USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 995 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 GLY N :NH3+ -119:sc= 0.0595 (180deg=0) USER MOD Single : A 4 SER OG : rot 6:sc= 0.114 USER MOD Single : A 5 MET CE :methyl 166:sc=-0.000483 (180deg=-0.181) USER MOD Single : A 7 MET CE :methyl -170:sc= 0 (180deg=-0.09) USER MOD Single : A 9 SER OG : rot 57:sc= 1.27 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= 0.274 (180deg=0.235) USER MOD Single : A 24 THR OG1 : rot -61:sc= 1.61 USER MOD Single : A 25 MET CE :methyl -166:sc= 0 (180deg=-0.165) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.334 USER MOD Single : A 37 SER OG : rot -86:sc= -0.0122 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.96 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.02 K(o=-2,f=-8.2!) USER MOD Single : A 57 ASN : amide:sc= 0.235 K(o=0.24,f=-4.1!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= -0.458 (180deg=-0.65) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0741 X(o=-0.074,f=-0.44) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 106 LYS NZ :NH3+ 146:sc= -0.391 (180deg=-0.58) USER MOD Single : A 107 SER OG : rot 160:sc= -1.23 USER MOD Single : A 110 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.47) USER MOD Single : A 114 THR OG1 : rot -160:sc= -1.1 USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.0052 X(o=-0.0052,f=-0.0052) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -161:sc= -0.115 (180deg=-0.551) USER MOD Single : A 130 LYS NZ :NH3+ 160:sc= -0.0698 (180deg=-0.403) USER MOD Single : A 132 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.579 -11.425 -13.561 1.00 21.23 N ATOM 2 CA GLY A 1 13.826 -10.200 -13.760 1.00 1.15 C ATOM 3 C GLY A 1 12.391 -10.463 -14.173 1.00 71.30 C ATOM 4 O GLY A 1 11.947 -11.608 -14.256 1.00 35.24 O ATOM 0 H1 GLY A 1 14.909 -11.474 -12.576 1.00 21.23 H new ATOM 0 H2 GLY A 1 13.970 -12.244 -13.763 1.00 21.23 H new ATOM 0 H3 GLY A 1 15.399 -11.437 -14.201 1.00 21.23 H new ATOM 0 HA2 GLY A 1 13.835 -9.618 -12.839 1.00 1.15 H new ATOM 0 HA3 GLY A 1 14.316 -9.596 -14.524 1.00 1.15 H new ATOM 8 N PRO A 2 11.640 -9.384 -14.439 1.00 41.24 N ATOM 9 CA PRO A 2 10.237 -9.478 -14.850 1.00 63.15 C ATOM 10 C PRO A 2 10.079 -10.055 -16.252 1.00 20.20 C ATOM 11 O PRO A 2 11.063 -10.396 -16.908 1.00 62.40 O ATOM 12 CB PRO A 2 9.759 -8.024 -14.813 1.00 11.53 C ATOM 13 CG PRO A 2 10.993 -7.214 -15.011 1.00 31.44 C ATOM 14 CD PRO A 2 12.105 -7.989 -14.362 1.00 64.13 C ATOM 0 HA PRO A 2 9.668 -10.146 -14.204 1.00 63.15 H new ATOM 0 HB2 PRO A 2 9.027 -7.828 -15.596 1.00 11.53 H new ATOM 0 HB3 PRO A 2 9.280 -7.789 -13.863 1.00 11.53 H new ATOM 0 HG2 PRO A 2 11.192 -7.059 -16.071 1.00 31.44 H new ATOM 0 HG3 PRO A 2 10.889 -6.228 -14.559 1.00 31.44 H new ATOM 0 HD2 PRO A 2 13.050 -7.851 -14.887 1.00 64.13 H new ATOM 0 HD3 PRO A 2 12.265 -7.675 -13.330 1.00 64.13 H new ATOM 22 N GLY A 3 8.835 -10.161 -16.709 1.00 1.24 N ATOM 23 CA GLY A 3 8.572 -10.696 -18.032 1.00 33.32 C ATOM 24 C GLY A 3 8.738 -9.656 -19.121 1.00 12.15 C ATOM 25 O GLY A 3 9.381 -8.626 -18.915 1.00 41.34 O ATOM 0 H GLY A 3 8.004 -9.886 -16.186 1.00 1.24 H new ATOM 0 HA2 GLY A 3 9.247 -11.530 -18.224 1.00 33.32 H new ATOM 0 HA3 GLY A 3 7.558 -11.093 -18.065 1.00 33.32 H new ATOM 29 N SER A 4 8.160 -9.926 -20.288 1.00 32.11 N ATOM 30 CA SER A 4 8.252 -9.007 -21.416 1.00 61.32 C ATOM 31 C SER A 4 6.978 -9.050 -22.256 1.00 44.23 C ATOM 32 O SER A 4 6.687 -10.050 -22.911 1.00 73.31 O ATOM 33 CB SER A 4 9.461 -9.354 -22.286 1.00 44.43 C ATOM 34 OG SER A 4 10.671 -8.981 -21.649 1.00 11.15 O ATOM 0 H SER A 4 7.624 -10.773 -20.476 1.00 32.11 H new ATOM 0 HA SER A 4 8.374 -7.998 -21.022 1.00 61.32 H new ATOM 0 HB2 SER A 4 9.470 -10.424 -22.492 1.00 44.43 H new ATOM 0 HB3 SER A 4 9.380 -8.845 -23.247 1.00 44.43 H new ATOM 0 HG SER A 4 10.479 -8.666 -20.741 1.00 11.15 H new ATOM 40 N MET A 5 6.224 -7.956 -22.231 1.00 73.43 N ATOM 41 CA MET A 5 4.982 -7.867 -22.990 1.00 14.51 C ATOM 42 C MET A 5 5.142 -6.933 -24.186 1.00 15.11 C ATOM 43 O MET A 5 6.056 -6.110 -24.226 1.00 41.12 O ATOM 44 CB MET A 5 3.844 -7.376 -22.093 1.00 40.32 C ATOM 45 CG MET A 5 2.492 -7.974 -22.444 1.00 43.01 C ATOM 46 SD MET A 5 2.353 -9.705 -21.960 1.00 11.32 S ATOM 47 CE MET A 5 2.151 -9.547 -20.188 1.00 12.43 C ATOM 0 H MET A 5 6.451 -7.119 -21.694 1.00 73.43 H new ATOM 0 HA MET A 5 4.739 -8.863 -23.359 1.00 14.51 H new ATOM 0 HB2 MET A 5 4.080 -7.616 -21.056 1.00 40.32 H new ATOM 0 HB3 MET A 5 3.781 -6.290 -22.162 1.00 40.32 H new ATOM 0 HG2 MET A 5 1.706 -7.399 -21.954 1.00 43.01 H new ATOM 0 HG3 MET A 5 2.328 -7.887 -23.518 1.00 43.01 H new ATOM 0 HE1 MET A 5 1.807 -10.495 -19.775 1.00 12.43 H new ATOM 0 HE2 MET A 5 3.106 -9.279 -19.735 1.00 12.43 H new ATOM 0 HE3 MET A 5 1.417 -8.770 -19.973 1.00 12.43 H new ATOM 57 N ASP A 6 4.247 -7.068 -25.159 1.00 11.14 N ATOM 58 CA ASP A 6 4.288 -6.236 -26.356 1.00 63.34 C ATOM 59 C ASP A 6 2.978 -5.476 -26.535 1.00 5.21 C ATOM 60 O ASP A 6 1.994 -6.025 -27.030 1.00 71.42 O ATOM 61 CB ASP A 6 4.568 -7.094 -27.591 1.00 31.23 C ATOM 62 CG ASP A 6 6.052 -7.269 -27.849 1.00 65.22 C ATOM 63 OD1 ASP A 6 6.834 -7.225 -26.876 1.00 61.13 O ATOM 64 OD2 ASP A 6 6.431 -7.452 -29.025 1.00 11.11 O1- ATOM 0 H ASP A 6 3.485 -7.745 -25.142 1.00 11.14 H new ATOM 0 HA ASP A 6 5.094 -5.512 -26.237 1.00 63.34 H new ATOM 0 HB2 ASP A 6 4.106 -8.073 -27.462 1.00 31.23 H new ATOM 0 HB3 ASP A 6 4.102 -6.634 -28.463 1.00 31.23 H new ATOM 69 N MET A 7 2.972 -4.211 -26.129 1.00 24.45 N ATOM 70 CA MET A 7 1.782 -3.376 -26.246 1.00 12.31 C ATOM 71 C MET A 7 2.153 -1.954 -26.654 1.00 2.41 C ATOM 72 O MET A 7 3.246 -1.475 -26.351 1.00 61.54 O ATOM 73 CB MET A 7 1.016 -3.356 -24.922 1.00 11.23 C ATOM 74 CG MET A 7 0.812 -4.735 -24.316 1.00 51.32 C ATOM 75 SD MET A 7 -0.625 -4.812 -23.231 1.00 25.32 S ATOM 76 CE MET A 7 -0.207 -3.557 -22.023 1.00 62.51 C ATOM 0 H MET A 7 3.778 -3.741 -25.716 1.00 24.45 H new ATOM 0 HA MET A 7 1.144 -3.802 -27.021 1.00 12.31 H new ATOM 0 HB2 MET A 7 1.555 -2.731 -24.210 1.00 11.23 H new ATOM 0 HB3 MET A 7 0.043 -2.891 -25.082 1.00 11.23 H new ATOM 0 HG2 MET A 7 0.697 -5.466 -25.117 1.00 51.32 H new ATOM 0 HG3 MET A 7 1.702 -5.016 -23.753 1.00 51.32 H new ATOM 0 HE1 MET A 7 -0.908 -3.607 -21.189 1.00 62.51 H new ATOM 0 HE2 MET A 7 0.805 -3.727 -21.657 1.00 62.51 H new ATOM 0 HE3 MET A 7 -0.264 -2.572 -22.487 1.00 62.51 H new ATOM 86 N PHE A 8 1.236 -1.283 -27.344 1.00 3.54 N ATOM 87 CA PHE A 8 1.468 0.085 -27.794 1.00 21.13 C ATOM 88 C PHE A 8 0.227 0.946 -27.577 1.00 4.32 C ATOM 89 O PHE A 8 -0.893 0.524 -27.863 1.00 2.32 O ATOM 90 CB PHE A 8 1.859 0.097 -29.274 1.00 31.03 C ATOM 91 CG PHE A 8 0.892 -0.640 -30.155 1.00 51.20 C ATOM 92 CD1 PHE A 8 1.033 -2.001 -30.375 1.00 71.41 C ATOM 93 CD2 PHE A 8 -0.157 0.028 -30.766 1.00 54.22 C ATOM 94 CE1 PHE A 8 0.145 -2.682 -31.186 1.00 55.12 C ATOM 95 CE2 PHE A 8 -1.049 -0.648 -31.577 1.00 71.44 C ATOM 96 CZ PHE A 8 -0.897 -2.004 -31.788 1.00 63.50 C ATOM 0 H PHE A 8 0.326 -1.664 -27.603 1.00 3.54 H new ATOM 0 HA PHE A 8 2.285 0.502 -27.206 1.00 21.13 H new ATOM 0 HB2 PHE A 8 1.933 1.130 -29.614 1.00 31.03 H new ATOM 0 HB3 PHE A 8 2.849 -0.346 -29.384 1.00 31.03 H new ATOM 0 HD1 PHE A 8 1.846 -2.536 -29.907 1.00 71.41 H new ATOM 0 HD2 PHE A 8 -0.279 1.089 -30.607 1.00 54.22 H new ATOM 0 HE1 PHE A 8 0.266 -3.743 -31.349 1.00 55.12 H new ATOM 0 HE2 PHE A 8 -1.864 -0.116 -32.045 1.00 71.44 H new ATOM 0 HZ PHE A 8 -1.592 -2.534 -32.423 1.00 63.50 H new ATOM 106 N SER A 9 0.436 2.156 -27.069 1.00 44.14 N ATOM 107 CA SER A 9 -0.664 3.077 -26.809 1.00 63.12 C ATOM 108 C SER A 9 -0.140 4.464 -26.451 1.00 52.32 C ATOM 109 O SER A 9 1.069 4.693 -26.419 1.00 53.53 O ATOM 110 CB SER A 9 -1.545 2.545 -25.676 1.00 34.53 C ATOM 111 OG SER A 9 -2.524 1.648 -26.171 1.00 72.44 O ATOM 0 H SER A 9 1.358 2.522 -26.829 1.00 44.14 H new ATOM 0 HA SER A 9 -1.260 3.157 -27.718 1.00 63.12 H new ATOM 0 HB2 SER A 9 -0.925 2.040 -24.936 1.00 34.53 H new ATOM 0 HB3 SER A 9 -2.033 3.377 -25.169 1.00 34.53 H new ATOM 0 HG SER A 9 -2.084 0.917 -26.653 1.00 72.44 H new ATOM 117 N ALA A 10 -1.059 5.386 -26.184 1.00 24.13 N ATOM 118 CA ALA A 10 -0.689 6.750 -25.827 1.00 0.13 C ATOM 119 C ALA A 10 -1.312 7.158 -24.496 1.00 51.52 C ATOM 120 O ALA A 10 -2.196 8.012 -24.431 1.00 13.44 O ATOM 121 CB ALA A 10 -1.110 7.716 -26.925 1.00 71.34 C ATOM 0 H ALA A 10 -2.064 5.213 -26.208 1.00 24.13 H new ATOM 0 HA ALA A 10 0.395 6.789 -25.719 1.00 0.13 H new ATOM 0 HB1 ALA A 10 -0.827 8.731 -26.645 1.00 71.34 H new ATOM 0 HB2 ALA A 10 -0.614 7.446 -27.857 1.00 71.34 H new ATOM 0 HB3 ALA A 10 -2.190 7.665 -27.060 1.00 71.34 H new ATOM 127 N PRO A 11 -0.842 6.531 -23.406 1.00 62.34 N ATOM 128 CA PRO A 11 -1.340 6.812 -22.056 1.00 14.41 C ATOM 129 C PRO A 11 -0.925 8.194 -21.561 1.00 62.40 C ATOM 130 O PRO A 11 -0.387 9.000 -22.320 1.00 14.13 O ATOM 131 CB PRO A 11 -0.687 5.720 -21.204 1.00 63.20 C ATOM 132 CG PRO A 11 0.545 5.343 -21.951 1.00 52.41 C ATOM 133 CD PRO A 11 0.211 5.502 -23.409 1.00 63.23 C ATOM 0 HA PRO A 11 -2.429 6.811 -22.014 1.00 14.41 H new ATOM 0 HB2 PRO A 11 -0.448 6.087 -20.206 1.00 63.20 H new ATOM 0 HB3 PRO A 11 -1.351 4.865 -21.079 1.00 63.20 H new ATOM 0 HG2 PRO A 11 1.382 5.982 -21.671 1.00 52.41 H new ATOM 0 HG3 PRO A 11 0.838 4.317 -21.728 1.00 52.41 H new ATOM 0 HD2 PRO A 11 1.079 5.817 -23.988 1.00 63.23 H new ATOM 0 HD3 PRO A 11 -0.141 4.567 -23.845 1.00 63.23 H new ATOM 141 N ASP A 12 -1.178 8.460 -20.285 1.00 1.52 N ATOM 142 CA ASP A 12 -0.830 9.743 -19.688 1.00 54.24 C ATOM 143 C ASP A 12 0.264 9.576 -18.639 1.00 1.12 C ATOM 144 O ASP A 12 0.388 10.388 -17.721 1.00 33.35 O ATOM 145 CB ASP A 12 -2.065 10.389 -19.056 1.00 65.52 C ATOM 146 CG ASP A 12 -3.327 10.129 -19.856 1.00 11.11 C ATOM 147 OD1 ASP A 12 -4.317 9.653 -19.263 1.00 53.53 O ATOM 148 OD2 ASP A 12 -3.323 10.401 -21.073 1.00 73.21 O1- ATOM 0 H ASP A 12 -1.623 7.804 -19.644 1.00 1.52 H new ATOM 0 HA ASP A 12 -0.454 10.392 -20.479 1.00 54.24 H new ATOM 0 HB2 ASP A 12 -2.194 10.006 -18.044 1.00 65.52 H new ATOM 0 HB3 ASP A 12 -1.906 11.464 -18.972 1.00 65.52 H new ATOM 153 N ARG A 13 1.055 8.517 -18.779 1.00 62.40 N ATOM 154 CA ARG A 13 2.137 8.242 -17.842 1.00 13.43 C ATOM 155 C ARG A 13 3.104 7.211 -18.415 1.00 51.13 C ATOM 156 O ARG A 13 2.685 6.209 -18.996 1.00 65.25 O ATOM 157 CB ARG A 13 1.573 7.744 -16.510 1.00 71.33 C ATOM 158 CG ARG A 13 2.403 8.154 -15.305 1.00 64.41 C ATOM 159 CD ARG A 13 1.544 8.300 -14.060 1.00 64.44 C ATOM 160 NE ARG A 13 0.541 9.352 -14.207 1.00 53.53 N ATOM 161 CZ ARG A 13 0.830 10.648 -14.202 1.00 72.45 C ATOM 162 NH1 ARG A 13 2.086 11.051 -14.056 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -0.137 11.545 -14.342 1.00 74.21 N ATOM 0 H ARG A 13 0.966 7.835 -19.533 1.00 62.40 H new ATOM 0 HA ARG A 13 2.682 9.171 -17.673 1.00 13.43 H new ATOM 0 HB2 ARG A 13 0.559 8.126 -16.389 1.00 71.33 H new ATOM 0 HB3 ARG A 13 1.503 6.657 -16.539 1.00 71.33 H new ATOM 0 HG2 ARG A 13 3.180 7.410 -15.127 1.00 64.41 H new ATOM 0 HG3 ARG A 13 2.907 9.098 -15.513 1.00 64.41 H new ATOM 0 HD2 ARG A 13 1.048 7.353 -13.849 1.00 64.44 H new ATOM 0 HD3 ARG A 13 2.181 8.524 -13.204 1.00 64.44 H new ATOM 0 HE ARG A 13 -0.434 9.076 -14.320 1.00 53.53 H new ATOM 0 HH11 ARG A 13 2.833 10.364 -13.947 1.00 1.02 H new ATOM 0 HH12 ARG A 13 2.305 12.047 -14.053 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -1.104 11.240 -14.454 1.00 74.21 H new ATOM 0 HH22 ARG A 13 0.086 12.540 -14.338 1.00 74.21 H new ATOM 177 N ILE A 14 4.397 7.463 -18.250 1.00 31.23 N ATOM 178 CA ILE A 14 5.423 6.556 -18.750 1.00 21.45 C ATOM 179 C ILE A 14 5.455 5.263 -17.942 1.00 33.43 C ATOM 180 O ILE A 14 5.448 5.270 -16.711 1.00 4.22 O ATOM 181 CB ILE A 14 6.818 7.207 -18.712 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.819 8.511 -19.513 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.867 6.246 -19.253 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.581 8.311 -20.992 1.00 72.40 C ATOM 0 H ILE A 14 4.760 8.289 -17.773 1.00 31.23 H new ATOM 0 HA ILE A 14 5.166 6.329 -19.785 1.00 21.45 H new ATOM 0 HB ILE A 14 7.066 7.439 -17.676 1.00 63.41 H new ATOM 0 HG12 ILE A 14 6.049 9.173 -19.116 1.00 40.21 H new ATOM 0 HG13 ILE A 14 7.776 9.014 -19.372 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.847 6.721 -19.219 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.881 5.342 -18.644 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.625 5.986 -20.283 1.00 71.10 H new ATOM 0 HD11 ILE A 14 6.595 9.277 -21.497 1.00 72.40 H new ATOM 0 HD12 ILE A 14 7.365 7.675 -21.404 1.00 72.40 H new ATOM 0 HD13 ILE A 14 5.612 7.836 -21.144 1.00 72.40 H new ATOM 196 N PRO A 15 5.493 4.123 -18.651 1.00 52.44 N ATOM 197 CA PRO A 15 5.529 2.801 -18.020 1.00 71.33 C ATOM 198 C PRO A 15 6.857 2.527 -17.323 1.00 44.54 C ATOM 199 O PRO A 15 7.688 3.424 -17.176 1.00 21.35 O ATOM 200 CB PRO A 15 5.335 1.842 -19.197 1.00 32.33 C ATOM 201 CG PRO A 15 5.825 2.595 -20.385 1.00 35.51 C ATOM 202 CD PRO A 15 5.504 4.039 -20.120 1.00 52.11 C ATOM 0 HA PRO A 15 4.774 2.700 -17.241 1.00 71.33 H new ATOM 0 HB2 PRO A 15 5.898 0.920 -19.053 1.00 32.33 H new ATOM 0 HB3 PRO A 15 4.288 1.562 -19.311 1.00 32.33 H new ATOM 0 HG2 PRO A 15 6.897 2.452 -20.523 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.337 2.247 -21.296 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.251 4.703 -20.555 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.541 4.321 -20.546 1.00 52.11 H new ATOM 210 N GLU A 16 7.052 1.283 -16.897 1.00 24.10 N ATOM 211 CA GLU A 16 8.281 0.893 -16.215 1.00 63.23 C ATOM 212 C GLU A 16 9.506 1.305 -17.025 1.00 23.52 C ATOM 213 O GLU A 16 9.426 1.488 -18.240 1.00 3.13 O ATOM 214 CB GLU A 16 8.299 -0.618 -15.975 1.00 12.45 C ATOM 215 CG GLU A 16 7.594 -1.039 -14.695 1.00 54.23 C ATOM 216 CD GLU A 16 8.129 -2.345 -14.138 1.00 62.22 C ATOM 217 OE1 GLU A 16 8.653 -2.335 -13.005 1.00 73.31 O ATOM 218 OE2 GLU A 16 8.021 -3.375 -14.835 1.00 11.13 O1- ATOM 0 H GLU A 16 6.375 0.528 -17.012 1.00 24.10 H new ATOM 0 HA GLU A 16 8.313 1.407 -15.254 1.00 63.23 H new ATOM 0 HB2 GLU A 16 7.827 -1.118 -16.821 1.00 12.45 H new ATOM 0 HB3 GLU A 16 9.333 -0.960 -15.940 1.00 12.45 H new ATOM 0 HG2 GLU A 16 7.708 -0.255 -13.947 1.00 54.23 H new ATOM 0 HG3 GLU A 16 6.526 -1.141 -14.889 1.00 54.23 H new ATOM 225 N GLN A 17 10.638 1.448 -16.343 1.00 15.32 N ATOM 226 CA GLN A 17 11.881 1.840 -16.999 1.00 43.30 C ATOM 227 C GLN A 17 12.453 0.685 -17.814 1.00 14.04 C ATOM 228 O GLN A 17 12.536 -0.446 -17.334 1.00 32.12 O ATOM 229 CB GLN A 17 12.905 2.304 -15.962 1.00 2.54 C ATOM 230 CG GLN A 17 13.125 1.307 -14.836 1.00 15.05 C ATOM 231 CD GLN A 17 14.589 1.140 -14.482 1.00 5.52 C ATOM 232 OE1 GLN A 17 15.270 0.259 -15.008 1.00 25.01 O ATOM 233 NE2 GLN A 17 15.083 1.986 -13.587 1.00 30.14 N ATOM 0 H GLN A 17 10.720 1.299 -15.337 1.00 15.32 H new ATOM 0 HA GLN A 17 11.661 2.665 -17.676 1.00 43.30 H new ATOM 0 HB2 GLN A 17 13.856 2.491 -16.461 1.00 2.54 H new ATOM 0 HB3 GLN A 17 12.576 3.252 -15.537 1.00 2.54 H new ATOM 0 HG2 GLN A 17 12.577 1.635 -13.953 1.00 15.05 H new ATOM 0 HG3 GLN A 17 12.713 0.341 -15.126 1.00 15.05 H new ATOM 0 HE21 GLN A 17 14.483 2.701 -13.176 1.00 30.14 H new ATOM 0 HE22 GLN A 17 16.063 1.921 -13.310 1.00 30.14 H new ATOM 242 N ILE A 18 12.845 0.977 -19.050 1.00 24.21 N ATOM 243 CA ILE A 18 13.410 -0.037 -19.931 1.00 45.03 C ATOM 244 C ILE A 18 14.827 0.333 -20.358 1.00 53.13 C ATOM 245 O ILE A 18 15.333 1.398 -20.006 1.00 34.14 O ATOM 246 CB ILE A 18 12.543 -0.237 -21.189 1.00 12.34 C ATOM 247 CG1 ILE A 18 12.470 1.062 -21.996 1.00 64.44 C ATOM 248 CG2 ILE A 18 11.148 -0.704 -20.801 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.521 1.160 -23.080 1.00 51.52 C ATOM 0 H ILE A 18 12.782 1.907 -19.463 1.00 24.21 H new ATOM 0 HA ILE A 18 13.435 -0.968 -19.365 1.00 45.03 H new ATOM 0 HB ILE A 18 13.003 -1.005 -21.811 1.00 12.34 H new ATOM 0 HG12 ILE A 18 11.482 1.143 -22.450 1.00 64.44 H new ATOM 0 HG13 ILE A 18 12.579 1.908 -21.318 1.00 64.44 H new ATOM 0 HG21 ILE A 18 10.547 -0.841 -21.700 1.00 30.13 H new ATOM 0 HG22 ILE A 18 11.217 -1.650 -20.263 1.00 30.13 H new ATOM 0 HG23 ILE A 18 10.679 0.044 -20.161 1.00 30.13 H new ATOM 0 HD11 ILE A 18 13.409 2.106 -23.611 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.513 1.111 -22.631 1.00 51.52 H new ATOM 0 HD13 ILE A 18 13.399 0.334 -23.781 1.00 51.52 H new ATOM 261 N ARG A 19 15.459 -0.553 -21.120 1.00 71.23 N ATOM 262 CA ARG A 19 16.817 -0.319 -21.596 1.00 75.34 C ATOM 263 C ARG A 19 16.836 -0.119 -23.109 1.00 62.41 C ATOM 264 O ARG A 19 15.982 -0.643 -23.825 1.00 51.13 O ATOM 265 CB ARG A 19 17.723 -1.492 -21.214 1.00 70.32 C ATOM 266 CG ARG A 19 19.168 -1.089 -20.966 1.00 12.13 C ATOM 267 CD ARG A 19 19.845 -2.029 -19.980 1.00 72.31 C ATOM 268 NE ARG A 19 19.986 -1.427 -18.658 1.00 22.42 N ATOM 269 CZ ARG A 19 20.344 -2.108 -17.575 1.00 11.21 C ATOM 270 NH1 ARG A 19 20.596 -3.407 -17.657 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 20.451 -1.489 -16.406 1.00 23.13 N ATOM 0 H ARG A 19 15.053 -1.439 -21.421 1.00 71.23 H new ATOM 0 HA ARG A 19 17.190 0.589 -21.122 1.00 75.34 H new ATOM 0 HB2 ARG A 19 17.328 -1.968 -20.316 1.00 70.32 H new ATOM 0 HB3 ARG A 19 17.694 -2.237 -22.009 1.00 70.32 H new ATOM 0 HG2 ARG A 19 19.715 -1.093 -21.909 1.00 12.13 H new ATOM 0 HG3 ARG A 19 19.202 -0.070 -20.581 1.00 12.13 H new ATOM 0 HD2 ARG A 19 19.265 -2.948 -19.899 1.00 72.31 H new ATOM 0 HD3 ARG A 19 20.829 -2.305 -20.359 1.00 72.31 H new ATOM 0 HE ARG A 19 19.800 -0.429 -18.560 1.00 22.42 H new ATOM 0 HH11 ARG A 19 20.515 -3.887 -18.554 1.00 43.31 H new ATOM 0 HH12 ARG A 19 20.871 -3.927 -16.823 1.00 43.31 H new ATOM 0 HH21 ARG A 19 20.258 -0.490 -16.339 1.00 23.13 H new ATOM 0 HH22 ARG A 19 20.726 -2.013 -15.575 1.00 23.13 H new ATOM 285 N ILE A 20 17.816 0.641 -23.588 1.00 35.55 N ATOM 286 CA ILE A 20 17.945 0.909 -25.015 1.00 64.45 C ATOM 287 C ILE A 20 19.393 0.765 -25.471 1.00 32.03 C ATOM 288 O ILE A 20 20.313 0.727 -24.653 1.00 53.21 O ATOM 289 CB ILE A 20 17.444 2.320 -25.370 1.00 75.13 C ATOM 290 CG1 ILE A 20 17.951 3.338 -24.347 1.00 15.54 C ATOM 291 CG2 ILE A 20 15.924 2.341 -25.438 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.202 4.711 -24.932 1.00 21.13 C ATOM 0 H ILE A 20 18.531 1.081 -23.009 1.00 35.55 H new ATOM 0 HA ILE A 20 17.329 0.174 -25.532 1.00 64.45 H new ATOM 0 HB ILE A 20 17.836 2.592 -26.350 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.223 3.423 -23.540 1.00 15.54 H new ATOM 0 HG13 ILE A 20 18.875 2.966 -23.904 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.585 3.346 -25.690 1.00 21.23 H new ATOM 0 HG22 ILE A 20 15.584 1.641 -26.201 1.00 21.23 H new ATOM 0 HG23 ILE A 20 15.513 2.051 -24.471 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.560 5.380 -24.149 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.953 4.639 -25.719 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.275 5.104 -25.349 1.00 21.13 H new ATOM 304 N PHE A 21 19.590 0.689 -26.783 1.00 73.53 N ATOM 305 CA PHE A 21 20.926 0.552 -27.349 1.00 64.54 C ATOM 306 C PHE A 21 21.325 1.809 -28.116 1.00 32.43 C ATOM 307 O PHE A 21 20.613 2.253 -29.018 1.00 22.23 O ATOM 308 CB PHE A 21 20.988 -0.665 -28.276 1.00 22.21 C ATOM 309 CG PHE A 21 21.597 -1.878 -27.633 1.00 75.22 C ATOM 310 CD1 PHE A 21 22.931 -2.191 -27.839 1.00 21.22 C ATOM 311 CD2 PHE A 21 20.836 -2.705 -26.824 1.00 14.32 C ATOM 312 CE1 PHE A 21 23.495 -3.306 -27.249 1.00 63.25 C ATOM 313 CE2 PHE A 21 21.394 -3.821 -26.230 1.00 44.12 C ATOM 314 CZ PHE A 21 22.725 -4.123 -26.444 1.00 20.14 C ATOM 0 H PHE A 21 18.841 0.720 -27.474 1.00 73.53 H new ATOM 0 HA PHE A 21 21.628 0.411 -26.527 1.00 64.54 H new ATOM 0 HB2 PHE A 21 19.980 -0.909 -28.610 1.00 22.21 H new ATOM 0 HB3 PHE A 21 21.565 -0.406 -29.164 1.00 22.21 H new ATOM 0 HD1 PHE A 21 23.537 -1.556 -28.468 1.00 21.22 H new ATOM 0 HD2 PHE A 21 19.794 -2.475 -26.655 1.00 14.32 H new ATOM 0 HE1 PHE A 21 24.536 -3.538 -27.417 1.00 63.25 H new ATOM 0 HE2 PHE A 21 20.790 -4.456 -25.599 1.00 44.12 H new ATOM 0 HZ PHE A 21 23.163 -4.996 -25.983 1.00 20.14 H new ATOM 324 N PHE A 22 22.468 2.382 -27.750 1.00 34.14 N ATOM 325 CA PHE A 22 22.961 3.589 -28.401 1.00 71.33 C ATOM 326 C PHE A 22 23.875 3.241 -29.573 1.00 24.13 C ATOM 327 O PHE A 22 25.033 2.872 -29.383 1.00 42.03 O ATOM 328 CB PHE A 22 23.712 4.465 -27.396 1.00 34.11 C ATOM 329 CG PHE A 22 23.237 5.890 -27.370 1.00 21.32 C ATOM 330 CD1 PHE A 22 22.874 6.492 -26.176 1.00 55.45 C ATOM 331 CD2 PHE A 22 23.152 6.628 -28.540 1.00 11.41 C ATOM 332 CE1 PHE A 22 22.437 7.802 -26.148 1.00 43.04 C ATOM 333 CE2 PHE A 22 22.716 7.938 -28.519 1.00 34.04 C ATOM 334 CZ PHE A 22 22.357 8.526 -27.322 1.00 31.31 C ATOM 0 H PHE A 22 23.069 2.029 -27.006 1.00 34.14 H new ATOM 0 HA PHE A 22 22.103 4.141 -28.784 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.603 4.036 -26.400 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.775 4.449 -27.636 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.933 5.930 -25.256 1.00 55.45 H new ATOM 0 HD2 PHE A 22 23.430 6.173 -29.479 1.00 11.41 H new ATOM 0 HE1 PHE A 22 22.158 8.259 -25.210 1.00 43.04 H new ATOM 0 HE2 PHE A 22 22.656 8.502 -29.438 1.00 34.04 H new ATOM 0 HZ PHE A 22 22.014 9.550 -27.304 1.00 31.31 H new ATOM 344 N LYS A 23 23.344 3.362 -30.785 1.00 30.42 N ATOM 345 CA LYS A 23 24.110 3.061 -31.990 1.00 1.30 C ATOM 346 C LYS A 23 24.605 4.343 -32.653 1.00 12.33 C ATOM 347 O LYS A 23 23.811 5.183 -33.075 1.00 50.24 O ATOM 348 CB LYS A 23 23.256 2.261 -32.975 1.00 51.30 C ATOM 349 CG LYS A 23 23.932 2.026 -34.314 1.00 73.32 C ATOM 350 CD LYS A 23 25.275 1.334 -34.147 1.00 53.34 C ATOM 351 CE LYS A 23 25.985 1.165 -35.482 1.00 11.44 C ATOM 352 NZ LYS A 23 27.465 1.154 -35.324 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.386 3.666 -30.959 1.00 30.42 H new ATOM 0 HA LYS A 23 24.975 2.464 -31.702 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.008 1.298 -32.529 1.00 51.30 H new ATOM 0 HB3 LYS A 23 22.316 2.788 -33.139 1.00 51.30 H new ATOM 0 HG2 LYS A 23 23.285 1.419 -34.948 1.00 73.32 H new ATOM 0 HG3 LYS A 23 24.074 2.979 -34.823 1.00 73.32 H new ATOM 0 HD2 LYS A 23 25.903 1.914 -33.471 1.00 53.34 H new ATOM 0 HD3 LYS A 23 25.127 0.357 -33.686 1.00 53.34 H new ATOM 0 HE2 LYS A 23 25.663 0.235 -35.950 1.00 11.44 H new ATOM 0 HE3 LYS A 23 25.697 1.975 -36.152 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 27.914 1.122 -36.262 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 27.767 2.015 -34.824 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 27.749 0.317 -34.776 1.00 75.34 H new ATOM 366 N THR A 24 25.923 4.485 -32.743 1.00 1.24 N ATOM 367 CA THR A 24 26.525 5.663 -33.355 1.00 41.43 C ATOM 368 C THR A 24 27.474 5.273 -34.483 1.00 55.05 C ATOM 369 O THR A 24 27.778 4.095 -34.671 1.00 23.40 O ATOM 370 CB THR A 24 27.294 6.504 -32.320 1.00 24.11 C ATOM 371 OG1 THR A 24 28.495 5.826 -31.932 1.00 65.51 O ATOM 372 CG2 THR A 24 26.436 6.768 -31.091 1.00 50.11 C ATOM 0 H THR A 24 26.595 3.798 -32.400 1.00 1.24 H new ATOM 0 HA THR A 24 25.708 6.260 -33.761 1.00 41.43 H new ATOM 0 HB THR A 24 27.548 7.460 -32.779 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.267 4.966 -31.521 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.001 7.364 -30.374 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.537 7.310 -31.385 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.155 5.820 -30.633 1.00 50.11 H new ATOM 380 N MET A 25 27.940 6.269 -35.230 1.00 73.10 N ATOM 381 CA MET A 25 28.857 6.028 -36.338 1.00 52.45 C ATOM 382 C MET A 25 30.264 5.737 -35.825 1.00 2.30 C ATOM 383 O MET A 25 31.151 5.363 -36.594 1.00 33.11 O ATOM 384 CB MET A 25 28.884 7.236 -37.276 1.00 30.23 C ATOM 385 CG MET A 25 27.781 7.218 -38.323 1.00 63.33 C ATOM 386 SD MET A 25 28.025 5.937 -39.568 1.00 45.42 S ATOM 387 CE MET A 25 29.350 6.655 -40.535 1.00 4.22 C ATOM 0 H MET A 25 27.698 7.250 -35.088 1.00 73.10 H new ATOM 0 HA MET A 25 28.502 5.157 -36.889 1.00 52.45 H new ATOM 0 HB2 MET A 25 28.797 8.147 -36.684 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.850 7.274 -37.779 1.00 30.23 H new ATOM 0 HG2 MET A 25 26.821 7.063 -37.831 1.00 63.33 H new ATOM 0 HG3 MET A 25 27.734 8.191 -38.813 1.00 63.33 H new ATOM 0 HE1 MET A 25 29.448 6.114 -41.476 1.00 4.22 H new ATOM 0 HE2 MET A 25 29.125 7.702 -40.740 1.00 4.22 H new ATOM 0 HE3 MET A 25 30.285 6.587 -39.978 1.00 4.22 H new ATOM 397 N LYS A 26 30.461 5.909 -34.523 1.00 24.12 N ATOM 398 CA LYS A 26 31.760 5.663 -33.907 1.00 45.31 C ATOM 399 C LYS A 26 31.809 4.276 -33.274 1.00 52.32 C ATOM 400 O LYS A 26 32.831 3.594 -33.331 1.00 42.42 O ATOM 401 CB LYS A 26 32.055 6.729 -32.849 1.00 13.34 C ATOM 402 CG LYS A 26 33.416 6.573 -32.192 1.00 61.12 C ATOM 403 CD LYS A 26 34.543 6.858 -33.170 1.00 13.14 C ATOM 404 CE LYS A 26 34.733 8.352 -33.382 1.00 42.23 C ATOM 405 NZ LYS A 26 35.563 8.964 -32.307 1.00 4.53 N1+ ATOM 0 H LYS A 26 29.738 6.218 -33.873 1.00 24.12 H new ATOM 0 HA LYS A 26 32.520 5.713 -34.687 1.00 45.31 H new ATOM 0 HB2 LYS A 26 31.995 7.714 -33.311 1.00 13.34 H new ATOM 0 HB3 LYS A 26 31.283 6.690 -32.080 1.00 13.34 H new ATOM 0 HG2 LYS A 26 33.491 7.251 -31.342 1.00 61.12 H new ATOM 0 HG3 LYS A 26 33.519 5.560 -31.802 1.00 61.12 H new ATOM 0 HD2 LYS A 26 35.469 6.422 -32.796 1.00 13.14 H new ATOM 0 HD3 LYS A 26 34.327 6.379 -34.125 1.00 13.14 H new ATOM 0 HE2 LYS A 26 35.206 8.524 -34.349 1.00 42.23 H new ATOM 0 HE3 LYS A 26 33.759 8.841 -33.412 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 35.669 9.983 -32.488 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 35.099 8.822 -31.387 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 36.501 8.515 -32.295 1.00 4.53 H new ATOM 419 N GLN A 27 30.697 3.865 -32.673 1.00 23.51 N ATOM 420 CA GLN A 27 30.614 2.559 -32.031 1.00 54.41 C ATOM 421 C GLN A 27 29.238 2.344 -31.409 1.00 32.12 C ATOM 422 O GLN A 27 28.391 3.239 -31.425 1.00 31.42 O ATOM 423 CB GLN A 27 31.697 2.425 -30.960 1.00 35.15 C ATOM 424 CG GLN A 27 31.810 3.638 -30.052 1.00 31.13 C ATOM 425 CD GLN A 27 32.880 3.475 -28.991 1.00 41.01 C ATOM 426 OE1 GLN A 27 33.985 3.012 -29.272 1.00 14.54 O ATOM 427 NE2 GLN A 27 32.557 3.858 -27.760 1.00 44.23 N ATOM 0 H GLN A 27 29.841 4.418 -32.617 1.00 23.51 H new ATOM 0 HA GLN A 27 30.770 1.796 -32.794 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.488 1.545 -30.352 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.658 2.255 -31.446 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.032 4.519 -30.655 1.00 31.13 H new ATOM 0 HG3 GLN A 27 30.849 3.816 -29.569 1.00 31.13 H new ATOM 0 HE21 GLN A 27 31.629 4.237 -27.571 1.00 44.23 H new ATOM 0 HE22 GLN A 27 33.237 3.773 -27.005 1.00 44.23 H new ATOM 436 N VAL A 28 29.021 1.153 -30.861 1.00 3.05 N ATOM 437 CA VAL A 28 27.748 0.822 -30.233 1.00 24.14 C ATOM 438 C VAL A 28 27.904 0.666 -28.724 1.00 72.01 C ATOM 439 O VAL A 28 28.720 -0.125 -28.251 1.00 14.41 O ATOM 440 CB VAL A 28 27.156 -0.477 -30.813 1.00 50.21 C ATOM 441 CG1 VAL A 28 25.732 -0.682 -30.320 1.00 4.54 C ATOM 442 CG2 VAL A 28 27.205 -0.450 -32.333 1.00 44.43 C ATOM 0 H VAL A 28 29.710 0.401 -30.839 1.00 3.05 H new ATOM 0 HA VAL A 28 27.068 1.648 -30.442 1.00 24.14 H new ATOM 0 HB VAL A 28 27.758 -1.317 -30.467 1.00 50.21 H new ATOM 0 HG11 VAL A 28 25.331 -1.604 -30.740 1.00 4.54 H new ATOM 0 HG12 VAL A 28 25.730 -0.748 -29.232 1.00 4.54 H new ATOM 0 HG13 VAL A 28 25.114 0.159 -30.634 1.00 4.54 H new ATOM 0 HG21 VAL A 28 26.783 -1.375 -32.727 1.00 44.43 H new ATOM 0 HG22 VAL A 28 26.627 0.398 -32.701 1.00 44.43 H new ATOM 0 HG23 VAL A 28 28.240 -0.354 -32.662 1.00 44.43 H new ATOM 452 N VAL A 29 27.113 1.425 -27.971 1.00 62.35 N ATOM 453 CA VAL A 29 27.162 1.370 -26.515 1.00 73.41 C ATOM 454 C VAL A 29 25.763 1.239 -25.923 1.00 41.43 C ATOM 455 O VAL A 29 24.774 1.704 -26.492 1.00 63.42 O ATOM 456 CB VAL A 29 27.839 2.624 -25.929 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.343 2.418 -25.825 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.517 3.847 -26.773 1.00 63.42 C ATOM 0 H VAL A 29 26.431 2.085 -28.346 1.00 62.35 H new ATOM 0 HA VAL A 29 27.750 0.491 -26.251 1.00 73.41 H new ATOM 0 HB VAL A 29 27.449 2.792 -24.925 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.805 3.313 -25.409 1.00 32.35 H new ATOM 0 HG12 VAL A 29 29.550 1.568 -25.175 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.753 2.225 -26.816 1.00 32.35 H new ATOM 0 HG21 VAL A 29 28.003 4.723 -26.344 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.878 3.693 -27.790 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.438 4.003 -26.791 1.00 63.42 H new ATOM 468 N PRO A 30 25.675 0.590 -24.753 1.00 73.00 N ATOM 469 CA PRO A 30 24.400 0.382 -24.057 1.00 3.14 C ATOM 470 C PRO A 30 23.830 1.679 -23.492 1.00 71.14 C ATOM 471 O PRO A 30 24.566 2.630 -23.231 1.00 11.03 O ATOM 472 CB PRO A 30 24.769 -0.578 -22.923 1.00 20.11 C ATOM 473 CG PRO A 30 26.219 -0.339 -22.680 1.00 44.03 C ATOM 474 CD PRO A 30 26.811 0.009 -24.018 1.00 41.22 C ATOM 0 HA PRO A 30 23.628 -0.001 -24.725 1.00 3.14 H new ATOM 0 HB2 PRO A 30 24.180 -0.378 -22.028 1.00 20.11 H new ATOM 0 HB3 PRO A 30 24.580 -1.614 -23.204 1.00 20.11 H new ATOM 0 HG2 PRO A 30 26.367 0.471 -21.965 1.00 44.03 H new ATOM 0 HG3 PRO A 30 26.696 -1.225 -22.261 1.00 44.03 H new ATOM 0 HD2 PRO A 30 27.632 0.719 -23.922 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.208 -0.872 -24.523 1.00 41.22 H new ATOM 482 N ALA A 31 22.514 1.711 -23.309 1.00 53.34 N ATOM 483 CA ALA A 31 21.846 2.890 -22.773 1.00 43.44 C ATOM 484 C ALA A 31 20.690 2.498 -21.859 1.00 41.51 C ATOM 485 O ALA A 31 19.967 1.540 -22.130 1.00 52.01 O ATOM 486 CB ALA A 31 21.349 3.775 -23.907 1.00 11.05 C ATOM 0 H ALA A 31 21.890 0.934 -23.524 1.00 53.34 H new ATOM 0 HA ALA A 31 22.569 3.450 -22.180 1.00 43.44 H new ATOM 0 HB1 ALA A 31 20.852 4.652 -23.493 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.194 4.092 -24.519 1.00 11.05 H new ATOM 0 HB3 ALA A 31 20.645 3.216 -24.523 1.00 11.05 H new ATOM 492 N LYS A 32 20.522 3.246 -20.773 1.00 42.21 N ATOM 493 CA LYS A 32 19.453 2.978 -19.818 1.00 42.03 C ATOM 494 C LYS A 32 18.340 4.014 -19.941 1.00 53.43 C ATOM 495 O LYS A 32 18.601 5.217 -19.969 1.00 15.15 O ATOM 496 CB LYS A 32 20.006 2.974 -18.392 1.00 10.13 C ATOM 497 CG LYS A 32 19.100 2.278 -17.390 1.00 15.14 C ATOM 498 CD LYS A 32 19.661 2.360 -15.980 1.00 43.25 C ATOM 499 CE LYS A 32 19.695 3.795 -15.476 1.00 41.14 C ATOM 500 NZ LYS A 32 19.822 3.859 -13.993 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.112 4.042 -20.533 1.00 42.21 H new ATOM 0 HA LYS A 32 19.036 1.996 -20.043 1.00 42.03 H new ATOM 0 HB2 LYS A 32 20.980 2.484 -18.390 1.00 10.13 H new ATOM 0 HB3 LYS A 32 20.166 4.003 -18.071 1.00 10.13 H new ATOM 0 HG2 LYS A 32 18.110 2.733 -17.416 1.00 15.14 H new ATOM 0 HG3 LYS A 32 18.978 1.233 -17.674 1.00 15.14 H new ATOM 0 HD2 LYS A 32 19.053 1.752 -15.310 1.00 43.25 H new ATOM 0 HD3 LYS A 32 20.668 1.943 -15.963 1.00 43.25 H new ATOM 0 HE2 LYS A 32 20.532 4.322 -15.935 1.00 41.14 H new ATOM 0 HE3 LYS A 32 18.786 4.310 -15.785 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 19.842 4.853 -13.689 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 19.011 3.379 -13.554 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 20.702 3.390 -13.699 1.00 23.12 H new ATOM 514 N ALA A 33 17.102 3.540 -20.011 1.00 74.42 N ATOM 515 CA ALA A 33 15.950 4.426 -20.128 1.00 62.44 C ATOM 516 C ALA A 33 15.156 4.467 -18.827 1.00 33.43 C ATOM 517 O ALA A 33 14.604 3.455 -18.392 1.00 52.11 O ATOM 518 CB ALA A 33 15.058 3.986 -21.279 1.00 44.12 C ATOM 0 H ALA A 33 16.870 2.547 -19.989 1.00 74.42 H new ATOM 0 HA ALA A 33 16.317 5.432 -20.333 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.202 4.657 -21.353 1.00 44.12 H new ATOM 0 HB2 ALA A 33 15.624 4.015 -22.210 1.00 44.12 H new ATOM 0 HB3 ALA A 33 14.707 2.970 -21.100 1.00 44.12 H new ATOM 524 N VAL A 34 15.100 5.642 -18.208 1.00 63.33 N ATOM 525 CA VAL A 34 14.373 5.815 -16.957 1.00 45.44 C ATOM 526 C VAL A 34 13.039 6.517 -17.189 1.00 54.42 C ATOM 527 O VAL A 34 12.894 7.302 -18.128 1.00 75.20 O ATOM 528 CB VAL A 34 15.196 6.623 -15.936 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.525 6.598 -14.571 1.00 2.34 C ATOM 530 CG2 VAL A 34 16.616 6.084 -15.851 1.00 72.31 C ATOM 0 H VAL A 34 15.550 6.489 -18.554 1.00 63.33 H new ATOM 0 HA VAL A 34 14.190 4.818 -16.557 1.00 45.44 H new ATOM 0 HB VAL A 34 15.245 7.659 -16.272 1.00 12.22 H new ATOM 0 HG11 VAL A 34 15.120 7.174 -13.862 1.00 2.34 H new ATOM 0 HG12 VAL A 34 13.529 7.034 -14.647 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.444 5.568 -14.224 1.00 2.34 H new ATOM 0 HG21 VAL A 34 17.183 6.666 -15.125 1.00 72.31 H new ATOM 0 HG22 VAL A 34 16.591 5.040 -15.539 1.00 72.31 H new ATOM 0 HG23 VAL A 34 17.093 6.159 -16.828 1.00 72.31 H new ATOM 540 N CYS A 35 12.069 6.233 -16.327 1.00 52.54 N ATOM 541 CA CYS A 35 10.747 6.838 -16.438 1.00 31.55 C ATOM 542 C CYS A 35 10.848 8.358 -16.511 1.00 12.13 C ATOM 543 O CYS A 35 11.192 9.015 -15.530 1.00 51.25 O ATOM 544 CB CYS A 35 9.875 6.430 -15.248 1.00 11.41 C ATOM 545 SG CYS A 35 8.281 7.280 -15.175 1.00 13.12 S ATOM 0 H CYS A 35 12.173 5.588 -15.544 1.00 52.54 H new ATOM 0 HA CYS A 35 10.287 6.478 -17.358 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.700 5.355 -15.291 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.422 6.627 -14.326 1.00 11.41 H new ATOM 0 HG CYS A 35 7.616 6.867 -14.137 1.00 13.12 H new ATOM 551 N GLY A 36 10.549 8.910 -17.683 1.00 33.13 N ATOM 552 CA GLY A 36 10.614 10.348 -17.864 1.00 22.01 C ATOM 553 C GLY A 36 11.947 10.802 -18.425 1.00 2.31 C ATOM 554 O GLY A 36 12.315 11.970 -18.300 1.00 12.12 O ATOM 0 H GLY A 36 10.263 8.387 -18.510 1.00 33.13 H new ATOM 0 HA2 GLY A 36 9.815 10.663 -18.535 1.00 22.01 H new ATOM 0 HA3 GLY A 36 10.440 10.840 -16.907 1.00 22.01 H new ATOM 558 N SER A 37 12.673 9.876 -19.042 1.00 14.13 N ATOM 559 CA SER A 37 13.976 10.186 -19.620 1.00 31.10 C ATOM 560 C SER A 37 13.870 10.374 -21.130 1.00 73.20 C ATOM 561 O SER A 37 12.885 9.973 -21.751 1.00 73.03 O ATOM 562 CB SER A 37 14.976 9.073 -19.301 1.00 61.42 C ATOM 563 OG SER A 37 14.726 7.923 -20.089 1.00 54.42 O ATOM 0 H SER A 37 12.382 8.905 -19.155 1.00 14.13 H new ATOM 0 HA SER A 37 14.329 11.119 -19.180 1.00 31.10 H new ATOM 0 HB2 SER A 37 15.990 9.428 -19.482 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.912 8.814 -18.244 1.00 61.42 H new ATOM 0 HG SER A 37 14.048 7.367 -19.651 1.00 54.42 H new ATOM 569 N THR A 38 14.894 10.987 -21.717 1.00 25.44 N ATOM 570 CA THR A 38 14.917 11.229 -23.153 1.00 13.34 C ATOM 571 C THR A 38 16.240 10.782 -23.765 1.00 44.22 C ATOM 572 O THR A 38 17.271 10.763 -23.093 1.00 73.14 O ATOM 573 CB THR A 38 14.693 12.719 -23.476 1.00 44.44 C ATOM 574 OG1 THR A 38 15.879 13.468 -23.184 1.00 11.42 O ATOM 575 CG2 THR A 38 13.526 13.276 -22.674 1.00 11.40 C ATOM 0 H THR A 38 15.718 11.324 -21.219 1.00 25.44 H new ATOM 0 HA THR A 38 14.104 10.645 -23.584 1.00 13.34 H new ATOM 0 HB THR A 38 14.460 12.807 -24.537 1.00 44.44 H new ATOM 0 HG1 THR A 38 15.729 14.413 -23.393 1.00 11.42 H new ATOM 0 HG21 THR A 38 13.386 14.329 -22.918 1.00 11.40 H new ATOM 0 HG22 THR A 38 12.619 12.723 -22.919 1.00 11.40 H new ATOM 0 HG23 THR A 38 13.735 13.175 -21.609 1.00 11.40 H new ATOM 583 N VAL A 39 16.205 10.425 -25.045 1.00 70.42 N ATOM 584 CA VAL A 39 17.401 9.980 -25.748 1.00 33.14 C ATOM 585 C VAL A 39 18.568 10.931 -25.504 1.00 42.12 C ATOM 586 O VAL A 39 19.602 10.536 -24.962 1.00 10.21 O ATOM 587 CB VAL A 39 17.153 9.868 -27.263 1.00 65.42 C ATOM 588 CG1 VAL A 39 16.734 8.454 -27.634 1.00 4.01 C ATOM 589 CG2 VAL A 39 16.105 10.877 -27.707 1.00 35.23 C ATOM 0 H VAL A 39 15.360 10.436 -25.616 1.00 70.42 H new ATOM 0 HA VAL A 39 17.651 8.995 -25.355 1.00 33.14 H new ATOM 0 HB VAL A 39 18.084 10.093 -27.783 1.00 65.42 H new ATOM 0 HG11 VAL A 39 16.563 8.395 -28.709 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.522 7.755 -27.353 1.00 4.01 H new ATOM 0 HG13 VAL A 39 15.816 8.196 -27.106 1.00 4.01 H new ATOM 0 HG21 VAL A 39 15.942 10.784 -28.781 1.00 35.23 H new ATOM 0 HG22 VAL A 39 15.170 10.686 -27.180 1.00 35.23 H new ATOM 0 HG23 VAL A 39 16.451 11.885 -27.479 1.00 35.23 H new ATOM 599 N LEU A 40 18.395 12.185 -25.906 1.00 4.40 N ATOM 600 CA LEU A 40 19.434 13.194 -25.730 1.00 4.13 C ATOM 601 C LEU A 40 19.877 13.271 -24.273 1.00 3.52 C ATOM 602 O LEU A 40 21.048 13.520 -23.982 1.00 65.40 O ATOM 603 CB LEU A 40 18.928 14.561 -26.193 1.00 11.34 C ATOM 604 CG LEU A 40 17.473 14.888 -25.856 1.00 34.30 C ATOM 605 CD1 LEU A 40 17.347 16.323 -25.367 1.00 31.55 C ATOM 606 CD2 LEU A 40 16.579 14.654 -27.065 1.00 22.30 C ATOM 0 H LEU A 40 17.546 12.528 -26.356 1.00 4.40 H new ATOM 0 HA LEU A 40 20.292 12.906 -26.337 1.00 4.13 H new ATOM 0 HB2 LEU A 40 19.563 15.329 -25.753 1.00 11.34 H new ATOM 0 HB3 LEU A 40 19.053 14.625 -27.274 1.00 11.34 H new ATOM 0 HG LEU A 40 17.148 14.223 -25.055 1.00 34.30 H new ATOM 0 HD11 LEU A 40 16.304 16.537 -25.132 1.00 31.55 H new ATOM 0 HD12 LEU A 40 17.955 16.457 -24.473 1.00 31.55 H new ATOM 0 HD13 LEU A 40 17.691 17.004 -26.145 1.00 31.55 H new ATOM 0 HD21 LEU A 40 15.547 14.892 -26.806 1.00 22.30 H new ATOM 0 HD22 LEU A 40 16.904 15.293 -27.887 1.00 22.30 H new ATOM 0 HD23 LEU A 40 16.645 13.609 -27.370 1.00 22.30 H new ATOM 618 N ASP A 41 18.937 13.054 -23.361 1.00 72.45 N ATOM 619 CA ASP A 41 19.231 13.096 -21.933 1.00 42.14 C ATOM 620 C ASP A 41 20.039 11.872 -21.510 1.00 25.23 C ATOM 621 O ASP A 41 20.788 11.919 -20.534 1.00 10.41 O ATOM 622 CB ASP A 41 17.934 13.170 -21.125 1.00 13.44 C ATOM 623 CG ASP A 41 17.356 14.572 -21.088 1.00 24.42 C ATOM 624 OD1 ASP A 41 17.879 15.449 -21.805 1.00 41.20 O ATOM 625 OD2 ASP A 41 16.378 14.789 -20.341 1.00 64.23 O1- ATOM 0 H ASP A 41 17.964 12.847 -23.585 1.00 72.45 H new ATOM 0 HA ASP A 41 19.824 13.989 -21.735 1.00 42.14 H new ATOM 0 HB2 ASP A 41 17.201 12.489 -21.557 1.00 13.44 H new ATOM 0 HB3 ASP A 41 18.124 12.831 -20.107 1.00 13.44 H new ATOM 630 N VAL A 42 19.879 10.779 -22.248 1.00 2.11 N ATOM 631 CA VAL A 42 20.594 9.544 -21.949 1.00 13.25 C ATOM 632 C VAL A 42 22.045 9.624 -22.408 1.00 11.24 C ATOM 633 O VAL A 42 22.959 9.239 -21.679 1.00 54.34 O ATOM 634 CB VAL A 42 19.921 8.331 -22.618 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.682 7.053 -22.297 1.00 3.53 C ATOM 636 CG2 VAL A 42 18.468 8.220 -22.182 1.00 61.21 C ATOM 0 H VAL A 42 19.261 10.723 -23.057 1.00 2.11 H new ATOM 0 HA VAL A 42 20.566 9.415 -20.867 1.00 13.25 H new ATOM 0 HB VAL A 42 19.942 8.476 -23.698 1.00 43.20 H new ATOM 0 HG11 VAL A 42 20.192 6.207 -22.778 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.705 7.137 -22.664 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.695 6.899 -21.218 1.00 3.53 H new ATOM 0 HG21 VAL A 42 18.008 7.357 -22.664 1.00 61.21 H new ATOM 0 HG22 VAL A 42 18.421 8.098 -21.100 1.00 61.21 H new ATOM 0 HG23 VAL A 42 17.932 9.125 -22.469 1.00 61.21 H new ATOM 646 N ALA A 43 22.250 10.126 -23.620 1.00 21.42 N ATOM 647 CA ALA A 43 23.591 10.259 -24.177 1.00 20.42 C ATOM 648 C ALA A 43 24.516 10.990 -23.209 1.00 42.52 C ATOM 649 O ALA A 43 25.724 10.752 -23.190 1.00 14.32 O ATOM 650 CB ALA A 43 23.540 10.988 -25.511 1.00 62.22 C ATOM 0 H ALA A 43 21.504 10.448 -24.237 1.00 21.42 H new ATOM 0 HA ALA A 43 23.991 9.258 -24.338 1.00 20.42 H new ATOM 0 HB1 ALA A 43 24.548 11.080 -25.914 1.00 62.22 H new ATOM 0 HB2 ALA A 43 22.920 10.426 -26.209 1.00 62.22 H new ATOM 0 HB3 ALA A 43 23.115 11.981 -25.367 1.00 62.22 H new ATOM 656 N HIS A 44 23.941 11.881 -22.407 1.00 12.51 N ATOM 657 CA HIS A 44 24.715 12.646 -21.435 1.00 50.24 C ATOM 658 C HIS A 44 25.171 11.759 -20.282 1.00 54.31 C ATOM 659 O HIS A 44 26.274 11.918 -19.760 1.00 12.45 O ATOM 660 CB HIS A 44 23.888 13.815 -20.900 1.00 75.20 C ATOM 661 CG HIS A 44 24.649 14.714 -19.975 1.00 61.53 C ATOM 662 ND1 HIS A 44 24.255 14.968 -18.678 1.00 44.12 N ATOM 663 CD2 HIS A 44 25.790 15.418 -20.165 1.00 13.23 C ATOM 664 CE1 HIS A 44 25.118 15.792 -18.111 1.00 32.52 C ATOM 665 NE2 HIS A 44 26.059 16.080 -18.993 1.00 53.52 N ATOM 0 H HIS A 44 22.943 12.091 -22.411 1.00 12.51 H new ATOM 0 HA HIS A 44 25.599 13.037 -21.939 1.00 50.24 H new ATOM 0 HB2 HIS A 44 23.518 14.402 -21.741 1.00 75.20 H new ATOM 0 HB3 HIS A 44 23.016 13.423 -20.376 1.00 75.20 H new ATOM 0 HD2 HIS A 44 26.379 15.452 -21.070 1.00 13.23 H new ATOM 0 HE1 HIS A 44 25.064 16.166 -17.099 1.00 32.52 H new ATOM 0 HE2 HIS A 44 26.856 16.695 -18.829 1.00 53.52 H new ATOM 673 N LYS A 45 24.313 10.823 -19.888 1.00 13.22 N ATOM 674 CA LYS A 45 24.625 9.909 -18.796 1.00 44.10 C ATOM 675 C LYS A 45 25.538 8.783 -19.273 1.00 71.53 C ATOM 676 O LYS A 45 26.518 8.444 -18.611 1.00 73.03 O ATOM 677 CB LYS A 45 23.339 9.323 -18.209 1.00 74.53 C ATOM 678 CG LYS A 45 22.253 10.358 -17.971 1.00 40.45 C ATOM 679 CD LYS A 45 22.669 11.371 -16.919 1.00 63.15 C ATOM 680 CE LYS A 45 22.454 10.834 -15.512 1.00 32.12 C ATOM 681 NZ LYS A 45 23.024 11.743 -14.479 1.00 61.40 N1+ ATOM 0 H LYS A 45 23.396 10.678 -20.310 1.00 13.22 H new ATOM 0 HA LYS A 45 25.146 10.473 -18.022 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.958 8.557 -18.884 1.00 74.53 H new ATOM 0 HB3 LYS A 45 23.572 8.829 -17.266 1.00 74.53 H new ATOM 0 HG2 LYS A 45 22.029 10.873 -18.905 1.00 40.45 H new ATOM 0 HG3 LYS A 45 21.337 9.859 -17.655 1.00 40.45 H new ATOM 0 HD2 LYS A 45 23.720 11.628 -17.055 1.00 63.15 H new ATOM 0 HD3 LYS A 45 22.097 12.289 -17.050 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.387 10.703 -15.332 1.00 32.12 H new ATOM 0 HE3 LYS A 45 22.915 9.850 -15.424 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 22.857 11.342 -13.534 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 24.047 11.848 -14.635 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 22.566 12.675 -14.546 1.00 61.40 H new ATOM 695 N ASN A 46 25.210 8.211 -20.426 1.00 44.51 N ATOM 696 CA ASN A 46 26.001 7.124 -20.992 1.00 43.23 C ATOM 697 C ASN A 46 27.332 7.642 -21.528 1.00 15.11 C ATOM 698 O ASN A 46 28.311 6.901 -21.612 1.00 20.00 O ATOM 699 CB ASN A 46 25.224 6.428 -22.111 1.00 55.02 C ATOM 700 CG ASN A 46 25.946 5.206 -22.643 1.00 74.42 C ATOM 701 OD1 ASN A 46 26.115 5.048 -23.852 1.00 22.42 O ATOM 702 ND2 ASN A 46 26.374 4.333 -21.739 1.00 50.43 N ATOM 0 H ASN A 46 24.402 8.482 -20.987 1.00 44.51 H new ATOM 0 HA ASN A 46 26.204 6.405 -20.199 1.00 43.23 H new ATOM 0 HB2 ASN A 46 24.243 6.133 -21.739 1.00 55.02 H new ATOM 0 HB3 ASN A 46 25.058 7.132 -22.926 1.00 55.02 H new ATOM 0 HD21 ASN A 46 26.865 3.490 -22.037 1.00 50.43 H new ATOM 0 HD22 ASN A 46 26.212 4.505 -20.747 1.00 50.43 H new ATOM 709 N GLY A 47 27.362 8.921 -21.888 1.00 71.54 N ATOM 710 CA GLY A 47 28.577 9.518 -22.410 1.00 65.12 C ATOM 711 C GLY A 47 28.543 9.677 -23.917 1.00 62.25 C ATOM 712 O GLY A 47 29.388 10.361 -24.496 1.00 22.30 O ATOM 0 H GLY A 47 26.565 9.555 -21.827 1.00 71.54 H new ATOM 0 HA2 GLY A 47 28.726 10.494 -21.948 1.00 65.12 H new ATOM 0 HA3 GLY A 47 29.431 8.900 -22.132 1.00 65.12 H new ATOM 716 N VAL A 48 27.566 9.043 -24.556 1.00 31.22 N ATOM 717 CA VAL A 48 27.425 9.117 -26.005 1.00 41.02 C ATOM 718 C VAL A 48 27.403 10.565 -26.482 1.00 3.44 C ATOM 719 O VAL A 48 26.410 11.271 -26.313 1.00 22.32 O ATOM 720 CB VAL A 48 26.141 8.412 -26.482 1.00 34.34 C ATOM 721 CG1 VAL A 48 25.999 8.524 -27.993 1.00 23.24 C ATOM 722 CG2 VAL A 48 26.139 6.956 -26.045 1.00 32.44 C ATOM 0 H VAL A 48 26.859 8.472 -24.093 1.00 31.22 H new ATOM 0 HA VAL A 48 28.289 8.609 -26.433 1.00 41.02 H new ATOM 0 HB VAL A 48 25.285 8.906 -26.023 1.00 34.34 H new ATOM 0 HG11 VAL A 48 25.086 8.020 -28.311 1.00 23.24 H new ATOM 0 HG12 VAL A 48 25.951 9.575 -28.277 1.00 23.24 H new ATOM 0 HG13 VAL A 48 26.858 8.057 -28.475 1.00 23.24 H new ATOM 0 HG21 VAL A 48 25.225 6.474 -26.391 1.00 32.44 H new ATOM 0 HG22 VAL A 48 27.002 6.446 -26.473 1.00 32.44 H new ATOM 0 HG23 VAL A 48 26.189 6.902 -24.957 1.00 32.44 H new ATOM 732 N ASP A 49 28.507 11.002 -27.080 1.00 40.14 N ATOM 733 CA ASP A 49 28.615 12.366 -27.583 1.00 14.22 C ATOM 734 C ASP A 49 27.956 12.493 -28.953 1.00 34.02 C ATOM 735 O ASP A 49 28.630 12.463 -29.984 1.00 75.21 O ATOM 736 CB ASP A 49 30.083 12.786 -27.669 1.00 52.55 C ATOM 737 CG ASP A 49 30.250 14.288 -27.787 1.00 23.12 C ATOM 738 OD1 ASP A 49 31.368 14.783 -27.535 1.00 1.55 O ATOM 739 OD2 ASP A 49 29.262 14.969 -28.132 1.00 61.21 O1- ATOM 0 H ASP A 49 29.339 10.431 -27.228 1.00 40.14 H new ATOM 0 HA ASP A 49 28.097 13.026 -26.887 1.00 14.22 H new ATOM 0 HB2 ASP A 49 30.611 12.433 -26.783 1.00 52.55 H new ATOM 0 HB3 ASP A 49 30.546 12.303 -28.530 1.00 52.55 H new ATOM 744 N LEU A 50 26.635 12.635 -28.958 1.00 12.10 N ATOM 745 CA LEU A 50 25.884 12.765 -30.200 1.00 14.20 C ATOM 746 C LEU A 50 24.848 13.882 -30.096 1.00 31.24 C ATOM 747 O LEU A 50 23.818 13.724 -29.441 1.00 24.23 O ATOM 748 CB LEU A 50 25.193 11.445 -30.544 1.00 11.15 C ATOM 749 CG LEU A 50 25.854 10.607 -31.640 1.00 12.15 C ATOM 750 CD1 LEU A 50 25.903 11.382 -32.948 1.00 70.43 C ATOM 751 CD2 LEU A 50 27.254 10.184 -31.217 1.00 5.33 C ATOM 0 H LEU A 50 26.062 12.663 -28.114 1.00 12.10 H new ATOM 0 HA LEU A 50 26.586 13.017 -30.994 1.00 14.20 H new ATOM 0 HB2 LEU A 50 25.135 10.841 -29.638 1.00 11.15 H new ATOM 0 HB3 LEU A 50 24.169 11.662 -30.848 1.00 11.15 H new ATOM 0 HG LEU A 50 25.255 9.709 -31.795 1.00 12.15 H new ATOM 0 HD11 LEU A 50 26.376 10.770 -33.716 1.00 70.43 H new ATOM 0 HD12 LEU A 50 24.889 11.635 -33.259 1.00 70.43 H new ATOM 0 HD13 LEU A 50 26.478 12.297 -32.807 1.00 70.43 H new ATOM 0 HD21 LEU A 50 27.709 9.589 -32.009 1.00 5.33 H new ATOM 0 HD22 LEU A 50 27.862 11.070 -31.034 1.00 5.33 H new ATOM 0 HD23 LEU A 50 27.195 9.590 -30.305 1.00 5.33 H new ATOM 763 N GLU A 51 25.129 15.006 -30.747 1.00 42.03 N ATOM 764 CA GLU A 51 24.221 16.147 -30.728 1.00 10.23 C ATOM 765 C GLU A 51 22.829 15.741 -31.206 1.00 13.54 C ATOM 766 O GLU A 51 22.680 15.110 -32.251 1.00 53.10 O ATOM 767 CB GLU A 51 24.765 17.275 -31.606 1.00 31.11 C ATOM 768 CG GLU A 51 25.652 18.255 -30.857 1.00 52.24 C ATOM 769 CD GLU A 51 25.580 19.659 -31.425 1.00 43.15 C ATOM 770 OE1 GLU A 51 24.491 20.055 -31.891 1.00 1.52 O ATOM 771 OE2 GLU A 51 26.612 20.362 -31.403 1.00 52.23 O1- ATOM 0 H GLU A 51 25.978 15.151 -31.294 1.00 42.03 H new ATOM 0 HA GLU A 51 24.145 16.502 -29.700 1.00 10.23 H new ATOM 0 HB2 GLU A 51 25.332 16.842 -32.430 1.00 31.11 H new ATOM 0 HB3 GLU A 51 23.928 17.818 -32.045 1.00 31.11 H new ATOM 0 HG2 GLU A 51 25.358 18.276 -29.808 1.00 52.24 H new ATOM 0 HG3 GLU A 51 26.684 17.905 -30.892 1.00 52.24 H new ATOM 778 N GLY A 52 21.814 16.110 -30.430 1.00 12.13 N ATOM 779 CA GLY A 52 20.447 15.776 -30.790 1.00 24.25 C ATOM 780 C GLY A 52 19.428 16.552 -29.978 1.00 2.30 C ATOM 781 O GLY A 52 18.302 16.096 -29.786 1.00 4.31 O ATOM 0 H GLY A 52 21.913 16.633 -29.560 1.00 12.13 H new ATOM 0 HA2 GLY A 52 20.294 15.979 -31.850 1.00 24.25 H new ATOM 0 HA3 GLY A 52 20.287 14.708 -30.644 1.00 24.25 H new ATOM 785 N ALA A 53 19.826 17.726 -29.499 1.00 52.12 N ATOM 786 CA ALA A 53 18.939 18.565 -28.704 1.00 33.42 C ATOM 787 C ALA A 53 17.913 19.268 -29.584 1.00 10.05 C ATOM 788 O ALA A 53 18.112 19.418 -30.790 1.00 55.30 O ATOM 789 CB ALA A 53 19.746 19.585 -27.914 1.00 50.15 C ATOM 0 H ALA A 53 20.756 18.117 -29.648 1.00 52.12 H new ATOM 0 HA ALA A 53 18.401 17.923 -28.006 1.00 33.42 H new ATOM 0 HB1 ALA A 53 19.071 20.205 -27.324 1.00 50.15 H new ATOM 0 HB2 ALA A 53 20.436 19.066 -27.249 1.00 50.15 H new ATOM 0 HB3 ALA A 53 20.310 20.215 -28.602 1.00 50.15 H new ATOM 795 N CYS A 54 16.812 19.697 -28.975 1.00 34.24 N ATOM 796 CA CYS A 54 15.752 20.384 -29.704 1.00 31.12 C ATOM 797 C CYS A 54 15.929 21.897 -29.624 1.00 14.45 C ATOM 798 O CYS A 54 15.031 22.615 -29.187 1.00 72.33 O ATOM 799 CB CYS A 54 14.383 19.990 -29.145 1.00 13.14 C ATOM 800 SG CYS A 54 13.024 20.116 -30.352 1.00 52.32 S ATOM 0 H CYS A 54 16.631 19.581 -27.978 1.00 34.24 H new ATOM 0 HA CYS A 54 15.811 20.084 -30.750 1.00 31.12 H new ATOM 0 HB2 CYS A 54 14.434 18.965 -28.777 1.00 13.14 H new ATOM 0 HB3 CYS A 54 14.155 20.626 -28.289 1.00 13.14 H new ATOM 805 N GLU A 55 17.094 22.374 -30.052 1.00 44.31 N ATOM 806 CA GLU A 55 17.389 23.802 -30.028 1.00 23.53 C ATOM 807 C GLU A 55 18.742 24.089 -30.675 1.00 64.25 C ATOM 808 O GLU A 55 19.691 23.321 -30.521 1.00 31.55 O ATOM 809 CB GLU A 55 17.378 24.324 -28.590 1.00 10.53 C ATOM 810 CG GLU A 55 18.267 23.531 -27.648 1.00 5.40 C ATOM 811 CD GLU A 55 18.301 24.114 -26.248 1.00 64.45 C ATOM 812 OE1 GLU A 55 17.773 23.462 -25.322 1.00 45.22 O ATOM 813 OE2 GLU A 55 18.853 25.221 -26.079 1.00 62.34 O1- ATOM 0 H GLU A 55 17.848 21.793 -30.419 1.00 44.31 H new ATOM 0 HA GLU A 55 16.616 24.316 -30.599 1.00 23.53 H new ATOM 0 HB2 GLU A 55 17.699 25.366 -28.588 1.00 10.53 H new ATOM 0 HB3 GLU A 55 16.355 24.305 -28.213 1.00 10.53 H new ATOM 0 HG2 GLU A 55 17.912 22.501 -27.600 1.00 5.40 H new ATOM 0 HG3 GLU A 55 19.280 23.501 -28.050 1.00 5.40 H new ATOM 820 N GLY A 56 18.821 25.201 -31.399 1.00 75.32 N ATOM 821 CA GLY A 56 20.060 25.570 -32.058 1.00 1.23 C ATOM 822 C GLY A 56 19.827 26.334 -33.347 1.00 63.33 C ATOM 823 O GLY A 56 19.627 27.548 -33.328 1.00 13.22 O ATOM 0 H GLY A 56 18.049 25.853 -31.541 1.00 75.32 H new ATOM 0 HA2 GLY A 56 20.660 26.179 -31.382 1.00 1.23 H new ATOM 0 HA3 GLY A 56 20.636 24.670 -32.272 1.00 1.23 H new ATOM 827 N ASN A 57 19.852 25.622 -34.468 1.00 3.24 N ATOM 828 CA ASN A 57 19.643 26.241 -35.773 1.00 41.34 C ATOM 829 C ASN A 57 18.268 26.898 -35.848 1.00 5.42 C ATOM 830 O ASN A 57 17.501 26.871 -34.885 1.00 72.25 O ATOM 831 CB ASN A 57 19.786 25.200 -36.883 1.00 73.33 C ATOM 832 CG ASN A 57 20.366 25.787 -38.156 1.00 30.11 C ATOM 833 OD1 ASN A 57 20.449 27.005 -38.308 1.00 73.05 O ATOM 834 ND2 ASN A 57 20.771 24.920 -39.077 1.00 42.23 N ATOM 0 H ASN A 57 20.015 24.616 -34.500 1.00 3.24 H new ATOM 0 HA ASN A 57 20.402 27.012 -35.909 1.00 41.34 H new ATOM 0 HB2 ASN A 57 20.426 24.389 -36.536 1.00 73.33 H new ATOM 0 HB3 ASN A 57 18.810 24.766 -37.098 1.00 73.33 H new ATOM 0 HD21 ASN A 57 21.170 25.256 -39.953 1.00 42.23 H new ATOM 0 HD22 ASN A 57 20.683 23.918 -38.908 1.00 42.23 H new ATOM 841 N LEU A 58 17.963 27.486 -36.999 1.00 4.42 N ATOM 842 CA LEU A 58 16.679 28.150 -37.203 1.00 41.34 C ATOM 843 C LEU A 58 15.524 27.220 -36.850 1.00 13.11 C ATOM 844 O LEU A 58 14.459 27.669 -36.429 1.00 5.40 O ATOM 845 CB LEU A 58 16.549 28.617 -38.654 1.00 23.44 C ATOM 846 CG LEU A 58 16.790 27.553 -39.726 1.00 3.22 C ATOM 847 CD1 LEU A 58 15.494 26.832 -40.063 1.00 33.31 C ATOM 848 CD2 LEU A 58 17.395 28.180 -40.973 1.00 72.14 C ATOM 0 H LEU A 58 18.587 27.517 -37.806 1.00 4.42 H new ATOM 0 HA LEU A 58 16.637 29.017 -36.544 1.00 41.34 H new ATOM 0 HB2 LEU A 58 15.548 29.026 -38.795 1.00 23.44 H new ATOM 0 HB3 LEU A 58 17.253 29.433 -38.816 1.00 23.44 H new ATOM 0 HG LEU A 58 17.496 26.822 -39.333 1.00 3.22 H new ATOM 0 HD11 LEU A 58 15.685 26.079 -40.827 1.00 33.31 H new ATOM 0 HD12 LEU A 58 15.103 26.349 -39.167 1.00 33.31 H new ATOM 0 HD13 LEU A 58 14.764 27.551 -40.436 1.00 33.31 H new ATOM 0 HD21 LEU A 58 17.560 27.408 -41.725 1.00 72.14 H new ATOM 0 HD22 LEU A 58 16.714 28.933 -41.369 1.00 72.14 H new ATOM 0 HD23 LEU A 58 18.346 28.649 -40.720 1.00 72.14 H new ATOM 860 N ALA A 59 15.742 25.920 -37.023 1.00 41.33 N ATOM 861 CA ALA A 59 14.721 24.926 -36.718 1.00 2.32 C ATOM 862 C ALA A 59 15.349 23.576 -36.391 1.00 51.33 C ATOM 863 O ALA A 59 16.365 23.195 -36.973 1.00 34.41 O ATOM 864 CB ALA A 59 13.752 24.791 -37.884 1.00 14.22 C ATOM 0 H ALA A 59 16.618 25.531 -37.373 1.00 41.33 H new ATOM 0 HA ALA A 59 14.171 25.263 -35.839 1.00 2.32 H new ATOM 0 HB1 ALA A 59 12.994 24.045 -37.643 1.00 14.22 H new ATOM 0 HB2 ALA A 59 13.270 25.751 -38.070 1.00 14.22 H new ATOM 0 HB3 ALA A 59 14.297 24.480 -38.776 1.00 14.22 H new ATOM 870 N CYS A 60 14.739 22.856 -35.455 1.00 2.12 N ATOM 871 CA CYS A 60 15.239 21.548 -35.049 1.00 54.43 C ATOM 872 C CYS A 60 15.155 20.551 -36.201 1.00 5.00 C ATOM 873 O CYS A 60 14.107 19.952 -36.442 1.00 74.54 O ATOM 874 CB CYS A 60 14.445 21.025 -33.849 1.00 24.54 C ATOM 875 SG CYS A 60 14.937 19.360 -33.301 1.00 11.23 S ATOM 0 H CYS A 60 13.897 23.157 -34.963 1.00 2.12 H new ATOM 0 HA CYS A 60 16.285 21.660 -34.764 1.00 54.43 H new ATOM 0 HB2 CYS A 60 14.564 21.720 -33.017 1.00 24.54 H new ATOM 0 HB3 CYS A 60 13.386 21.013 -34.105 1.00 24.54 H new ATOM 880 N SER A 61 16.267 20.379 -36.910 1.00 41.10 N ATOM 881 CA SER A 61 16.318 19.459 -38.039 1.00 5.01 C ATOM 882 C SER A 61 16.950 18.132 -37.630 1.00 10.13 C ATOM 883 O SER A 61 17.537 17.429 -38.453 1.00 62.51 O ATOM 884 CB SER A 61 17.107 20.078 -39.193 1.00 20.22 C ATOM 885 OG SER A 61 18.384 20.518 -38.760 1.00 65.32 O ATOM 0 H SER A 61 17.144 20.865 -36.722 1.00 41.10 H new ATOM 0 HA SER A 61 15.296 19.269 -38.368 1.00 5.01 H new ATOM 0 HB2 SER A 61 17.223 19.346 -39.992 1.00 20.22 H new ATOM 0 HB3 SER A 61 16.551 20.918 -39.608 1.00 20.22 H new ATOM 0 HG SER A 61 18.869 20.908 -39.517 1.00 65.32 H new ATOM 891 N THR A 62 16.825 17.793 -36.350 1.00 5.34 N ATOM 892 CA THR A 62 17.384 16.553 -35.829 1.00 25.42 C ATOM 893 C THR A 62 16.288 15.635 -35.301 1.00 13.55 C ATOM 894 O THR A 62 16.534 14.785 -34.444 1.00 62.32 O ATOM 895 CB THR A 62 18.399 16.823 -34.701 1.00 15.43 C ATOM 896 OG1 THR A 62 17.895 17.835 -33.822 1.00 10.45 O ATOM 897 CG2 THR A 62 19.739 17.261 -35.272 1.00 33.53 C ATOM 0 H THR A 62 16.341 18.361 -35.655 1.00 5.34 H new ATOM 0 HA THR A 62 17.896 16.065 -36.658 1.00 25.42 H new ATOM 0 HB THR A 62 18.545 15.898 -34.144 1.00 15.43 H new ATOM 0 HG1 THR A 62 18.544 18.000 -33.107 1.00 10.45 H new ATOM 0 HG21 THR A 62 20.439 17.446 -34.457 1.00 33.53 H new ATOM 0 HG22 THR A 62 20.133 16.477 -35.918 1.00 33.53 H new ATOM 0 HG23 THR A 62 19.607 18.175 -35.851 1.00 33.53 H new ATOM 905 N CYS A 63 15.077 15.810 -35.818 1.00 12.42 N ATOM 906 CA CYS A 63 13.941 14.997 -35.400 1.00 3.52 C ATOM 907 C CYS A 63 13.960 13.637 -36.093 1.00 2.45 C ATOM 908 O CYS A 63 13.417 12.659 -35.580 1.00 4.13 O ATOM 909 CB CYS A 63 12.628 15.720 -35.707 1.00 25.53 C ATOM 910 SG CYS A 63 11.343 15.498 -34.435 1.00 22.10 S ATOM 0 H CYS A 63 14.857 16.508 -36.528 1.00 12.42 H new ATOM 0 HA CYS A 63 14.017 14.838 -34.324 1.00 3.52 H new ATOM 0 HB2 CYS A 63 12.830 16.785 -35.822 1.00 25.53 H new ATOM 0 HB3 CYS A 63 12.244 15.363 -36.663 1.00 25.53 H new ATOM 915 N HIS A 64 14.589 13.585 -37.263 1.00 63.44 N ATOM 916 CA HIS A 64 14.681 12.346 -38.028 1.00 3.42 C ATOM 917 C HIS A 64 15.861 11.503 -37.557 1.00 30.22 C ATOM 918 O HIS A 64 17.019 11.893 -37.717 1.00 61.33 O ATOM 919 CB HIS A 64 14.819 12.652 -39.519 1.00 52.43 C ATOM 920 CG HIS A 64 13.759 13.571 -40.043 1.00 13.30 C ATOM 921 ND1 HIS A 64 13.929 14.352 -41.167 1.00 62.35 N ATOM 922 CD2 HIS A 64 12.510 13.830 -39.592 1.00 65.44 C ATOM 923 CE1 HIS A 64 12.830 15.053 -41.383 1.00 13.15 C ATOM 924 NE2 HIS A 64 11.954 14.755 -40.442 1.00 23.12 N ATOM 0 H HIS A 64 15.043 14.386 -37.702 1.00 63.44 H new ATOM 0 HA HIS A 64 13.765 11.778 -37.865 1.00 3.42 H new ATOM 0 HB2 HIS A 64 15.797 13.098 -39.701 1.00 52.43 H new ATOM 0 HB3 HIS A 64 14.786 11.717 -40.078 1.00 52.43 H new ATOM 0 HD2 HIS A 64 12.038 13.391 -38.725 1.00 65.44 H new ATOM 0 HE1 HIS A 64 12.675 15.751 -42.192 1.00 13.15 H new ATOM 0 HE2 HIS A 64 11.016 15.148 -40.359 1.00 23.12 H new ATOM 932 N VAL A 65 15.561 10.346 -36.975 1.00 61.11 N ATOM 933 CA VAL A 65 16.599 9.448 -36.481 1.00 32.34 C ATOM 934 C VAL A 65 16.402 8.034 -37.018 1.00 22.50 C ATOM 935 O VAL A 65 15.295 7.652 -37.400 1.00 34.33 O ATOM 936 CB VAL A 65 16.615 9.402 -34.942 1.00 11.13 C ATOM 937 CG1 VAL A 65 15.391 8.671 -34.415 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.894 8.746 -34.443 1.00 23.01 C ATOM 0 H VAL A 65 14.609 10.009 -36.834 1.00 61.11 H new ATOM 0 HA VAL A 65 17.552 9.840 -36.836 1.00 32.34 H new ATOM 0 HB VAL A 65 16.586 10.425 -34.566 1.00 11.13 H new ATOM 0 HG11 VAL A 65 15.421 8.649 -33.326 1.00 72.25 H new ATOM 0 HG12 VAL A 65 14.489 9.188 -34.743 1.00 72.25 H new ATOM 0 HG13 VAL A 65 15.384 7.651 -34.798 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.889 8.722 -33.353 1.00 23.01 H new ATOM 0 HG22 VAL A 65 17.955 7.728 -34.829 1.00 23.01 H new ATOM 0 HG23 VAL A 65 18.755 9.318 -34.789 1.00 23.01 H new ATOM 948 N ILE A 66 17.482 7.261 -37.043 1.00 21.12 N ATOM 949 CA ILE A 66 17.429 5.888 -37.532 1.00 32.41 C ATOM 950 C ILE A 66 17.108 4.916 -36.402 1.00 54.10 C ATOM 951 O ILE A 66 17.640 5.032 -35.298 1.00 14.31 O ATOM 952 CB ILE A 66 18.757 5.473 -38.191 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.042 6.349 -39.412 1.00 41.34 C ATOM 954 CG2 ILE A 66 18.716 4.004 -38.584 1.00 64.43 C ATOM 955 CD1 ILE A 66 19.845 7.591 -39.092 1.00 62.21 C ATOM 0 H ILE A 66 18.405 7.562 -36.730 1.00 21.12 H new ATOM 0 HA ILE A 66 16.636 5.848 -38.279 1.00 32.41 H new ATOM 0 HB ILE A 66 19.563 5.614 -37.471 1.00 13.50 H new ATOM 0 HG12 ILE A 66 19.580 5.759 -40.154 1.00 41.34 H new ATOM 0 HG13 ILE A 66 18.096 6.645 -39.865 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.662 3.725 -39.049 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.555 3.394 -37.695 1.00 64.43 H new ATOM 0 HG23 ILE A 66 17.902 3.839 -39.290 1.00 64.43 H new ATOM 0 HD11 ILE A 66 20.009 8.164 -40.005 1.00 62.21 H new ATOM 0 HD12 ILE A 66 19.299 8.202 -38.373 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.806 7.303 -38.667 1.00 62.21 H new ATOM 967 N LEU A 67 16.235 3.955 -36.687 1.00 62.31 N ATOM 968 CA LEU A 67 15.843 2.959 -35.695 1.00 64.04 C ATOM 969 C LEU A 67 16.019 1.547 -36.244 1.00 12.11 C ATOM 970 O LEU A 67 16.050 1.342 -37.457 1.00 61.41 O ATOM 971 CB LEU A 67 14.390 3.177 -35.271 1.00 53.02 C ATOM 972 CG LEU A 67 14.075 2.920 -33.798 1.00 54.25 C ATOM 973 CD1 LEU A 67 14.904 3.832 -32.907 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.590 3.114 -33.527 1.00 10.33 C ATOM 0 H LEU A 67 15.786 3.845 -37.596 1.00 62.31 H new ATOM 0 HA LEU A 67 16.489 3.074 -34.825 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.114 4.205 -35.507 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.755 2.530 -35.876 1.00 53.02 H new ATOM 0 HG LEU A 67 14.334 1.887 -33.567 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.666 3.634 -31.862 1.00 12.14 H new ATOM 0 HD12 LEU A 67 15.964 3.644 -33.079 1.00 12.14 H new ATOM 0 HD13 LEU A 67 14.678 4.872 -33.140 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.385 2.927 -32.473 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.305 4.136 -33.776 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.015 2.418 -34.138 1.00 10.33 H new ATOM 986 N GLU A 68 16.131 0.577 -35.342 1.00 71.02 N ATOM 987 CA GLU A 68 16.302 -0.817 -35.737 1.00 2.24 C ATOM 988 C GLU A 68 15.296 -1.203 -36.817 1.00 45.14 C ATOM 989 O GLU A 68 14.145 -0.768 -36.790 1.00 70.41 O ATOM 990 CB GLU A 68 16.145 -1.737 -34.524 1.00 2.12 C ATOM 991 CG GLU A 68 17.402 -2.520 -34.188 1.00 61.11 C ATOM 992 CD GLU A 68 17.626 -3.693 -35.122 1.00 60.41 C ATOM 993 OE1 GLU A 68 17.387 -4.843 -34.696 1.00 23.25 O ATOM 994 OE2 GLU A 68 18.040 -3.462 -36.278 1.00 54.52 O1- ATOM 0 H GLU A 68 16.106 0.730 -34.334 1.00 71.02 H new ATOM 0 HA GLU A 68 17.307 -0.933 -36.143 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.858 -1.139 -33.659 1.00 2.12 H new ATOM 0 HB3 GLU A 68 15.331 -2.437 -34.712 1.00 2.12 H new ATOM 0 HG2 GLU A 68 18.264 -1.854 -34.234 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.335 -2.884 -33.163 1.00 61.11 H new ATOM 1001 N GLU A 69 15.739 -2.023 -37.765 1.00 22.44 N ATOM 1002 CA GLU A 69 14.877 -2.468 -38.854 1.00 73.04 C ATOM 1003 C GLU A 69 13.648 -3.194 -38.313 1.00 43.43 C ATOM 1004 O GLU A 69 12.507 -2.796 -38.553 1.00 23.14 O ATOM 1005 CB GLU A 69 15.649 -3.386 -39.802 1.00 71.35 C ATOM 1006 CG GLU A 69 15.729 -2.863 -41.226 1.00 42.54 C ATOM 1007 CD GLU A 69 16.646 -3.694 -42.104 1.00 13.13 C ATOM 1008 OE1 GLU A 69 16.292 -4.855 -42.398 1.00 54.15 O ATOM 1009 OE2 GLU A 69 17.717 -3.184 -42.493 1.00 42.34 O1- ATOM 0 H GLU A 69 16.689 -2.392 -37.801 1.00 22.44 H new ATOM 0 HA GLU A 69 14.545 -1.587 -39.404 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.660 -3.524 -39.417 1.00 71.35 H new ATOM 0 HB3 GLU A 69 15.174 -4.367 -39.811 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.730 -2.850 -41.661 1.00 42.54 H new ATOM 0 HG3 GLU A 69 16.083 -1.832 -41.211 1.00 42.54 H new ATOM 1016 N PRO A 70 13.885 -4.282 -37.568 1.00 54.22 N ATOM 1017 CA PRO A 70 12.810 -5.087 -36.978 1.00 20.10 C ATOM 1018 C PRO A 70 12.088 -4.355 -35.853 1.00 1.22 C ATOM 1019 O PRO A 70 10.858 -4.313 -35.815 1.00 33.25 O ATOM 1020 CB PRO A 70 13.545 -6.314 -36.432 1.00 54.11 C ATOM 1021 CG PRO A 70 14.936 -5.843 -36.184 1.00 53.54 C ATOM 1022 CD PRO A 70 15.219 -4.813 -37.242 1.00 23.21 C ATOM 0 HA PRO A 70 12.034 -5.326 -37.705 1.00 20.10 H new ATOM 0 HB2 PRO A 70 13.081 -6.678 -35.515 1.00 54.11 H new ATOM 0 HB3 PRO A 70 13.527 -7.137 -37.147 1.00 54.11 H new ATOM 0 HG2 PRO A 70 15.031 -5.414 -35.186 1.00 53.54 H new ATOM 0 HG3 PRO A 70 15.644 -6.669 -36.244 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.884 -4.031 -36.874 1.00 23.21 H new ATOM 0 HD3 PRO A 70 15.700 -5.255 -38.115 1.00 23.21 H new ATOM 1030 N LEU A 71 12.860 -3.777 -34.938 1.00 73.21 N ATOM 1031 CA LEU A 71 12.292 -3.043 -33.812 1.00 71.13 C ATOM 1032 C LEU A 71 11.295 -1.994 -34.292 1.00 14.24 C ATOM 1033 O LEU A 71 10.179 -1.903 -33.779 1.00 22.31 O ATOM 1034 CB LEU A 71 13.404 -2.375 -33.002 1.00 11.33 C ATOM 1035 CG LEU A 71 13.120 -2.173 -31.513 1.00 51.51 C ATOM 1036 CD1 LEU A 71 11.935 -1.240 -31.317 1.00 70.15 C ATOM 1037 CD2 LEU A 71 12.867 -3.509 -30.831 1.00 52.41 C ATOM 0 H LEU A 71 13.880 -3.802 -34.954 1.00 73.21 H new ATOM 0 HA LEU A 71 11.764 -3.753 -33.176 1.00 71.13 H new ATOM 0 HB2 LEU A 71 14.309 -2.975 -33.101 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.616 -1.403 -33.446 1.00 11.33 H new ATOM 0 HG LEU A 71 13.997 -1.715 -31.055 1.00 51.51 H new ATOM 0 HD11 LEU A 71 11.748 -1.108 -30.251 1.00 70.15 H new ATOM 0 HD12 LEU A 71 12.155 -0.273 -31.769 1.00 70.15 H new ATOM 0 HD13 LEU A 71 11.052 -1.669 -31.790 1.00 70.15 H new ATOM 0 HD21 LEU A 71 12.667 -3.345 -29.772 1.00 52.41 H new ATOM 0 HD22 LEU A 71 12.007 -3.996 -31.292 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.745 -4.145 -30.940 1.00 52.41 H new ATOM 1049 N TYR A 72 11.703 -1.205 -35.278 1.00 23.13 N ATOM 1050 CA TYR A 72 10.846 -0.161 -35.828 1.00 72.33 C ATOM 1051 C TYR A 72 9.625 -0.764 -36.514 1.00 64.33 C ATOM 1052 O TYR A 72 8.489 -0.381 -36.232 1.00 54.01 O ATOM 1053 CB TYR A 72 11.629 0.701 -36.820 1.00 62.53 C ATOM 1054 CG TYR A 72 10.868 1.918 -37.297 1.00 74.02 C ATOM 1055 CD1 TYR A 72 9.882 1.808 -38.269 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.135 3.177 -36.775 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.184 2.917 -38.708 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.443 4.292 -37.207 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.468 4.156 -38.173 1.00 14.41 C ATOM 1060 OH TYR A 72 8.776 5.264 -38.607 1.00 23.11 O ATOM 0 H TYR A 72 12.623 -1.268 -35.714 1.00 23.13 H new ATOM 0 HA TYR A 72 10.505 0.465 -35.004 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.559 1.025 -36.352 1.00 62.53 H new ATOM 0 HB3 TYR A 72 11.901 0.092 -37.682 1.00 62.53 H new ATOM 0 HD1 TYR A 72 9.657 0.839 -38.689 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.897 3.286 -36.018 1.00 33.42 H new ATOM 0 HE1 TYR A 72 8.421 2.814 -39.465 1.00 74.45 H new ATOM 0 HE2 TYR A 72 10.664 5.264 -36.791 1.00 12.54 H new ATOM 0 HH TYR A 72 9.096 6.058 -38.129 1.00 23.11 H new ATOM 1070 N ARG A 73 9.866 -1.711 -37.413 1.00 65.44 N ATOM 1071 CA ARG A 73 8.787 -2.369 -38.141 1.00 14.13 C ATOM 1072 C ARG A 73 7.754 -2.945 -37.177 1.00 11.43 C ATOM 1073 O ARG A 73 6.570 -3.036 -37.500 1.00 2.21 O ATOM 1074 CB ARG A 73 9.346 -3.480 -39.030 1.00 24.52 C ATOM 1075 CG ARG A 73 8.601 -3.639 -40.346 1.00 20.20 C ATOM 1076 CD ARG A 73 7.232 -4.267 -40.139 1.00 62.31 C ATOM 1077 NE ARG A 73 6.814 -5.062 -41.291 1.00 14.20 N ATOM 1078 CZ ARG A 73 7.304 -6.264 -41.570 1.00 65.04 C ATOM 1079 NH1 ARG A 73 8.223 -6.808 -40.785 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 6.873 -6.926 -42.636 1.00 13.35 N ATOM 0 H ARG A 73 10.800 -2.041 -37.656 1.00 65.44 H new ATOM 0 HA ARG A 73 8.298 -1.624 -38.768 1.00 14.13 H new ATOM 0 HB2 ARG A 73 10.396 -3.273 -39.239 1.00 24.52 H new ATOM 0 HB3 ARG A 73 9.309 -4.423 -38.485 1.00 24.52 H new ATOM 0 HG2 ARG A 73 8.487 -2.665 -40.821 1.00 20.20 H new ATOM 0 HG3 ARG A 73 9.188 -4.258 -41.025 1.00 20.20 H new ATOM 0 HD2 ARG A 73 7.254 -4.899 -39.251 1.00 62.31 H new ATOM 0 HD3 ARG A 73 6.498 -3.483 -39.954 1.00 62.31 H new ATOM 0 HE ARG A 73 6.107 -4.673 -41.915 1.00 14.20 H new ATOM 0 HH11 ARG A 73 8.556 -6.303 -39.964 1.00 12.32 H new ATOM 0 HH12 ARG A 73 8.597 -7.732 -41.002 1.00 12.32 H new ATOM 0 HH21 ARG A 73 6.165 -6.512 -43.242 1.00 13.35 H new ATOM 0 HH22 ARG A 73 7.250 -7.849 -42.850 1.00 13.35 H new ATOM 1094 N LYS A 74 8.211 -3.332 -35.991 1.00 33.12 N ATOM 1095 CA LYS A 74 7.328 -3.899 -34.977 1.00 31.02 C ATOM 1096 C LYS A 74 6.487 -2.810 -34.318 1.00 63.21 C ATOM 1097 O LYS A 74 5.261 -2.913 -34.253 1.00 75.00 O ATOM 1098 CB LYS A 74 8.145 -4.639 -33.917 1.00 65.31 C ATOM 1099 CG LYS A 74 8.621 -6.011 -34.364 1.00 40.52 C ATOM 1100 CD LYS A 74 9.288 -6.768 -33.227 1.00 34.44 C ATOM 1101 CE LYS A 74 10.792 -6.549 -33.218 1.00 41.15 C ATOM 1102 NZ LYS A 74 11.522 -7.684 -33.846 1.00 30.01 N1+ ATOM 0 H LYS A 74 9.188 -3.264 -35.708 1.00 33.12 H new ATOM 0 HA LYS A 74 6.657 -4.604 -35.468 1.00 31.02 H new ATOM 0 HB2 LYS A 74 9.010 -4.033 -33.649 1.00 65.31 H new ATOM 0 HB3 LYS A 74 7.541 -4.749 -33.016 1.00 65.31 H new ATOM 0 HG2 LYS A 74 7.774 -6.587 -34.738 1.00 40.52 H new ATOM 0 HG3 LYS A 74 9.323 -5.902 -35.191 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.866 -6.443 -32.276 1.00 34.44 H new ATOM 0 HD3 LYS A 74 9.075 -7.833 -33.323 1.00 34.44 H new ATOM 0 HE2 LYS A 74 11.028 -5.627 -33.750 1.00 41.15 H new ATOM 0 HE3 LYS A 74 11.134 -6.421 -32.191 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 12.542 -7.580 -33.671 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 11.190 -8.580 -33.436 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 11.345 -7.686 -34.871 1.00 30.01 H new ATOM 1116 N LEU A 75 7.152 -1.768 -33.834 1.00 52.50 N ATOM 1117 CA LEU A 75 6.465 -0.659 -33.181 1.00 65.55 C ATOM 1118 C LEU A 75 5.532 0.052 -34.155 1.00 75.21 C ATOM 1119 O LEU A 75 4.573 0.707 -33.747 1.00 64.44 O ATOM 1120 CB LEU A 75 7.482 0.334 -32.614 1.00 21.23 C ATOM 1121 CG LEU A 75 8.479 -0.232 -31.601 1.00 41.12 C ATOM 1122 CD1 LEU A 75 8.934 0.853 -30.637 1.00 62.14 C ATOM 1123 CD2 LEU A 75 7.864 -1.398 -30.842 1.00 51.32 C ATOM 0 H LEU A 75 8.166 -1.667 -33.881 1.00 52.50 H new ATOM 0 HA LEU A 75 5.868 -1.064 -32.364 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.042 0.764 -33.444 1.00 21.23 H new ATOM 0 HB3 LEU A 75 6.937 1.151 -32.140 1.00 21.23 H new ATOM 0 HG LEU A 75 9.351 -0.597 -32.143 1.00 41.12 H new ATOM 0 HD11 LEU A 75 9.643 0.432 -29.924 1.00 62.14 H new ATOM 0 HD12 LEU A 75 9.414 1.657 -31.195 1.00 62.14 H new ATOM 0 HD13 LEU A 75 8.071 1.248 -30.101 1.00 62.14 H new ATOM 0 HD21 LEU A 75 8.587 -1.788 -30.126 1.00 51.32 H new ATOM 0 HD22 LEU A 75 6.975 -1.058 -30.311 1.00 51.32 H new ATOM 0 HD23 LEU A 75 7.589 -2.185 -31.544 1.00 51.32 H new ATOM 1135 N GLY A 76 5.818 -0.082 -35.446 1.00 21.42 N ATOM 1136 CA GLY A 76 4.994 0.551 -36.459 1.00 10.52 C ATOM 1137 C GLY A 76 5.790 0.960 -37.683 1.00 14.51 C ATOM 1138 O GLY A 76 6.984 1.241 -37.588 1.00 71.33 O ATOM 0 H GLY A 76 6.606 -0.618 -35.809 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.201 -0.134 -36.758 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.512 1.431 -36.033 1.00 10.52 H new ATOM 1142 N GLU A 77 5.127 0.993 -38.835 1.00 31.22 N ATOM 1143 CA GLU A 77 5.783 1.367 -40.082 1.00 3.31 C ATOM 1144 C GLU A 77 4.954 2.397 -40.845 1.00 55.51 C ATOM 1145 O GLU A 77 3.744 2.521 -40.653 1.00 65.31 O ATOM 1146 CB GLU A 77 6.011 0.132 -40.955 1.00 60.22 C ATOM 1147 CG GLU A 77 4.834 -0.829 -40.969 1.00 64.43 C ATOM 1148 CD GLU A 77 5.051 -2.004 -41.903 1.00 52.41 C ATOM 1149 OE1 GLU A 77 6.121 -2.060 -42.545 1.00 31.24 O ATOM 1150 OE2 GLU A 77 4.153 -2.867 -41.991 1.00 22.41 O1- ATOM 0 H GLU A 77 4.137 0.765 -38.930 1.00 31.22 H new ATOM 0 HA GLU A 77 6.747 1.812 -39.836 1.00 3.31 H new ATOM 0 HB2 GLU A 77 6.220 0.452 -41.976 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.896 -0.396 -40.599 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.661 -1.200 -39.959 1.00 64.43 H new ATOM 0 HG3 GLU A 77 3.935 -0.292 -41.270 1.00 64.43 H new ATOM 1157 N PRO A 78 5.619 3.153 -41.730 1.00 13.34 N ATOM 1158 CA PRO A 78 4.964 4.185 -42.539 1.00 21.23 C ATOM 1159 C PRO A 78 4.037 3.592 -43.595 1.00 62.01 C ATOM 1160 O PRO A 78 3.787 2.387 -43.608 1.00 42.25 O ATOM 1161 CB PRO A 78 6.136 4.911 -43.204 1.00 40.44 C ATOM 1162 CG PRO A 78 7.234 3.904 -43.241 1.00 2.43 C ATOM 1163 CD PRO A 78 7.062 3.059 -42.009 1.00 41.44 C ATOM 0 HA PRO A 78 4.329 4.834 -41.936 1.00 21.23 H new ATOM 0 HB2 PRO A 78 5.875 5.249 -44.207 1.00 40.44 H new ATOM 0 HB3 PRO A 78 6.428 5.794 -42.636 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.175 3.295 -44.143 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.210 4.390 -43.248 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.372 2.028 -42.182 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.658 3.435 -41.177 1.00 41.44 H new ATOM 1171 N SER A 79 3.529 4.447 -44.478 1.00 1.54 N ATOM 1172 CA SER A 79 2.627 4.007 -45.535 1.00 22.12 C ATOM 1173 C SER A 79 3.296 4.120 -46.902 1.00 55.34 C ATOM 1174 O SER A 79 4.468 4.482 -47.003 1.00 42.34 O ATOM 1175 CB SER A 79 1.341 4.836 -45.514 1.00 75.41 C ATOM 1176 OG SER A 79 1.490 6.027 -46.270 1.00 71.31 O ATOM 0 H SER A 79 3.727 5.448 -44.482 1.00 1.54 H new ATOM 0 HA SER A 79 2.380 2.961 -45.356 1.00 22.12 H new ATOM 0 HB2 SER A 79 0.518 4.246 -45.917 1.00 75.41 H new ATOM 0 HB3 SER A 79 1.081 5.085 -44.485 1.00 75.41 H new ATOM 0 HG SER A 79 0.655 6.539 -46.243 1.00 71.31 H new ATOM 1182 N ASP A 80 2.543 3.805 -47.949 1.00 2.42 N ATOM 1183 CA ASP A 80 3.061 3.871 -49.312 1.00 64.33 C ATOM 1184 C ASP A 80 3.607 5.262 -49.618 1.00 41.21 C ATOM 1185 O ASP A 80 4.688 5.403 -50.191 1.00 61.31 O ATOM 1186 CB ASP A 80 1.965 3.508 -50.314 1.00 42.53 C ATOM 1187 CG ASP A 80 1.646 2.025 -50.312 1.00 72.41 C ATOM 1188 OD1 ASP A 80 0.666 1.630 -49.647 1.00 61.52 O ATOM 1189 OD2 ASP A 80 2.377 1.261 -50.976 1.00 62.51 O1- ATOM 0 H ASP A 80 1.572 3.501 -47.881 1.00 2.42 H new ATOM 0 HA ASP A 80 3.876 3.153 -49.401 1.00 64.33 H new ATOM 0 HB2 ASP A 80 1.062 4.071 -50.080 1.00 42.53 H new ATOM 0 HB3 ASP A 80 2.277 3.808 -51.314 1.00 42.53 H new ATOM 1194 N LYS A 81 2.855 6.287 -49.233 1.00 63.24 N ATOM 1195 CA LYS A 81 3.261 7.667 -49.465 1.00 42.30 C ATOM 1196 C LYS A 81 4.657 7.924 -48.905 1.00 52.43 C ATOM 1197 O LYS A 81 5.573 8.292 -49.641 1.00 13.12 O ATOM 1198 CB LYS A 81 2.259 8.631 -48.827 1.00 24.44 C ATOM 1199 CG LYS A 81 2.190 9.981 -49.520 1.00 13.30 C ATOM 1200 CD LYS A 81 0.801 10.589 -49.416 1.00 11.42 C ATOM 1201 CE LYS A 81 -0.074 10.186 -50.594 1.00 51.52 C ATOM 1202 NZ LYS A 81 -1.312 11.008 -50.673 1.00 62.13 N1+ ATOM 0 H LYS A 81 1.958 6.187 -48.757 1.00 63.24 H new ATOM 0 HA LYS A 81 3.282 7.837 -50.542 1.00 42.30 H new ATOM 0 HB2 LYS A 81 1.269 8.174 -48.839 1.00 24.44 H new ATOM 0 HB3 LYS A 81 2.527 8.782 -47.781 1.00 24.44 H new ATOM 0 HG2 LYS A 81 2.919 10.658 -49.074 1.00 13.30 H new ATOM 0 HG3 LYS A 81 2.461 9.867 -50.570 1.00 13.30 H new ATOM 0 HD2 LYS A 81 0.331 10.269 -48.486 1.00 11.42 H new ATOM 0 HD3 LYS A 81 0.880 11.675 -49.375 1.00 11.42 H new ATOM 0 HE2 LYS A 81 0.492 10.292 -51.520 1.00 51.52 H new ATOM 0 HE3 LYS A 81 -0.342 9.133 -50.503 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 -1.880 10.702 -51.488 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 -1.865 10.887 -49.801 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 -1.057 12.010 -50.785 1.00 62.13 H new ATOM 1216 N GLU A 82 4.812 7.725 -47.600 1.00 13.40 N ATOM 1217 CA GLU A 82 6.096 7.935 -46.943 1.00 22.15 C ATOM 1218 C GLU A 82 7.153 6.984 -47.498 1.00 24.23 C ATOM 1219 O GLU A 82 8.345 7.293 -47.493 1.00 2.21 O ATOM 1220 CB GLU A 82 5.960 7.737 -45.431 1.00 53.12 C ATOM 1221 CG GLU A 82 5.841 9.038 -44.656 1.00 71.53 C ATOM 1222 CD GLU A 82 4.697 9.906 -45.145 1.00 12.30 C ATOM 1223 OE1 GLU A 82 3.614 9.864 -44.524 1.00 14.14 O ATOM 1224 OE2 GLU A 82 4.884 10.627 -46.147 1.00 32.01 O1- ATOM 0 H GLU A 82 4.064 7.419 -46.977 1.00 13.40 H new ATOM 0 HA GLU A 82 6.413 8.959 -47.141 1.00 22.15 H new ATOM 0 HB2 GLU A 82 5.082 7.123 -45.231 1.00 53.12 H new ATOM 0 HB3 GLU A 82 6.826 7.184 -45.066 1.00 53.12 H new ATOM 0 HG2 GLU A 82 5.697 8.815 -43.599 1.00 71.53 H new ATOM 0 HG3 GLU A 82 6.775 9.593 -44.740 1.00 71.53 H new ATOM 1231 N TYR A 83 6.708 5.827 -47.975 1.00 32.52 N ATOM 1232 CA TYR A 83 7.614 4.830 -48.530 1.00 21.41 C ATOM 1233 C TYR A 83 8.340 5.375 -49.755 1.00 74.33 C ATOM 1234 O TYR A 83 9.570 5.373 -49.815 1.00 30.25 O ATOM 1235 CB TYR A 83 6.844 3.561 -48.902 1.00 60.15 C ATOM 1236 CG TYR A 83 7.178 2.372 -48.030 1.00 3.54 C ATOM 1237 CD1 TYR A 83 7.010 2.428 -46.651 1.00 33.43 C ATOM 1238 CD2 TYR A 83 7.662 1.193 -48.584 1.00 72.12 C ATOM 1239 CE1 TYR A 83 7.314 1.344 -45.851 1.00 3.43 C ATOM 1240 CE2 TYR A 83 7.968 0.104 -47.790 1.00 71.42 C ATOM 1241 CZ TYR A 83 7.792 0.185 -46.425 1.00 11.20 C ATOM 1242 OH TYR A 83 8.096 -0.897 -45.631 1.00 41.13 O ATOM 0 H TYR A 83 5.725 5.557 -47.988 1.00 32.52 H new ATOM 0 HA TYR A 83 8.356 4.587 -47.769 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.775 3.762 -48.834 1.00 60.15 H new ATOM 0 HB3 TYR A 83 7.055 3.309 -49.941 1.00 60.15 H new ATOM 0 HD1 TYR A 83 6.636 3.334 -46.198 1.00 33.43 H new ATOM 0 HD2 TYR A 83 7.801 1.127 -49.653 1.00 72.12 H new ATOM 0 HE1 TYR A 83 7.178 1.404 -44.781 1.00 3.43 H new ATOM 0 HE2 TYR A 83 8.343 -0.805 -48.236 1.00 71.42 H new ATOM 0 HH TYR A 83 8.419 -1.633 -46.191 1.00 41.13 H new ATOM 1252 N ASP A 84 7.569 5.843 -50.731 1.00 24.14 N ATOM 1253 CA ASP A 84 8.137 6.394 -51.957 1.00 41.30 C ATOM 1254 C ASP A 84 8.870 7.702 -51.675 1.00 24.23 C ATOM 1255 O ASP A 84 9.946 7.953 -52.219 1.00 11.41 O ATOM 1256 CB ASP A 84 7.039 6.625 -52.995 1.00 33.25 C ATOM 1257 CG ASP A 84 7.522 6.390 -54.412 1.00 12.43 C ATOM 1258 OD1 ASP A 84 8.751 6.284 -54.610 1.00 71.12 O ATOM 1259 OD2 ASP A 84 6.673 6.311 -55.323 1.00 45.14 O1- ATOM 0 H ASP A 84 6.550 5.852 -50.697 1.00 24.14 H new ATOM 0 HA ASP A 84 8.853 5.674 -52.352 1.00 41.30 H new ATOM 0 HB2 ASP A 84 6.200 5.961 -52.786 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.668 7.646 -52.906 1.00 33.25 H new ATOM 1264 N LEU A 85 8.281 8.533 -50.823 1.00 20.31 N ATOM 1265 CA LEU A 85 8.877 9.817 -50.469 1.00 5.33 C ATOM 1266 C LEU A 85 10.300 9.633 -49.954 1.00 63.15 C ATOM 1267 O LEU A 85 11.233 10.275 -50.437 1.00 64.22 O ATOM 1268 CB LEU A 85 8.026 10.522 -49.411 1.00 32.10 C ATOM 1269 CG LEU A 85 7.276 11.771 -49.876 1.00 40.23 C ATOM 1270 CD1 LEU A 85 6.220 11.407 -50.908 1.00 13.40 C ATOM 1271 CD2 LEU A 85 6.642 12.485 -48.691 1.00 5.43 C ATOM 0 H LEU A 85 7.391 8.341 -50.364 1.00 20.31 H new ATOM 0 HA LEU A 85 8.913 10.433 -51.367 1.00 5.33 H new ATOM 0 HB2 LEU A 85 7.298 9.809 -49.024 1.00 32.10 H new ATOM 0 HB3 LEU A 85 8.673 10.800 -48.579 1.00 32.10 H new ATOM 0 HG LEU A 85 7.992 12.448 -50.342 1.00 40.23 H new ATOM 0 HD11 LEU A 85 5.697 12.309 -51.227 1.00 13.40 H new ATOM 0 HD12 LEU A 85 6.699 10.941 -51.769 1.00 13.40 H new ATOM 0 HD13 LEU A 85 5.507 10.710 -50.468 1.00 13.40 H new ATOM 0 HD21 LEU A 85 6.113 13.371 -49.041 1.00 5.43 H new ATOM 0 HD22 LEU A 85 5.940 11.815 -48.196 1.00 5.43 H new ATOM 0 HD23 LEU A 85 7.419 12.781 -47.986 1.00 5.43 H new ATOM 1283 N ILE A 86 10.459 8.751 -48.972 1.00 45.10 N ATOM 1284 CA ILE A 86 11.769 8.481 -48.394 1.00 32.42 C ATOM 1285 C ILE A 86 12.630 7.656 -49.346 1.00 52.13 C ATOM 1286 O ILE A 86 13.846 7.837 -49.412 1.00 14.31 O ATOM 1287 CB ILE A 86 11.650 7.734 -47.053 1.00 62.20 C ATOM 1288 CG1 ILE A 86 10.842 8.565 -46.052 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.030 7.420 -46.496 1.00 11.21 C ATOM 1290 CD1 ILE A 86 9.988 7.730 -45.124 1.00 63.41 C ATOM 0 H ILE A 86 9.697 8.212 -48.561 1.00 45.10 H new ATOM 0 HA ILE A 86 12.243 9.447 -48.222 1.00 32.42 H new ATOM 0 HB ILE A 86 11.127 6.793 -47.223 1.00 62.20 H new ATOM 0 HG12 ILE A 86 11.527 9.169 -45.457 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.201 9.256 -46.599 1.00 10.12 H new ATOM 0 HG21 ILE A 86 12.928 6.892 -45.548 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.574 6.794 -47.203 1.00 11.21 H new ATOM 0 HG23 ILE A 86 13.578 8.349 -46.337 1.00 11.21 H new ATOM 0 HD11 ILE A 86 9.444 8.384 -44.443 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.279 7.146 -45.710 1.00 63.41 H new ATOM 0 HD13 ILE A 86 10.625 7.058 -44.550 1.00 63.41 H new ATOM 1302 N ASP A 87 11.991 6.754 -50.082 1.00 50.21 N ATOM 1303 CA ASP A 87 12.699 5.904 -51.033 1.00 61.54 C ATOM 1304 C ASP A 87 13.388 6.744 -52.104 1.00 73.01 C ATOM 1305 O ASP A 87 14.306 6.275 -52.777 1.00 74.03 O ATOM 1306 CB ASP A 87 11.728 4.919 -51.688 1.00 35.13 C ATOM 1307 CG ASP A 87 12.390 4.087 -52.769 1.00 41.55 C ATOM 1308 OD1 ASP A 87 13.434 3.463 -52.482 1.00 61.45 O ATOM 1309 OD2 ASP A 87 11.865 4.059 -53.900 1.00 51.34 O1- ATOM 0 H ASP A 87 10.985 6.592 -50.039 1.00 50.21 H new ATOM 0 HA ASP A 87 13.460 5.346 -50.488 1.00 61.54 H new ATOM 0 HB2 ASP A 87 11.316 4.258 -50.926 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.891 5.470 -52.118 1.00 35.13 H new ATOM 1314 N GLN A 88 12.941 7.987 -52.255 1.00 32.35 N ATOM 1315 CA GLN A 88 13.515 8.890 -53.244 1.00 71.22 C ATOM 1316 C GLN A 88 14.864 9.425 -52.775 1.00 44.01 C ATOM 1317 O GLN A 88 15.700 9.825 -53.585 1.00 30.30 O ATOM 1318 CB GLN A 88 12.560 10.053 -53.519 1.00 71.55 C ATOM 1319 CG GLN A 88 11.479 9.725 -54.534 1.00 72.24 C ATOM 1320 CD GLN A 88 10.995 10.948 -55.289 1.00 74.11 C ATOM 1321 OE1 GLN A 88 11.795 11.757 -55.760 1.00 14.12 O ATOM 1322 NE2 GLN A 88 9.680 11.090 -55.406 1.00 31.43 N ATOM 0 H GLN A 88 12.183 8.391 -51.705 1.00 32.35 H new ATOM 0 HA GLN A 88 13.668 8.329 -54.166 1.00 71.22 H new ATOM 0 HB2 GLN A 88 12.089 10.354 -52.583 1.00 71.55 H new ATOM 0 HB3 GLN A 88 13.135 10.908 -53.876 1.00 71.55 H new ATOM 0 HG2 GLN A 88 11.863 8.993 -55.244 1.00 72.24 H new ATOM 0 HG3 GLN A 88 10.635 9.261 -54.023 1.00 72.24 H new ATOM 0 HE21 GLN A 88 9.054 10.395 -55.000 1.00 31.43 H new ATOM 0 HE22 GLN A 88 9.296 11.894 -55.902 1.00 31.43 H new ATOM 1331 N ALA A 89 15.070 9.429 -51.462 1.00 43.05 N ATOM 1332 CA ALA A 89 16.318 9.914 -50.886 1.00 33.15 C ATOM 1333 C ALA A 89 17.398 8.838 -50.933 1.00 24.14 C ATOM 1334 O ALA A 89 17.100 7.644 -50.903 1.00 71.13 O ATOM 1335 CB ALA A 89 16.094 10.376 -49.454 1.00 12.20 C ATOM 0 H ALA A 89 14.389 9.102 -50.777 1.00 43.05 H new ATOM 0 HA ALA A 89 16.659 10.762 -51.481 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.034 10.736 -49.036 1.00 12.20 H new ATOM 0 HB2 ALA A 89 15.360 11.182 -49.442 1.00 12.20 H new ATOM 0 HB3 ALA A 89 15.727 9.542 -48.856 1.00 12.20 H new ATOM 1341 N PHE A 90 18.653 9.268 -51.008 1.00 74.20 N ATOM 1342 CA PHE A 90 19.777 8.342 -51.061 1.00 75.52 C ATOM 1343 C PHE A 90 19.959 7.629 -49.724 1.00 71.45 C ATOM 1344 O PHE A 90 20.180 8.265 -48.694 1.00 12.24 O ATOM 1345 CB PHE A 90 21.061 9.086 -51.435 1.00 64.23 C ATOM 1346 CG PHE A 90 22.285 8.215 -51.416 1.00 13.13 C ATOM 1347 CD1 PHE A 90 23.160 8.251 -50.343 1.00 30.42 C ATOM 1348 CD2 PHE A 90 22.561 7.362 -52.473 1.00 65.35 C ATOM 1349 CE1 PHE A 90 24.288 7.451 -50.323 1.00 45.43 C ATOM 1350 CE2 PHE A 90 23.686 6.560 -52.458 1.00 31.34 C ATOM 1351 CZ PHE A 90 24.551 6.605 -51.382 1.00 1.02 C ATOM 0 H PHE A 90 18.917 10.253 -51.033 1.00 74.20 H new ATOM 0 HA PHE A 90 19.563 7.594 -51.825 1.00 75.52 H new ATOM 0 HB2 PHE A 90 20.946 9.516 -52.430 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.205 9.916 -50.744 1.00 64.23 H new ATOM 0 HD1 PHE A 90 22.959 8.911 -49.512 1.00 30.42 H new ATOM 0 HD2 PHE A 90 21.889 7.324 -53.318 1.00 65.35 H new ATOM 0 HE1 PHE A 90 24.962 7.488 -49.480 1.00 45.43 H new ATOM 0 HE2 PHE A 90 23.889 5.898 -53.287 1.00 31.34 H new ATOM 0 HZ PHE A 90 25.431 5.980 -51.369 1.00 1.02 H new ATOM 1361 N GLY A 91 19.865 6.303 -49.749 1.00 12.51 N ATOM 1362 CA GLY A 91 20.020 5.526 -48.534 1.00 14.41 C ATOM 1363 C GLY A 91 19.128 6.019 -47.411 1.00 73.13 C ATOM 1364 O GLY A 91 19.566 6.136 -46.268 1.00 4.35 O ATOM 0 H GLY A 91 19.684 5.753 -50.589 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.791 4.481 -48.743 1.00 14.41 H new ATOM 0 HA3 GLY A 91 21.060 5.566 -48.211 1.00 14.41 H new ATOM 1368 N ALA A 92 17.873 6.309 -47.740 1.00 4.24 N ATOM 1369 CA ALA A 92 16.917 6.792 -46.751 1.00 70.22 C ATOM 1370 C ALA A 92 15.824 5.760 -46.495 1.00 24.25 C ATOM 1371 O ALA A 92 15.248 5.204 -47.432 1.00 13.15 O ATOM 1372 CB ALA A 92 16.307 8.109 -47.206 1.00 0.13 C ATOM 0 H ALA A 92 17.495 6.218 -48.683 1.00 4.24 H new ATOM 0 HA ALA A 92 17.451 6.956 -45.815 1.00 70.22 H new ATOM 0 HB1 ALA A 92 15.595 8.458 -46.458 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.095 8.851 -47.331 1.00 0.13 H new ATOM 0 HB3 ALA A 92 15.793 7.963 -48.156 1.00 0.13 H new ATOM 1378 N THR A 93 15.542 5.506 -45.221 1.00 45.11 N ATOM 1379 CA THR A 93 14.519 4.540 -44.843 1.00 43.04 C ATOM 1380 C THR A 93 13.500 5.161 -43.894 1.00 51.13 C ATOM 1381 O THR A 93 13.805 6.111 -43.175 1.00 12.44 O ATOM 1382 CB THR A 93 15.139 3.301 -44.171 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.452 3.065 -44.693 1.00 31.50 O ATOM 1384 CG2 THR A 93 14.271 2.072 -44.396 1.00 75.11 C ATOM 0 H THR A 93 16.008 5.956 -44.433 1.00 45.11 H new ATOM 0 HA THR A 93 14.018 4.235 -45.761 1.00 43.04 H new ATOM 0 HB THR A 93 15.203 3.491 -43.100 1.00 14.42 H new ATOM 0 HG1 THR A 93 16.840 2.276 -44.259 1.00 31.50 H new ATOM 0 HG21 THR A 93 14.729 1.209 -43.912 1.00 75.11 H new ATOM 0 HG22 THR A 93 13.282 2.243 -43.972 1.00 75.11 H new ATOM 0 HG23 THR A 93 14.179 1.882 -45.465 1.00 75.11 H new ATOM 1392 N GLY A 94 12.286 4.618 -43.898 1.00 64.34 N ATOM 1393 CA GLY A 94 11.240 5.132 -43.034 1.00 73.52 C ATOM 1394 C GLY A 94 11.647 5.140 -41.574 1.00 11.42 C ATOM 1395 O GLY A 94 11.148 5.945 -40.786 1.00 75.13 O ATOM 0 H GLY A 94 12.009 3.831 -44.485 1.00 64.34 H new ATOM 0 HA2 GLY A 94 10.984 6.146 -43.342 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.342 4.525 -43.155 1.00 73.52 H new ATOM 1399 N THR A 95 12.557 4.242 -41.209 1.00 3.02 N ATOM 1400 CA THR A 95 13.029 4.147 -39.833 1.00 45.00 C ATOM 1401 C THR A 95 13.966 5.299 -39.493 1.00 1.41 C ATOM 1402 O THR A 95 14.456 5.402 -38.368 1.00 53.40 O ATOM 1403 CB THR A 95 13.758 2.814 -39.581 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.041 2.829 -40.215 1.00 24.23 O ATOM 1405 CG2 THR A 95 12.941 1.642 -40.103 1.00 23.25 C ATOM 0 H THR A 95 12.982 3.570 -41.848 1.00 3.02 H new ATOM 0 HA THR A 95 12.149 4.198 -39.192 1.00 45.00 H new ATOM 0 HB THR A 95 13.887 2.695 -38.505 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.498 1.978 -40.048 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.477 0.712 -39.913 1.00 23.25 H new ATOM 0 HG22 THR A 95 11.977 1.616 -39.595 1.00 23.25 H new ATOM 0 HG23 THR A 95 12.783 1.758 -41.175 1.00 23.25 H new ATOM 1413 N SER A 96 14.213 6.164 -40.472 1.00 4.44 N ATOM 1414 CA SER A 96 15.096 7.308 -40.277 1.00 60.11 C ATOM 1415 C SER A 96 14.309 8.528 -39.810 1.00 71.41 C ATOM 1416 O SER A 96 14.885 9.512 -39.346 1.00 10.54 O ATOM 1417 CB SER A 96 15.841 7.633 -41.574 1.00 33.34 C ATOM 1418 OG SER A 96 16.800 8.654 -41.369 1.00 54.01 O ATOM 0 H SER A 96 13.814 6.094 -41.408 1.00 4.44 H new ATOM 0 HA SER A 96 15.821 7.048 -39.506 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.335 6.736 -41.948 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.129 7.947 -42.337 1.00 33.34 H new ATOM 0 HG SER A 96 17.263 8.842 -42.212 1.00 54.01 H new ATOM 1424 N ARG A 97 12.988 8.456 -39.936 1.00 14.14 N ATOM 1425 CA ARG A 97 12.120 9.555 -39.528 1.00 44.44 C ATOM 1426 C ARG A 97 11.449 9.251 -38.192 1.00 41.24 C ATOM 1427 O ARG A 97 11.375 8.096 -37.772 1.00 64.24 O ATOM 1428 CB ARG A 97 11.058 9.817 -40.597 1.00 70.20 C ATOM 1429 CG ARG A 97 11.362 11.020 -41.476 1.00 33.41 C ATOM 1430 CD ARG A 97 10.828 10.828 -42.887 1.00 21.13 C ATOM 1431 NE ARG A 97 11.377 11.810 -43.818 1.00 44.32 N ATOM 1432 CZ ARG A 97 10.925 13.056 -43.923 1.00 45.23 C ATOM 1433 NH1 ARG A 97 9.924 13.467 -43.159 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 11.477 13.891 -44.794 1.00 33.05 N ATOM 0 H ARG A 97 12.495 7.648 -40.317 1.00 14.14 H new ATOM 0 HA ARG A 97 12.735 10.447 -39.410 1.00 44.44 H new ATOM 0 HB2 ARG A 97 10.963 8.932 -41.227 1.00 70.20 H new ATOM 0 HB3 ARG A 97 10.094 9.967 -40.110 1.00 70.20 H new ATOM 0 HG2 ARG A 97 10.919 11.914 -41.037 1.00 33.41 H new ATOM 0 HG3 ARG A 97 12.439 11.183 -41.512 1.00 33.41 H new ATOM 0 HD2 ARG A 97 11.072 9.824 -43.234 1.00 21.13 H new ATOM 0 HD3 ARG A 97 9.741 10.906 -42.877 1.00 21.13 H new ATOM 0 HE ARG A 97 12.149 11.525 -44.420 1.00 44.32 H new ATOM 0 HH11 ARG A 97 9.498 12.827 -42.488 1.00 54.10 H new ATOM 0 HH12 ARG A 97 9.579 14.423 -43.241 1.00 54.10 H new ATOM 0 HH21 ARG A 97 12.248 13.577 -45.383 1.00 33.05 H new ATOM 0 HH22 ARG A 97 11.130 14.847 -44.874 1.00 33.05 H new ATOM 1448 N LEU A 98 10.963 10.295 -37.529 1.00 2.12 N ATOM 1449 CA LEU A 98 10.298 10.140 -36.240 1.00 73.45 C ATOM 1450 C LEU A 98 9.764 11.478 -35.739 1.00 21.34 C ATOM 1451 O LEU A 98 10.505 12.453 -35.633 1.00 13.34 O ATOM 1452 CB LEU A 98 11.265 9.547 -35.214 1.00 23.22 C ATOM 1453 CG LEU A 98 10.645 8.623 -34.165 1.00 64.21 C ATOM 1454 CD1 LEU A 98 9.641 9.381 -33.311 1.00 54.22 C ATOM 1455 CD2 LEU A 98 9.984 7.426 -34.832 1.00 44.21 C ATOM 0 H LEU A 98 11.017 11.257 -37.863 1.00 2.12 H new ATOM 0 HA LEU A 98 9.456 9.460 -36.372 1.00 73.45 H new ATOM 0 HB2 LEU A 98 12.035 8.992 -35.749 1.00 23.22 H new ATOM 0 HB3 LEU A 98 11.764 10.367 -34.698 1.00 23.22 H new ATOM 0 HG LEU A 98 11.441 8.258 -33.515 1.00 64.21 H new ATOM 0 HD11 LEU A 98 9.211 8.707 -32.571 1.00 54.22 H new ATOM 0 HD12 LEU A 98 10.143 10.204 -32.803 1.00 54.22 H new ATOM 0 HD13 LEU A 98 8.848 9.776 -33.946 1.00 54.22 H new ATOM 0 HD21 LEU A 98 9.548 6.780 -34.070 1.00 44.21 H new ATOM 0 HD22 LEU A 98 9.200 7.772 -35.506 1.00 44.21 H new ATOM 0 HD23 LEU A 98 10.729 6.868 -35.399 1.00 44.21 H new ATOM 1467 N GLY A 99 8.471 11.515 -35.430 1.00 65.55 N ATOM 1468 CA GLY A 99 7.859 12.737 -34.942 1.00 71.01 C ATOM 1469 C GLY A 99 8.476 13.215 -33.643 1.00 52.33 C ATOM 1470 O GLY A 99 9.537 12.738 -33.237 1.00 62.04 O ATOM 0 H GLY A 99 7.837 10.720 -35.509 1.00 65.55 H new ATOM 0 HA2 GLY A 99 7.959 13.517 -35.697 1.00 71.01 H new ATOM 0 HA3 GLY A 99 6.792 12.572 -34.795 1.00 71.01 H new ATOM 1474 N CYS A 100 7.813 14.161 -32.988 1.00 23.20 N ATOM 1475 CA CYS A 100 8.302 14.707 -31.727 1.00 42.23 C ATOM 1476 C CYS A 100 7.780 13.896 -30.544 1.00 61.43 C ATOM 1477 O CYS A 100 7.256 14.454 -29.580 1.00 22.54 O ATOM 1478 CB CYS A 100 7.881 16.170 -31.583 1.00 12.14 C ATOM 1479 SG CYS A 100 8.928 17.339 -32.507 1.00 33.11 S ATOM 0 H CYS A 100 6.934 14.567 -33.310 1.00 23.20 H new ATOM 0 HA CYS A 100 9.390 14.649 -31.732 1.00 42.23 H new ATOM 0 HB2 CYS A 100 6.850 16.275 -31.922 1.00 12.14 H new ATOM 0 HB3 CYS A 100 7.898 16.440 -30.527 1.00 12.14 H new ATOM 1484 N GLN A 101 7.927 12.578 -30.626 1.00 51.23 N ATOM 1485 CA GLN A 101 7.470 11.691 -29.562 1.00 32.50 C ATOM 1486 C GLN A 101 8.578 10.732 -29.139 1.00 24.44 C ATOM 1487 O GLN A 101 8.335 9.545 -28.916 1.00 62.34 O ATOM 1488 CB GLN A 101 6.243 10.901 -30.020 1.00 54.33 C ATOM 1489 CG GLN A 101 6.456 10.145 -31.322 1.00 51.15 C ATOM 1490 CD GLN A 101 5.546 8.941 -31.454 1.00 64.22 C ATOM 1491 OE1 GLN A 101 5.604 8.012 -30.649 1.00 14.41 O ATOM 1492 NE2 GLN A 101 4.696 8.951 -32.475 1.00 64.44 N ATOM 0 H GLN A 101 8.359 12.101 -31.417 1.00 51.23 H new ATOM 0 HA GLN A 101 7.199 12.305 -28.703 1.00 32.50 H new ATOM 0 HB2 GLN A 101 5.966 10.192 -29.240 1.00 54.33 H new ATOM 0 HB3 GLN A 101 5.404 11.587 -30.141 1.00 54.33 H new ATOM 0 HG2 GLN A 101 6.284 10.819 -32.161 1.00 51.15 H new ATOM 0 HG3 GLN A 101 7.494 9.819 -31.383 1.00 51.15 H new ATOM 0 HE21 GLN A 101 4.682 9.742 -33.119 1.00 64.44 H new ATOM 0 HE22 GLN A 101 4.058 8.168 -32.615 1.00 64.44 H new ATOM 1501 N LEU A 102 9.795 11.253 -29.031 1.00 65.25 N ATOM 1502 CA LEU A 102 10.941 10.442 -28.635 1.00 63.32 C ATOM 1503 C LEU A 102 10.930 10.181 -27.132 1.00 43.03 C ATOM 1504 O LEU A 102 11.816 10.632 -26.406 1.00 43.45 O ATOM 1505 CB LEU A 102 12.245 11.138 -29.032 1.00 54.24 C ATOM 1506 CG LEU A 102 12.726 10.893 -30.464 1.00 12.13 C ATOM 1507 CD1 LEU A 102 13.145 9.442 -30.645 1.00 65.13 C ATOM 1508 CD2 LEU A 102 11.641 11.266 -31.462 1.00 5.14 C ATOM 0 H LEU A 102 10.014 12.233 -29.212 1.00 65.25 H new ATOM 0 HA LEU A 102 10.874 9.485 -29.153 1.00 63.32 H new ATOM 0 HB2 LEU A 102 12.119 12.211 -28.891 1.00 54.24 H new ATOM 0 HB3 LEU A 102 13.029 10.816 -28.346 1.00 54.24 H new ATOM 0 HG LEU A 102 13.594 11.526 -30.649 1.00 12.13 H new ATOM 0 HD11 LEU A 102 13.484 9.286 -31.669 1.00 65.13 H new ATOM 0 HD12 LEU A 102 13.956 9.209 -29.955 1.00 65.13 H new ATOM 0 HD13 LEU A 102 12.296 8.790 -30.441 1.00 65.13 H new ATOM 0 HD21 LEU A 102 12.001 11.085 -32.475 1.00 5.14 H new ATOM 0 HD22 LEU A 102 10.754 10.660 -31.278 1.00 5.14 H new ATOM 0 HD23 LEU A 102 11.390 12.321 -31.349 1.00 5.14 H new ATOM 1520 N ARG A 103 9.921 9.449 -26.671 1.00 52.25 N ATOM 1521 CA ARG A 103 9.795 9.126 -25.255 1.00 12.23 C ATOM 1522 C ARG A 103 10.073 7.646 -25.007 1.00 22.20 C ATOM 1523 O ARG A 103 9.971 6.824 -25.919 1.00 3.34 O ATOM 1524 CB ARG A 103 8.395 9.485 -24.751 1.00 33.05 C ATOM 1525 CG ARG A 103 8.379 10.021 -23.330 1.00 62.04 C ATOM 1526 CD ARG A 103 9.134 11.338 -23.223 1.00 70.21 C ATOM 1527 NE ARG A 103 8.711 12.296 -24.240 1.00 53.42 N ATOM 1528 CZ ARG A 103 7.587 13.001 -24.164 1.00 21.50 C ATOM 1529 NH1 ARG A 103 6.779 12.856 -23.122 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 7.270 13.854 -25.130 1.00 43.51 N ATOM 0 H ARG A 103 9.179 9.068 -27.258 1.00 52.25 H new ATOM 0 HA ARG A 103 10.533 9.713 -24.707 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.958 10.230 -25.416 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.761 8.600 -24.804 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.348 10.164 -23.005 1.00 62.04 H new ATOM 0 HG3 ARG A 103 8.826 9.288 -22.658 1.00 62.04 H new ATOM 0 HD2 ARG A 103 8.976 11.767 -22.233 1.00 70.21 H new ATOM 0 HD3 ARG A 103 10.203 11.152 -23.323 1.00 70.21 H new ATOM 0 HE ARG A 103 9.311 12.432 -25.054 1.00 53.42 H new ATOM 0 HH11 ARG A 103 7.020 12.202 -22.377 1.00 52.01 H new ATOM 0 HH12 ARG A 103 5.917 13.398 -23.066 1.00 52.01 H new ATOM 0 HH21 ARG A 103 7.889 13.969 -25.932 1.00 43.51 H new ATOM 0 HH22 ARG A 103 6.407 14.394 -25.070 1.00 43.51 H new ATOM 1544 N VAL A 104 10.425 7.315 -23.770 1.00 21.01 N ATOM 1545 CA VAL A 104 10.717 5.934 -23.402 1.00 23.15 C ATOM 1546 C VAL A 104 9.435 5.151 -23.142 1.00 51.50 C ATOM 1547 O VAL A 104 8.587 5.572 -22.354 1.00 20.41 O ATOM 1548 CB VAL A 104 11.611 5.864 -22.150 1.00 3.52 C ATOM 1549 CG1 VAL A 104 11.920 4.418 -21.794 1.00 0.25 C ATOM 1550 CG2 VAL A 104 12.893 6.655 -22.366 1.00 72.24 C ATOM 0 H VAL A 104 10.515 7.984 -23.005 1.00 21.01 H new ATOM 0 HA VAL A 104 11.247 5.488 -24.244 1.00 23.15 H new ATOM 0 HB VAL A 104 11.072 6.311 -21.315 1.00 3.52 H new ATOM 0 HG11 VAL A 104 12.553 4.389 -20.907 1.00 0.25 H new ATOM 0 HG12 VAL A 104 10.990 3.886 -21.594 1.00 0.25 H new ATOM 0 HG13 VAL A 104 12.439 3.941 -22.626 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.513 6.595 -21.471 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.438 6.240 -23.214 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.648 7.698 -22.568 1.00 72.24 H new ATOM 1560 N ASP A 105 9.299 4.011 -23.809 1.00 71.13 N ATOM 1561 CA ASP A 105 8.120 3.167 -23.650 1.00 40.04 C ATOM 1562 C ASP A 105 8.515 1.698 -23.542 1.00 72.04 C ATOM 1563 O ASP A 105 9.618 1.310 -23.925 1.00 10.30 O ATOM 1564 CB ASP A 105 7.162 3.366 -24.825 1.00 44.20 C ATOM 1565 CG ASP A 105 7.864 3.282 -26.166 1.00 65.14 C ATOM 1566 OD1 ASP A 105 8.599 4.231 -26.512 1.00 23.23 O ATOM 1567 OD2 ASP A 105 7.680 2.267 -26.869 1.00 33.31 O1- ATOM 0 H ASP A 105 9.991 3.649 -24.466 1.00 71.13 H new ATOM 0 HA ASP A 105 7.616 3.458 -22.728 1.00 40.04 H new ATOM 0 HB2 ASP A 105 6.377 2.611 -24.781 1.00 44.20 H new ATOM 0 HB3 ASP A 105 6.676 4.337 -24.733 1.00 44.20 H new ATOM 1572 N LYS A 106 7.605 0.884 -23.016 1.00 24.41 N ATOM 1573 CA LYS A 106 7.856 -0.544 -22.857 1.00 72.51 C ATOM 1574 C LYS A 106 8.242 -1.180 -24.189 1.00 64.01 C ATOM 1575 O LYS A 106 9.085 -2.075 -24.239 1.00 34.22 O ATOM 1576 CB LYS A 106 6.619 -1.240 -22.286 1.00 13.33 C ATOM 1577 CG LYS A 106 6.944 -2.333 -21.284 1.00 33.41 C ATOM 1578 CD LYS A 106 6.940 -3.706 -21.935 1.00 30.24 C ATOM 1579 CE LYS A 106 5.557 -4.339 -21.891 1.00 13.42 C ATOM 1580 NZ LYS A 106 4.698 -3.873 -23.015 1.00 24.12 N1+ ATOM 0 H LYS A 106 6.687 1.189 -22.693 1.00 24.41 H new ATOM 0 HA LYS A 106 8.687 -0.666 -22.162 1.00 72.51 H new ATOM 0 HB2 LYS A 106 5.983 -0.496 -21.806 1.00 13.33 H new ATOM 0 HB3 LYS A 106 6.044 -1.670 -23.106 1.00 13.33 H new ATOM 0 HG2 LYS A 106 7.921 -2.142 -20.841 1.00 33.41 H new ATOM 0 HG3 LYS A 106 6.216 -2.312 -20.473 1.00 33.41 H new ATOM 0 HD2 LYS A 106 7.269 -3.620 -22.970 1.00 30.24 H new ATOM 0 HD3 LYS A 106 7.654 -4.353 -21.426 1.00 30.24 H new ATOM 0 HE2 LYS A 106 5.653 -5.424 -21.933 1.00 13.42 H new ATOM 0 HE3 LYS A 106 5.077 -4.097 -20.943 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 4.070 -4.646 -23.315 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 4.125 -3.063 -22.702 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 5.298 -3.584 -23.814 1.00 24.12 H new ATOM 1594 N SER A 107 7.618 -0.712 -25.266 1.00 1.32 N ATOM 1595 CA SER A 107 7.894 -1.237 -26.598 1.00 32.25 C ATOM 1596 C SER A 107 9.333 -0.943 -27.010 1.00 64.51 C ATOM 1597 O SER A 107 9.889 -1.608 -27.886 1.00 35.32 O ATOM 1598 CB SER A 107 6.926 -0.634 -27.618 1.00 25.21 C ATOM 1599 OG SER A 107 6.239 -1.648 -28.331 1.00 60.12 O ATOM 0 H SER A 107 6.918 0.030 -25.242 1.00 1.32 H new ATOM 0 HA SER A 107 7.755 -2.318 -26.572 1.00 32.25 H new ATOM 0 HB2 SER A 107 6.207 0.006 -27.107 1.00 25.21 H new ATOM 0 HB3 SER A 107 7.475 -0.003 -28.316 1.00 25.21 H new ATOM 0 HG SER A 107 5.425 -1.274 -28.728 1.00 60.12 H new ATOM 1605 N PHE A 108 9.932 0.057 -26.373 1.00 54.12 N ATOM 1606 CA PHE A 108 11.307 0.442 -26.673 1.00 31.34 C ATOM 1607 C PHE A 108 12.295 -0.434 -25.909 1.00 52.43 C ATOM 1608 O PHE A 108 13.507 -0.243 -26.000 1.00 20.31 O ATOM 1609 CB PHE A 108 11.535 1.914 -26.324 1.00 33.33 C ATOM 1610 CG PHE A 108 11.602 2.811 -27.526 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.584 3.784 -27.626 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.684 2.683 -28.556 1.00 23.10 C ATOM 1613 CE1 PHE A 108 12.649 4.611 -28.731 1.00 64.01 C ATOM 1614 CE2 PHE A 108 10.745 3.507 -29.663 1.00 0.32 C ATOM 1615 CZ PHE A 108 11.729 4.474 -29.751 1.00 71.21 C ATOM 0 H PHE A 108 9.487 0.616 -25.645 1.00 54.12 H new ATOM 0 HA PHE A 108 11.473 0.300 -27.741 1.00 31.34 H new ATOM 0 HB2 PHE A 108 10.730 2.253 -25.672 1.00 33.33 H new ATOM 0 HB3 PHE A 108 12.463 2.006 -25.760 1.00 33.33 H new ATOM 0 HD1 PHE A 108 13.307 3.897 -26.831 1.00 41.10 H new ATOM 0 HD2 PHE A 108 9.912 1.930 -28.493 1.00 23.10 H new ATOM 0 HE1 PHE A 108 13.420 5.365 -28.797 1.00 64.01 H new ATOM 0 HE2 PHE A 108 10.024 3.396 -30.460 1.00 0.32 H new ATOM 0 HZ PHE A 108 11.778 5.120 -30.615 1.00 71.21 H new ATOM 1625 N GLU A 109 11.767 -1.392 -25.155 1.00 45.42 N ATOM 1626 CA GLU A 109 12.603 -2.296 -24.373 1.00 14.13 C ATOM 1627 C GLU A 109 13.601 -3.025 -25.267 1.00 53.04 C ATOM 1628 O GLU A 109 13.219 -3.683 -26.233 1.00 0.14 O ATOM 1629 CB GLU A 109 11.736 -3.311 -23.625 1.00 15.44 C ATOM 1630 CG GLU A 109 12.504 -4.137 -22.608 1.00 21.13 C ATOM 1631 CD GLU A 109 11.624 -5.138 -21.884 1.00 40.23 C ATOM 1632 OE1 GLU A 109 10.390 -5.075 -22.058 1.00 23.25 O ATOM 1633 OE2 GLU A 109 12.171 -5.983 -21.145 1.00 62.22 O1- ATOM 0 H GLU A 109 10.765 -1.563 -25.069 1.00 45.42 H new ATOM 0 HA GLU A 109 13.158 -1.700 -23.649 1.00 14.13 H new ATOM 0 HB2 GLU A 109 10.930 -2.782 -23.116 1.00 15.44 H new ATOM 0 HB3 GLU A 109 11.271 -3.981 -24.348 1.00 15.44 H new ATOM 0 HG2 GLU A 109 13.312 -4.667 -23.112 1.00 21.13 H new ATOM 0 HG3 GLU A 109 12.966 -3.471 -21.879 1.00 21.13 H new ATOM 1640 N ASN A 110 14.883 -2.901 -24.937 1.00 40.22 N ATOM 1641 CA ASN A 110 15.937 -3.546 -25.711 1.00 12.52 C ATOM 1642 C ASN A 110 15.914 -3.073 -27.162 1.00 14.11 C ATOM 1643 O ASN A 110 16.352 -3.787 -28.065 1.00 14.41 O ATOM 1644 CB ASN A 110 15.780 -5.067 -25.657 1.00 53.45 C ATOM 1645 CG ASN A 110 16.448 -5.674 -24.438 1.00 14.25 C ATOM 1646 OD1 ASN A 110 17.581 -5.329 -24.101 1.00 53.03 O ATOM 1647 ND2 ASN A 110 15.747 -6.583 -23.770 1.00 13.04 N ATOM 0 H ASN A 110 15.216 -2.360 -24.139 1.00 40.22 H new ATOM 0 HA ASN A 110 16.896 -3.270 -25.272 1.00 12.52 H new ATOM 0 HB2 ASN A 110 14.720 -5.320 -25.651 1.00 53.45 H new ATOM 0 HB3 ASN A 110 16.207 -5.506 -26.559 1.00 53.45 H new ATOM 0 HD21 ASN A 110 16.144 -7.026 -22.941 1.00 13.04 H new ATOM 0 HD22 ASN A 110 14.811 -6.838 -24.086 1.00 13.04 H new ATOM 1654 N ALA A 111 15.402 -1.866 -27.377 1.00 11.53 N ATOM 1655 CA ALA A 111 15.324 -1.297 -28.717 1.00 33.33 C ATOM 1656 C ALA A 111 16.604 -0.546 -29.068 1.00 12.12 C ATOM 1657 O ALA A 111 17.080 0.285 -28.294 1.00 32.25 O ATOM 1658 CB ALA A 111 14.120 -0.374 -28.829 1.00 12.32 C ATOM 0 H ALA A 111 15.035 -1.263 -26.641 1.00 11.53 H new ATOM 0 HA ALA A 111 15.207 -2.115 -29.427 1.00 33.33 H new ATOM 0 HB1 ALA A 111 14.074 0.044 -29.835 1.00 12.32 H new ATOM 0 HB2 ALA A 111 13.209 -0.938 -28.629 1.00 12.32 H new ATOM 0 HB3 ALA A 111 14.213 0.435 -28.104 1.00 12.32 H new ATOM 1664 N VAL A 112 17.156 -0.842 -30.240 1.00 73.01 N ATOM 1665 CA VAL A 112 18.381 -0.194 -30.694 1.00 70.21 C ATOM 1666 C VAL A 112 18.073 0.957 -31.645 1.00 23.10 C ATOM 1667 O VAL A 112 17.365 0.785 -32.637 1.00 15.11 O ATOM 1668 CB VAL A 112 19.315 -1.194 -31.402 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.683 -0.570 -31.638 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.437 -2.474 -30.590 1.00 42.04 C ATOM 0 H VAL A 112 16.774 -1.527 -30.893 1.00 73.01 H new ATOM 0 HA VAL A 112 18.882 0.195 -29.807 1.00 70.21 H new ATOM 0 HB VAL A 112 18.884 -1.445 -32.371 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.330 -1.290 -32.139 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.576 0.317 -32.262 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.125 -0.289 -30.682 1.00 55.14 H new ATOM 0 HG21 VAL A 112 20.100 -3.169 -31.104 1.00 42.04 H new ATOM 0 HG22 VAL A 112 19.846 -2.243 -29.606 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.453 -2.928 -30.477 1.00 42.04 H new ATOM 1680 N PHE A 113 18.610 2.133 -31.336 1.00 22.12 N ATOM 1681 CA PHE A 113 18.392 3.314 -32.162 1.00 61.43 C ATOM 1682 C PHE A 113 19.716 3.868 -32.678 1.00 43.11 C ATOM 1683 O PHE A 113 20.674 4.028 -31.920 1.00 11.30 O ATOM 1684 CB PHE A 113 17.652 4.391 -31.366 1.00 14.33 C ATOM 1685 CG PHE A 113 18.480 5.005 -30.274 1.00 71.43 C ATOM 1686 CD1 PHE A 113 18.652 4.348 -29.065 1.00 12.52 C ATOM 1687 CD2 PHE A 113 19.086 6.237 -30.455 1.00 14.45 C ATOM 1688 CE1 PHE A 113 19.414 4.911 -28.058 1.00 3.02 C ATOM 1689 CE2 PHE A 113 19.850 6.804 -29.451 1.00 40.02 C ATOM 1690 CZ PHE A 113 20.013 6.140 -28.251 1.00 54.32 C ATOM 0 H PHE A 113 19.199 2.293 -30.519 1.00 22.12 H new ATOM 0 HA PHE A 113 17.782 3.021 -33.017 1.00 61.43 H new ATOM 0 HB2 PHE A 113 17.326 5.176 -32.048 1.00 14.33 H new ATOM 0 HB3 PHE A 113 16.754 3.955 -30.928 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.186 3.386 -28.908 1.00 12.52 H new ATOM 0 HD2 PHE A 113 18.961 6.761 -31.391 1.00 14.45 H new ATOM 0 HE1 PHE A 113 19.541 4.390 -27.121 1.00 3.02 H new ATOM 0 HE2 PHE A 113 20.319 7.765 -29.605 1.00 40.02 H new ATOM 0 HZ PHE A 113 20.608 6.581 -27.465 1.00 54.32 H new ATOM 1700 N THR A 114 19.765 4.160 -33.974 1.00 30.22 N ATOM 1701 CA THR A 114 20.971 4.694 -34.594 1.00 45.33 C ATOM 1702 C THR A 114 20.831 6.185 -34.875 1.00 52.03 C ATOM 1703 O THR A 114 19.835 6.628 -35.449 1.00 43.22 O ATOM 1704 CB THR A 114 21.298 3.964 -35.910 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.454 2.560 -35.666 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.568 4.518 -36.536 1.00 73.44 C ATOM 0 H THR A 114 18.982 4.035 -34.615 1.00 30.22 H new ATOM 0 HA THR A 114 21.785 4.535 -33.887 1.00 45.33 H new ATOM 0 HB THR A 114 20.471 4.123 -36.602 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.958 2.154 -36.402 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.778 3.986 -37.464 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.436 5.579 -36.747 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.401 4.386 -35.846 1.00 73.44 H new ATOM 1714 N VAL A 115 21.834 6.957 -34.469 1.00 21.22 N ATOM 1715 CA VAL A 115 21.822 8.400 -34.679 1.00 72.13 C ATOM 1716 C VAL A 115 22.534 8.772 -35.974 1.00 32.00 C ATOM 1717 O VAL A 115 23.632 8.296 -36.266 1.00 71.13 O ATOM 1718 CB VAL A 115 22.490 9.143 -33.506 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.450 10.647 -33.735 1.00 32.02 C ATOM 1720 CG2 VAL A 115 21.817 8.778 -32.192 1.00 0.35 C ATOM 0 H VAL A 115 22.665 6.607 -33.993 1.00 21.22 H new ATOM 0 HA VAL A 115 20.777 8.703 -34.743 1.00 72.13 H new ATOM 0 HB VAL A 115 23.534 8.835 -33.451 1.00 34.51 H new ATOM 0 HG11 VAL A 115 22.926 11.155 -32.897 1.00 32.02 H new ATOM 0 HG12 VAL A 115 22.981 10.889 -34.655 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.414 10.975 -33.817 1.00 32.02 H new ATOM 0 HG21 VAL A 115 22.302 9.312 -31.374 1.00 0.35 H new ATOM 0 HG22 VAL A 115 20.764 9.056 -32.233 1.00 0.35 H new ATOM 0 HG23 VAL A 115 21.903 7.704 -32.025 1.00 0.35 H new ATOM 1730 N PRO A 116 21.899 9.644 -36.770 1.00 23.44 N ATOM 1731 CA PRO A 116 22.454 10.100 -38.047 1.00 12.20 C ATOM 1732 C PRO A 116 23.667 11.005 -37.862 1.00 62.14 C ATOM 1733 O PRO A 116 24.242 11.074 -36.775 1.00 15.32 O ATOM 1734 CB PRO A 116 21.297 10.879 -38.678 1.00 2.12 C ATOM 1735 CG PRO A 116 20.470 11.330 -37.525 1.00 24.01 C ATOM 1736 CD PRO A 116 20.588 10.252 -36.484 1.00 65.44 C ATOM 0 HA PRO A 116 22.810 9.269 -38.657 1.00 12.20 H new ATOM 0 HB2 PRO A 116 21.661 11.726 -39.259 1.00 2.12 H new ATOM 0 HB3 PRO A 116 20.720 10.251 -39.357 1.00 2.12 H new ATOM 0 HG2 PRO A 116 20.826 12.285 -37.139 1.00 24.01 H new ATOM 0 HG3 PRO A 116 19.431 11.473 -37.822 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.547 10.662 -35.475 1.00 65.44 H new ATOM 0 HD3 PRO A 116 19.781 9.524 -36.566 1.00 65.44 H new ATOM 1744 N ARG A 117 24.050 11.700 -38.928 1.00 4.04 N ATOM 1745 CA ARG A 117 25.197 12.600 -38.882 1.00 23.33 C ATOM 1746 C ARG A 117 24.755 14.025 -38.561 1.00 72.14 C ATOM 1747 O ARG A 117 24.218 14.726 -39.418 1.00 53.20 O ATOM 1748 CB ARG A 117 25.946 12.574 -40.215 1.00 24.40 C ATOM 1749 CG ARG A 117 27.305 13.252 -40.163 1.00 3.30 C ATOM 1750 CD ARG A 117 27.185 14.757 -40.346 1.00 34.14 C ATOM 1751 NE ARG A 117 28.382 15.332 -40.954 1.00 31.52 N ATOM 1752 CZ ARG A 117 29.555 15.413 -40.335 1.00 33.23 C ATOM 1753 NH1 ARG A 117 29.687 14.957 -39.097 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 30.598 15.950 -40.955 1.00 55.12 N ATOM 0 H ARG A 117 23.583 11.657 -39.834 1.00 4.04 H new ATOM 0 HA ARG A 117 25.865 12.258 -38.092 1.00 23.33 H new ATOM 0 HB2 ARG A 117 26.078 11.538 -40.528 1.00 24.40 H new ATOM 0 HB3 ARG A 117 25.335 13.061 -40.975 1.00 24.40 H new ATOM 0 HG2 ARG A 117 27.783 13.038 -39.207 1.00 3.30 H new ATOM 0 HG3 ARG A 117 27.948 12.840 -40.941 1.00 3.30 H new ATOM 0 HD2 ARG A 117 26.319 14.978 -40.970 1.00 34.14 H new ATOM 0 HD3 ARG A 117 27.009 15.227 -39.378 1.00 34.14 H new ATOM 0 HE ARG A 117 28.314 15.691 -41.906 1.00 31.52 H new ATOM 0 HH11 ARG A 117 28.887 14.543 -38.618 1.00 32.32 H new ATOM 0 HH12 ARG A 117 30.588 15.020 -38.624 1.00 32.32 H new ATOM 0 HH21 ARG A 117 30.500 16.301 -41.908 1.00 55.12 H new ATOM 0 HH22 ARG A 117 31.498 16.012 -40.479 1.00 55.12 H new ATOM 1768 N ALA A 118 24.986 14.446 -37.323 1.00 53.11 N ATOM 1769 CA ALA A 118 24.615 15.787 -36.890 1.00 11.14 C ATOM 1770 C ALA A 118 25.763 16.768 -37.093 1.00 12.31 C ATOM 1771 O ALA A 118 25.745 17.579 -38.020 1.00 3.41 O ATOM 1772 CB ALA A 118 24.186 15.770 -35.429 1.00 11.25 C ATOM 0 H ALA A 118 25.429 13.877 -36.601 1.00 53.11 H new ATOM 0 HA ALA A 118 23.776 16.119 -37.501 1.00 11.14 H new ATOM 0 HB1 ALA A 118 23.912 16.778 -35.119 1.00 11.25 H new ATOM 0 HB2 ALA A 118 23.329 15.107 -35.309 1.00 11.25 H new ATOM 0 HB3 ALA A 118 25.010 15.412 -34.812 1.00 11.25 H new ATOM 1778 N THR A 119 26.765 16.690 -36.221 1.00 73.41 N ATOM 1779 CA THR A 119 27.922 17.573 -36.305 1.00 14.20 C ATOM 1780 C THR A 119 28.984 17.184 -35.284 1.00 51.53 C ATOM 1781 O THR A 119 28.764 16.312 -34.444 1.00 25.52 O ATOM 1782 CB THR A 119 27.523 19.043 -36.080 1.00 33.41 C ATOM 1783 OG1 THR A 119 28.632 19.901 -36.374 1.00 12.32 O ATOM 1784 CG2 THR A 119 27.068 19.268 -34.647 1.00 33.30 C ATOM 0 H THR A 119 26.798 16.024 -35.449 1.00 73.41 H new ATOM 0 HA THR A 119 28.331 17.465 -37.310 1.00 14.20 H new ATOM 0 HB THR A 119 26.694 19.278 -36.748 1.00 33.41 H new ATOM 0 HG1 THR A 119 28.370 20.834 -36.230 1.00 12.32 H new ATOM 0 HG21 THR A 119 26.792 20.314 -34.513 1.00 33.30 H new ATOM 0 HG22 THR A 119 26.206 18.635 -34.435 1.00 33.30 H new ATOM 0 HG23 THR A 119 27.879 19.017 -33.964 1.00 33.30 H new ATOM 1792 N LYS A 120 30.138 17.838 -35.361 1.00 3.41 N ATOM 1793 CA LYS A 120 31.237 17.562 -34.441 1.00 11.13 C ATOM 1794 C LYS A 120 30.840 17.891 -33.006 1.00 51.15 C ATOM 1795 O LYS A 120 29.679 18.185 -32.725 1.00 3.10 O ATOM 1796 CB LYS A 120 32.475 18.370 -34.838 1.00 73.35 C ATOM 1797 CG LYS A 120 32.875 18.196 -36.292 1.00 23.14 C ATOM 1798 CD LYS A 120 33.857 19.268 -36.733 1.00 22.41 C ATOM 1799 CE LYS A 120 33.608 19.694 -38.172 1.00 40.11 C ATOM 1800 NZ LYS A 120 34.732 20.508 -38.712 1.00 41.15 N1+ ATOM 0 H LYS A 120 30.337 18.563 -36.051 1.00 3.41 H new ATOM 0 HA LYS A 120 31.470 16.499 -34.500 1.00 11.13 H new ATOM 0 HB2 LYS A 120 32.286 19.426 -34.646 1.00 73.35 H new ATOM 0 HB3 LYS A 120 33.310 18.075 -34.203 1.00 73.35 H new ATOM 0 HG2 LYS A 120 33.322 17.212 -36.432 1.00 23.14 H new ATOM 0 HG3 LYS A 120 31.986 18.234 -36.922 1.00 23.14 H new ATOM 0 HD2 LYS A 120 33.771 20.134 -36.076 1.00 22.41 H new ATOM 0 HD3 LYS A 120 34.876 18.893 -36.635 1.00 22.41 H new ATOM 0 HE2 LYS A 120 33.469 18.810 -38.794 1.00 40.11 H new ATOM 0 HE3 LYS A 120 32.684 20.270 -38.226 1.00 40.11 H new ATOM 0 HZ1 LYS A 120 34.524 20.778 -39.694 1.00 41.15 H new ATOM 0 HZ2 LYS A 120 34.849 21.365 -38.134 1.00 41.15 H new ATOM 0 HZ3 LYS A 120 35.609 19.950 -38.685 1.00 41.15 H new ATOM 1814 N ASN A 121 31.813 17.840 -32.101 1.00 64.12 N ATOM 1815 CA ASN A 121 31.564 18.134 -30.694 1.00 63.15 C ATOM 1816 C ASN A 121 32.810 18.715 -30.032 1.00 0.51 C ATOM 1817 O ASN A 121 33.851 18.867 -30.670 1.00 31.55 O ATOM 1818 CB ASN A 121 31.125 16.867 -29.957 1.00 73.33 C ATOM 1819 CG ASN A 121 31.828 15.626 -30.472 1.00 44.14 C ATOM 1820 OD1 ASN A 121 31.257 14.843 -31.231 1.00 64.24 O ATOM 1821 ND2 ASN A 121 33.077 15.439 -30.058 1.00 40.14 N ATOM 0 H ASN A 121 32.780 17.598 -32.317 1.00 64.12 H new ATOM 0 HA ASN A 121 30.765 18.874 -30.638 1.00 63.15 H new ATOM 0 HB2 ASN A 121 31.328 16.981 -28.892 1.00 73.33 H new ATOM 0 HB3 ASN A 121 30.048 16.742 -30.065 1.00 73.33 H new ATOM 0 HD21 ASN A 121 33.601 14.621 -30.370 1.00 40.14 H new ATOM 0 HD22 ASN A 121 33.512 16.114 -29.429 1.00 40.14 H new ATOM 1828 N MET A 122 32.694 19.036 -28.748 1.00 74.51 N ATOM 1829 CA MET A 122 33.812 19.599 -27.998 1.00 43.31 C ATOM 1830 C MET A 122 33.999 18.868 -26.673 1.00 13.55 C ATOM 1831 O MET A 122 33.073 18.238 -26.164 1.00 15.21 O ATOM 1832 CB MET A 122 33.584 21.091 -27.744 1.00 33.13 C ATOM 1833 CG MET A 122 34.860 21.857 -27.440 1.00 63.32 C ATOM 1834 SD MET A 122 34.551 23.584 -27.027 1.00 33.21 S ATOM 1835 CE MET A 122 34.708 24.351 -28.639 1.00 62.33 C ATOM 0 H MET A 122 31.839 18.916 -28.205 1.00 74.51 H new ATOM 0 HA MET A 122 34.717 19.474 -28.593 1.00 43.31 H new ATOM 0 HB2 MET A 122 33.105 21.531 -28.619 1.00 33.13 H new ATOM 0 HB3 MET A 122 32.892 21.208 -26.910 1.00 33.13 H new ATOM 0 HG2 MET A 122 35.379 21.376 -26.611 1.00 63.32 H new ATOM 0 HG3 MET A 122 35.524 21.807 -28.303 1.00 63.32 H new ATOM 0 HE1 MET A 122 34.543 25.425 -28.549 1.00 62.33 H new ATOM 0 HE2 MET A 122 35.708 24.169 -29.033 1.00 62.33 H new ATOM 0 HE3 MET A 122 33.968 23.926 -29.318 1.00 62.33 H new ATOM 1845 N ALA A 123 35.204 18.956 -26.119 1.00 62.43 N ATOM 1846 CA ALA A 123 35.513 18.305 -24.852 1.00 20.11 C ATOM 1847 C ALA A 123 36.917 18.664 -24.378 1.00 52.22 C ATOM 1848 O ALA A 123 37.678 19.314 -25.094 1.00 2.23 O ATOM 1849 CB ALA A 123 35.368 16.796 -24.985 1.00 51.33 C ATOM 0 H ALA A 123 35.983 19.472 -26.528 1.00 62.43 H new ATOM 0 HA ALA A 123 34.804 18.663 -24.106 1.00 20.11 H new ATOM 0 HB1 ALA A 123 35.602 16.323 -24.031 1.00 51.33 H new ATOM 0 HB2 ALA A 123 34.344 16.553 -25.270 1.00 51.33 H new ATOM 0 HB3 ALA A 123 36.054 16.431 -25.749 1.00 51.33 H new ATOM 1855 N VAL A 124 37.256 18.234 -23.166 1.00 12.32 N ATOM 1856 CA VAL A 124 38.568 18.511 -22.596 1.00 34.21 C ATOM 1857 C VAL A 124 39.426 17.251 -22.558 1.00 0.24 C ATOM 1858 O VAL A 124 38.931 16.157 -22.282 1.00 1.13 O ATOM 1859 CB VAL A 124 38.453 19.083 -21.171 1.00 43.14 C ATOM 1860 CG1 VAL A 124 39.833 19.334 -20.583 1.00 44.35 C ATOM 1861 CG2 VAL A 124 37.625 20.358 -21.175 1.00 31.53 C ATOM 0 H VAL A 124 36.639 17.692 -22.561 1.00 12.32 H new ATOM 0 HA VAL A 124 39.042 19.253 -23.239 1.00 34.21 H new ATOM 0 HB VAL A 124 37.946 18.350 -20.543 1.00 43.14 H new ATOM 0 HG11 VAL A 124 39.731 19.738 -19.576 1.00 44.35 H new ATOM 0 HG12 VAL A 124 40.388 18.397 -20.544 1.00 44.35 H new ATOM 0 HG13 VAL A 124 40.370 20.048 -21.208 1.00 44.35 H new ATOM 0 HG21 VAL A 124 37.554 20.749 -20.160 1.00 31.53 H new ATOM 0 HG22 VAL A 124 38.101 21.099 -21.817 1.00 31.53 H new ATOM 0 HG23 VAL A 124 36.625 20.141 -21.551 1.00 31.53 H new ATOM 1871 N ASP A 125 40.715 17.411 -22.836 1.00 50.35 N ATOM 1872 CA ASP A 125 41.644 16.287 -22.832 1.00 62.21 C ATOM 1873 C ASP A 125 43.076 16.763 -23.053 1.00 45.30 C ATOM 1874 O ASP A 125 43.314 17.937 -23.332 1.00 64.33 O ATOM 1875 CB ASP A 125 41.258 15.275 -23.913 1.00 71.03 C ATOM 1876 CG ASP A 125 41.753 13.877 -23.601 1.00 62.23 C ATOM 1877 OD1 ASP A 125 42.118 13.623 -22.433 1.00 41.11 O ATOM 1878 OD2 ASP A 125 41.775 13.035 -24.523 1.00 63.51 O1- ATOM 0 H ASP A 125 41.141 18.309 -23.067 1.00 50.35 H new ATOM 0 HA ASP A 125 41.587 15.805 -21.856 1.00 62.21 H new ATOM 0 HB2 ASP A 125 40.173 15.258 -24.020 1.00 71.03 H new ATOM 0 HB3 ASP A 125 41.667 15.597 -24.871 1.00 71.03 H new ATOM 1883 N GLY A 126 44.027 15.843 -22.925 1.00 32.22 N ATOM 1884 CA GLY A 126 45.424 16.190 -23.112 1.00 22.23 C ATOM 1885 C GLY A 126 46.361 15.081 -22.674 1.00 23.11 C ATOM 1886 O GLY A 126 47.003 14.437 -23.503 1.00 73.43 O ATOM 0 H GLY A 126 43.855 14.864 -22.695 1.00 32.22 H new ATOM 0 HA2 GLY A 126 45.601 16.417 -24.163 1.00 22.23 H new ATOM 0 HA3 GLY A 126 45.649 17.095 -22.548 1.00 22.23 H new ATOM 1890 N PHE A 127 46.439 14.858 -21.366 1.00 42.33 N ATOM 1891 CA PHE A 127 47.306 13.821 -20.819 1.00 23.03 C ATOM 1892 C PHE A 127 47.043 12.479 -21.496 1.00 1.32 C ATOM 1893 O PHE A 127 45.962 11.905 -21.364 1.00 74.31 O ATOM 1894 CB PHE A 127 47.093 13.693 -19.308 1.00 35.24 C ATOM 1895 CG PHE A 127 48.174 12.914 -18.615 1.00 61.51 C ATOM 1896 CD1 PHE A 127 48.045 11.547 -18.423 1.00 3.43 C ATOM 1897 CD2 PHE A 127 49.317 13.546 -18.155 1.00 41.13 C ATOM 1898 CE1 PHE A 127 49.037 10.827 -17.785 1.00 12.22 C ATOM 1899 CE2 PHE A 127 50.312 12.831 -17.517 1.00 13.40 C ATOM 1900 CZ PHE A 127 50.172 11.469 -17.330 1.00 1.02 C ATOM 0 H PHE A 127 45.913 15.381 -20.666 1.00 42.33 H new ATOM 0 HA PHE A 127 48.340 14.108 -21.011 1.00 23.03 H new ATOM 0 HB2 PHE A 127 47.037 14.690 -18.871 1.00 35.24 H new ATOM 0 HB3 PHE A 127 46.133 13.210 -19.124 1.00 35.24 H new ATOM 0 HD1 PHE A 127 47.160 11.039 -18.776 1.00 3.43 H new ATOM 0 HD2 PHE A 127 49.432 14.610 -18.297 1.00 41.13 H new ATOM 0 HE1 PHE A 127 48.925 9.762 -17.642 1.00 12.22 H new ATOM 0 HE2 PHE A 127 51.199 13.336 -17.164 1.00 13.40 H new ATOM 0 HZ PHE A 127 50.948 10.908 -16.830 1.00 1.02 H new ATOM 1910 N LYS A 128 48.040 11.984 -22.221 1.00 65.05 N ATOM 1911 CA LYS A 128 47.919 10.709 -22.919 1.00 0.22 C ATOM 1912 C LYS A 128 49.248 10.308 -23.553 1.00 2.55 C ATOM 1913 O LYS A 128 49.416 10.341 -24.772 1.00 2.22 O ATOM 1914 CB LYS A 128 46.835 10.794 -23.995 1.00 35.34 C ATOM 1915 CG LYS A 128 46.198 9.454 -24.324 1.00 41.42 C ATOM 1916 CD LYS A 128 46.725 8.894 -25.635 1.00 55.02 C ATOM 1917 CE LYS A 128 46.242 9.711 -26.824 1.00 44.30 C ATOM 1918 NZ LYS A 128 44.756 9.774 -26.887 1.00 71.43 N1+ ATOM 0 H LYS A 128 48.941 12.446 -22.341 1.00 65.05 H new ATOM 0 HA LYS A 128 47.640 9.949 -22.189 1.00 0.22 H new ATOM 0 HB2 LYS A 128 46.059 11.484 -23.664 1.00 35.34 H new ATOM 0 HB3 LYS A 128 47.268 11.214 -24.903 1.00 35.34 H new ATOM 0 HG2 LYS A 128 46.398 8.747 -23.519 1.00 41.42 H new ATOM 0 HG3 LYS A 128 45.116 9.570 -24.385 1.00 41.42 H new ATOM 0 HD2 LYS A 128 47.815 8.886 -25.616 1.00 55.02 H new ATOM 0 HD3 LYS A 128 46.400 7.860 -25.747 1.00 55.02 H new ATOM 0 HE2 LYS A 128 46.646 10.721 -26.758 1.00 44.30 H new ATOM 0 HE3 LYS A 128 46.626 9.273 -27.745 1.00 44.30 H new ATOM 0 HZ1 LYS A 128 44.460 10.046 -27.846 1.00 71.43 H new ATOM 0 HZ2 LYS A 128 44.359 8.842 -26.653 1.00 71.43 H new ATOM 0 HZ3 LYS A 128 44.409 10.479 -26.205 1.00 71.43 H new ATOM 1932 N PRO A 129 50.214 9.919 -22.708 1.00 72.11 N ATOM 1933 CA PRO A 129 51.543 9.502 -23.164 1.00 73.12 C ATOM 1934 C PRO A 129 51.512 8.166 -23.898 1.00 21.15 C ATOM 1935 O PRO A 129 52.078 8.028 -24.982 1.00 62.32 O ATOM 1936 CB PRO A 129 52.341 9.378 -21.863 1.00 45.02 C ATOM 1937 CG PRO A 129 51.317 9.111 -20.814 1.00 53.15 C ATOM 1938 CD PRO A 129 50.083 9.855 -21.242 1.00 34.35 C ATOM 0 HA PRO A 129 51.969 10.208 -23.877 1.00 73.12 H new ATOM 0 HB2 PRO A 129 53.069 8.569 -21.921 1.00 45.02 H new ATOM 0 HB3 PRO A 129 52.896 10.292 -21.651 1.00 45.02 H new ATOM 0 HG2 PRO A 129 51.118 8.043 -20.726 1.00 53.15 H new ATOM 0 HG3 PRO A 129 51.660 9.453 -19.838 1.00 53.15 H new ATOM 0 HD2 PRO A 129 49.175 9.332 -20.942 1.00 34.35 H new ATOM 0 HD3 PRO A 129 50.040 10.850 -20.799 1.00 34.35 H new ATOM 1946 N LYS A 130 50.845 7.183 -23.301 1.00 15.20 N ATOM 1947 CA LYS A 130 50.738 5.858 -23.899 1.00 11.44 C ATOM 1948 C LYS A 130 49.834 4.956 -23.063 1.00 3.25 C ATOM 1949 O LYS A 130 50.293 4.047 -22.371 1.00 43.11 O ATOM 1950 CB LYS A 130 52.124 5.223 -24.035 1.00 1.11 C ATOM 1951 CG LYS A 130 52.224 4.219 -25.170 1.00 1.34 C ATOM 1952 CD LYS A 130 52.465 4.907 -26.503 1.00 53.24 C ATOM 1953 CE LYS A 130 52.207 3.966 -27.671 1.00 72.42 C ATOM 1954 NZ LYS A 130 50.770 3.592 -27.774 1.00 22.44 N1+ ATOM 0 H LYS A 130 50.371 7.280 -22.403 1.00 15.20 H new ATOM 0 HA LYS A 130 50.297 5.968 -24.890 1.00 11.44 H new ATOM 0 HB2 LYS A 130 52.861 6.010 -24.191 1.00 1.11 H new ATOM 0 HB3 LYS A 130 52.381 4.727 -23.099 1.00 1.11 H new ATOM 0 HG2 LYS A 130 53.036 3.520 -24.968 1.00 1.34 H new ATOM 0 HG3 LYS A 130 51.305 3.634 -25.222 1.00 1.34 H new ATOM 0 HD2 LYS A 130 51.816 5.779 -26.586 1.00 53.24 H new ATOM 0 HD3 LYS A 130 53.492 5.269 -26.546 1.00 53.24 H new ATOM 0 HE2 LYS A 130 52.526 4.442 -28.598 1.00 72.42 H new ATOM 0 HE3 LYS A 130 52.809 3.065 -27.552 1.00 72.42 H new ATOM 0 HZ1 LYS A 130 50.569 3.247 -28.734 1.00 22.44 H new ATOM 0 HZ2 LYS A 130 50.556 2.843 -27.085 1.00 22.44 H new ATOM 0 HZ3 LYS A 130 50.179 4.424 -27.574 1.00 22.44 H new ATOM 1968 N PRO A 131 48.518 5.210 -23.130 1.00 61.00 N ATOM 1969 CA PRO A 131 47.524 4.430 -22.387 1.00 32.35 C ATOM 1970 C PRO A 131 47.377 3.012 -22.929 1.00 31.34 C ATOM 1971 O PRO A 131 47.068 2.815 -24.104 1.00 23.11 O ATOM 1972 CB PRO A 131 46.229 5.219 -22.596 1.00 15.11 C ATOM 1973 CG PRO A 131 46.434 5.955 -23.874 1.00 73.03 C ATOM 1974 CD PRO A 131 47.902 6.277 -23.935 1.00 44.23 C ATOM 0 HA PRO A 131 47.801 4.306 -21.340 1.00 32.35 H new ATOM 0 HB2 PRO A 131 45.367 4.555 -22.656 1.00 15.11 H new ATOM 0 HB3 PRO A 131 46.046 5.905 -21.769 1.00 15.11 H new ATOM 0 HG2 PRO A 131 46.132 5.347 -24.727 1.00 73.03 H new ATOM 0 HG3 PRO A 131 45.833 6.864 -23.902 1.00 73.03 H new ATOM 0 HD2 PRO A 131 48.272 6.272 -24.960 1.00 44.23 H new ATOM 0 HD3 PRO A 131 48.114 7.264 -23.524 1.00 44.23 H new ATOM 1982 N HIS A 132 47.601 2.028 -22.064 1.00 72.12 N ATOM 1983 CA HIS A 132 47.492 0.627 -22.456 1.00 11.44 C ATOM 1984 C HIS A 132 46.110 0.329 -23.030 1.00 44.33 C ATOM 1985 O HIS A 132 45.133 0.934 -22.591 1.00 51.01 O ATOM 1986 CB HIS A 132 47.766 -0.282 -21.258 1.00 21.33 C ATOM 1987 CG HIS A 132 49.216 -0.374 -20.894 1.00 14.41 C ATOM 1988 ND1 HIS A 132 50.233 -0.226 -21.814 1.00 32.41 N ATOM 1989 CD2 HIS A 132 49.818 -0.598 -19.703 1.00 31.54 C ATOM 1990 CE1 HIS A 132 51.397 -0.356 -21.204 1.00 53.00 C ATOM 1991 NE2 HIS A 132 51.173 -0.583 -19.922 1.00 24.25 N ATOM 0 H HIS A 132 47.859 2.174 -21.088 1.00 72.12 H new ATOM 0 HA HIS A 132 48.236 0.432 -23.228 1.00 11.44 H new ATOM 0 HB2 HIS A 132 47.207 0.086 -20.398 1.00 21.33 H new ATOM 0 HB3 HIS A 132 47.391 -1.282 -21.478 1.00 21.33 H new ATOM 0 HD2 HIS A 132 49.324 -0.759 -18.756 1.00 31.54 H new ATOM 0 HE1 HIS A 132 52.367 -0.288 -21.673 1.00 53.00 H new ATOM 0 HE2 HIS A 132 51.890 -0.724 -19.211 1.00 24.25 H new TER 1999 HIS A 132 HETATM 2000 FE1 FES A 200 13.032 18.937 -32.235 1.00 71.43 FE HETATM 2001 FE2 FES A 200 11.079 17.222 -33.055 1.00 2.34 FE HETATM 2002 S1 FES A 200 10.862 19.270 -32.290 1.00 50.50 S HETATM 2003 S2 FES A 200 13.146 16.753 -32.460 1.00 65.42 S