.00 43.52 N ATOM 1376 CA ASN A 86 3.854 12.882 20.654 1.00 0.00 C ATOM 1377 C ASN A 86 5.277 12.401 20.922 1.00 71.00 C ATOM 1378 O ASN A 86 6.245 13.016 20.477 1.00 11.45 O ATOM 1379 CB ASN A 86 3.096 13.028 21.975 1.00 72.11 C ATOM 1380 CG ASN A 86 1.842 13.869 21.832 1.00 70.10 C ATOM 1381 OD1 ASN A 86 1.836 15.055 22.162 1.00 34.24 O ATOM 1382 ND2 ASN A 86 0.772 13.257 21.338 1.00 62.33 N ATOM 0 H ASN A 86 3.243 10.978 20.022 1.00 43.52 H new ATOM 0 HA ASN A 86 3.904 13.853 20.162 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.827 12.040 22.347 1.00 72.11 H new ATOM 0 HB3 ASN A 86 3.751 13.481 22.719 1.00 72.11 H new ATOM 0 HD21 ASN A 86 -0.100 13.772 21.219 1.00 62.33 H new ATOM 0 HD22 ASN A 86 0.823 12.272 21.078 1.00 62.33 H new ATOM 1389 N ASN A 87 5.395 11.296 21.651 1.00 14.25 N ATOM 1390 CA ASN A 87 6.699 10.732 21.979 1.00 60.01 C ATOM 1391 C ASN A 87 6.890 9.377 21.305 1.00 61.31 C ATOM 1392 O ASN A 87 6.862 8.327 21.947 1.00 30.41 O ATOM 1393 CB ASN A 87 6.849 10.586 23.495 1.00 52.05 C ATOM 1394 CG ASN A 87 8.263 10.223 23.903 1.00 23.24 C ATOM 1395 OD1 ASN A 87 9.138 10.039 23.057 1.00 42.31 O ATOM 1396 ND2 ASN A 87 8.493 10.117 25.207 1.00 65.01 N ATOM 0 H ASN A 87 4.603 10.773 22.026 1.00 14.25 H new ATOM 0 HA ASN A 87 7.465 11.413 21.609 1.00 60.01 H new ATOM 0 HB2 ASN A 87 6.563 11.521 23.977 1.00 52.05 H new ATOM 0 HB3 ASN A 87 6.162 9.819 23.853 1.00 52.05 H new ATOM 0 HD21 ASN A 87 9.425 9.874 25.542 1.00 65.01 H new ATOM 0 HD22 ASN A 87 7.737 10.278 25.873 1.00 65.01 H new ATOM 1403 N PRO A 88 7.090 9.398 19.979 1.00 50.33 N ATOM 1404 CA PRO A 88 7.291 8.180 19.188 1.00 11.15 C ATOM 1405 C PRO A 88 8.632 7.516 19.479 1.00 65.35 C ATOM 1406 O PRO A 88 8.877 6.381 19.069 1.00 73.34 O ATOM 1407 CB PRO A 88 7.245 8.683 17.743 1.00 34.05 C ATOM 1408 CG PRO A 88 7.650 10.114 17.827 1.00 24.12 C ATOM 1409 CD PRO A 88 7.136 10.614 19.149 1.00 73.23 C ATOM 0 HA PRO A 88 6.543 7.420 19.412 1.00 11.15 H new ATOM 0 HB2 PRO A 88 7.923 8.116 17.105 1.00 34.05 H new ATOM 0 HB3 PRO A 88 6.246 8.578 17.319 1.00 34.05 H new ATOM 0 HG2 PRO A 88 8.733 10.217 17.766 1.00 24.12 H new ATOM 0 HG3 PRO A 88 7.228 10.688 17.002 1.00 24.12 H new ATOM 0 HD2 PRO A 88 7.796 11.368 19.577 1.00 73.23 H new ATOM 0 HD3 PRO A 88 6.151 11.071 19.051 1.00 73.23 H new ATOM 1417 N LYS A 89 9.500 8.230 20.188 1.00 32.53 N ATOM 1418 CA LYS A 89 10.817 7.709 20.535 1.00 12.24 C ATOM 1419 C LYS A 89 10.939 7.499 22.041 1.00 3.33 C ATOM 1420 O LYS A 89 11.956 7.842 22.645 1.00 31.23 O ATOM 1421 CB LYS A 89 11.909 8.666 20.053 1.00 64.24 C ATOM 1422 CG LYS A 89 11.863 8.938 18.559 1.00 71.00 C ATOM 1423 CD LYS A 89 13.006 9.838 18.120 1.00 30.14 C ATOM 1424 CE LYS A 89 14.306 9.060 17.980 1.00 14.25 C ATOM 1425 NZ LYS A 89 15.498 9.939 18.139 1.00 75.25 N ATOM 0 H LYS A 89 9.315 9.172 20.534 1.00 32.53 H new ATOM 0 HA LYS A 89 10.942 6.746 20.040 1.00 12.24 H new ATOM 0 HB2 LYS A 89 11.815 9.611 20.589 1.00 64.24 H new ATOM 0 HB3 LYS A 89 12.884 8.250 20.308 1.00 64.24 H new ATOM 0 HG2 LYS A 89 11.912 7.995 18.015 1.00 71.00 H new ATOM 0 HG3 LYS A 89 10.912 9.405 18.302 1.00 71.00 H new ATOM 0 HD2 LYS A 89 12.757 10.306 17.168 1.00 30.14 H new ATOM 0 HD3 LYS A 89 13.138 10.641 18.845 1.00 30.14 H new ATOM 0 HE2 LYS A 89 14.337 8.267 18.727 1.00 14.25 H new ATOM 0 HE3 LYS A 89 14.338 8.578 17.003 1.00 14.25 H new ATOM 0 HZ1 LYS A 89 16.364 9.372 18.037 1.00 75.25 H new ATOM 0 HZ2 LYS A 89 15.482 10.681 17.410 1.00 75.25 H new ATOM 0 HZ3 LYS A 89 15.482 10.379 19.081 1.00 75.25 H new ATOM 1439 N VAL A 90 9.897 6.933 22.642 1.00 5.01 N ATOM 1440 CA VAL A 90 9.890 6.675 24.077 1.00 13.00 C ATOM 1441 C VAL A 90 10.650 5.396 24.410 1.00 41.24 C ATOM 1442 O VAL A 90 10.881 5.084 25.578 1.00 64.22 O ATOM 1443 CB VAL A 90 8.453 6.560 24.619 1.00 55.40 C ATOM 1444 CG1 VAL A 90 7.775 5.312 24.075 1.00 33.12 C ATOM 1445 CG2 VAL A 90 8.456 6.556 26.140 1.00 20.42 C ATOM 0 H VAL A 90 9.047 6.645 22.157 1.00 5.01 H new ATOM 0 HA VAL A 90 10.384 7.522 24.553 1.00 13.00 H new ATOM 0 HB VAL A 90 7.886 7.428 24.282 1.00 55.40 H new ATOM 0 HG11 VAL A 90 6.761 5.248 24.469 1.00 33.12 H new ATOM 0 HG12 VAL A 90 7.739 5.362 22.987 1.00 33.12 H new ATOM 0 HG13 VAL A 90 8.339 4.430 24.379 1.00 33.12 H new ATOM 0 HG21 VAL A 90 7.432 6.474 26.506 1.00 20.42 H new ATOM 0 HG22 VAL A 90 9.039 5.708 26.500 1.00 20.42 H new ATOM 0 HG23 VAL A 90 8.899 7.483 26.505 1.00 20.42 H new ATOM 1455 N LYS A 91 11.038 4.659 23.374 1.00 33.24 N ATOM 1456 CA LYS A 91 11.774 3.413 23.555 1.00 44.53 C ATOM 1457 C LYS A 91 13.182 3.685 24.075 1.00 65.42 C ATOM 1458 O LYS A 91 13.822 2.805 24.653 1.00 54.24 O ATOM 1459 CB LYS A 91 11.847 2.644 22.234 1.00 75.11 C ATOM 1460 CG LYS A 91 12.627 3.368 21.150 1.00 34.40 C ATOM 1461 CD LYS A 91 14.092 2.965 21.155 1.00 51.53 C ATOM 1462 CE LYS A 91 14.783 3.363 19.859 1.00 1.25 C ATOM 1463 NZ LYS A 91 16.265 3.373 20.002 1.00 4.02 N ATOM 0 H LYS A 91 10.855 4.903 22.401 1.00 33.24 H new ATOM 0 HA LYS A 91 11.243 2.809 24.291 1.00 44.53 H new ATOM 0 HB2 LYS A 91 12.308 1.673 22.414 1.00 75.11 H new ATOM 0 HB3 LYS A 91 10.835 2.455 21.877 1.00 75.11 H new ATOM 0 HG2 LYS A 91 12.191 3.146 20.176 1.00 34.40 H new ATOM 0 HG3 LYS A 91 12.544 4.445 21.298 1.00 34.40 H new ATOM 0 HD2 LYS A 91 14.597 3.436 21.998 1.00 51.53 H new ATOM 0 HD3 LYS A 91 14.174 1.887 21.296 1.00 51.53 H new ATOM 0 HE2 LYS A 91 14.499 2.669 19.068 1.00 1.25 H new ATOM 0 HE3 LYS A 91 14.441 4.352 19.554 1.00 1.25 H new ATOM 0 HZ1 LYS A 91 16.699 3.649 19.098 1.00 4.02 H new ATOM 0 HZ2 LYS A 91 16.538 4.054 20.739 1.00 4.02 H new ATOM 0 HZ3 LYS A 91 16.594 2.423 20.269 1.00 4.02 H new ATOM 1477 N PHE A 92 13.660 4.907 23.867 1.00 13.42 N ATOM 1478 CA PHE A 92 14.992 5.294 24.316 1.00 43.32 C ATOM 1479 C PHE A 92 15.186 4.965 25.793 1.00 71.40 C ATOM 1480 O PHE A 92 16.300 4.687 26.237 1.00 11.44 O ATOM 1481 CB PHE A 92 15.218 6.789 24.081 1.00 3.34 C ATOM 1482 CG PHE A 92 14.549 7.664 25.103 1.00 50.15 C ATOM 1483 CD1 PHE A 92 13.175 7.623 25.276 1.00 70.32 C ATOM 1484 CD2 PHE A 92 15.294 8.528 25.889 1.00 51.32 C ATOM 1485 CE1 PHE A 92 12.556 8.426 26.215 1.00 51.12 C ATOM 1486 CE2 PHE A 92 14.680 9.334 26.830 1.00 65.44 C ATOM 1487 CZ PHE A 92 13.310 9.283 26.992 1.00 13.50 C ATOM 0 H PHE A 92 13.144 5.647 23.390 1.00 13.42 H new ATOM 0 HA PHE A 92 15.722 4.728 23.737 1.00 43.32 H new ATOM 0 HB2 PHE A 92 16.289 6.992 24.086 1.00 3.34 H new ATOM 0 HB3 PHE A 92 14.848 7.053 23.090 1.00 3.34 H new ATOM 0 HD1 PHE A 92 12.581 6.956 24.670 1.00 70.32 H new ATOM 0 HD2 PHE A 92 16.366 8.573 25.765 1.00 51.32 H new ATOM 0 HE1 PHE A 92 11.484 8.383 26.341 1.00 51.12 H new ATOM 0 HE2 PHE A 92 15.272 10.003 27.438 1.00 65.44 H new ATOM 0 HZ PHE A 92 12.829 9.913 27.726 1.00 13.50 H new ATOM 1497 N SER A 93 14.093 4.998 26.549 1.00 71.43 N ATOM 1498 CA SER A 93 14.142 4.707 27.977 1.00 70.12 C ATOM 1499 C SER A 93 13.956 3.215 28.234 1.00 34.41 C ATOM 1500 O SER A 93 13.701 2.443 27.311 1.00 24.30 O ATOM 1501 CB SER A 93 13.065 5.502 28.718 1.00 45.11 C ATOM 1502 OG SER A 93 12.743 4.893 29.956 1.00 72.31 O ATOM 0 H SER A 93 13.163 5.223 26.196 1.00 71.43 H new ATOM 0 HA SER A 93 15.123 5.003 28.350 1.00 70.12 H new ATOM 0 HB2 SER A 93 13.414 6.520 28.890 1.00 45.11 H new ATOM 0 HB3 SER A 93 12.170 5.572 28.100 1.00 45.11 H new ATOM 0 HG SER A 93 12.054 5.421 30.411 1.00 72.31 H new TER 1508 SER A 93