USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1097 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 136 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 75 MET CE :methyl -122:sc= -0.155 (180deg=-2.18!) USER MOD Set 2.2: A 95 MET CE :methyl 171:sc= 0 (180deg=-0.153) USER MOD Set 3.1: A 40 TYR OH : rot 158:sc= 0.735 USER MOD Set 3.2: A 42 GLN : amide:sc= -0.115 K(o=0.62,f=-0.97) USER MOD Set 4.1: A 32 SER OG : rot 180:sc= 0.0227 USER MOD Set 4.2: A 126 ASN : amide:sc= 0.0251 K(o=0.048,f=0.76) USER MOD Single : A 3 SER OG : rot 180:sc=-0.00533 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 90:sc= 0.0124 USER MOD Single : A -1 GLY N :NH3+ 143:sc= 0.0123 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -52:sc= 1.09 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.13) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 53 GLN : amide:sc= 0.0498 K(o=0.05,f=-5.9!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.07 USER MOD Single : A 59 CYS SG : rot -51:sc= 0.0128 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 90:sc= 0.584 USER MOD Single : A 70 LYS NZ :NH3+ -120:sc= 1.31 (180deg=-0.29) USER MOD Single : A 72 HIS : no HE2:sc= -0.585 K(o=-0.58,f=-7.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc=-0.00779 X(o=-0.0078,f=-0.0078) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.043) USER MOD Single : A 102 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.024) USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0365) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 139:sc= 0.452 (180deg=0.00744) USER MOD Single : A 114 GLN : amide:sc=-0.00118 X(o=-0.0012,f=-0.11) USER MOD Single : A 115 ASN : amide:sc= -0.495 X(o=-0.49,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0.665 K(o=0.67,f=0) USER MOD Single : A 137 ASN : amide:sc= 0.04 X(o=0.04,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 3.147 -1.370 -3.149 1.00 0.00 N ATOM 2 CA GLY A -1 2.668 -0.082 -2.593 1.00 0.00 C ATOM 3 C GLY A -1 1.918 0.742 -3.630 1.00 0.00 C ATOM 4 O GLY A -1 2.272 0.726 -4.808 1.00 0.00 O ATOM 0 H1 GLY A -1 4.079 -1.597 -2.747 1.00 0.00 H new ATOM 0 H2 GLY A -1 2.473 -2.124 -2.908 1.00 0.00 H new ATOM 0 H3 GLY A -1 3.226 -1.294 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A -1 2.015 -0.275 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY A -1 3.517 0.490 -2.220 1.00 0.00 H new ATOM 8 N GLY A 0 0.906 1.501 -3.195 1.00 0.00 N ATOM 9 CA GLY A 0 0.132 2.457 -3.991 1.00 0.00 C ATOM 10 C GLY A 0 -0.227 3.700 -3.165 1.00 0.00 C ATOM 11 O GLY A 0 -0.209 3.662 -1.934 1.00 0.00 O ATOM 0 H GLY A 0 0.589 1.462 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.706 2.753 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.779 1.981 -4.352 1.00 0.00 H new ATOM 15 N ALA A 1 -0.527 4.807 -3.840 1.00 0.00 N ATOM 16 CA ALA A 1 -0.682 6.131 -3.235 1.00 0.00 C ATOM 17 C ALA A 1 -1.525 7.088 -4.106 1.00 0.00 C ATOM 18 O ALA A 1 -1.955 6.736 -5.210 1.00 0.00 O ATOM 19 CB ALA A 1 0.734 6.661 -2.993 1.00 0.00 C ATOM 0 H ALA A 1 -0.673 4.810 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.236 6.061 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.680 7.651 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.266 5.985 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.266 6.725 -3.942 1.00 0.00 H new ATOM 25 N LEU A 2 -1.748 8.307 -3.604 1.00 0.00 N ATOM 26 CA LEU A 2 -2.627 9.320 -4.192 1.00 0.00 C ATOM 27 C LEU A 2 -1.805 10.503 -4.735 1.00 0.00 C ATOM 28 O LEU A 2 -0.744 10.828 -4.195 1.00 0.00 O ATOM 29 CB LEU A 2 -3.621 9.825 -3.125 1.00 0.00 C ATOM 30 CG LEU A 2 -4.568 8.814 -2.445 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.307 7.928 -3.447 1.00 0.00 C ATOM 32 CD2 LEU A 2 -3.890 7.980 -1.360 1.00 0.00 C ATOM 0 H LEU A 2 -1.303 8.626 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.175 8.869 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.042 10.312 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.239 10.594 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.316 9.427 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.958 7.237 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.907 8.551 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.584 7.363 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.614 7.291 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.068 7.414 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.504 8.639 -0.583 1.00 0.00 H new ATOM 44 N SER A 3 -2.282 11.151 -5.799 1.00 0.00 N ATOM 45 CA SER A 3 -1.653 12.350 -6.372 1.00 0.00 C ATOM 46 C SER A 3 -1.627 13.530 -5.391 1.00 0.00 C ATOM 47 O SER A 3 -2.405 13.594 -4.439 1.00 0.00 O ATOM 48 CB SER A 3 -2.386 12.743 -7.658 1.00 0.00 C ATOM 49 OG SER A 3 -1.714 13.797 -8.329 1.00 0.00 O ATOM 0 H SER A 3 -3.124 10.858 -6.295 1.00 0.00 H new ATOM 0 HA SER A 3 -0.614 12.105 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.460 11.878 -8.317 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.404 13.050 -7.420 1.00 0.00 H new ATOM 0 HG SER A 3 -2.202 14.027 -9.147 1.00 0.00 H new ATOM 55 N TYR A 4 -0.762 14.513 -5.656 1.00 0.00 N ATOM 56 CA TYR A 4 -0.692 15.767 -4.900 1.00 0.00 C ATOM 57 C TYR A 4 -2.054 16.467 -4.794 1.00 0.00 C ATOM 58 O TYR A 4 -2.468 16.872 -3.711 1.00 0.00 O ATOM 59 CB TYR A 4 0.308 16.695 -5.593 1.00 0.00 C ATOM 60 CG TYR A 4 0.473 18.041 -4.914 1.00 0.00 C ATOM 61 CD1 TYR A 4 1.425 18.196 -3.889 1.00 0.00 C ATOM 62 CD2 TYR A 4 -0.339 19.129 -5.292 1.00 0.00 C ATOM 63 CE1 TYR A 4 1.571 19.437 -3.242 1.00 0.00 C ATOM 64 CE2 TYR A 4 -0.192 20.375 -4.650 1.00 0.00 C ATOM 65 CZ TYR A 4 0.766 20.533 -3.627 1.00 0.00 C ATOM 66 OH TYR A 4 0.919 21.742 -3.021 1.00 0.00 O ATOM 0 H TYR A 4 -0.080 14.459 -6.413 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.374 15.533 -3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.278 16.200 -5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.014 16.856 -6.622 1.00 0.00 H new ATOM 0 HD1 TYR A 4 2.045 17.361 -3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.074 19.008 -6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 4 2.298 19.552 -2.452 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -0.813 21.209 -4.941 1.00 0.00 H new ATOM 0 HH TYR A 4 0.287 22.384 -3.407 1.00 0.00 H new ATOM 76 N GLU A 5 -2.762 16.576 -5.925 1.00 0.00 N ATOM 77 CA GLU A 5 -4.045 17.253 -6.078 1.00 0.00 C ATOM 78 C GLU A 5 -5.179 16.607 -5.260 1.00 0.00 C ATOM 79 O GLU A 5 -6.185 17.263 -4.991 1.00 0.00 O ATOM 80 CB GLU A 5 -4.321 17.234 -7.590 1.00 0.00 C ATOM 81 CG GLU A 5 -5.762 17.462 -8.034 1.00 0.00 C ATOM 82 CD GLU A 5 -6.344 18.853 -7.696 1.00 0.00 C ATOM 83 OE1 GLU A 5 -5.577 19.820 -7.458 1.00 0.00 O ATOM 84 OE2 GLU A 5 -7.592 19.003 -7.722 1.00 0.00 O ATOM 0 H GLU A 5 -2.433 16.171 -6.801 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.004 18.268 -5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.698 17.996 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.994 16.271 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.820 17.314 -9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.392 16.701 -7.573 1.00 0.00 H new ATOM 91 N THR A 6 -5.033 15.339 -4.861 1.00 0.00 N ATOM 92 CA THR A 6 -6.028 14.596 -4.067 1.00 0.00 C ATOM 93 C THR A 6 -6.288 15.295 -2.722 1.00 0.00 C ATOM 94 O THR A 6 -5.457 15.244 -1.810 1.00 0.00 O ATOM 95 CB THR A 6 -5.590 13.139 -3.849 1.00 0.00 C ATOM 96 OG1 THR A 6 -5.311 12.531 -5.098 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.663 12.286 -3.162 1.00 0.00 C ATOM 0 H THR A 6 -4.205 14.786 -5.083 1.00 0.00 H new ATOM 0 HA THR A 6 -6.961 14.583 -4.630 1.00 0.00 H new ATOM 0 HB THR A 6 -4.710 13.181 -3.207 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.366 12.661 -5.321 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.293 11.268 -3.036 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.895 12.711 -2.185 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.564 12.272 -3.775 1.00 0.00 H new ATOM 105 N GLU A 7 -7.440 15.963 -2.594 1.00 0.00 N ATOM 106 CA GLU A 7 -7.794 16.710 -1.379 1.00 0.00 C ATOM 107 C GLU A 7 -8.462 15.796 -0.348 1.00 0.00 C ATOM 108 O GLU A 7 -9.437 15.095 -0.645 1.00 0.00 O ATOM 109 CB GLU A 7 -8.713 17.908 -1.665 1.00 0.00 C ATOM 110 CG GLU A 7 -8.219 18.799 -2.813 1.00 0.00 C ATOM 111 CD GLU A 7 -8.951 20.156 -2.896 1.00 0.00 C ATOM 112 OE1 GLU A 7 -10.195 20.207 -2.748 1.00 0.00 O ATOM 113 OE2 GLU A 7 -8.283 21.185 -3.164 1.00 0.00 O ATOM 0 H GLU A 7 -8.151 16.002 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.856 17.095 -0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.711 17.541 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.803 18.510 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.151 18.978 -2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.347 18.268 -3.756 1.00 0.00 H new ATOM 120 N ILE A 8 -7.960 15.848 0.884 1.00 0.00 N ATOM 121 CA ILE A 8 -8.427 15.049 2.016 1.00 0.00 C ATOM 122 C ILE A 8 -9.051 16.007 3.029 1.00 0.00 C ATOM 123 O ILE A 8 -8.417 16.980 3.442 1.00 0.00 O ATOM 124 CB ILE A 8 -7.257 14.252 2.640 1.00 0.00 C ATOM 125 CG1 ILE A 8 -6.416 13.477 1.602 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.760 13.290 3.733 1.00 0.00 C ATOM 127 CD1 ILE A 8 -7.205 12.549 0.671 1.00 0.00 C ATOM 0 H ILE A 8 -7.190 16.469 1.131 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.168 14.318 1.692 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.600 14.998 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.871 14.197 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.673 12.883 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.916 12.744 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.252 13.860 4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.469 12.585 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.519 12.055 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.728 11.798 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.930 13.133 0.104 1.00 0.00 H new ATOM 139 N LEU A 9 -10.305 15.751 3.405 1.00 0.00 N ATOM 140 CA LEU A 9 -10.975 16.466 4.494 1.00 0.00 C ATOM 141 C LEU A 9 -10.194 16.313 5.815 1.00 0.00 C ATOM 142 O LEU A 9 -9.882 15.200 6.246 1.00 0.00 O ATOM 143 CB LEU A 9 -12.416 15.943 4.621 1.00 0.00 C ATOM 144 CG LEU A 9 -13.255 16.649 5.706 1.00 0.00 C ATOM 145 CD1 LEU A 9 -13.619 18.088 5.347 1.00 0.00 C ATOM 146 CD2 LEU A 9 -14.554 15.878 5.936 1.00 0.00 C ATOM 0 H LEU A 9 -10.887 15.040 2.962 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.006 17.532 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.917 16.057 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.385 14.876 4.840 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.635 16.672 6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.209 18.526 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.708 18.670 5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.201 18.097 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.144 16.380 6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.124 15.840 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.322 14.864 6.262 1.00 0.00 H new ATOM 158 N THR A 10 -9.936 17.439 6.482 1.00 0.00 N ATOM 159 CA THR A 10 -9.213 17.523 7.762 1.00 0.00 C ATOM 160 C THR A 10 -9.945 18.421 8.759 1.00 0.00 C ATOM 161 O THR A 10 -10.605 19.386 8.372 1.00 0.00 O ATOM 162 CB THR A 10 -7.777 18.047 7.577 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.774 19.307 6.936 1.00 0.00 O ATOM 164 CG2 THR A 10 -6.886 17.104 6.772 1.00 0.00 C ATOM 0 H THR A 10 -10.233 18.352 6.138 1.00 0.00 H new ATOM 0 HA THR A 10 -9.169 16.507 8.155 1.00 0.00 H new ATOM 0 HB THR A 10 -7.370 18.125 8.585 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.303 19.256 6.113 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.889 17.535 6.680 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.820 16.143 7.281 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.312 16.960 5.779 1.00 0.00 H new ATOM 172 N VAL A 11 -9.824 18.117 10.058 1.00 0.00 N ATOM 173 CA VAL A 11 -10.457 18.921 11.128 1.00 0.00 C ATOM 174 C VAL A 11 -9.716 20.247 11.363 1.00 0.00 C ATOM 175 O VAL A 11 -10.337 21.260 11.691 1.00 0.00 O ATOM 176 CB VAL A 11 -10.567 18.119 12.442 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.318 18.875 13.546 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.309 16.790 12.236 1.00 0.00 C ATOM 0 H VAL A 11 -9.292 17.317 10.401 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.465 19.161 10.790 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.534 17.950 12.747 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.362 18.259 14.444 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.796 19.805 13.770 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.330 19.099 13.210 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.366 16.254 13.184 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.316 16.989 11.870 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.772 16.182 11.508 1.00 0.00 H new ATOM 188 N GLU A 12 -8.398 20.265 11.150 1.00 0.00 N ATOM 189 CA GLU A 12 -7.560 21.464 11.318 1.00 0.00 C ATOM 190 C GLU A 12 -7.892 22.595 10.330 1.00 0.00 C ATOM 191 O GLU A 12 -7.841 23.766 10.720 1.00 0.00 O ATOM 192 CB GLU A 12 -6.080 21.082 11.156 1.00 0.00 C ATOM 193 CG GLU A 12 -5.441 20.562 12.449 1.00 0.00 C ATOM 194 CD GLU A 12 -5.351 21.659 13.531 1.00 0.00 C ATOM 195 OE1 GLU A 12 -4.486 22.563 13.424 1.00 0.00 O ATOM 196 OE2 GLU A 12 -6.144 21.624 14.504 1.00 0.00 O ATOM 0 H GLU A 12 -7.874 19.442 10.853 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.766 21.844 12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.992 20.318 10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.523 21.953 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.024 19.724 12.830 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.442 20.183 12.233 1.00 0.00 H new ATOM 203 N TYR A 13 -8.245 22.264 9.078 1.00 0.00 N ATOM 204 CA TYR A 13 -8.418 23.260 8.010 1.00 0.00 C ATOM 205 C TYR A 13 -9.590 22.986 7.054 1.00 0.00 C ATOM 206 O TYR A 13 -10.323 23.923 6.723 1.00 0.00 O ATOM 207 CB TYR A 13 -7.124 23.360 7.185 1.00 0.00 C ATOM 208 CG TYR A 13 -5.878 23.828 7.920 1.00 0.00 C ATOM 209 CD1 TYR A 13 -5.850 25.113 8.499 1.00 0.00 C ATOM 210 CD2 TYR A 13 -4.733 23.007 7.976 1.00 0.00 C ATOM 211 CE1 TYR A 13 -4.686 25.575 9.143 1.00 0.00 C ATOM 212 CE2 TYR A 13 -3.564 23.469 8.613 1.00 0.00 C ATOM 213 CZ TYR A 13 -3.538 24.753 9.200 1.00 0.00 C ATOM 214 OH TYR A 13 -2.405 25.200 9.806 1.00 0.00 O ATOM 0 H TYR A 13 -8.418 21.304 8.779 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.650 24.194 8.521 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.918 22.379 6.756 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.303 24.040 6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.724 25.745 8.449 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.752 22.023 7.530 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.671 26.557 9.593 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.687 22.840 8.652 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.713 24.508 9.756 1.00 0.00 H new ATOM 224 N GLY A 14 -9.773 21.745 6.586 1.00 0.00 N ATOM 225 CA GLY A 14 -10.757 21.401 5.553 1.00 0.00 C ATOM 226 C GLY A 14 -10.148 20.571 4.424 1.00 0.00 C ATOM 227 O GLY A 14 -9.402 19.626 4.676 1.00 0.00 O ATOM 0 H GLY A 14 -9.236 20.944 6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.578 20.846 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.181 22.316 5.140 1.00 0.00 H new ATOM 231 N LEU A 15 -10.499 20.906 3.182 1.00 0.00 N ATOM 232 CA LEU A 15 -10.155 20.166 1.961 1.00 0.00 C ATOM 233 C LEU A 15 -8.746 20.534 1.444 1.00 0.00 C ATOM 234 O LEU A 15 -8.589 21.487 0.674 1.00 0.00 O ATOM 235 CB LEU A 15 -11.222 20.469 0.890 1.00 0.00 C ATOM 236 CG LEU A 15 -12.688 20.331 1.337 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.603 20.615 0.151 1.00 0.00 C ATOM 238 CD2 LEU A 15 -12.967 18.948 1.914 1.00 0.00 C ATOM 0 H LEU A 15 -11.056 21.738 2.988 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.139 19.100 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.067 21.486 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.057 19.803 0.043 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.882 21.055 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.643 20.518 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.425 21.627 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.396 19.902 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -14.011 18.885 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.764 18.190 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.325 18.778 2.778 1.00 0.00 H new ATOM 250 N LEU A 16 -7.716 19.799 1.875 1.00 0.00 N ATOM 251 CA LEU A 16 -6.299 20.134 1.618 1.00 0.00 C ATOM 252 C LEU A 16 -5.544 19.003 0.874 1.00 0.00 C ATOM 253 O LEU A 16 -5.831 17.825 1.104 1.00 0.00 O ATOM 254 CB LEU A 16 -5.581 20.483 2.946 1.00 0.00 C ATOM 255 CG LEU A 16 -5.668 21.938 3.464 1.00 0.00 C ATOM 256 CD1 LEU A 16 -5.022 22.953 2.517 1.00 0.00 C ATOM 257 CD2 LEU A 16 -7.086 22.412 3.761 1.00 0.00 C ATOM 0 H LEU A 16 -7.837 18.944 2.418 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.290 21.004 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.980 19.829 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.526 20.234 2.830 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.110 21.897 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.116 23.954 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.967 22.711 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.522 22.917 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.058 23.441 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.685 22.360 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.530 21.774 4.525 1.00 0.00 H new ATOM 269 N PRO A 17 -4.574 19.336 -0.007 1.00 0.00 N ATOM 270 CA PRO A 17 -3.820 18.369 -0.814 1.00 0.00 C ATOM 271 C PRO A 17 -2.914 17.465 0.036 1.00 0.00 C ATOM 272 O PRO A 17 -2.051 17.946 0.775 1.00 0.00 O ATOM 273 CB PRO A 17 -3.008 19.209 -1.811 1.00 0.00 C ATOM 274 CG PRO A 17 -2.867 20.566 -1.138 1.00 0.00 C ATOM 275 CD PRO A 17 -4.158 20.693 -0.340 1.00 0.00 C ATOM 0 HA PRO A 17 -4.495 17.680 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.034 18.760 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.520 19.292 -2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.989 20.607 -0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.764 21.369 -1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.000 21.283 0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.926 21.202 -0.923 1.00 0.00 H new ATOM 283 N ILE A 18 -3.070 16.145 -0.110 1.00 0.00 N ATOM 284 CA ILE A 18 -2.264 15.136 0.603 1.00 0.00 C ATOM 285 C ILE A 18 -0.756 15.301 0.389 1.00 0.00 C ATOM 286 O ILE A 18 0.017 15.145 1.334 1.00 0.00 O ATOM 287 CB ILE A 18 -2.730 13.707 0.246 1.00 0.00 C ATOM 288 CG1 ILE A 18 -2.032 12.663 1.145 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.547 13.365 -1.241 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.668 11.271 1.085 1.00 0.00 C ATOM 0 H ILE A 18 -3.767 15.737 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.434 15.302 1.667 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.803 13.674 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.985 12.587 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.049 13.016 2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.893 12.348 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.125 14.061 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.492 13.443 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.123 10.593 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.707 11.332 1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.627 10.896 0.062 1.00 0.00 H new ATOM 302 N GLY A 19 -0.320 15.680 -0.816 1.00 0.00 N ATOM 303 CA GLY A 19 1.107 15.801 -1.117 1.00 0.00 C ATOM 304 C GLY A 19 1.786 16.938 -0.355 1.00 0.00 C ATOM 305 O GLY A 19 2.933 16.796 0.067 1.00 0.00 O ATOM 0 H GLY A 19 -0.935 15.908 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.604 14.862 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.234 15.962 -2.187 1.00 0.00 H new ATOM 309 N LYS A 20 1.057 18.031 -0.082 1.00 0.00 N ATOM 310 CA LYS A 20 1.539 19.138 0.753 1.00 0.00 C ATOM 311 C LYS A 20 1.606 18.742 2.230 1.00 0.00 C ATOM 312 O LYS A 20 2.534 19.135 2.932 1.00 0.00 O ATOM 313 CB LYS A 20 0.640 20.365 0.540 1.00 0.00 C ATOM 314 CG LYS A 20 1.281 21.655 1.071 1.00 0.00 C ATOM 315 CD LYS A 20 0.389 22.869 0.768 1.00 0.00 C ATOM 316 CE LYS A 20 0.925 24.166 1.393 1.00 0.00 C ATOM 317 NZ LYS A 20 2.182 24.641 0.748 1.00 0.00 N ATOM 0 H LYS A 20 0.111 18.171 -0.437 1.00 0.00 H new ATOM 0 HA LYS A 20 2.556 19.388 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.429 20.478 -0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.315 20.204 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.439 21.573 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.261 21.795 0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.309 22.996 -0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.617 22.678 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.165 24.943 1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.106 24.004 2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.499 25.518 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.919 23.913 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.007 24.823 -0.261 1.00 0.00 H new ATOM 331 N ILE A 21 0.664 17.914 2.696 1.00 0.00 N ATOM 332 CA ILE A 21 0.638 17.409 4.074 1.00 0.00 C ATOM 333 C ILE A 21 1.820 16.473 4.301 1.00 0.00 C ATOM 334 O ILE A 21 2.457 16.546 5.344 1.00 0.00 O ATOM 335 CB ILE A 21 -0.713 16.734 4.405 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.848 17.789 4.400 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.690 15.966 5.738 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.251 17.194 4.224 1.00 0.00 C ATOM 0 H ILE A 21 -0.108 17.573 2.123 1.00 0.00 H new ATOM 0 HA ILE A 21 0.734 18.251 4.760 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.900 15.993 3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.816 18.347 5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.664 18.503 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.666 15.515 5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.069 15.185 5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.456 16.654 6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.990 17.996 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.304 16.660 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.458 16.503 5.041 1.00 0.00 H new ATOM 350 N VAL A 22 2.155 15.638 3.319 1.00 0.00 N ATOM 351 CA VAL A 22 3.270 14.686 3.403 1.00 0.00 C ATOM 352 C VAL A 22 4.630 15.363 3.236 1.00 0.00 C ATOM 353 O VAL A 22 5.553 15.046 3.984 1.00 0.00 O ATOM 354 CB VAL A 22 3.063 13.567 2.371 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.244 12.595 2.294 1.00 0.00 C ATOM 356 CG2 VAL A 22 1.783 12.780 2.707 1.00 0.00 C ATOM 0 H VAL A 22 1.656 15.600 2.430 1.00 0.00 H new ATOM 0 HA VAL A 22 3.275 14.253 4.403 1.00 0.00 H new ATOM 0 HB VAL A 22 2.977 14.051 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.036 11.828 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.146 13.140 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.392 12.124 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.640 11.987 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.876 12.342 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.926 13.453 2.686 1.00 0.00 H new ATOM 366 N GLU A 23 4.777 16.320 2.313 1.00 0.00 N ATOM 367 CA GLU A 23 6.077 16.966 2.071 1.00 0.00 C ATOM 368 C GLU A 23 6.455 17.997 3.148 1.00 0.00 C ATOM 369 O GLU A 23 7.643 18.245 3.377 1.00 0.00 O ATOM 370 CB GLU A 23 6.133 17.559 0.657 1.00 0.00 C ATOM 371 CG GLU A 23 5.472 18.936 0.518 1.00 0.00 C ATOM 372 CD GLU A 23 5.325 19.419 -0.942 1.00 0.00 C ATOM 373 OE1 GLU A 23 5.903 18.815 -1.880 1.00 0.00 O ATOM 374 OE2 GLU A 23 4.652 20.458 -1.158 1.00 0.00 O ATOM 0 H GLU A 23 4.019 16.664 1.724 1.00 0.00 H new ATOM 0 HA GLU A 23 6.835 16.186 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.176 17.638 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.650 16.867 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.485 18.902 0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.059 19.667 1.074 1.00 0.00 H new ATOM 381 N LYS A 24 5.452 18.560 3.844 1.00 0.00 N ATOM 382 CA LYS A 24 5.631 19.486 4.981 1.00 0.00 C ATOM 383 C LYS A 24 5.351 18.824 6.340 1.00 0.00 C ATOM 384 O LYS A 24 5.488 19.482 7.374 1.00 0.00 O ATOM 385 CB LYS A 24 4.758 20.742 4.784 1.00 0.00 C ATOM 386 CG LYS A 24 4.942 21.479 3.446 1.00 0.00 C ATOM 387 CD LYS A 24 6.369 21.960 3.146 1.00 0.00 C ATOM 388 CE LYS A 24 6.902 22.898 4.238 1.00 0.00 C ATOM 389 NZ LYS A 24 8.224 23.472 3.866 1.00 0.00 N ATOM 0 H LYS A 24 4.471 18.381 3.628 1.00 0.00 H new ATOM 0 HA LYS A 24 6.681 19.779 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.711 20.453 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.969 21.440 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.624 20.818 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.276 22.342 3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.030 21.098 3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.383 22.476 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.188 23.704 4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.993 22.351 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.555 24.101 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.910 22.703 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.131 24.014 2.983 1.00 0.00 H new ATOM 403 N ARG A 25 4.989 17.529 6.343 1.00 0.00 N ATOM 404 CA ARG A 25 4.629 16.713 7.528 1.00 0.00 C ATOM 405 C ARG A 25 3.616 17.423 8.444 1.00 0.00 C ATOM 406 O ARG A 25 3.843 17.588 9.645 1.00 0.00 O ATOM 407 CB ARG A 25 5.897 16.231 8.261 1.00 0.00 C ATOM 408 CG ARG A 25 6.858 15.434 7.352 1.00 0.00 C ATOM 409 CD ARG A 25 8.283 15.997 7.385 1.00 0.00 C ATOM 410 NE ARG A 25 9.010 15.594 8.607 1.00 0.00 N ATOM 411 CZ ARG A 25 10.188 16.041 9.010 1.00 0.00 C ATOM 412 NH1 ARG A 25 10.818 17.004 8.394 1.00 0.00 N ATOM 413 NH2 ARG A 25 10.768 15.517 10.052 1.00 0.00 N ATOM 0 H ARG A 25 4.935 16.991 5.478 1.00 0.00 H new ATOM 0 HA ARG A 25 4.109 15.820 7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.424 17.094 8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.606 15.608 9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.873 14.391 7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.485 15.451 6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.830 15.651 6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.244 17.085 7.328 1.00 0.00 H new ATOM 0 HE ARG A 25 8.557 14.900 9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.403 17.440 7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.725 17.321 8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.314 14.759 10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.676 15.865 10.359 1.00 0.00 H new ATOM 427 N ILE A 26 2.532 17.930 7.844 1.00 0.00 N ATOM 428 CA ILE A 26 1.516 18.749 8.526 1.00 0.00 C ATOM 429 C ILE A 26 0.743 17.872 9.522 1.00 0.00 C ATOM 430 O ILE A 26 0.140 16.864 9.149 1.00 0.00 O ATOM 431 CB ILE A 26 0.570 19.462 7.526 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.387 20.280 6.497 1.00 0.00 C ATOM 433 CG2 ILE A 26 -0.423 20.372 8.275 1.00 0.00 C ATOM 434 CD1 ILE A 26 0.561 20.994 5.419 1.00 0.00 C ATOM 0 H ILE A 26 2.331 17.782 6.855 1.00 0.00 H new ATOM 0 HA ILE A 26 2.021 19.545 9.074 1.00 0.00 H new ATOM 0 HB ILE A 26 0.001 18.703 6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.974 21.025 7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.094 19.611 6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.079 20.864 7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.021 19.771 8.960 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.128 21.125 8.839 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.228 21.537 4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.005 20.258 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.127 21.694 5.892 1.00 0.00 H new ATOM 446 N GLU A 27 0.780 18.250 10.800 1.00 0.00 N ATOM 447 CA GLU A 27 0.068 17.568 11.889 1.00 0.00 C ATOM 448 C GLU A 27 -1.418 17.953 11.889 1.00 0.00 C ATOM 449 O GLU A 27 -1.779 19.079 12.247 1.00 0.00 O ATOM 450 CB GLU A 27 0.735 17.894 13.236 1.00 0.00 C ATOM 451 CG GLU A 27 2.041 17.106 13.414 1.00 0.00 C ATOM 452 CD GLU A 27 2.823 17.559 14.661 1.00 0.00 C ATOM 453 OE1 GLU A 27 2.279 17.490 15.791 1.00 0.00 O ATOM 454 OE2 GLU A 27 4.000 17.976 14.529 1.00 0.00 O ATOM 0 H GLU A 27 1.317 19.057 11.117 1.00 0.00 H new ATOM 0 HA GLU A 27 0.126 16.491 11.733 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.941 18.963 13.293 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.050 17.657 14.051 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.815 16.043 13.494 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.665 17.233 12.529 1.00 0.00 H new ATOM 461 N CYS A 28 -2.281 17.014 11.483 1.00 0.00 N ATOM 462 CA CYS A 28 -3.727 17.226 11.382 1.00 0.00 C ATOM 463 C CYS A 28 -4.552 15.960 11.661 1.00 0.00 C ATOM 464 O CYS A 28 -4.043 14.836 11.694 1.00 0.00 O ATOM 465 CB CYS A 28 -4.059 17.834 10.002 1.00 0.00 C ATOM 466 SG CYS A 28 -3.501 16.777 8.627 1.00 0.00 S ATOM 0 H CYS A 28 -1.990 16.075 11.212 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.014 17.927 12.166 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.135 17.988 9.925 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.590 18.814 9.917 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.809 17.338 7.496 1.00 0.00 H new ATOM 472 N THR A 29 -5.855 16.164 11.848 1.00 0.00 N ATOM 473 CA THR A 29 -6.859 15.112 12.084 1.00 0.00 C ATOM 474 C THR A 29 -7.584 14.782 10.776 1.00 0.00 C ATOM 475 O THR A 29 -7.803 15.674 9.956 1.00 0.00 O ATOM 476 CB THR A 29 -7.902 15.577 13.123 1.00 0.00 C ATOM 477 OG1 THR A 29 -7.397 16.551 14.016 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.462 14.451 13.981 1.00 0.00 C ATOM 0 H THR A 29 -6.262 17.099 11.840 1.00 0.00 H new ATOM 0 HA THR A 29 -6.343 14.229 12.461 1.00 0.00 H new ATOM 0 HB THR A 29 -8.693 15.996 12.502 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.099 16.810 14.649 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.188 14.857 14.686 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.950 13.715 13.342 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.650 13.974 14.530 1.00 0.00 H new ATOM 486 N VAL A 30 -8.008 13.528 10.603 1.00 0.00 N ATOM 487 CA VAL A 30 -8.685 12.996 9.398 1.00 0.00 C ATOM 488 C VAL A 30 -9.978 12.263 9.775 1.00 0.00 C ATOM 489 O VAL A 30 -10.220 12.017 10.957 1.00 0.00 O ATOM 490 CB VAL A 30 -7.751 12.077 8.572 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.430 12.772 8.237 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.447 10.729 9.241 1.00 0.00 C ATOM 0 H VAL A 30 -7.888 12.818 11.325 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.944 13.847 8.769 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.309 11.871 7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.801 12.097 7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.630 13.672 7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.917 13.043 9.160 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.787 10.145 8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.961 10.901 10.201 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.377 10.183 9.398 1.00 0.00 H new ATOM 502 N TYR A 31 -10.783 11.882 8.779 1.00 0.00 N ATOM 503 CA TYR A 31 -12.089 11.228 8.941 1.00 0.00 C ATOM 504 C TYR A 31 -12.048 9.813 8.365 1.00 0.00 C ATOM 505 O TYR A 31 -11.456 9.587 7.309 1.00 0.00 O ATOM 506 CB TYR A 31 -13.201 12.025 8.233 1.00 0.00 C ATOM 507 CG TYR A 31 -13.510 13.399 8.804 1.00 0.00 C ATOM 508 CD1 TYR A 31 -12.631 14.479 8.592 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.712 13.600 9.509 1.00 0.00 C ATOM 510 CE1 TYR A 31 -12.940 15.752 9.114 1.00 0.00 C ATOM 511 CE2 TYR A 31 -15.043 14.879 9.997 1.00 0.00 C ATOM 512 CZ TYR A 31 -14.155 15.959 9.800 1.00 0.00 C ATOM 513 OH TYR A 31 -14.472 17.203 10.250 1.00 0.00 O ATOM 0 H TYR A 31 -10.535 12.025 7.800 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.307 11.187 10.008 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -12.923 12.144 7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.115 11.431 8.255 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.721 14.332 8.030 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.383 12.770 9.676 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.246 16.570 8.988 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.975 15.033 10.521 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.342 17.176 10.700 1.00 0.00 H new ATOM 523 N SER A 32 -12.686 8.868 9.053 1.00 0.00 N ATOM 524 CA SER A 32 -12.676 7.436 8.725 1.00 0.00 C ATOM 525 C SER A 32 -13.914 6.740 9.302 1.00 0.00 C ATOM 526 O SER A 32 -14.440 7.167 10.328 1.00 0.00 O ATOM 527 CB SER A 32 -11.402 6.827 9.324 1.00 0.00 C ATOM 528 OG SER A 32 -11.375 5.411 9.245 1.00 0.00 O ATOM 0 H SER A 32 -13.243 9.080 9.881 1.00 0.00 H new ATOM 0 HA SER A 32 -12.694 7.301 7.644 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.533 7.231 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.318 7.129 10.368 1.00 0.00 H new ATOM 0 HG SER A 32 -10.542 5.077 9.639 1.00 0.00 H new ATOM 534 N VAL A 33 -14.367 5.654 8.669 1.00 0.00 N ATOM 535 CA VAL A 33 -15.461 4.813 9.190 1.00 0.00 C ATOM 536 C VAL A 33 -14.889 3.709 10.091 1.00 0.00 C ATOM 537 O VAL A 33 -13.966 2.991 9.697 1.00 0.00 O ATOM 538 CB VAL A 33 -16.325 4.191 8.067 1.00 0.00 C ATOM 539 CG1 VAL A 33 -17.741 3.993 8.601 1.00 0.00 C ATOM 540 CG2 VAL A 33 -16.431 5.039 6.790 1.00 0.00 C ATOM 0 H VAL A 33 -13.988 5.329 7.780 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.116 5.462 9.770 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.830 3.260 7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.366 3.555 7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.715 3.327 9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.155 4.956 8.899 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -17.055 4.522 6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -16.877 6.004 7.030 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.436 5.193 6.372 1.00 0.00 H new ATOM 550 N ASP A 34 -15.419 3.574 11.309 1.00 0.00 N ATOM 551 CA ASP A 34 -15.071 2.506 12.257 1.00 0.00 C ATOM 552 C ASP A 34 -15.596 1.129 11.789 1.00 0.00 C ATOM 553 O ASP A 34 -16.373 1.011 10.836 1.00 0.00 O ATOM 554 CB ASP A 34 -15.610 2.866 13.660 1.00 0.00 C ATOM 555 CG ASP A 34 -14.707 2.384 14.816 1.00 0.00 C ATOM 556 OD1 ASP A 34 -14.480 1.158 14.946 1.00 0.00 O ATOM 557 OD2 ASP A 34 -14.247 3.224 15.627 1.00 0.00 O ATOM 0 H ASP A 34 -16.120 4.219 11.675 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.985 2.425 12.304 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.726 3.948 13.728 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.602 2.431 13.781 1.00 0.00 H new ATOM 562 N ASN A 35 -15.222 0.076 12.515 1.00 0.00 N ATOM 563 CA ASN A 35 -15.660 -1.310 12.291 1.00 0.00 C ATOM 564 C ASN A 35 -17.185 -1.504 12.454 1.00 0.00 C ATOM 565 O ASN A 35 -17.764 -2.408 11.844 1.00 0.00 O ATOM 566 CB ASN A 35 -14.884 -2.232 13.251 1.00 0.00 C ATOM 567 CG ASN A 35 -13.429 -2.399 12.845 1.00 0.00 C ATOM 568 OD1 ASN A 35 -13.110 -2.993 11.823 1.00 0.00 O ATOM 569 ND2 ASN A 35 -12.497 -1.895 13.625 1.00 0.00 N ATOM 0 H ASN A 35 -14.583 0.163 13.305 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.442 -1.567 11.254 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.932 -1.824 14.261 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.365 -3.210 13.279 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.513 -2.000 13.377 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.758 -1.399 14.477 1.00 0.00 H new ATOM 576 N ASN A 36 -17.842 -0.643 13.242 1.00 0.00 N ATOM 577 CA ASN A 36 -19.299 -0.608 13.425 1.00 0.00 C ATOM 578 C ASN A 36 -20.033 0.241 12.357 1.00 0.00 C ATOM 579 O ASN A 36 -21.264 0.329 12.378 1.00 0.00 O ATOM 580 CB ASN A 36 -19.590 -0.102 14.851 1.00 0.00 C ATOM 581 CG ASN A 36 -19.204 -1.123 15.913 1.00 0.00 C ATOM 582 OD1 ASN A 36 -19.892 -2.114 16.128 1.00 0.00 O ATOM 583 ND2 ASN A 36 -18.108 -0.926 16.609 1.00 0.00 N ATOM 0 H ASN A 36 -17.359 0.071 13.787 1.00 0.00 H new ATOM 0 HA ASN A 36 -19.689 -1.617 13.293 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -19.043 0.825 15.025 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -20.651 0.132 14.942 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -17.832 -1.597 17.326 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -17.533 -0.102 16.433 1.00 0.00 H new ATOM 590 N GLY A 37 -19.302 0.881 11.436 1.00 0.00 N ATOM 591 CA GLY A 37 -19.857 1.728 10.371 1.00 0.00 C ATOM 592 C GLY A 37 -20.217 3.159 10.806 1.00 0.00 C ATOM 593 O GLY A 37 -21.040 3.810 10.158 1.00 0.00 O ATOM 0 H GLY A 37 -18.284 0.823 11.409 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.135 1.782 9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.751 1.248 9.974 1.00 0.00 H new ATOM 597 N ASN A 38 -19.609 3.656 11.891 1.00 0.00 N ATOM 598 CA ASN A 38 -19.737 5.040 12.363 1.00 0.00 C ATOM 599 C ASN A 38 -18.515 5.860 11.923 1.00 0.00 C ATOM 600 O ASN A 38 -17.379 5.444 12.149 1.00 0.00 O ATOM 601 CB ASN A 38 -19.858 5.043 13.898 1.00 0.00 C ATOM 602 CG ASN A 38 -21.204 4.528 14.376 1.00 0.00 C ATOM 603 OD1 ASN A 38 -22.197 5.245 14.394 1.00 0.00 O ATOM 604 ND2 ASN A 38 -21.291 3.280 14.780 1.00 0.00 N ATOM 0 H ASN A 38 -18.998 3.091 12.480 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.630 5.492 11.931 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.065 4.427 14.323 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.708 6.057 14.269 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.184 2.911 15.107 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.466 2.681 14.766 1.00 0.00 H new ATOM 611 N ILE A 39 -18.725 7.029 11.314 1.00 0.00 N ATOM 612 CA ILE A 39 -17.647 7.967 10.991 1.00 0.00 C ATOM 613 C ILE A 39 -17.123 8.575 12.298 1.00 0.00 C ATOM 614 O ILE A 39 -17.894 9.083 13.120 1.00 0.00 O ATOM 615 CB ILE A 39 -18.113 9.070 10.019 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.795 8.461 8.774 1.00 0.00 C ATOM 617 CG2 ILE A 39 -16.913 9.937 9.587 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.370 9.529 7.846 1.00 0.00 C ATOM 0 H ILE A 39 -19.650 7.353 11.030 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.848 7.426 10.484 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.841 9.693 10.538 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.072 7.858 8.225 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.594 7.791 9.092 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.253 10.713 8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.464 10.401 10.465 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.172 9.311 9.089 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.838 9.050 6.986 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.114 10.116 8.384 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.569 10.184 7.504 1.00 0.00 H new ATOM 630 N TYR A 40 -15.807 8.554 12.458 1.00 0.00 N ATOM 631 CA TYR A 40 -15.073 9.184 13.555 1.00 0.00 C ATOM 632 C TYR A 40 -13.855 9.960 13.027 1.00 0.00 C ATOM 633 O TYR A 40 -13.490 9.853 11.851 1.00 0.00 O ATOM 634 CB TYR A 40 -14.699 8.123 14.607 1.00 0.00 C ATOM 635 CG TYR A 40 -13.565 7.179 14.234 1.00 0.00 C ATOM 636 CD1 TYR A 40 -13.783 6.106 13.346 1.00 0.00 C ATOM 637 CD2 TYR A 40 -12.291 7.357 14.814 1.00 0.00 C ATOM 638 CE1 TYR A 40 -12.727 5.237 13.011 1.00 0.00 C ATOM 639 CE2 TYR A 40 -11.242 6.473 14.501 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.455 5.418 13.587 1.00 0.00 C ATOM 641 OH TYR A 40 -10.438 4.580 13.255 1.00 0.00 O ATOM 0 H TYR A 40 -15.191 8.077 11.799 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.710 9.919 14.046 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.429 8.636 15.530 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.585 7.526 14.822 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.764 5.950 12.921 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.121 8.174 15.500 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.893 4.431 12.312 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.273 6.602 14.960 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.580 5.018 13.437 1.00 0.00 H new ATOM 651 N THR A 41 -13.224 10.753 13.898 1.00 0.00 N ATOM 652 CA THR A 41 -12.030 11.551 13.569 1.00 0.00 C ATOM 653 C THR A 41 -10.834 11.159 14.433 1.00 0.00 C ATOM 654 O THR A 41 -10.974 10.863 15.623 1.00 0.00 O ATOM 655 CB THR A 41 -12.277 13.069 13.660 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.979 13.434 14.832 1.00 0.00 O ATOM 657 CG2 THR A 41 -13.071 13.586 12.464 1.00 0.00 C ATOM 0 H THR A 41 -13.529 10.863 14.865 1.00 0.00 H new ATOM 0 HA THR A 41 -11.800 11.322 12.528 1.00 0.00 H new ATOM 0 HB THR A 41 -11.284 13.519 13.676 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.110 14.405 14.846 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.224 14.660 12.566 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.519 13.384 11.546 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.038 13.084 12.425 1.00 0.00 H new ATOM 665 N GLN A 42 -9.649 11.130 13.815 1.00 0.00 N ATOM 666 CA GLN A 42 -8.410 10.631 14.424 1.00 0.00 C ATOM 667 C GLN A 42 -7.156 11.342 13.874 1.00 0.00 C ATOM 668 O GLN A 42 -7.156 11.746 12.708 1.00 0.00 O ATOM 669 CB GLN A 42 -8.333 9.108 14.206 1.00 0.00 C ATOM 670 CG GLN A 42 -8.275 8.666 12.729 1.00 0.00 C ATOM 671 CD GLN A 42 -8.427 7.150 12.571 1.00 0.00 C ATOM 672 OE1 GLN A 42 -8.189 6.354 13.472 1.00 0.00 O ATOM 673 NE2 GLN A 42 -8.835 6.688 11.408 1.00 0.00 N ATOM 0 H GLN A 42 -9.521 11.459 12.858 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.432 10.851 15.491 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.451 8.726 14.719 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.201 8.644 14.675 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.064 9.169 12.170 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.326 8.981 12.294 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.038 7.334 10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.948 5.684 11.269 1.00 0.00 H new ATOM 682 N PRO A 43 -6.096 11.533 14.680 1.00 0.00 N ATOM 683 CA PRO A 43 -4.877 12.219 14.249 1.00 0.00 C ATOM 684 C PRO A 43 -4.026 11.369 13.293 1.00 0.00 C ATOM 685 O PRO A 43 -3.993 10.137 13.388 1.00 0.00 O ATOM 686 CB PRO A 43 -4.117 12.532 15.543 1.00 0.00 C ATOM 687 CG PRO A 43 -4.556 11.424 16.497 1.00 0.00 C ATOM 688 CD PRO A 43 -6.003 11.163 16.087 1.00 0.00 C ATOM 0 HA PRO A 43 -5.115 13.118 13.681 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.038 12.522 15.386 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.374 13.518 15.930 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.940 10.532 16.388 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.483 11.737 17.539 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.267 10.116 16.233 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.692 11.753 16.692 1.00 0.00 H new ATOM 696 N VAL A 44 -3.296 12.035 12.392 1.00 0.00 N ATOM 697 CA VAL A 44 -2.248 11.410 11.563 1.00 0.00 C ATOM 698 C VAL A 44 -1.178 10.759 12.453 1.00 0.00 C ATOM 699 O VAL A 44 -0.757 11.336 13.461 1.00 0.00 O ATOM 700 CB VAL A 44 -1.647 12.436 10.578 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.877 13.581 11.250 1.00 0.00 C ATOM 702 CG2 VAL A 44 -0.722 11.764 9.558 1.00 0.00 C ATOM 0 H VAL A 44 -3.413 13.032 12.213 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.695 10.618 10.963 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.515 12.869 10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.488 14.255 10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.546 14.130 11.913 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.049 13.172 11.829 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.318 12.517 8.882 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.097 11.269 10.080 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.286 11.027 8.986 1.00 0.00 H new ATOM 712 N ALA A 45 -0.734 9.550 12.093 1.00 0.00 N ATOM 713 CA ALA A 45 0.341 8.852 12.801 1.00 0.00 C ATOM 714 C ALA A 45 1.715 9.173 12.192 1.00 0.00 C ATOM 715 O ALA A 45 2.634 9.560 12.914 1.00 0.00 O ATOM 716 CB ALA A 45 0.061 7.345 12.769 1.00 0.00 C ATOM 0 H ALA A 45 -1.111 9.029 11.302 1.00 0.00 H new ATOM 0 HA ALA A 45 0.367 9.194 13.836 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.856 6.816 13.294 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.893 7.142 13.256 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.020 7.004 11.734 1.00 0.00 H new ATOM 722 N GLN A 46 1.840 9.034 10.867 1.00 0.00 N ATOM 723 CA GLN A 46 3.064 9.256 10.087 1.00 0.00 C ATOM 724 C GLN A 46 2.732 9.733 8.661 1.00 0.00 C ATOM 725 O GLN A 46 1.577 9.721 8.228 1.00 0.00 O ATOM 726 CB GLN A 46 3.895 7.954 10.009 1.00 0.00 C ATOM 727 CG GLN A 46 4.506 7.469 11.334 1.00 0.00 C ATOM 728 CD GLN A 46 5.454 8.469 12.002 1.00 0.00 C ATOM 729 OE1 GLN A 46 6.138 9.263 11.364 1.00 0.00 O ATOM 730 NE2 GLN A 46 5.552 8.456 13.316 1.00 0.00 N ATOM 0 H GLN A 46 1.054 8.750 10.282 1.00 0.00 H new ATOM 0 HA GLN A 46 3.643 10.029 10.591 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.259 7.163 9.613 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.702 8.103 9.292 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.698 7.235 12.027 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.048 6.541 11.151 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.991 7.803 13.863 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.189 9.099 13.786 1.00 0.00 H new ATOM 739 N TRP A 47 3.772 10.093 7.908 1.00 0.00 N ATOM 740 CA TRP A 47 3.698 10.570 6.526 1.00 0.00 C ATOM 741 C TRP A 47 4.683 9.768 5.668 1.00 0.00 C ATOM 742 O TRP A 47 5.851 9.618 6.041 1.00 0.00 O ATOM 743 CB TRP A 47 4.044 12.068 6.470 1.00 0.00 C ATOM 744 CG TRP A 47 3.249 12.976 7.358 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.216 13.760 6.976 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.431 13.228 8.785 1.00 0.00 C ATOM 747 NE1 TRP A 47 1.740 14.474 8.057 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.447 14.172 9.204 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.333 12.757 9.767 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.357 14.610 10.532 1.00 0.00 C ATOM 751 CZ3 TRP A 47 4.233 13.177 11.108 1.00 0.00 C ATOM 752 CH2 TRP A 47 3.245 14.099 11.491 1.00 0.00 C ATOM 0 H TRP A 47 4.729 10.059 8.259 1.00 0.00 H new ATOM 0 HA TRP A 47 2.687 10.433 6.143 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.098 12.183 6.722 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.923 12.407 5.441 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.821 13.819 5.972 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.967 15.138 8.014 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.111 12.064 9.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.609 15.336 10.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.920 12.788 11.845 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.169 14.414 12.521 1.00 0.00 H new ATOM 763 N HIS A 48 4.224 9.268 4.520 1.00 0.00 N ATOM 764 CA HIS A 48 5.015 8.421 3.625 1.00 0.00 C ATOM 765 C HIS A 48 4.946 8.943 2.180 1.00 0.00 C ATOM 766 O HIS A 48 3.894 9.347 1.676 1.00 0.00 O ATOM 767 CB HIS A 48 4.525 6.967 3.692 1.00 0.00 C ATOM 768 CG HIS A 48 4.251 6.407 5.072 1.00 0.00 C ATOM 769 ND1 HIS A 48 5.148 5.767 5.899 1.00 0.00 N ATOM 770 CD2 HIS A 48 3.035 6.376 5.703 1.00 0.00 C ATOM 771 CE1 HIS A 48 4.490 5.365 7.002 1.00 0.00 C ATOM 772 NE2 HIS A 48 3.194 5.718 6.932 1.00 0.00 N ATOM 0 H HIS A 48 3.278 9.442 4.180 1.00 0.00 H new ATOM 0 HA HIS A 48 6.054 8.454 3.952 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.610 6.888 3.105 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.269 6.334 3.209 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.113 6.787 5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.940 4.833 7.828 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.472 5.543 7.631 1.00 0.00 H new ATOM 780 N ASP A 49 6.090 8.918 1.498 1.00 0.00 N ATOM 781 CA ASP A 49 6.278 9.473 0.156 1.00 0.00 C ATOM 782 C ASP A 49 6.919 8.434 -0.780 1.00 0.00 C ATOM 783 O ASP A 49 7.994 7.886 -0.518 1.00 0.00 O ATOM 784 CB ASP A 49 7.052 10.805 0.205 1.00 0.00 C ATOM 785 CG ASP A 49 8.181 10.888 1.254 1.00 0.00 C ATOM 786 OD1 ASP A 49 9.157 10.101 1.197 1.00 0.00 O ATOM 787 OD2 ASP A 49 8.121 11.782 2.132 1.00 0.00 O ATOM 0 H ASP A 49 6.939 8.498 1.875 1.00 0.00 H new ATOM 0 HA ASP A 49 5.300 9.708 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.482 10.990 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.342 11.609 0.399 1.00 0.00 H new ATOM 792 N ARG A 50 6.209 8.129 -1.872 1.00 0.00 N ATOM 793 CA ARG A 50 6.588 7.088 -2.842 1.00 0.00 C ATOM 794 C ARG A 50 7.540 7.609 -3.920 1.00 0.00 C ATOM 795 O ARG A 50 8.400 6.872 -4.402 1.00 0.00 O ATOM 796 CB ARG A 50 5.319 6.557 -3.508 1.00 0.00 C ATOM 797 CG ARG A 50 4.263 6.007 -2.529 1.00 0.00 C ATOM 798 CD ARG A 50 4.754 4.860 -1.633 1.00 0.00 C ATOM 799 NE ARG A 50 5.277 3.721 -2.415 1.00 0.00 N ATOM 800 CZ ARG A 50 5.694 2.560 -1.952 1.00 0.00 C ATOM 801 NH1 ARG A 50 5.680 2.266 -0.682 1.00 0.00 N ATOM 802 NH2 ARG A 50 6.129 1.661 -2.786 1.00 0.00 N ATOM 0 H ARG A 50 5.340 8.605 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 50 7.111 6.300 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.869 7.358 -4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.594 5.767 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.916 6.823 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.403 5.660 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.535 5.230 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.933 4.518 -1.002 1.00 0.00 H new ATOM 0 HE ARG A 50 5.320 3.847 -3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.337 2.947 -0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.012 1.355 -0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.145 1.859 -3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.454 0.759 -2.439 1.00 0.00 H new ATOM 816 N GLY A 51 7.365 8.875 -4.302 1.00 0.00 N ATOM 817 CA GLY A 51 8.255 9.619 -5.197 1.00 0.00 C ATOM 818 C GLY A 51 7.889 9.553 -6.681 1.00 0.00 C ATOM 819 O GLY A 51 7.895 10.587 -7.347 1.00 0.00 O ATOM 0 H GLY A 51 6.571 9.431 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.265 10.664 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.269 9.240 -5.072 1.00 0.00 H new ATOM 823 N GLU A 52 7.559 8.363 -7.207 1.00 0.00 N ATOM 824 CA GLU A 52 7.424 8.132 -8.661 1.00 0.00 C ATOM 825 C GLU A 52 6.906 6.735 -9.041 1.00 0.00 C ATOM 826 O GLU A 52 7.652 5.783 -9.282 1.00 0.00 O ATOM 827 CB GLU A 52 8.734 8.427 -9.410 1.00 0.00 C ATOM 828 CG GLU A 52 9.987 7.706 -8.881 1.00 0.00 C ATOM 829 CD GLU A 52 11.265 8.238 -9.550 1.00 0.00 C ATOM 830 OE1 GLU A 52 11.508 7.921 -10.741 1.00 0.00 O ATOM 831 OE2 GLU A 52 12.049 8.962 -8.887 1.00 0.00 O ATOM 0 H GLU A 52 7.378 7.534 -6.642 1.00 0.00 H new ATOM 0 HA GLU A 52 6.658 8.840 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.599 8.159 -10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.915 9.501 -9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.057 7.840 -7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.897 6.635 -9.064 1.00 0.00 H new ATOM 838 N GLN A 53 5.588 6.622 -9.116 1.00 0.00 N ATOM 839 CA GLN A 53 4.886 5.394 -9.510 1.00 0.00 C ATOM 840 C GLN A 53 3.878 5.620 -10.646 1.00 0.00 C ATOM 841 O GLN A 53 3.503 6.749 -10.954 1.00 0.00 O ATOM 842 CB GLN A 53 4.216 4.804 -8.267 1.00 0.00 C ATOM 843 CG GLN A 53 5.246 4.623 -7.139 1.00 0.00 C ATOM 844 CD GLN A 53 4.695 3.954 -5.907 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.322 3.118 -5.268 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.568 4.418 -5.422 1.00 0.00 N ATOM 0 H GLN A 53 4.957 7.394 -8.901 1.00 0.00 H new ATOM 0 HA GLN A 53 5.613 4.688 -9.912 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.412 5.460 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.762 3.844 -8.512 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.083 4.035 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.642 5.600 -6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.036 5.114 -5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.223 4.082 -4.523 1.00 0.00 H new ATOM 855 N GLU A 54 3.460 4.531 -11.292 1.00 0.00 N ATOM 856 CA GLU A 54 2.518 4.528 -12.420 1.00 0.00 C ATOM 857 C GLU A 54 1.092 4.952 -12.007 1.00 0.00 C ATOM 858 O GLU A 54 0.348 4.183 -11.393 1.00 0.00 O ATOM 859 CB GLU A 54 2.563 3.166 -13.147 1.00 0.00 C ATOM 860 CG GLU A 54 2.461 1.907 -12.262 1.00 0.00 C ATOM 861 CD GLU A 54 2.586 0.588 -13.060 1.00 0.00 C ATOM 862 OE1 GLU A 54 3.095 0.579 -14.207 1.00 0.00 O ATOM 863 OE2 GLU A 54 2.200 -0.478 -12.521 1.00 0.00 O ATOM 0 H GLU A 54 3.776 3.595 -11.039 1.00 0.00 H new ATOM 0 HA GLU A 54 2.837 5.290 -13.131 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.749 3.140 -13.872 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.494 3.111 -13.711 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.243 1.940 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.506 1.917 -11.737 1.00 0.00 H new ATOM 870 N VAL A 55 0.715 6.193 -12.334 1.00 0.00 N ATOM 871 CA VAL A 55 -0.578 6.812 -11.990 1.00 0.00 C ATOM 872 C VAL A 55 -1.569 6.690 -13.148 1.00 0.00 C ATOM 873 O VAL A 55 -1.234 6.920 -14.313 1.00 0.00 O ATOM 874 CB VAL A 55 -0.404 8.300 -11.611 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.691 8.915 -11.049 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.655 8.477 -10.522 1.00 0.00 C ATOM 0 H VAL A 55 1.321 6.819 -12.864 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.973 6.276 -11.127 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.115 8.796 -12.538 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.515 9.961 -10.798 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.482 8.849 -11.796 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.992 8.373 -10.153 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.753 9.535 -10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.356 7.926 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.612 8.097 -10.880 1.00 0.00 H new ATOM 886 N PHE A 56 -2.823 6.398 -12.810 1.00 0.00 N ATOM 887 CA PHE A 56 -3.933 6.223 -13.741 1.00 0.00 C ATOM 888 C PHE A 56 -5.069 7.194 -13.391 1.00 0.00 C ATOM 889 O PHE A 56 -5.345 7.479 -12.223 1.00 0.00 O ATOM 890 CB PHE A 56 -4.404 4.761 -13.696 1.00 0.00 C ATOM 891 CG PHE A 56 -3.365 3.759 -14.177 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.331 3.344 -13.318 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.412 3.263 -15.493 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.334 2.466 -13.778 1.00 0.00 C ATOM 895 CE2 PHE A 56 -2.419 2.375 -15.950 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.374 1.984 -15.096 1.00 0.00 C ATOM 0 H PHE A 56 -3.104 6.272 -11.838 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.609 6.449 -14.757 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.686 4.513 -12.673 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.301 4.660 -14.307 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.303 3.702 -12.299 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.211 3.564 -16.154 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.536 2.162 -13.117 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.461 1.994 -16.960 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.604 1.315 -15.452 1.00 0.00 H new ATOM 906 N GLU A 57 -5.719 7.722 -14.426 1.00 0.00 N ATOM 907 CA GLU A 57 -6.893 8.580 -14.294 1.00 0.00 C ATOM 908 C GLU A 57 -8.070 7.786 -13.711 1.00 0.00 C ATOM 909 O GLU A 57 -8.402 6.700 -14.200 1.00 0.00 O ATOM 910 CB GLU A 57 -7.247 9.157 -15.674 1.00 0.00 C ATOM 911 CG GLU A 57 -8.198 10.354 -15.566 1.00 0.00 C ATOM 912 CD GLU A 57 -8.382 11.024 -16.941 1.00 0.00 C ATOM 913 OE1 GLU A 57 -9.121 10.477 -17.795 1.00 0.00 O ATOM 914 OE2 GLU A 57 -7.785 12.103 -17.176 1.00 0.00 O ATOM 0 H GLU A 57 -5.440 7.563 -15.394 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.676 9.400 -13.610 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.334 9.464 -16.184 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.708 8.381 -16.285 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.164 10.025 -15.183 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.802 11.077 -14.853 1.00 0.00 H new ATOM 921 N TYR A 58 -8.718 8.348 -12.692 1.00 0.00 N ATOM 922 CA TYR A 58 -9.871 7.775 -12.017 1.00 0.00 C ATOM 923 C TYR A 58 -11.017 8.799 -12.058 1.00 0.00 C ATOM 924 O TYR A 58 -11.179 9.646 -11.176 1.00 0.00 O ATOM 925 CB TYR A 58 -9.447 7.292 -10.616 1.00 0.00 C ATOM 926 CG TYR A 58 -10.559 6.888 -9.668 1.00 0.00 C ATOM 927 CD1 TYR A 58 -11.792 6.432 -10.170 1.00 0.00 C ATOM 928 CD2 TYR A 58 -10.341 6.918 -8.273 1.00 0.00 C ATOM 929 CE1 TYR A 58 -12.808 6.046 -9.289 1.00 0.00 C ATOM 930 CE2 TYR A 58 -11.372 6.555 -7.385 1.00 0.00 C ATOM 931 CZ TYR A 58 -12.618 6.140 -7.900 1.00 0.00 C ATOM 932 OH TYR A 58 -13.649 5.834 -7.077 1.00 0.00 O ATOM 0 H TYR A 58 -8.440 9.249 -12.303 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.256 6.885 -12.515 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.778 6.440 -10.738 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.869 8.086 -10.143 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.954 6.380 -11.236 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.379 7.221 -7.885 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.744 5.674 -9.679 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.210 6.594 -6.318 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.219 5.160 -7.503 1.00 0.00 H new ATOM 942 N CYS A 59 -11.786 8.752 -13.149 1.00 0.00 N ATOM 943 CA CYS A 59 -12.982 9.572 -13.342 1.00 0.00 C ATOM 944 C CYS A 59 -14.242 8.798 -12.925 1.00 0.00 C ATOM 945 O CYS A 59 -14.339 7.586 -13.137 1.00 0.00 O ATOM 946 CB CYS A 59 -13.049 9.979 -14.822 1.00 0.00 C ATOM 947 SG CYS A 59 -14.328 11.247 -15.082 1.00 0.00 S ATOM 0 H CYS A 59 -11.591 8.132 -13.935 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.931 10.464 -12.717 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.080 10.361 -15.144 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.266 9.105 -15.435 1.00 0.00 H new ATOM 0 HG CYS A 59 -15.446 10.851 -14.549 1.00 0.00 H new ATOM 953 N LEU A 60 -15.239 9.507 -12.395 1.00 0.00 N ATOM 954 CA LEU A 60 -16.542 8.960 -12.002 1.00 0.00 C ATOM 955 C LEU A 60 -17.677 9.447 -12.910 1.00 0.00 C ATOM 956 O LEU A 60 -17.544 10.429 -13.639 1.00 0.00 O ATOM 957 CB LEU A 60 -16.821 9.336 -10.534 1.00 0.00 C ATOM 958 CG LEU A 60 -16.975 8.144 -9.578 1.00 0.00 C ATOM 959 CD1 LEU A 60 -15.751 7.248 -9.529 1.00 0.00 C ATOM 960 CD2 LEU A 60 -17.195 8.648 -8.162 1.00 0.00 C ATOM 0 H LEU A 60 -15.162 10.509 -12.221 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.504 7.876 -12.109 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.008 9.968 -10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.731 9.934 -10.494 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.820 7.570 -9.957 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.929 6.427 -8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.554 6.846 -10.523 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.890 7.826 -9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.304 7.799 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.341 9.250 -7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.099 9.256 -8.129 1.00 0.00 H new ATOM 972 N GLU A 61 -18.817 8.761 -12.821 1.00 0.00 N ATOM 973 CA GLU A 61 -20.010 9.011 -13.650 1.00 0.00 C ATOM 974 C GLU A 61 -20.677 10.376 -13.365 1.00 0.00 C ATOM 975 O GLU A 61 -21.351 10.938 -14.231 1.00 0.00 O ATOM 976 CB GLU A 61 -21.015 7.869 -13.422 1.00 0.00 C ATOM 977 CG GLU A 61 -20.528 6.476 -13.868 1.00 0.00 C ATOM 978 CD GLU A 61 -20.683 6.209 -15.382 1.00 0.00 C ATOM 979 OE1 GLU A 61 -20.528 7.138 -16.211 1.00 0.00 O ATOM 980 OE2 GLU A 61 -20.957 5.041 -15.755 1.00 0.00 O ATOM 0 H GLU A 61 -18.946 7.997 -12.157 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.689 9.045 -14.691 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.262 7.829 -12.361 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -21.936 8.104 -13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -19.478 6.366 -13.596 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -21.082 5.716 -13.317 1.00 0.00 H new ATOM 987 N ASP A 62 -20.461 10.931 -12.168 1.00 0.00 N ATOM 988 CA ASP A 62 -20.872 12.292 -11.778 1.00 0.00 C ATOM 989 C ASP A 62 -19.930 13.386 -12.326 1.00 0.00 C ATOM 990 O ASP A 62 -20.339 14.540 -12.474 1.00 0.00 O ATOM 991 CB ASP A 62 -20.929 12.357 -10.243 1.00 0.00 C ATOM 992 CG ASP A 62 -21.266 13.754 -9.699 1.00 0.00 C ATOM 993 OD1 ASP A 62 -22.433 14.196 -9.836 1.00 0.00 O ATOM 994 OD2 ASP A 62 -20.372 14.391 -9.091 1.00 0.00 O ATOM 0 H ASP A 62 -19.981 10.434 -11.418 1.00 0.00 H new ATOM 0 HA ASP A 62 -21.851 12.490 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.675 11.647 -9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -19.968 12.041 -9.838 1.00 0.00 H new ATOM 999 N GLY A 63 -18.674 13.034 -12.632 1.00 0.00 N ATOM 1000 CA GLY A 63 -17.643 13.956 -13.131 1.00 0.00 C ATOM 1001 C GLY A 63 -16.520 14.253 -12.127 1.00 0.00 C ATOM 1002 O GLY A 63 -15.608 15.020 -12.445 1.00 0.00 O ATOM 0 H GLY A 63 -18.338 12.076 -12.537 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.204 13.536 -14.036 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.119 14.895 -13.414 1.00 0.00 H new ATOM 1006 N SER A 64 -16.564 13.656 -10.925 1.00 0.00 N ATOM 1007 CA SER A 64 -15.447 13.688 -9.963 1.00 0.00 C ATOM 1008 C SER A 64 -14.172 13.115 -10.598 1.00 0.00 C ATOM 1009 O SER A 64 -14.223 12.078 -11.267 1.00 0.00 O ATOM 1010 CB SER A 64 -15.796 12.902 -8.689 1.00 0.00 C ATOM 1011 OG SER A 64 -16.810 13.560 -7.945 1.00 0.00 O ATOM 0 H SER A 64 -17.376 13.136 -10.591 1.00 0.00 H new ATOM 0 HA SER A 64 -15.270 14.728 -9.691 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.129 11.899 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.904 12.788 -8.073 1.00 0.00 H new ATOM 0 HG SER A 64 -17.015 13.039 -7.140 1.00 0.00 H new ATOM 1017 N LEU A 65 -13.033 13.779 -10.378 1.00 0.00 N ATOM 1018 CA LEU A 65 -11.750 13.476 -11.023 1.00 0.00 C ATOM 1019 C LEU A 65 -10.675 13.240 -9.954 1.00 0.00 C ATOM 1020 O LEU A 65 -10.427 14.088 -9.092 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.371 14.635 -11.972 1.00 0.00 C ATOM 1022 CG LEU A 65 -10.573 14.257 -13.238 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.293 13.465 -12.962 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -11.436 13.488 -14.247 1.00 0.00 C ATOM 0 H LEU A 65 -12.976 14.564 -9.729 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.831 12.565 -11.616 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.288 15.134 -12.284 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.789 15.362 -11.406 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.272 15.215 -13.662 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.794 13.241 -13.905 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.629 14.055 -12.331 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.544 12.534 -12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.837 13.241 -15.124 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.803 12.570 -13.787 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.282 14.106 -14.548 1.00 0.00 H new ATOM 1036 N ILE A 66 -10.062 12.062 -10.012 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.116 11.520 -9.030 1.00 0.00 C ATOM 1038 C ILE A 66 -7.916 10.942 -9.800 1.00 0.00 C ATOM 1039 O ILE A 66 -8.047 10.510 -10.949 1.00 0.00 O ATOM 1040 CB ILE A 66 -9.824 10.463 -8.129 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.164 10.977 -7.529 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -8.887 10.020 -6.988 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -12.069 9.903 -6.904 1.00 0.00 C ATOM 0 H ILE A 66 -10.218 11.419 -10.789 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.754 12.298 -8.358 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.060 9.616 -8.773 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.937 11.723 -6.768 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.723 11.484 -8.316 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.394 9.282 -6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.983 9.580 -7.409 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.620 10.884 -6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.975 10.370 -6.517 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.336 9.166 -7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.539 9.410 -6.089 1.00 0.00 H new ATOM 1055 N ARG A 67 -6.729 10.946 -9.184 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.482 10.422 -9.767 1.00 0.00 C ATOM 1057 C ARG A 67 -4.724 9.603 -8.722 1.00 0.00 C ATOM 1058 O ARG A 67 -4.335 10.131 -7.679 1.00 0.00 O ATOM 1059 CB ARG A 67 -4.639 11.587 -10.323 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.310 12.252 -11.535 1.00 0.00 C ATOM 1061 CD ARG A 67 -4.373 13.232 -12.253 1.00 0.00 C ATOM 1062 NE ARG A 67 -4.847 13.491 -13.631 1.00 0.00 N ATOM 1063 CZ ARG A 67 -5.607 14.485 -14.060 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -6.004 15.450 -13.280 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -5.994 14.524 -15.302 1.00 0.00 N ATOM 0 H ARG A 67 -6.602 11.322 -8.244 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.709 9.755 -10.599 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.485 12.330 -9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.654 11.218 -10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.634 11.483 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.204 12.782 -11.207 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.323 14.169 -11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.363 12.824 -12.281 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.550 12.819 -14.338 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.729 15.458 -12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.590 16.198 -13.652 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.711 13.787 -15.948 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.580 15.292 -15.630 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.547 8.312 -8.994 1.00 0.00 N ATOM 1080 CA ALA A 68 -3.933 7.347 -8.078 1.00 0.00 C ATOM 1081 C ALA A 68 -3.224 6.218 -8.840 1.00 0.00 C ATOM 1082 O ALA A 68 -3.449 6.006 -10.033 1.00 0.00 O ATOM 1083 CB ALA A 68 -5.033 6.778 -7.170 1.00 0.00 C ATOM 0 H ALA A 68 -4.833 7.895 -9.880 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.174 7.851 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.597 6.056 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.494 7.588 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.790 6.285 -7.780 1.00 0.00 H new ATOM 1089 N THR A 69 -2.355 5.478 -8.155 1.00 0.00 N ATOM 1090 CA THR A 69 -1.688 4.291 -8.719 1.00 0.00 C ATOM 1091 C THR A 69 -2.626 3.096 -8.807 1.00 0.00 C ATOM 1092 O THR A 69 -3.473 2.916 -7.931 1.00 0.00 O ATOM 1093 CB THR A 69 -0.510 3.865 -7.843 1.00 0.00 C ATOM 1094 OG1 THR A 69 -0.930 3.814 -6.503 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.635 4.851 -7.926 1.00 0.00 C ATOM 0 H THR A 69 -2.088 5.679 -7.191 1.00 0.00 H new ATOM 0 HA THR A 69 -1.356 4.578 -9.717 1.00 0.00 H new ATOM 0 HB THR A 69 -0.169 2.892 -8.197 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.269 2.917 -6.300 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.453 4.513 -7.290 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.982 4.920 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.296 5.831 -7.591 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.386 2.197 -9.769 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.176 0.956 -9.911 1.00 0.00 C ATOM 1105 C LYS A 70 -3.072 -0.012 -8.719 1.00 0.00 C ATOM 1106 O LYS A 70 -3.923 -0.885 -8.566 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.877 0.235 -11.247 1.00 0.00 C ATOM 1108 CG LYS A 70 -4.124 0.215 -12.156 1.00 0.00 C ATOM 1109 CD LYS A 70 -4.135 -0.939 -13.171 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.449 -0.680 -14.513 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.374 -0.041 -15.487 1.00 0.00 N ATOM 0 H LYS A 70 -1.649 2.302 -10.466 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.214 1.289 -9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.057 0.737 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.551 -0.786 -11.048 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.015 0.146 -11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.184 1.161 -12.695 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.661 -1.804 -12.708 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.172 -1.211 -13.366 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.581 -0.039 -14.361 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.082 -1.621 -14.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.476 -0.653 -16.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.304 0.097 -15.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.990 0.881 -15.778 1.00 0.00 H new ATOM 1125 N ASP A 71 -2.058 0.154 -7.865 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.812 -0.657 -6.666 1.00 0.00 C ATOM 1127 C ASP A 71 -2.570 -0.153 -5.422 1.00 0.00 C ATOM 1128 O ASP A 71 -2.678 -0.878 -4.430 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.307 -0.624 -6.364 1.00 0.00 C ATOM 1130 CG ASP A 71 0.533 -1.252 -7.485 1.00 0.00 C ATOM 1131 OD1 ASP A 71 0.614 -2.503 -7.549 1.00 0.00 O ATOM 1132 OD2 ASP A 71 1.122 -0.499 -8.299 1.00 0.00 O ATOM 0 H ASP A 71 -1.358 0.885 -7.994 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.171 -1.665 -6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.007 0.409 -6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.116 -1.154 -5.431 1.00 0.00 H new ATOM 1137 N HIS A 72 -3.072 1.090 -5.446 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.770 1.694 -4.310 1.00 0.00 C ATOM 1139 C HIS A 72 -5.180 1.078 -4.187 1.00 0.00 C ATOM 1140 O HIS A 72 -5.886 0.951 -5.195 1.00 0.00 O ATOM 1141 CB HIS A 72 -3.850 3.215 -4.525 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.511 3.920 -3.371 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -5.863 3.993 -3.163 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -3.914 4.509 -2.287 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -6.074 4.558 -1.972 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -4.915 4.892 -1.388 1.00 0.00 N ATOM 0 H HIS A 72 -3.003 1.704 -6.258 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.229 1.498 -3.384 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.845 3.614 -4.664 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.405 3.422 -5.440 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.585 3.671 -3.808 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.852 4.653 -2.150 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.049 4.724 -1.537 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.613 0.720 -2.969 1.00 0.00 N ATOM 1155 CA LYS A 73 -6.933 0.114 -2.716 1.00 0.00 C ATOM 1156 C LYS A 73 -7.975 1.154 -2.292 1.00 0.00 C ATOM 1157 O LYS A 73 -7.674 2.148 -1.641 1.00 0.00 O ATOM 1158 CB LYS A 73 -6.813 -1.029 -1.688 1.00 0.00 C ATOM 1159 CG LYS A 73 -6.022 -2.237 -2.230 1.00 0.00 C ATOM 1160 CD LYS A 73 -4.730 -2.507 -1.452 1.00 0.00 C ATOM 1161 CE LYS A 73 -3.915 -3.613 -2.141 1.00 0.00 C ATOM 1162 NZ LYS A 73 -4.349 -4.986 -1.754 1.00 0.00 N ATOM 0 H LYS A 73 -5.055 0.843 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.289 -0.310 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.324 -0.654 -0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.811 -1.355 -1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.654 -3.124 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.778 -2.064 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.137 -1.594 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.968 -2.803 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.003 -3.502 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.861 -3.488 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.763 -5.688 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.240 -5.108 -0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.347 -5.121 -2.015 1.00 0.00 H new ATOM 1176 N PHE A 74 -9.240 0.927 -2.627 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.322 1.875 -2.336 1.00 0.00 C ATOM 1178 C PHE A 74 -11.529 1.136 -1.753 1.00 0.00 C ATOM 1179 O PHE A 74 -11.976 0.134 -2.314 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.677 2.654 -3.605 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.623 3.622 -4.119 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.652 3.213 -5.059 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -9.652 4.962 -3.690 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -7.744 4.151 -5.584 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -8.722 5.889 -4.186 1.00 0.00 C ATOM 1186 CZ PHE A 74 -7.779 5.486 -5.144 1.00 0.00 C ATOM 0 H PHE A 74 -9.550 0.083 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.993 2.594 -1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.898 1.937 -4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.593 3.214 -3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.606 2.181 -5.375 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.395 5.279 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.020 3.846 -6.325 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.732 6.909 -3.832 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.078 6.203 -5.544 1.00 0.00 H new ATOM 1196 N MET A 75 -12.021 1.595 -0.592 1.00 0.00 N ATOM 1197 CA MET A 75 -13.057 0.878 0.159 1.00 0.00 C ATOM 1198 C MET A 75 -14.416 0.973 -0.547 1.00 0.00 C ATOM 1199 O MET A 75 -15.010 2.054 -0.645 1.00 0.00 O ATOM 1200 CB MET A 75 -13.127 1.340 1.625 1.00 0.00 C ATOM 1201 CG MET A 75 -13.651 0.219 2.531 1.00 0.00 C ATOM 1202 SD MET A 75 -13.406 0.468 4.317 1.00 0.00 S ATOM 1203 CE MET A 75 -14.449 1.916 4.657 1.00 0.00 C ATOM 0 H MET A 75 -11.715 2.463 -0.153 1.00 0.00 H new ATOM 0 HA MET A 75 -12.779 -0.176 0.183 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.137 1.650 1.960 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.778 2.211 1.705 1.00 0.00 H new ATOM 0 HG2 MET A 75 -14.717 0.094 2.343 1.00 0.00 H new ATOM 0 HG3 MET A 75 -13.165 -0.713 2.243 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.839 2.712 5.084 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.902 2.264 3.729 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.233 1.642 5.363 1.00 0.00 H new ATOM 1213 N THR A 76 -14.896 -0.154 -1.076 1.00 0.00 N ATOM 1214 CA THR A 76 -16.169 -0.217 -1.811 1.00 0.00 C ATOM 1215 C THR A 76 -17.375 -0.036 -0.893 1.00 0.00 C ATOM 1216 O THR A 76 -17.251 -0.056 0.335 1.00 0.00 O ATOM 1217 CB THR A 76 -16.323 -1.516 -2.612 1.00 0.00 C ATOM 1218 OG1 THR A 76 -16.366 -2.630 -1.752 1.00 0.00 O ATOM 1219 CG2 THR A 76 -15.184 -1.669 -3.611 1.00 0.00 C ATOM 0 H THR A 76 -14.416 -1.051 -1.009 1.00 0.00 H new ATOM 0 HA THR A 76 -16.138 0.616 -2.514 1.00 0.00 H new ATOM 0 HB THR A 76 -17.264 -1.464 -3.160 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.466 -3.448 -2.282 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.312 -2.597 -4.169 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.190 -0.826 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.234 -1.694 -3.078 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.569 0.089 -1.483 1.00 0.00 N ATOM 1228 CA VAL A 77 -19.836 0.145 -0.732 1.00 0.00 C ATOM 1229 C VAL A 77 -20.061 -1.032 0.227 1.00 0.00 C ATOM 1230 O VAL A 77 -20.753 -0.888 1.236 1.00 0.00 O ATOM 1231 CB VAL A 77 -21.057 0.268 -1.658 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -20.994 1.556 -2.474 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -21.217 -0.925 -2.608 1.00 0.00 C ATOM 0 H VAL A 77 -18.688 0.154 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 77 -19.735 1.046 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 77 -21.927 0.285 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -21.869 1.620 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -20.978 2.413 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -20.091 1.556 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -22.097 -0.776 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -20.332 -1.009 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -21.336 -1.840 -2.027 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.471 -2.193 -0.076 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.574 -3.417 0.727 1.00 0.00 C ATOM 1245 C ASP A 78 -18.481 -3.523 1.816 1.00 0.00 C ATOM 1246 O ASP A 78 -18.531 -4.416 2.665 1.00 0.00 O ATOM 1247 CB ASP A 78 -19.521 -4.612 -0.238 1.00 0.00 C ATOM 1248 CG ASP A 78 -19.949 -5.932 0.423 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.103 -6.020 0.910 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -19.157 -6.905 0.414 1.00 0.00 O ATOM 0 H ASP A 78 -18.893 -2.311 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.517 -3.403 1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -20.168 -4.412 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.507 -4.717 -0.624 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.493 -2.617 1.804 1.00 0.00 N ATOM 1256 CA GLY A 79 -16.378 -2.575 2.759 1.00 0.00 C ATOM 1257 C GLY A 79 -15.105 -3.290 2.278 1.00 0.00 C ATOM 1258 O GLY A 79 -14.121 -3.341 3.019 1.00 0.00 O ATOM 0 H GLY A 79 -17.447 -1.872 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.137 -1.534 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.701 -3.026 3.697 1.00 0.00 H new ATOM 1262 N GLN A 80 -15.108 -3.853 1.062 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.954 -4.549 0.482 1.00 0.00 C ATOM 1264 C GLN A 80 -12.819 -3.566 0.154 1.00 0.00 C ATOM 1265 O GLN A 80 -13.068 -2.431 -0.251 1.00 0.00 O ATOM 1266 CB GLN A 80 -14.377 -5.311 -0.786 1.00 0.00 C ATOM 1267 CG GLN A 80 -15.508 -6.327 -0.556 1.00 0.00 C ATOM 1268 CD GLN A 80 -15.063 -7.496 0.321 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -15.285 -7.535 1.525 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -14.393 -8.484 -0.238 1.00 0.00 N ATOM 0 H GLN A 80 -15.922 -3.837 0.447 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.583 -5.260 1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.696 -4.592 -1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.510 -5.833 -1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -16.355 -5.826 -0.088 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.854 -6.707 -1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.200 -8.467 -1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -14.068 -9.266 0.331 1.00 0.00 H new ATOM 1279 N MET A 81 -11.570 -4.024 0.285 1.00 0.00 N ATOM 1280 CA MET A 81 -10.349 -3.216 0.144 1.00 0.00 C ATOM 1281 C MET A 81 -9.515 -3.750 -1.028 1.00 0.00 C ATOM 1282 O MET A 81 -8.536 -4.476 -0.844 1.00 0.00 O ATOM 1283 CB MET A 81 -9.574 -3.213 1.474 1.00 0.00 C ATOM 1284 CG MET A 81 -10.287 -2.406 2.569 1.00 0.00 C ATOM 1285 SD MET A 81 -9.594 -2.669 4.224 1.00 0.00 S ATOM 1286 CE MET A 81 -10.393 -4.246 4.650 1.00 0.00 C ATOM 0 H MET A 81 -11.372 -5.001 0.500 1.00 0.00 H new ATOM 0 HA MET A 81 -10.600 -2.180 -0.083 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.438 -4.240 1.814 1.00 0.00 H new ATOM 0 HB3 MET A 81 -8.580 -2.798 1.310 1.00 0.00 H new ATOM 0 HG2 MET A 81 -10.230 -1.345 2.324 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.343 -2.675 2.579 1.00 0.00 H new ATOM 0 HE1 MET A 81 -10.076 -4.558 5.645 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.476 -4.120 4.637 1.00 0.00 H new ATOM 0 HE3 MET A 81 -10.107 -5.007 3.923 1.00 0.00 H new ATOM 1296 N LEU A 82 -9.956 -3.426 -2.249 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.417 -3.958 -3.509 1.00 0.00 C ATOM 1298 C LEU A 82 -8.729 -2.847 -4.328 1.00 0.00 C ATOM 1299 O LEU A 82 -9.136 -1.686 -4.223 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.561 -4.579 -4.343 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.516 -5.540 -3.610 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -12.507 -6.134 -4.611 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -10.804 -6.694 -2.900 1.00 0.00 C ATOM 0 H LEU A 82 -10.721 -2.767 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.676 -4.721 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.154 -3.767 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.117 -5.116 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.017 -4.946 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.183 -6.814 -4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.083 -5.332 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.963 -6.680 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.541 -7.328 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.249 -7.283 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.114 -6.294 -2.157 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.710 -3.174 -5.150 1.00 0.00 N ATOM 1316 CA PRO A 83 -7.035 -2.200 -6.008 1.00 0.00 C ATOM 1317 C PRO A 83 -7.962 -1.684 -7.110 1.00 0.00 C ATOM 1318 O PRO A 83 -8.805 -2.422 -7.621 1.00 0.00 O ATOM 1319 CB PRO A 83 -5.821 -2.929 -6.593 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.235 -4.397 -6.565 1.00 0.00 C ATOM 1321 CD PRO A 83 -7.137 -4.499 -5.337 1.00 0.00 C ATOM 0 HA PRO A 83 -6.733 -1.318 -5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.602 -2.594 -7.607 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.924 -2.754 -5.999 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.764 -4.681 -7.475 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.370 -5.055 -6.481 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.918 -5.244 -5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.568 -4.806 -4.459 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.770 -0.431 -7.534 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.563 0.193 -8.606 1.00 0.00 C ATOM 1331 C ILE A 84 -8.561 -0.591 -9.937 1.00 0.00 C ATOM 1332 O ILE A 84 -9.560 -0.594 -10.657 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.134 1.664 -8.779 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.048 2.378 -9.788 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.668 1.811 -9.199 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.363 3.812 -9.380 1.00 0.00 C ATOM 0 H ILE A 84 -7.057 0.185 -7.143 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.607 0.164 -8.293 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.235 2.134 -7.801 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.570 2.379 -10.768 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -9.979 1.820 -9.888 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.424 2.868 -9.305 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.026 1.365 -8.440 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.510 1.305 -10.151 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.011 4.269 -10.128 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.867 3.813 -8.413 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.436 4.381 -9.307 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.483 -1.331 -10.219 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.393 -2.287 -11.334 1.00 0.00 C ATOM 1350 C ASP A 85 -8.539 -3.312 -11.345 1.00 0.00 C ATOM 1351 O ASP A 85 -9.057 -3.685 -12.400 1.00 0.00 O ATOM 1352 CB ASP A 85 -6.063 -3.041 -11.207 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.817 -4.027 -12.367 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -5.964 -3.643 -13.553 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.444 -5.193 -12.095 1.00 0.00 O ATOM 0 H ASP A 85 -6.627 -1.282 -9.666 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.460 -1.720 -12.263 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.245 -2.321 -11.170 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.050 -3.587 -10.264 1.00 0.00 H new ATOM 1360 N GLU A 86 -8.949 -3.754 -10.155 1.00 0.00 N ATOM 1361 CA GLU A 86 -9.982 -4.768 -9.958 1.00 0.00 C ATOM 1362 C GLU A 86 -11.379 -4.137 -9.837 1.00 0.00 C ATOM 1363 O GLU A 86 -12.353 -4.698 -10.344 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.593 -5.617 -8.733 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.372 -6.933 -8.661 1.00 0.00 C ATOM 1366 CD GLU A 86 -9.684 -7.979 -7.762 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -8.535 -8.390 -8.058 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -10.309 -8.443 -6.778 1.00 0.00 O ATOM 0 H GLU A 86 -8.560 -3.406 -9.279 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.042 -5.420 -10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.525 -5.832 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.772 -5.042 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.375 -6.737 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.484 -7.340 -9.666 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.488 -2.927 -9.266 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.744 -2.164 -9.213 1.00 0.00 C ATOM 1377 C ILE A 87 -13.265 -1.852 -10.626 1.00 0.00 C ATOM 1378 O ILE A 87 -14.470 -1.938 -10.868 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.547 -0.875 -8.383 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -12.052 -1.217 -6.960 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -13.851 -0.070 -8.317 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -11.710 0.009 -6.108 1.00 0.00 C ATOM 0 H ILE A 87 -10.702 -2.448 -8.826 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.501 -2.774 -8.721 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.790 -0.264 -8.875 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.819 -1.799 -6.450 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.169 -1.851 -7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.691 0.833 -7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.161 0.204 -9.325 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.629 -0.675 -7.850 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.371 -0.315 -5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.920 0.581 -6.594 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.596 0.635 -5.998 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.370 -1.541 -11.572 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.736 -1.282 -12.972 1.00 0.00 C ATOM 1396 C PHE A 88 -13.277 -2.532 -13.696 1.00 0.00 C ATOM 1397 O PHE A 88 -14.193 -2.417 -14.511 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.529 -0.688 -13.713 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.837 -0.180 -15.112 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.492 1.056 -15.300 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -11.472 -0.947 -16.237 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.763 1.527 -16.597 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -11.742 -0.473 -17.536 1.00 0.00 C ATOM 1404 CZ PHE A 88 -12.383 0.764 -17.716 1.00 0.00 C ATOM 0 H PHE A 88 -11.370 -1.462 -11.389 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.556 -0.563 -12.973 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.124 0.134 -13.122 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.749 -1.447 -13.779 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.787 1.643 -14.443 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.984 -1.901 -16.103 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.263 2.475 -16.734 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.456 -1.062 -18.395 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.584 1.129 -18.712 1.00 0.00 H new ATOM 1414 N GLU A 89 -12.761 -3.729 -13.382 1.00 0.00 N ATOM 1415 CA GLU A 89 -13.237 -4.990 -13.978 1.00 0.00 C ATOM 1416 C GLU A 89 -14.607 -5.426 -13.441 1.00 0.00 C ATOM 1417 O GLU A 89 -15.482 -5.795 -14.231 1.00 0.00 O ATOM 1418 CB GLU A 89 -12.219 -6.121 -13.749 1.00 0.00 C ATOM 1419 CG GLU A 89 -11.005 -6.002 -14.681 1.00 0.00 C ATOM 1420 CD GLU A 89 -10.171 -7.298 -14.706 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -9.791 -7.820 -13.629 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -9.882 -7.811 -15.816 1.00 0.00 O ATOM 0 H GLU A 89 -12.004 -3.852 -12.710 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.346 -4.797 -15.045 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.883 -6.101 -12.712 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.705 -7.084 -13.908 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.344 -5.769 -15.690 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.377 -5.172 -14.356 1.00 0.00 H new ATOM 1429 N ARG A 90 -14.818 -5.381 -12.115 1.00 0.00 N ATOM 1430 CA ARG A 90 -16.108 -5.696 -11.487 1.00 0.00 C ATOM 1431 C ARG A 90 -17.138 -4.561 -11.578 1.00 0.00 C ATOM 1432 O ARG A 90 -18.303 -4.794 -11.256 1.00 0.00 O ATOM 1433 CB ARG A 90 -15.895 -6.130 -10.028 1.00 0.00 C ATOM 1434 CG ARG A 90 -15.194 -7.491 -9.906 1.00 0.00 C ATOM 1435 CD ARG A 90 -13.667 -7.423 -9.934 1.00 0.00 C ATOM 1436 NE ARG A 90 -13.050 -8.732 -9.649 1.00 0.00 N ATOM 1437 CZ ARG A 90 -12.789 -9.704 -10.506 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -13.147 -9.650 -11.759 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -12.155 -10.769 -10.108 1.00 0.00 N ATOM 0 H ARG A 90 -14.092 -5.123 -11.446 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.534 -6.522 -12.056 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.303 -5.374 -9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.860 -6.177 -9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.507 -7.964 -8.975 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.531 -8.133 -10.719 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.338 -7.072 -10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.323 -6.693 -9.201 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.795 -8.908 -8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.649 -8.835 -12.111 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.925 -10.423 -12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.860 -10.853 -9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.953 -11.519 -10.769 1.00 0.00 H new ATOM 1453 N GLU A 91 -16.745 -3.364 -12.033 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.617 -2.189 -12.154 1.00 0.00 C ATOM 1455 C GLU A 91 -18.242 -1.804 -10.795 1.00 0.00 C ATOM 1456 O GLU A 91 -19.416 -1.432 -10.705 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.640 -2.379 -13.296 1.00 0.00 C ATOM 1458 CG GLU A 91 -18.011 -2.890 -14.605 1.00 0.00 C ATOM 1459 CD GLU A 91 -19.041 -2.920 -15.747 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -19.879 -3.855 -15.800 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -19.029 -2.000 -16.600 1.00 0.00 O ATOM 0 H GLU A 91 -15.788 -3.182 -12.335 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.013 -1.328 -12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.408 -3.082 -12.972 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.139 -1.429 -13.488 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.175 -2.249 -14.884 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.607 -3.891 -14.450 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.454 -1.942 -9.720 1.00 0.00 N ATOM 1469 CA LEU A 92 -17.859 -1.602 -8.354 1.00 0.00 C ATOM 1470 C LEU A 92 -17.672 -0.108 -8.049 1.00 0.00 C ATOM 1471 O LEU A 92 -16.844 0.595 -8.630 1.00 0.00 O ATOM 1472 CB LEU A 92 -17.089 -2.462 -7.330 1.00 0.00 C ATOM 1473 CG LEU A 92 -17.477 -3.951 -7.309 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -16.587 -4.692 -6.307 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -18.935 -4.185 -6.909 1.00 0.00 C ATOM 0 H LEU A 92 -16.501 -2.300 -9.779 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.924 -1.819 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -16.022 -2.383 -7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.249 -2.046 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.342 -4.323 -8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.859 -5.747 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.543 -4.591 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.724 -4.265 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -19.146 -5.254 -6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -19.107 -3.785 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.592 -3.683 -7.619 1.00 0.00 H new ATOM 1487 N ASP A 93 -18.449 0.354 -7.083 1.00 0.00 N ATOM 1488 CA ASP A 93 -18.523 1.719 -6.571 1.00 0.00 C ATOM 1489 C ASP A 93 -17.970 1.855 -5.137 1.00 0.00 C ATOM 1490 O ASP A 93 -17.924 0.896 -4.359 1.00 0.00 O ATOM 1491 CB ASP A 93 -19.982 2.202 -6.679 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.099 1.183 -6.352 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -20.862 0.141 -5.699 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.247 1.420 -6.799 1.00 0.00 O ATOM 0 H ASP A 93 -19.098 -0.263 -6.595 1.00 0.00 H new ATOM 0 HA ASP A 93 -17.880 2.356 -7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -20.103 3.058 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.143 2.562 -7.695 1.00 0.00 H new ATOM 1499 N LEU A 94 -17.529 3.071 -4.786 1.00 0.00 N ATOM 1500 CA LEU A 94 -16.979 3.387 -3.462 1.00 0.00 C ATOM 1501 C LEU A 94 -18.058 3.844 -2.474 1.00 0.00 C ATOM 1502 O LEU A 94 -19.102 4.378 -2.862 1.00 0.00 O ATOM 1503 CB LEU A 94 -15.861 4.438 -3.571 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.662 4.035 -4.450 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -13.514 5.007 -4.174 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -14.155 2.610 -4.218 1.00 0.00 C ATOM 0 H LEU A 94 -17.545 3.870 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.555 2.464 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.288 5.359 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.496 4.662 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.009 4.074 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.654 4.738 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.830 6.022 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.238 4.955 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.311 2.412 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -13.838 2.501 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -14.955 1.900 -4.429 1.00 0.00 H new ATOM 1518 N MET A 95 -17.782 3.658 -1.179 1.00 0.00 N ATOM 1519 CA MET A 95 -18.642 4.169 -0.112 1.00 0.00 C ATOM 1520 C MET A 95 -18.450 5.688 0.026 1.00 0.00 C ATOM 1521 O MET A 95 -17.320 6.174 -0.040 1.00 0.00 O ATOM 1522 CB MET A 95 -18.312 3.406 1.178 1.00 0.00 C ATOM 1523 CG MET A 95 -19.248 3.746 2.344 1.00 0.00 C ATOM 1524 SD MET A 95 -19.616 2.361 3.466 1.00 0.00 S ATOM 1525 CE MET A 95 -17.961 1.685 3.778 1.00 0.00 C ATOM 0 H MET A 95 -16.962 3.152 -0.845 1.00 0.00 H new ATOM 0 HA MET A 95 -19.696 4.008 -0.340 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.363 2.335 0.981 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.285 3.627 1.470 1.00 0.00 H new ATOM 0 HG2 MET A 95 -18.803 4.555 2.924 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.186 4.124 1.938 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.017 0.938 4.570 1.00 0.00 H new ATOM 0 HE2 MET A 95 -17.580 1.222 2.868 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.291 2.489 4.084 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.548 6.430 0.219 1.00 0.00 N ATOM 1536 CA ARG A 96 -19.562 7.900 0.368 1.00 0.00 C ATOM 1537 C ARG A 96 -20.121 8.300 1.738 1.00 0.00 C ATOM 1538 O ARG A 96 -20.881 7.548 2.352 1.00 0.00 O ATOM 1539 CB ARG A 96 -20.362 8.553 -0.781 1.00 0.00 C ATOM 1540 CG ARG A 96 -19.696 8.366 -2.155 1.00 0.00 C ATOM 1541 CD ARG A 96 -20.568 8.907 -3.300 1.00 0.00 C ATOM 1542 NE ARG A 96 -20.151 10.246 -3.777 1.00 0.00 N ATOM 1543 CZ ARG A 96 -20.510 10.809 -4.921 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -21.392 10.274 -5.716 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -19.993 11.939 -5.302 1.00 0.00 N ATOM 0 H ARG A 96 -20.479 6.018 0.278 1.00 0.00 H new ATOM 0 HA ARG A 96 -18.537 8.265 0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -21.365 8.126 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -20.474 9.618 -0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -18.732 8.875 -2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -19.498 7.307 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -20.535 8.206 -4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -21.604 8.955 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 96 -19.532 10.783 -3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -21.834 9.389 -5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -21.641 10.740 -6.589 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -19.300 12.406 -4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -20.280 12.359 -6.186 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.772 9.508 2.187 1.00 0.00 N ATOM 1560 CA VAL A 97 -20.148 10.050 3.517 1.00 0.00 C ATOM 1561 C VAL A 97 -21.003 11.326 3.462 1.00 0.00 C ATOM 1562 O VAL A 97 -21.497 11.794 4.488 1.00 0.00 O ATOM 1563 CB VAL A 97 -18.921 10.252 4.429 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -18.162 8.936 4.665 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -17.914 11.306 3.960 1.00 0.00 C ATOM 0 H VAL A 97 -19.210 10.157 1.635 1.00 0.00 H new ATOM 0 HA VAL A 97 -20.784 9.281 3.956 1.00 0.00 H new ATOM 0 HB VAL A 97 -19.363 10.623 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -17.305 9.121 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -18.826 8.213 5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -17.817 8.539 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -17.092 11.367 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -17.525 11.027 2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -18.407 12.276 3.892 1.00 0.00 H new ATOM 1575 N ASP A 98 -21.245 11.859 2.259 1.00 0.00 N ATOM 1576 CA ASP A 98 -22.026 13.082 2.002 1.00 0.00 C ATOM 1577 C ASP A 98 -23.509 12.782 1.669 1.00 0.00 C ATOM 1578 O ASP A 98 -24.245 13.653 1.201 1.00 0.00 O ATOM 1579 CB ASP A 98 -21.307 13.881 0.894 1.00 0.00 C ATOM 1580 CG ASP A 98 -20.269 14.873 1.451 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -19.394 14.477 2.257 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -20.328 16.071 1.078 1.00 0.00 O ATOM 0 H ASP A 98 -20.890 11.436 1.402 1.00 0.00 H new ATOM 0 HA ASP A 98 -22.072 13.686 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.812 13.187 0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -22.046 14.427 0.308 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.961 11.540 1.921 1.00 0.00 N ATOM 1588 CA ASN A 99 -25.294 10.994 1.574 1.00 0.00 C ATOM 1589 C ASN A 99 -25.575 11.046 0.064 1.00 0.00 C ATOM 1590 O ASN A 99 -26.713 11.160 -0.401 1.00 0.00 O ATOM 1591 CB ASN A 99 -26.388 11.571 2.497 1.00 0.00 C ATOM 1592 CG ASN A 99 -26.219 10.972 3.877 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -26.954 10.092 4.304 1.00 0.00 O ATOM 1594 ND2 ASN A 99 -25.145 11.326 4.545 1.00 0.00 N ATOM 0 H ASN A 99 -23.379 10.851 2.397 1.00 0.00 H new ATOM 0 HA ASN A 99 -25.305 9.924 1.781 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -26.310 12.657 2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -27.377 11.339 2.102 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -24.918 10.866 5.427 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -24.538 12.061 4.182 1.00 0.00 H new ATOM 1601 N LEU A 100 -24.482 10.943 -0.688 1.00 0.00 N ATOM 1602 CA LEU A 100 -24.459 10.913 -2.152 1.00 0.00 C ATOM 1603 C LEU A 100 -24.594 9.478 -2.709 1.00 0.00 C ATOM 1604 O LEU A 100 -24.247 8.511 -2.020 1.00 0.00 O ATOM 1605 CB LEU A 100 -23.159 11.592 -2.624 1.00 0.00 C ATOM 1606 CG LEU A 100 -23.205 13.129 -2.530 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -21.809 13.707 -2.747 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -24.117 13.744 -3.595 1.00 0.00 C ATOM 0 H LEU A 100 -23.550 10.875 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 100 -25.321 11.457 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -22.326 11.223 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.961 11.304 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 100 -23.590 13.369 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -21.851 14.794 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -21.133 13.321 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -21.445 13.419 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -24.118 14.829 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -23.751 13.476 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -25.131 13.366 -3.468 1.00 0.00 H new ATOM 1620 N PRO A 101 -25.078 9.325 -3.958 1.00 0.00 N ATOM 1621 CA PRO A 101 -25.285 8.026 -4.598 1.00 0.00 C ATOM 1622 C PRO A 101 -23.959 7.342 -4.948 1.00 0.00 C ATOM 1623 O PRO A 101 -22.934 7.996 -5.165 1.00 0.00 O ATOM 1624 CB PRO A 101 -26.117 8.321 -5.852 1.00 0.00 C ATOM 1625 CG PRO A 101 -25.710 9.747 -6.217 1.00 0.00 C ATOM 1626 CD PRO A 101 -25.482 10.398 -4.855 1.00 0.00 C ATOM 0 HA PRO A 101 -25.794 7.331 -3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.894 7.621 -6.657 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -27.186 8.247 -5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.808 9.765 -6.829 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -26.490 10.257 -6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -24.712 11.167 -4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -26.390 10.883 -4.498 1.00 0.00 H new ATOM 1634 N ASN A 102 -23.977 6.014 -5.029 1.00 0.00 N ATOM 1635 CA ASN A 102 -22.789 5.206 -5.309 1.00 0.00 C ATOM 1636 C ASN A 102 -22.618 5.014 -6.827 1.00 0.00 C ATOM 1637 O ASN A 102 -23.575 4.675 -7.530 1.00 0.00 O ATOM 1638 CB ASN A 102 -22.917 3.869 -4.562 1.00 0.00 C ATOM 1639 CG ASN A 102 -23.328 4.036 -3.108 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -24.432 3.687 -2.711 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -22.478 4.596 -2.277 1.00 0.00 N ATOM 0 H ASN A 102 -24.825 5.461 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 102 -21.891 5.713 -4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -23.650 3.244 -5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -21.964 3.342 -4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -22.738 4.740 -1.301 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -21.558 4.887 -2.608 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.398 5.240 -7.330 1.00 0.00 N ATOM 1649 CA ILE A 103 -21.056 5.209 -8.764 1.00 0.00 C ATOM 1650 C ILE A 103 -19.626 4.700 -8.990 1.00 0.00 C ATOM 1651 O ILE A 103 -18.696 5.051 -8.260 1.00 0.00 O ATOM 1652 CB ILE A 103 -21.231 6.595 -9.432 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.791 7.757 -8.513 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.680 6.781 -9.913 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.658 9.081 -9.263 1.00 0.00 C ATOM 0 H ILE A 103 -20.597 5.456 -6.737 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.754 4.514 -9.232 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.570 6.622 -10.298 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -21.515 7.872 -7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.836 7.508 -8.051 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.785 7.760 -10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -22.925 6.005 -10.638 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.358 6.710 -9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -20.347 9.862 -8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -19.913 8.979 -10.052 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.619 9.348 -9.703 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.474 3.836 -10.000 1.00 0.00 N ATOM 1668 CA LYS A 104 -18.204 3.200 -10.382 1.00 0.00 C ATOM 1669 C LYS A 104 -17.331 4.110 -11.258 1.00 0.00 C ATOM 1670 O LYS A 104 -17.738 5.204 -11.656 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.491 1.796 -10.971 1.00 0.00 C ATOM 1672 CG LYS A 104 -19.352 1.687 -12.243 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.565 2.019 -13.519 1.00 0.00 C ATOM 1674 CE LYS A 104 -19.413 2.024 -14.799 1.00 0.00 C ATOM 1675 NZ LYS A 104 -19.297 0.761 -15.574 1.00 0.00 N ATOM 0 H LYS A 104 -20.253 3.550 -10.593 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.588 3.047 -9.496 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.531 1.324 -11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -18.974 1.204 -10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.753 0.676 -12.320 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.204 2.362 -12.160 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.100 2.998 -13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.759 1.295 -13.634 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -20.458 2.188 -14.536 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -19.107 2.860 -15.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -19.793 0.864 -16.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -18.293 0.552 -15.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -19.723 -0.018 -15.033 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.126 3.636 -11.577 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.170 4.294 -12.487 1.00 0.00 C ATOM 1691 C ILE A 105 -15.776 4.405 -13.898 1.00 0.00 C ATOM 1692 O ILE A 105 -15.968 3.400 -14.586 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.854 3.489 -12.543 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.212 3.252 -11.160 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.835 4.183 -13.466 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -12.388 1.972 -11.111 1.00 0.00 C ATOM 0 H ILE A 105 -15.771 2.757 -11.201 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.958 5.295 -12.112 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.123 2.511 -12.941 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.575 4.100 -10.909 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.995 3.206 -10.403 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.914 3.601 -13.493 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.247 4.257 -14.472 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.622 5.182 -13.087 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.959 1.853 -10.116 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -13.028 1.118 -11.334 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.586 2.027 -11.848 1.00 0.00 H new ATOM 1708 N ALA A 106 -16.081 5.626 -14.329 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.679 5.911 -15.636 1.00 0.00 C ATOM 1710 C ALA A 106 -15.725 5.563 -16.791 1.00 0.00 C ATOM 1711 O ALA A 106 -16.121 4.918 -17.766 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.057 7.396 -15.682 1.00 0.00 C ATOM 0 H ALA A 106 -15.917 6.464 -13.771 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.566 5.290 -15.762 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.504 7.628 -16.649 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -17.773 7.614 -14.889 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.163 8.004 -15.541 1.00 0.00 H new ATOM 1718 N THR A 107 -14.460 5.966 -16.645 1.00 0.00 N ATOM 1719 CA THR A 107 -13.367 5.769 -17.609 1.00 0.00 C ATOM 1720 C THR A 107 -12.018 5.693 -16.885 1.00 0.00 C ATOM 1721 O THR A 107 -11.821 6.315 -15.833 1.00 0.00 O ATOM 1722 CB THR A 107 -13.298 6.910 -18.651 1.00 0.00 C ATOM 1723 OG1 THR A 107 -13.472 8.181 -18.055 1.00 0.00 O ATOM 1724 CG2 THR A 107 -14.354 6.779 -19.749 1.00 0.00 C ATOM 0 H THR A 107 -14.152 6.464 -15.810 1.00 0.00 H new ATOM 0 HA THR A 107 -13.574 4.832 -18.127 1.00 0.00 H new ATOM 0 HB THR A 107 -12.303 6.823 -19.088 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.420 8.875 -18.745 1.00 0.00 H new ATOM 0 HG21 THR A 107 -14.255 7.608 -20.450 1.00 0.00 H new ATOM 0 HG22 THR A 107 -14.213 5.837 -20.279 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.348 6.798 -19.302 1.00 0.00 H new ATOM 1732 N ARG A 108 -11.075 4.949 -17.477 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.690 4.781 -17.005 1.00 0.00 C ATOM 1734 C ARG A 108 -8.712 4.960 -18.170 1.00 0.00 C ATOM 1735 O ARG A 108 -8.978 4.512 -19.287 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.552 3.407 -16.308 1.00 0.00 C ATOM 1737 CG ARG A 108 -8.129 3.087 -15.806 1.00 0.00 C ATOM 1738 CD ARG A 108 -7.265 2.325 -16.829 1.00 0.00 C ATOM 1739 NE ARG A 108 -7.471 0.863 -16.753 1.00 0.00 N ATOM 1740 CZ ARG A 108 -7.290 -0.025 -17.721 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -6.842 0.302 -18.900 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -7.523 -1.286 -17.503 1.00 0.00 N ATOM 0 H ARG A 108 -11.261 4.426 -18.332 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.442 5.547 -16.270 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.239 3.372 -15.462 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -9.863 2.628 -17.004 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.628 4.019 -15.544 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.200 2.496 -14.893 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.504 2.672 -17.834 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.213 2.552 -16.655 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.788 0.496 -15.855 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.615 1.275 -19.108 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.718 -0.415 -19.615 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.846 -1.594 -16.586 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.383 -1.967 -18.249 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.563 5.581 -17.886 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.440 5.785 -18.822 1.00 0.00 C ATOM 1758 C LYS A 109 -5.138 5.992 -18.037 1.00 0.00 C ATOM 1759 O LYS A 109 -5.147 6.658 -17.003 1.00 0.00 O ATOM 1760 CB LYS A 109 -6.761 7.014 -19.706 1.00 0.00 C ATOM 1761 CG LYS A 109 -5.781 7.248 -20.870 1.00 0.00 C ATOM 1762 CD LYS A 109 -5.866 6.207 -22.000 1.00 0.00 C ATOM 1763 CE LYS A 109 -7.099 6.429 -22.888 1.00 0.00 C ATOM 1764 NZ LYS A 109 -7.218 5.376 -23.932 1.00 0.00 N ATOM 0 H LYS A 109 -7.377 5.973 -16.963 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.308 4.910 -19.458 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.765 6.898 -20.113 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.773 7.903 -19.076 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -5.966 8.237 -21.290 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.765 7.255 -20.476 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -4.964 6.259 -22.610 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.903 5.206 -21.570 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.997 6.433 -22.270 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -7.035 7.408 -23.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.061 5.557 -24.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -6.372 5.389 -24.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -7.304 4.445 -23.477 1.00 0.00 H new ATOM 1778 N TYR A 110 -4.022 5.432 -18.504 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.702 5.700 -17.918 1.00 0.00 C ATOM 1780 C TYR A 110 -2.280 7.159 -18.148 1.00 0.00 C ATOM 1781 O TYR A 110 -2.312 7.642 -19.285 1.00 0.00 O ATOM 1782 CB TYR A 110 -1.658 4.742 -18.510 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.267 4.885 -17.910 1.00 0.00 C ATOM 1784 CD1 TYR A 110 -0.098 4.917 -16.512 1.00 0.00 C ATOM 1785 CD2 TYR A 110 0.863 4.997 -18.745 1.00 0.00 C ATOM 1786 CE1 TYR A 110 1.181 5.080 -15.956 1.00 0.00 C ATOM 1787 CE2 TYR A 110 2.153 5.122 -18.189 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.314 5.160 -16.787 1.00 0.00 C ATOM 1789 OH TYR A 110 3.553 5.283 -16.234 1.00 0.00 O ATOM 0 H TYR A 110 -4.003 4.785 -19.292 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.766 5.535 -16.843 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.000 3.717 -18.366 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.596 4.910 -19.585 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.956 4.816 -15.865 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.740 4.987 -19.818 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.296 5.144 -14.884 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.016 5.189 -18.835 1.00 0.00 H new ATOM 0 HH TYR A 110 4.226 5.324 -16.945 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.878 7.865 -17.085 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.440 9.263 -17.177 1.00 0.00 C ATOM 1801 C LEU A 111 0.076 9.370 -17.362 1.00 0.00 C ATOM 1802 O LEU A 111 0.551 10.144 -18.197 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.829 9.990 -15.884 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.342 10.109 -15.674 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.607 10.398 -14.206 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -3.940 11.229 -16.523 1.00 0.00 C ATOM 0 H LEU A 111 -1.847 7.485 -16.139 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.924 9.714 -18.044 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.394 9.461 -15.036 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.393 10.989 -15.894 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.809 9.172 -15.977 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.681 10.486 -14.040 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.211 9.585 -13.598 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.119 11.331 -13.925 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.014 11.284 -16.348 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.479 12.178 -16.250 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.754 11.025 -17.577 1.00 0.00 H new ATOM 1818 N GLY A 112 0.825 8.614 -16.558 1.00 0.00 N ATOM 1819 CA GLY A 112 2.283 8.687 -16.483 1.00 0.00 C ATOM 1820 C GLY A 112 2.821 8.384 -15.080 1.00 0.00 C ATOM 1821 O GLY A 112 2.201 7.660 -14.298 1.00 0.00 O ATOM 0 H GLY A 112 0.425 7.919 -15.927 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.715 7.981 -17.193 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.609 9.682 -16.785 1.00 0.00 H new ATOM 1825 N LYS A 113 3.972 8.976 -14.748 1.00 0.00 N ATOM 1826 CA LYS A 113 4.781 8.644 -13.560 1.00 0.00 C ATOM 1827 C LYS A 113 5.006 9.847 -12.642 1.00 0.00 C ATOM 1828 O LYS A 113 6.031 10.530 -12.672 1.00 0.00 O ATOM 1829 CB LYS A 113 6.091 7.991 -14.003 1.00 0.00 C ATOM 1830 CG LYS A 113 6.716 7.210 -12.835 1.00 0.00 C ATOM 1831 CD LYS A 113 8.105 6.638 -13.152 1.00 0.00 C ATOM 1832 CE LYS A 113 9.132 7.747 -13.425 1.00 0.00 C ATOM 1833 NZ LYS A 113 10.510 7.202 -13.525 1.00 0.00 N ATOM 0 H LYS A 113 4.383 9.721 -15.311 1.00 0.00 H new ATOM 0 HA LYS A 113 4.224 7.929 -12.954 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.906 7.320 -14.841 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.786 8.754 -14.353 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.792 7.867 -11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.050 6.393 -12.558 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.445 6.026 -12.317 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.038 5.983 -14.021 1.00 0.00 H new ATOM 0 HE2 LYS A 113 8.875 8.262 -14.351 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.090 8.488 -12.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 11.014 7.673 -14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.016 7.371 -12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.466 6.180 -13.710 1.00 0.00 H new ATOM 1847 N GLN A 114 3.977 10.120 -11.859 1.00 0.00 N ATOM 1848 CA GLN A 114 3.818 11.325 -11.043 1.00 0.00 C ATOM 1849 C GLN A 114 4.228 11.048 -9.593 1.00 0.00 C ATOM 1850 O GLN A 114 4.206 9.907 -9.122 1.00 0.00 O ATOM 1851 CB GLN A 114 2.368 11.830 -11.129 1.00 0.00 C ATOM 1852 CG GLN A 114 1.920 11.664 -12.581 1.00 0.00 C ATOM 1853 CD GLN A 114 0.665 12.364 -12.995 1.00 0.00 C ATOM 1854 OE1 GLN A 114 -0.045 13.041 -12.261 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.387 12.203 -14.261 1.00 0.00 N ATOM 0 H GLN A 114 3.188 9.480 -11.766 1.00 0.00 H new ATOM 0 HA GLN A 114 4.473 12.106 -11.428 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.722 11.262 -10.459 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.305 12.874 -10.823 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.728 12.011 -13.225 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.792 10.599 -12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.996 11.634 -14.849 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.439 12.647 -14.662 1.00 0.00 H new ATOM 1864 N ASN A 115 4.569 12.102 -8.859 1.00 0.00 N ATOM 1865 CA ASN A 115 4.771 12.050 -7.433 1.00 0.00 C ATOM 1866 C ASN A 115 3.448 11.701 -6.725 1.00 0.00 C ATOM 1867 O ASN A 115 2.466 12.440 -6.839 1.00 0.00 O ATOM 1868 CB ASN A 115 5.344 13.410 -6.987 1.00 0.00 C ATOM 1869 CG ASN A 115 6.346 13.221 -5.876 1.00 0.00 C ATOM 1870 OD1 ASN A 115 7.454 13.740 -5.901 1.00 0.00 O ATOM 1871 ND2 ASN A 115 6.023 12.418 -4.894 1.00 0.00 N ATOM 0 H ASN A 115 4.713 13.030 -9.256 1.00 0.00 H new ATOM 0 HA ASN A 115 5.480 11.268 -7.161 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.819 13.906 -7.833 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.536 14.059 -6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.694 12.225 -4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.100 11.985 -4.872 1.00 0.00 H new ATOM 1878 N VAL A 116 3.439 10.594 -5.975 1.00 0.00 N ATOM 1879 CA VAL A 116 2.278 10.167 -5.177 1.00 0.00 C ATOM 1880 C VAL A 116 2.661 9.962 -3.709 1.00 0.00 C ATOM 1881 O VAL A 116 3.818 9.677 -3.385 1.00 0.00 O ATOM 1882 CB VAL A 116 1.582 8.937 -5.794 1.00 0.00 C ATOM 1883 CG1 VAL A 116 0.900 9.285 -7.118 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.526 7.758 -6.057 1.00 0.00 C ATOM 0 H VAL A 116 4.238 9.965 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 116 1.542 10.971 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 116 0.851 8.636 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.420 8.395 -7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.150 10.057 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.644 9.651 -7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.964 6.931 -6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.310 8.067 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.977 7.437 -5.118 1.00 0.00 H new ATOM 1894 N TYR A 117 1.682 10.134 -2.822 1.00 0.00 N ATOM 1895 CA TYR A 117 1.865 10.232 -1.373 1.00 0.00 C ATOM 1896 C TYR A 117 0.753 9.502 -0.603 1.00 0.00 C ATOM 1897 O TYR A 117 -0.364 9.331 -1.103 1.00 0.00 O ATOM 1898 CB TYR A 117 1.850 11.714 -0.968 1.00 0.00 C ATOM 1899 CG TYR A 117 2.664 12.674 -1.824 1.00 0.00 C ATOM 1900 CD1 TYR A 117 2.097 13.212 -2.997 1.00 0.00 C ATOM 1901 CD2 TYR A 117 3.953 13.074 -1.424 1.00 0.00 C ATOM 1902 CE1 TYR A 117 2.821 14.141 -3.768 1.00 0.00 C ATOM 1903 CE2 TYR A 117 4.666 14.031 -2.171 1.00 0.00 C ATOM 1904 CZ TYR A 117 4.095 14.574 -3.345 1.00 0.00 C ATOM 1905 OH TYR A 117 4.765 15.509 -4.070 1.00 0.00 O ATOM 0 H TYR A 117 0.704 10.212 -3.102 1.00 0.00 H new ATOM 0 HA TYR A 117 2.817 9.763 -1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.815 12.055 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.209 11.788 0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.106 12.911 -3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.398 12.644 -0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 117 2.400 14.523 -4.686 1.00 0.00 H new ATOM 0 HE2 TYR A 117 5.646 14.349 -1.848 1.00 0.00 H new ATOM 0 HH TYR A 117 5.627 15.698 -3.643 1.00 0.00 H new ATOM 1915 N ASP A 118 1.043 9.107 0.635 1.00 0.00 N ATOM 1916 CA ASP A 118 0.124 8.387 1.515 1.00 0.00 C ATOM 1917 C ASP A 118 0.446 8.672 2.992 1.00 0.00 C ATOM 1918 O ASP A 118 1.594 8.597 3.430 1.00 0.00 O ATOM 1919 CB ASP A 118 0.145 6.877 1.204 1.00 0.00 C ATOM 1920 CG ASP A 118 1.524 6.198 1.375 1.00 0.00 C ATOM 1921 OD1 ASP A 118 2.376 6.306 0.459 1.00 0.00 O ATOM 1922 OD2 ASP A 118 1.731 5.485 2.387 1.00 0.00 O ATOM 0 H ASP A 118 1.950 9.284 1.066 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.888 8.746 1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.573 6.377 1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.193 6.727 0.179 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.575 9.020 3.776 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.441 9.181 5.232 1.00 0.00 C ATOM 1929 C ILE A 119 -0.761 7.866 5.956 1.00 0.00 C ATOM 1930 O ILE A 119 -1.522 7.028 5.461 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.291 10.358 5.756 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.788 10.216 5.403 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.699 11.682 5.237 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.684 11.254 6.083 1.00 0.00 C ATOM 0 H ILE A 119 -1.516 9.199 3.426 1.00 0.00 H new ATOM 0 HA ILE A 119 0.598 9.430 5.450 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.250 10.352 6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.906 10.299 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.125 9.218 5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.296 12.516 5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.326 11.786 5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.708 11.682 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.720 11.090 5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.596 11.157 7.165 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.374 12.255 5.782 1.00 0.00 H new ATOM 1946 N GLY A 120 -0.190 7.701 7.149 1.00 0.00 N ATOM 1947 CA GLY A 120 -0.438 6.573 8.047 1.00 0.00 C ATOM 1948 C GLY A 120 -1.242 7.002 9.274 1.00 0.00 C ATOM 1949 O GLY A 120 -1.285 8.183 9.627 1.00 0.00 O ATOM 0 H GLY A 120 0.479 8.370 7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.978 5.792 7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 120 0.512 6.144 8.365 1.00 0.00 H new ATOM 1953 N VAL A 121 -1.879 6.037 9.937 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.826 6.263 11.044 1.00 0.00 C ATOM 1955 C VAL A 121 -2.640 5.173 12.115 1.00 0.00 C ATOM 1956 O VAL A 121 -2.143 4.083 11.827 1.00 0.00 O ATOM 1957 CB VAL A 121 -4.273 6.270 10.506 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -5.259 6.803 11.546 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -4.478 7.127 9.243 1.00 0.00 C ATOM 0 H VAL A 121 -1.752 5.049 9.718 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.629 7.233 11.501 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.458 5.224 10.264 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.267 6.793 11.131 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.226 6.173 12.435 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.988 7.824 11.815 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.522 7.075 8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.215 8.162 9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.843 6.751 8.441 1.00 0.00 H new ATOM 1969 N GLU A 122 -2.998 5.452 13.372 1.00 0.00 N ATOM 1970 CA GLU A 122 -2.832 4.510 14.489 1.00 0.00 C ATOM 1971 C GLU A 122 -3.625 3.203 14.263 1.00 0.00 C ATOM 1972 O GLU A 122 -4.857 3.190 14.352 1.00 0.00 O ATOM 1973 CB GLU A 122 -3.207 5.197 15.811 1.00 0.00 C ATOM 1974 CG GLU A 122 -2.947 4.288 17.022 1.00 0.00 C ATOM 1975 CD GLU A 122 -3.105 5.060 18.342 1.00 0.00 C ATOM 1976 OE1 GLU A 122 -4.244 5.170 18.859 1.00 0.00 O ATOM 1977 OE2 GLU A 122 -2.087 5.557 18.885 1.00 0.00 O ATOM 0 H GLU A 122 -3.414 6.342 13.647 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.783 4.218 14.544 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.633 6.117 15.918 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -4.260 5.479 15.788 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -3.641 3.447 17.004 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.941 3.873 16.959 1.00 0.00 H new ATOM 1984 N ARG A 123 -2.904 2.107 13.964 1.00 0.00 N ATOM 1985 CA ARG A 123 -3.434 0.770 13.608 1.00 0.00 C ATOM 1986 C ARG A 123 -4.463 0.778 12.457 1.00 0.00 C ATOM 1987 O ARG A 123 -5.293 -0.128 12.353 1.00 0.00 O ATOM 1988 CB ARG A 123 -3.937 0.043 14.877 1.00 0.00 C ATOM 1989 CG ARG A 123 -2.837 -0.112 15.944 1.00 0.00 C ATOM 1990 CD ARG A 123 -3.346 -0.801 17.216 1.00 0.00 C ATOM 1991 NE ARG A 123 -3.654 -2.230 17.003 1.00 0.00 N ATOM 1992 CZ ARG A 123 -3.991 -3.104 17.938 1.00 0.00 C ATOM 1993 NH1 ARG A 123 -4.105 -2.767 19.194 1.00 0.00 N ATOM 1994 NH2 ARG A 123 -4.222 -4.348 17.626 1.00 0.00 N ATOM 0 H ARG A 123 -1.884 2.127 13.963 1.00 0.00 H new ATOM 0 HA ARG A 123 -2.604 0.197 13.195 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -4.774 0.597 15.301 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -4.313 -0.942 14.602 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -2.011 -0.688 15.528 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -2.443 0.871 16.200 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.595 -0.708 18.001 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -4.241 -0.289 17.569 1.00 0.00 H new ATOM 0 HE ARG A 123 -3.602 -2.576 16.045 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -3.932 -1.804 19.481 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -4.367 -3.467 19.888 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -4.143 -4.654 16.656 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -4.481 -5.016 18.352 1.00 0.00 H new ATOM 2008 N ASP A 124 -4.389 1.773 11.573 1.00 0.00 N ATOM 2009 CA ASP A 124 -5.274 1.968 10.415 1.00 0.00 C ATOM 2010 C ASP A 124 -4.519 2.569 9.212 1.00 0.00 C ATOM 2011 O ASP A 124 -3.386 3.045 9.327 1.00 0.00 O ATOM 2012 CB ASP A 124 -6.472 2.852 10.815 1.00 0.00 C ATOM 2013 CG ASP A 124 -7.570 2.042 11.526 1.00 0.00 C ATOM 2014 OD1 ASP A 124 -8.190 1.165 10.873 1.00 0.00 O ATOM 2015 OD2 ASP A 124 -7.848 2.291 12.724 1.00 0.00 O ATOM 0 H ASP A 124 -3.678 2.501 11.644 1.00 0.00 H new ATOM 0 HA ASP A 124 -5.643 0.992 10.101 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -6.130 3.653 11.470 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -6.888 3.324 9.925 1.00 0.00 H new ATOM 2020 N HIS A 125 -5.145 2.535 8.033 1.00 0.00 N ATOM 2021 CA HIS A 125 -4.538 2.957 6.763 1.00 0.00 C ATOM 2022 C HIS A 125 -5.579 3.477 5.760 1.00 0.00 C ATOM 2023 O HIS A 125 -5.469 3.223 4.566 1.00 0.00 O ATOM 2024 CB HIS A 125 -3.660 1.821 6.188 1.00 0.00 C ATOM 2025 CG HIS A 125 -4.249 0.430 6.211 1.00 0.00 C ATOM 2026 ND1 HIS A 125 -4.196 -0.468 7.257 1.00 0.00 N ATOM 2027 CD2 HIS A 125 -4.841 -0.217 5.159 1.00 0.00 C ATOM 2028 CE1 HIS A 125 -4.758 -1.620 6.852 1.00 0.00 C ATOM 2029 NE2 HIS A 125 -5.170 -1.517 5.574 1.00 0.00 N ATOM 0 H HIS A 125 -6.106 2.208 7.930 1.00 0.00 H new ATOM 0 HA HIS A 125 -3.887 3.808 6.963 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -3.415 2.070 5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -2.722 1.802 6.742 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -5.023 0.201 4.180 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -4.864 -2.503 7.465 1.00 0.00 H new ATOM 0 HE2 HIS A 125 -5.629 -2.239 5.019 1.00 0.00 H new ATOM 2037 N ASN A 126 -6.610 4.193 6.217 1.00 0.00 N ATOM 2038 CA ASN A 126 -7.699 4.684 5.367 1.00 0.00 C ATOM 2039 C ASN A 126 -8.283 6.032 5.837 1.00 0.00 C ATOM 2040 O ASN A 126 -8.105 6.430 6.993 1.00 0.00 O ATOM 2041 CB ASN A 126 -8.779 3.587 5.276 1.00 0.00 C ATOM 2042 CG ASN A 126 -9.425 3.301 6.622 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -8.871 2.625 7.480 1.00 0.00 O ATOM 2044 ND2 ASN A 126 -10.607 3.823 6.856 1.00 0.00 N ATOM 0 H ASN A 126 -6.713 4.451 7.198 1.00 0.00 H new ATOM 0 HA ASN A 126 -7.295 4.891 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.546 3.894 4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.332 2.672 4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -11.065 3.666 7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.067 4.386 6.140 1.00 0.00 H new ATOM 2051 N PHE A 127 -8.984 6.725 4.933 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.559 8.064 5.153 1.00 0.00 C ATOM 2053 C PHE A 127 -10.601 8.436 4.081 1.00 0.00 C ATOM 2054 O PHE A 127 -10.683 7.792 3.030 1.00 0.00 O ATOM 2055 CB PHE A 127 -8.438 9.128 5.194 1.00 0.00 C ATOM 2056 CG PHE A 127 -7.428 9.077 4.057 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.795 9.449 2.748 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -6.109 8.653 4.312 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.853 9.381 1.705 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -5.166 8.600 3.269 1.00 0.00 C ATOM 2061 CZ PHE A 127 -5.538 8.966 1.966 1.00 0.00 C ATOM 0 H PHE A 127 -9.175 6.362 3.999 1.00 0.00 H new ATOM 0 HA PHE A 127 -10.074 8.039 6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.901 10.115 5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.900 9.024 6.136 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -8.801 9.787 2.545 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.820 8.367 5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.143 9.649 0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.155 8.277 3.471 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.814 8.928 1.166 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.369 9.502 4.331 1.00 0.00 N ATOM 2072 CA ALA A 128 -12.353 10.057 3.397 1.00 0.00 C ATOM 2073 C ALA A 128 -11.773 11.209 2.543 1.00 0.00 C ATOM 2074 O ALA A 128 -11.178 12.157 3.067 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.576 10.522 4.199 1.00 0.00 C ATOM 0 H ALA A 128 -11.322 10.015 5.211 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.643 9.279 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -14.320 10.938 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -14.006 9.674 4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -13.272 11.285 4.916 1.00 0.00 H new ATOM 2081 N LEU A 129 -11.980 11.142 1.222 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.705 12.222 0.263 1.00 0.00 C ATOM 2083 C LEU A 129 -12.695 13.392 0.424 1.00 0.00 C ATOM 2084 O LEU A 129 -13.757 13.240 1.034 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.774 11.680 -1.184 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.840 10.505 -1.538 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.861 10.269 -3.051 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -9.393 10.750 -1.136 1.00 0.00 C ATOM 0 H LEU A 129 -12.356 10.306 0.775 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.702 12.596 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.800 11.368 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.556 12.503 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 129 -11.212 9.643 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -10.200 9.438 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.877 10.032 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -10.521 11.169 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.787 9.887 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -9.018 11.636 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.336 10.903 -0.058 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.390 14.541 -0.198 1.00 0.00 N ATOM 2101 CA LYS A 130 -13.207 15.772 -0.146 1.00 0.00 C ATOM 2102 C LYS A 130 -14.709 15.607 -0.427 1.00 0.00 C ATOM 2103 O LYS A 130 -15.525 16.319 0.157 1.00 0.00 O ATOM 2104 CB LYS A 130 -12.614 16.842 -1.085 1.00 0.00 C ATOM 2105 CG LYS A 130 -12.699 16.518 -2.590 1.00 0.00 C ATOM 2106 CD LYS A 130 -12.311 17.722 -3.461 1.00 0.00 C ATOM 2107 CE LYS A 130 -12.820 17.542 -4.895 1.00 0.00 C ATOM 2108 NZ LYS A 130 -12.475 18.715 -5.743 1.00 0.00 N ATOM 0 H LYS A 130 -11.549 14.647 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.156 16.083 0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -13.128 17.786 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -11.567 16.993 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.042 15.679 -2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.713 16.204 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -12.727 18.635 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -11.227 17.838 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -12.387 16.639 -5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -13.901 17.404 -4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -12.833 18.563 -6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -12.909 19.572 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -11.442 18.831 -5.771 1.00 0.00 H new ATOM 2122 N ASN A 131 -15.063 14.681 -1.324 1.00 0.00 N ATOM 2123 CA ASN A 131 -16.429 14.495 -1.829 1.00 0.00 C ATOM 2124 C ASN A 131 -17.158 13.318 -1.144 1.00 0.00 C ATOM 2125 O ASN A 131 -18.344 13.091 -1.392 1.00 0.00 O ATOM 2126 CB ASN A 131 -16.343 14.303 -3.356 1.00 0.00 C ATOM 2127 CG ASN A 131 -17.524 14.893 -4.115 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -17.367 15.706 -5.015 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -18.740 14.529 -3.777 1.00 0.00 N ATOM 0 H ASN A 131 -14.394 14.025 -1.728 1.00 0.00 H new ATOM 0 HA ASN A 131 -17.025 15.376 -1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -15.423 14.761 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -16.277 13.238 -3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -19.544 14.924 -4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -18.880 13.851 -3.027 1.00 0.00 H new ATOM 2136 N GLY A 132 -16.445 12.550 -0.316 1.00 0.00 N ATOM 2137 CA GLY A 132 -16.999 11.507 0.544 1.00 0.00 C ATOM 2138 C GLY A 132 -16.388 10.114 0.359 1.00 0.00 C ATOM 2139 O GLY A 132 -16.570 9.268 1.231 1.00 0.00 O ATOM 0 H GLY A 132 -15.433 12.642 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -16.868 11.808 1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -18.072 11.442 0.364 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.695 9.856 -0.757 1.00 0.00 N ATOM 2144 CA PHE A 133 -15.160 8.532 -1.121 1.00 0.00 C ATOM 2145 C PHE A 133 -14.089 8.034 -0.137 1.00 0.00 C ATOM 2146 O PHE A 133 -13.386 8.858 0.444 1.00 0.00 O ATOM 2147 CB PHE A 133 -14.533 8.602 -2.516 1.00 0.00 C ATOM 2148 CG PHE A 133 -15.397 9.249 -3.578 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -16.577 8.613 -4.003 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -15.028 10.490 -4.132 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -17.388 9.223 -4.971 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -15.836 11.093 -5.111 1.00 0.00 C ATOM 2153 CZ PHE A 133 -17.023 10.465 -5.519 1.00 0.00 C ATOM 0 H PHE A 133 -15.484 10.575 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 133 -15.997 7.834 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -13.595 9.153 -2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -14.286 7.590 -2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -16.858 7.658 -3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -14.123 10.979 -3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -18.296 8.737 -5.296 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -15.544 12.037 -5.548 1.00 0.00 H new ATOM 0 HZ PHE A 133 -17.657 10.937 -6.255 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.880 6.717 -0.002 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.826 6.177 0.877 1.00 0.00 C ATOM 2165 C ILE A 134 -11.634 5.679 0.061 1.00 0.00 C ATOM 2166 O ILE A 134 -11.784 4.980 -0.941 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.323 5.023 1.764 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.734 5.196 2.351 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.320 4.717 2.897 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -15.031 6.515 3.065 1.00 0.00 C ATOM 0 H ILE A 134 -14.424 6.005 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 134 -12.526 7.004 1.521 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.393 4.178 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -15.455 5.079 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -14.910 4.382 3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.699 3.897 3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.359 4.435 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -12.192 5.603 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -16.058 6.508 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -14.347 6.636 3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -14.900 7.343 2.369 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.446 5.946 0.586 1.00 0.00 N ATOM 2183 CA ALA A 135 -9.152 5.515 0.065 1.00 0.00 C ATOM 2184 C ALA A 135 -8.391 4.738 1.160 1.00 0.00 C ATOM 2185 O ALA A 135 -8.475 5.109 2.332 1.00 0.00 O ATOM 2186 CB ALA A 135 -8.431 6.792 -0.394 1.00 0.00 C ATOM 0 H ALA A 135 -10.352 6.501 1.436 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.236 4.830 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.452 6.532 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.021 7.285 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -8.308 7.465 0.454 1.00 0.00 H new ATOM 2192 N SER A 136 -7.689 3.650 0.805 1.00 0.00 N ATOM 2193 CA SER A 136 -6.988 2.753 1.738 1.00 0.00 C ATOM 2194 C SER A 136 -5.605 2.318 1.208 1.00 0.00 C ATOM 2195 O SER A 136 -5.458 1.792 0.101 1.00 0.00 O ATOM 2196 CB SER A 136 -7.879 1.551 2.066 1.00 0.00 C ATOM 2197 OG SER A 136 -7.193 0.590 2.845 1.00 0.00 O ATOM 0 H SER A 136 -7.591 3.362 -0.168 1.00 0.00 H new ATOM 0 HA SER A 136 -6.793 3.304 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 136 -8.765 1.890 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.224 1.090 1.140 1.00 0.00 H new ATOM 0 HG SER A 136 -7.791 -0.162 3.037 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.569 2.561 2.018 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.151 2.474 1.666 1.00 0.00 C ATOM 2205 C ASN A 137 -2.554 1.055 1.808 1.00 0.00 C ATOM 2206 O ASN A 137 -2.309 0.600 2.952 1.00 0.00 O ATOM 2207 CB ASN A 137 -2.430 3.532 2.523 1.00 0.00 C ATOM 2208 CG ASN A 137 -0.922 3.530 2.369 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -0.367 3.302 1.302 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -0.208 3.834 3.426 1.00 0.00 N ATOM 0 H ASN A 137 -4.707 2.839 2.990 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.014 2.679 0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.810 4.519 2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.678 3.365 3.571 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.809 3.880 3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -0.669 4.024 4.316 1.00 0.00 H new TER 2217 ASN A 137