USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 681 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 102 TYR OH : rot -89:sc= -6.26! USER MOD Set 1.2: A 106 GLN :FLIP amide:sc= -0.287 F(o=-8.6,f=-6.6) USER MOD Set 2.1: A 99 LYS NZ :NH3+ -143:sc= 1.18 (180deg=-0.68) USER MOD Set 2.2: A 100 THR OG1 : rot 110:sc= 2.19 USER MOD Set 3.1: A 92 SER OG : rot 83:sc= -0.536 USER MOD Set 3.2: A 96 LYS NZ :NH3+ -110:sc= 0.0345 (180deg=0) USER MOD Set 4.1: A 46 LYS NZ :NH3+ 132:sc= 1.18 (180deg=-0.408) USER MOD Set 4.2: A 50 LYS NZ :NH3+ -127:sc= 0.326 (180deg=-0.236) USER MOD Single : A 27 THR OG1 : rot -166:sc= -4.93! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc=-0.000606 K(o=-0.00061,f=-1.3) USER MOD Single : A 41 SER OG : rot 130:sc= -2.04 USER MOD Single : A 48 CYS SG : rot -56:sc= -9.75! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= -1.07 (180deg=-1.26) USER MOD Single : A 66 THR OG1 : rot -44:sc= 0.948 USER MOD Single : A 71 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.7!) USER MOD Single : A 72 CYS SG : rot 22:sc= -1.89! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 90:sc= 1.19 USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= -0.358 (180deg=-0.425) USER MOD Single : A 81 SER OG : rot -23:sc= 0.982 USER MOD Single : A 82 ASN :FLIP amide:sc= -2.35 F(o=-4.7!,f=-2.4) USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.699 F(o=-1.8!,f=-0.7) USER MOD Single : A 87 GLN :FLIP amide:sc= -5.32! C(o=-6.6!,f=-5.3!) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.353 K(o=0.35,f=-0.41) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 30:sc= -0.657 USER MOD Single : A 110 ASN : amide:sc= -1.85! C(o=-1.8!,f=-2.1!) USER MOD Single : A 111 GLN : amide:sc= -1.95 K(o=-2,f=-3.1!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -20.440 4.425 -0.563 1.00 0.00 N ATOM 71 CA THR A 27 -19.320 4.561 -1.475 1.00 0.00 C ATOM 72 C THR A 27 -18.337 5.599 -0.936 1.00 0.00 C ATOM 73 O THR A 27 -17.137 5.527 -1.196 1.00 0.00 O ATOM 74 CB THR A 27 -19.823 4.938 -2.874 1.00 0.00 C ATOM 75 OG1 THR A 27 -19.740 3.829 -3.750 1.00 0.00 O ATOM 76 CG2 THR A 27 -19.063 6.077 -3.512 1.00 0.00 C ATOM 0 HA THR A 27 -18.797 3.608 -1.554 1.00 0.00 H new ATOM 0 HB THR A 27 -20.854 5.257 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 27 -19.850 4.134 -4.675 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.478 6.284 -4.498 1.00 0.00 H new ATOM 0 HG22 THR A 27 -19.149 6.967 -2.888 1.00 0.00 H new ATOM 0 HG23 THR A 27 -18.012 5.803 -3.610 1.00 0.00 H new ATOM 84 N LYS A 28 -18.854 6.555 -0.169 1.00 0.00 N ATOM 85 CA LYS A 28 -18.017 7.589 0.421 1.00 0.00 C ATOM 86 C LYS A 28 -17.027 6.954 1.389 1.00 0.00 C ATOM 87 O LYS A 28 -15.852 7.323 1.431 1.00 0.00 O ATOM 88 CB LYS A 28 -18.877 8.625 1.148 1.00 0.00 C ATOM 89 CG LYS A 28 -18.069 9.723 1.821 1.00 0.00 C ATOM 90 CD LYS A 28 -17.622 10.778 0.822 1.00 0.00 C ATOM 91 CE LYS A 28 -18.677 11.857 0.640 1.00 0.00 C ATOM 92 NZ LYS A 28 -18.068 13.205 0.467 1.00 0.00 N ATOM 0 H LYS A 28 -19.846 6.633 0.057 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.468 8.096 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.566 9.078 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -19.483 8.119 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.669 10.191 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.196 9.288 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.691 11.232 1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.414 10.306 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.291 11.622 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.340 11.866 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.820 13.913 0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.503 13.441 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.455 13.204 -0.373 1.00 0.00 H new ATOM 106 N GLU A 29 -17.512 5.979 2.154 1.00 0.00 N ATOM 107 CA GLU A 29 -16.673 5.271 3.108 1.00 0.00 C ATOM 108 C GLU A 29 -15.540 4.563 2.378 1.00 0.00 C ATOM 109 O GLU A 29 -14.416 4.486 2.873 1.00 0.00 O ATOM 110 CB GLU A 29 -17.504 4.258 3.897 1.00 0.00 C ATOM 111 CG GLU A 29 -17.981 4.777 5.243 1.00 0.00 C ATOM 112 CD GLU A 29 -18.594 3.689 6.103 1.00 0.00 C ATOM 113 OE1 GLU A 29 -18.985 2.641 5.546 1.00 0.00 O ATOM 114 OE2 GLU A 29 -18.683 3.884 7.334 1.00 0.00 O ATOM 0 H GLU A 29 -18.482 5.664 2.129 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.249 5.993 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.370 3.969 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -16.910 3.358 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.141 5.225 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -18.715 5.567 5.084 1.00 0.00 H new ATOM 121 N LEU A 30 -15.847 4.057 1.186 1.00 0.00 N ATOM 122 CA LEU A 30 -14.858 3.365 0.371 1.00 0.00 C ATOM 123 C LEU A 30 -13.690 4.293 0.063 1.00 0.00 C ATOM 124 O LEU A 30 -12.531 3.949 0.295 1.00 0.00 O ATOM 125 CB LEU A 30 -15.502 2.860 -0.923 1.00 0.00 C ATOM 126 CG LEU A 30 -14.538 2.589 -2.081 1.00 0.00 C ATOM 127 CD1 LEU A 30 -13.615 1.431 -1.742 1.00 0.00 C ATOM 128 CD2 LEU A 30 -15.311 2.308 -3.361 1.00 0.00 C ATOM 0 H LEU A 30 -16.774 4.114 0.765 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.479 2.507 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.044 1.940 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.238 3.593 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.926 3.477 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.936 1.251 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.038 1.675 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.208 0.535 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.611 2.117 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.947 1.435 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.930 3.170 -3.609 1.00 0.00 H new ATOM 140 N SER A 31 -14.005 5.481 -0.446 1.00 0.00 N ATOM 141 CA SER A 31 -12.979 6.466 -0.765 1.00 0.00 C ATOM 142 C SER A 31 -12.107 6.723 0.460 1.00 0.00 C ATOM 143 O SER A 31 -10.942 7.096 0.338 1.00 0.00 O ATOM 144 CB SER A 31 -13.620 7.772 -1.238 1.00 0.00 C ATOM 145 OG SER A 31 -12.661 8.624 -1.840 1.00 0.00 O ATOM 0 H SER A 31 -14.959 5.783 -0.645 1.00 0.00 H new ATOM 0 HA SER A 31 -12.357 6.075 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.415 7.553 -1.951 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.082 8.281 -0.392 1.00 0.00 H new ATOM 0 HG SER A 31 -13.097 9.451 -2.135 1.00 0.00 H new ATOM 151 N ASN A 32 -12.680 6.502 1.643 1.00 0.00 N ATOM 152 CA ASN A 32 -11.950 6.688 2.889 1.00 0.00 C ATOM 153 C ASN A 32 -10.868 5.625 3.011 1.00 0.00 C ATOM 154 O ASN A 32 -9.751 5.904 3.448 1.00 0.00 O ATOM 155 CB ASN A 32 -12.901 6.614 4.086 1.00 0.00 C ATOM 156 CG ASN A 32 -12.374 7.369 5.290 1.00 0.00 C ATOM 157 OD1 ASN A 32 -11.313 7.046 5.825 1.00 0.00 O ATOM 158 ND2 ASN A 32 -13.115 8.382 5.725 1.00 0.00 N ATOM 0 H ASN A 32 -13.645 6.195 1.761 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.486 7.674 2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.871 7.021 3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.060 5.570 4.356 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.811 8.926 6.532 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.988 8.615 5.252 1.00 0.00 H new ATOM 165 N LEU A 33 -11.202 4.407 2.592 1.00 0.00 N ATOM 166 CA LEU A 33 -10.253 3.303 2.623 1.00 0.00 C ATOM 167 C LEU A 33 -9.220 3.511 1.529 1.00 0.00 C ATOM 168 O LEU A 33 -8.018 3.370 1.749 1.00 0.00 O ATOM 169 CB LEU A 33 -10.968 1.963 2.421 1.00 0.00 C ATOM 170 CG LEU A 33 -12.375 1.870 3.020 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.125 0.688 2.429 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.306 1.765 4.537 1.00 0.00 C ATOM 0 H LEU A 33 -12.123 4.162 2.228 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.764 3.280 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.033 1.763 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.354 1.174 2.856 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.919 2.780 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.123 0.636 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.207 0.812 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.584 -0.233 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.315 1.700 4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.745 0.873 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.809 2.647 4.941 1.00 0.00 H new ATOM 184 N ILE A 34 -9.709 3.875 0.351 1.00 0.00 N ATOM 185 CA ILE A 34 -8.851 4.140 -0.789 1.00 0.00 C ATOM 186 C ILE A 34 -7.937 5.322 -0.487 1.00 0.00 C ATOM 187 O ILE A 34 -6.740 5.286 -0.773 1.00 0.00 O ATOM 188 CB ILE A 34 -9.695 4.439 -2.046 1.00 0.00 C ATOM 189 CG1 ILE A 34 -10.344 3.156 -2.561 1.00 0.00 C ATOM 190 CG2 ILE A 34 -8.858 5.088 -3.139 1.00 0.00 C ATOM 191 CD1 ILE A 34 -11.319 3.383 -3.692 1.00 0.00 C ATOM 0 H ILE A 34 -10.704 3.993 0.162 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.245 3.254 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.476 5.145 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.563 2.473 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.863 2.666 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.485 5.284 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.444 6.027 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.045 4.418 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.740 2.428 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.121 4.040 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.800 3.845 -4.532 1.00 0.00 H new ATOM 203 N GLU A 35 -8.511 6.368 0.102 1.00 0.00 N ATOM 204 CA GLU A 35 -7.749 7.558 0.452 1.00 0.00 C ATOM 205 C GLU A 35 -6.555 7.179 1.317 1.00 0.00 C ATOM 206 O GLU A 35 -5.484 7.780 1.219 1.00 0.00 O ATOM 207 CB GLU A 35 -8.635 8.565 1.189 1.00 0.00 C ATOM 208 CG GLU A 35 -9.339 9.546 0.265 1.00 0.00 C ATOM 209 CD GLU A 35 -9.259 10.976 0.763 1.00 0.00 C ATOM 210 OE1 GLU A 35 -8.167 11.391 1.203 1.00 0.00 O ATOM 211 OE2 GLU A 35 -10.289 11.681 0.712 1.00 0.00 O ATOM 0 H GLU A 35 -9.500 6.413 0.346 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.388 8.021 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.383 8.023 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.024 9.122 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.895 9.486 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.385 9.258 0.165 1.00 0.00 H new ATOM 218 N THR A 36 -6.742 6.157 2.147 1.00 0.00 N ATOM 219 CA THR A 36 -5.673 5.679 3.009 1.00 0.00 C ATOM 220 C THR A 36 -4.711 4.834 2.186 1.00 0.00 C ATOM 221 O THR A 36 -3.495 4.933 2.334 1.00 0.00 O ATOM 222 CB THR A 36 -6.248 4.882 4.191 1.00 0.00 C ATOM 223 OG1 THR A 36 -5.655 5.300 5.407 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.055 3.383 4.083 1.00 0.00 C ATOM 0 H THR A 36 -7.621 5.648 2.239 1.00 0.00 H new ATOM 0 HA THR A 36 -5.129 6.528 3.424 1.00 0.00 H new ATOM 0 HB THR A 36 -7.318 5.086 4.169 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.033 4.784 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.489 2.896 4.956 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.547 3.017 3.182 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.990 3.156 4.033 1.00 0.00 H new ATOM 232 N PHE A 37 -5.274 4.023 1.293 1.00 0.00 N ATOM 233 CA PHE A 37 -4.472 3.181 0.419 1.00 0.00 C ATOM 234 C PHE A 37 -3.560 4.057 -0.425 1.00 0.00 C ATOM 235 O PHE A 37 -2.379 3.762 -0.596 1.00 0.00 O ATOM 236 CB PHE A 37 -5.370 2.333 -0.483 1.00 0.00 C ATOM 237 CG PHE A 37 -4.700 1.109 -1.054 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.601 0.521 -0.433 1.00 0.00 C ATOM 239 CD2 PHE A 37 -5.173 0.551 -2.228 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.997 -0.597 -0.980 1.00 0.00 C ATOM 241 CE2 PHE A 37 -4.573 -0.565 -2.775 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.483 -1.139 -2.151 1.00 0.00 C ATOM 0 H PHE A 37 -6.281 3.934 1.158 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.869 2.508 1.028 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.246 2.021 0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.728 2.953 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.217 0.942 0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.024 0.995 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.145 -1.045 -0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.956 -0.989 -3.691 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.012 -2.011 -2.580 1.00 0.00 H new ATOM 252 N ALA A 38 -4.118 5.155 -0.930 1.00 0.00 N ATOM 253 CA ALA A 38 -3.352 6.096 -1.732 1.00 0.00 C ATOM 254 C ALA A 38 -2.166 6.609 -0.927 1.00 0.00 C ATOM 255 O ALA A 38 -1.068 6.781 -1.455 1.00 0.00 O ATOM 256 CB ALA A 38 -4.233 7.250 -2.187 1.00 0.00 C ATOM 0 H ALA A 38 -5.096 5.412 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.980 5.586 -2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.643 7.944 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.058 6.864 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.630 7.770 -1.315 1.00 0.00 H new ATOM 262 N GLU A 39 -2.396 6.824 0.367 1.00 0.00 N ATOM 263 CA GLU A 39 -1.346 7.287 1.261 1.00 0.00 C ATOM 264 C GLU A 39 -0.381 6.138 1.538 1.00 0.00 C ATOM 265 O GLU A 39 0.837 6.305 1.482 1.00 0.00 O ATOM 266 CB GLU A 39 -1.960 7.827 2.564 1.00 0.00 C ATOM 267 CG GLU A 39 -1.227 7.410 3.833 1.00 0.00 C ATOM 268 CD GLU A 39 -1.486 8.353 4.992 1.00 0.00 C ATOM 269 OE1 GLU A 39 -2.663 8.508 5.379 1.00 0.00 O ATOM 270 OE2 GLU A 39 -0.511 8.936 5.511 1.00 0.00 O ATOM 0 H GLU A 39 -3.301 6.684 0.816 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.794 8.102 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.983 8.916 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.994 7.489 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.536 6.403 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.156 7.371 3.634 1.00 0.00 H new ATOM 277 N GLN A 40 -0.944 4.964 1.817 1.00 0.00 N ATOM 278 CA GLN A 40 -0.146 3.777 2.078 1.00 0.00 C ATOM 279 C GLN A 40 0.708 3.452 0.859 1.00 0.00 C ATOM 280 O GLN A 40 1.849 3.009 0.984 1.00 0.00 O ATOM 281 CB GLN A 40 -1.051 2.589 2.412 1.00 0.00 C ATOM 282 CG GLN A 40 -1.911 2.803 3.647 1.00 0.00 C ATOM 283 CD GLN A 40 -1.183 2.457 4.929 1.00 0.00 C ATOM 284 OE1 GLN A 40 0.039 2.307 4.943 1.00 0.00 O ATOM 285 NE2 GLN A 40 -1.932 2.327 6.015 1.00 0.00 N ATOM 0 H GLN A 40 -1.952 4.813 1.867 1.00 0.00 H new ATOM 0 HA GLN A 40 0.504 3.971 2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.699 2.387 1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.433 1.703 2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.233 3.844 3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.811 2.194 3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.942 2.460 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.499 2.094 6.908 1.00 0.00 H new ATOM 294 N SER A 41 0.145 3.695 -0.323 1.00 0.00 N ATOM 295 CA SER A 41 0.852 3.449 -1.572 1.00 0.00 C ATOM 296 C SER A 41 2.117 4.290 -1.620 1.00 0.00 C ATOM 297 O SER A 41 3.217 3.769 -1.796 1.00 0.00 O ATOM 298 CB SER A 41 -0.046 3.773 -2.768 1.00 0.00 C ATOM 299 OG SER A 41 0.037 2.761 -3.757 1.00 0.00 O ATOM 0 H SER A 41 -0.800 4.062 -0.439 1.00 0.00 H new ATOM 0 HA SER A 41 1.123 2.394 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.079 3.876 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.247 4.731 -3.198 1.00 0.00 H new ATOM 0 HG SER A 41 -0.866 2.479 -4.013 1.00 0.00 H new ATOM 305 N ARG A 42 1.958 5.595 -1.430 1.00 0.00 N ATOM 306 CA ARG A 42 3.101 6.500 -1.422 1.00 0.00 C ATOM 307 C ARG A 42 4.018 6.143 -0.261 1.00 0.00 C ATOM 308 O ARG A 42 5.226 6.355 -0.320 1.00 0.00 O ATOM 309 CB ARG A 42 2.658 7.964 -1.302 1.00 0.00 C ATOM 310 CG ARG A 42 1.268 8.244 -1.851 1.00 0.00 C ATOM 311 CD ARG A 42 1.205 9.591 -2.553 1.00 0.00 C ATOM 312 NE ARG A 42 1.118 10.699 -1.605 1.00 0.00 N ATOM 313 CZ ARG A 42 0.701 11.921 -1.930 1.00 0.00 C ATOM 314 NH1 ARG A 42 0.334 12.196 -3.175 1.00 0.00 N ATOM 315 NH2 ARG A 42 0.652 12.871 -1.006 1.00 0.00 N ATOM 0 H ARG A 42 1.056 6.047 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 42 3.633 6.388 -2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.687 8.255 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.377 8.593 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.986 7.456 -2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.543 8.223 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.090 9.716 -3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.341 9.614 -3.217 1.00 0.00 H new ATOM 0 HE ARG A 42 1.393 10.527 -0.638 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.370 11.469 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.015 13.134 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.934 12.665 -0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.333 13.808 -1.254 1.00 0.00 H new ATOM 329 N VAL A 43 3.429 5.581 0.789 1.00 0.00 N ATOM 330 CA VAL A 43 4.187 5.172 1.957 1.00 0.00 C ATOM 331 C VAL A 43 5.097 4.005 1.601 1.00 0.00 C ATOM 332 O VAL A 43 6.298 4.040 1.855 1.00 0.00 O ATOM 333 CB VAL A 43 3.251 4.775 3.120 1.00 0.00 C ATOM 334 CG1 VAL A 43 3.887 3.723 4.014 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.876 5.999 3.932 1.00 0.00 C ATOM 0 H VAL A 43 2.427 5.400 0.851 1.00 0.00 H new ATOM 0 HA VAL A 43 4.792 6.018 2.283 1.00 0.00 H new ATOM 0 HB VAL A 43 2.348 4.342 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.200 3.468 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.105 2.831 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.813 4.115 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.216 5.706 4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.778 6.455 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.364 6.717 3.292 1.00 0.00 H new ATOM 345 N LEU A 44 4.524 2.974 0.992 1.00 0.00 N ATOM 346 CA LEU A 44 5.306 1.816 0.591 1.00 0.00 C ATOM 347 C LEU A 44 6.508 2.276 -0.219 1.00 0.00 C ATOM 348 O LEU A 44 7.636 1.885 0.054 1.00 0.00 O ATOM 349 CB LEU A 44 4.448 0.839 -0.227 1.00 0.00 C ATOM 350 CG LEU A 44 4.437 -0.627 0.245 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.495 -1.442 -0.485 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.633 -0.736 1.751 1.00 0.00 C ATOM 0 H LEU A 44 3.531 2.918 0.768 1.00 0.00 H new ATOM 0 HA LEU A 44 5.652 1.293 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.421 1.205 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.795 0.862 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 44 3.455 -1.034 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.466 -2.473 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.297 -1.418 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.480 -1.019 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.619 -1.786 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.591 -0.295 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.829 -0.206 2.262 1.00 0.00 H new ATOM 364 N GLU A 45 6.262 3.139 -1.197 1.00 0.00 N ATOM 365 CA GLU A 45 7.339 3.665 -2.019 1.00 0.00 C ATOM 366 C GLU A 45 8.294 4.493 -1.163 1.00 0.00 C ATOM 367 O GLU A 45 9.490 4.569 -1.445 1.00 0.00 O ATOM 368 CB GLU A 45 6.769 4.497 -3.179 1.00 0.00 C ATOM 369 CG GLU A 45 6.765 5.996 -2.930 1.00 0.00 C ATOM 370 CD GLU A 45 5.692 6.718 -3.723 1.00 0.00 C ATOM 371 OE1 GLU A 45 4.785 6.040 -4.250 1.00 0.00 O ATOM 372 OE2 GLU A 45 5.759 7.962 -3.817 1.00 0.00 O ATOM 0 H GLU A 45 5.333 3.486 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 45 7.899 2.834 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.350 4.291 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.748 4.171 -3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.613 6.183 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.741 6.406 -3.190 1.00 0.00 H new ATOM 379 N LYS A 46 7.756 5.103 -0.108 1.00 0.00 N ATOM 380 CA LYS A 46 8.562 5.915 0.798 1.00 0.00 C ATOM 381 C LYS A 46 9.467 5.022 1.641 1.00 0.00 C ATOM 382 O LYS A 46 10.680 5.222 1.694 1.00 0.00 O ATOM 383 CB LYS A 46 7.661 6.796 1.682 1.00 0.00 C ATOM 384 CG LYS A 46 7.491 6.317 3.122 1.00 0.00 C ATOM 385 CD LYS A 46 6.626 7.267 3.931 1.00 0.00 C ATOM 386 CE LYS A 46 6.337 6.709 5.316 1.00 0.00 C ATOM 387 NZ LYS A 46 7.338 7.166 6.319 1.00 0.00 N ATOM 0 H LYS A 46 6.768 5.050 0.139 1.00 0.00 H new ATOM 0 HA LYS A 46 9.196 6.578 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.072 7.806 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.676 6.860 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.042 5.324 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.470 6.225 3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.128 8.230 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.688 7.445 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.340 7.018 5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.335 5.620 5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.846 7.513 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.957 6.371 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.911 7.933 5.913 1.00 0.00 H new ATOM 401 N GLU A 47 8.875 4.023 2.282 1.00 0.00 N ATOM 402 CA GLU A 47 9.643 3.097 3.096 1.00 0.00 C ATOM 403 C GLU A 47 10.516 2.233 2.200 1.00 0.00 C ATOM 404 O GLU A 47 11.644 1.894 2.553 1.00 0.00 O ATOM 405 CB GLU A 47 8.715 2.213 3.932 1.00 0.00 C ATOM 406 CG GLU A 47 8.092 2.918 5.128 1.00 0.00 C ATOM 407 CD GLU A 47 9.064 3.828 5.857 1.00 0.00 C ATOM 408 OE1 GLU A 47 10.244 3.445 5.999 1.00 0.00 O ATOM 409 OE2 GLU A 47 8.643 4.923 6.285 1.00 0.00 O ATOM 0 H GLU A 47 7.873 3.836 2.253 1.00 0.00 H new ATOM 0 HA GLU A 47 10.275 3.669 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.918 1.835 3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.277 1.349 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.237 3.505 4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.711 2.171 5.824 1.00 0.00 H new ATOM 416 N CYS A 48 9.982 1.890 1.032 1.00 0.00 N ATOM 417 CA CYS A 48 10.704 1.072 0.070 1.00 0.00 C ATOM 418 C CYS A 48 11.904 1.826 -0.485 1.00 0.00 C ATOM 419 O CYS A 48 12.958 1.236 -0.720 1.00 0.00 O ATOM 420 CB CYS A 48 9.779 0.642 -1.069 1.00 0.00 C ATOM 421 SG CYS A 48 8.523 -0.564 -0.581 1.00 0.00 S ATOM 0 H CYS A 48 9.048 2.168 0.730 1.00 0.00 H new ATOM 0 HA CYS A 48 11.063 0.181 0.584 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.283 1.524 -1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.382 0.219 -1.873 1.00 0.00 H new ATOM 0 HG CYS A 48 9.101 -1.608 -0.065 1.00 0.00 H new ATOM 427 N THR A 49 11.753 3.136 -0.685 1.00 0.00 N ATOM 428 CA THR A 49 12.857 3.936 -1.199 1.00 0.00 C ATOM 429 C THR A 49 14.002 3.941 -0.191 1.00 0.00 C ATOM 430 O THR A 49 15.172 4.034 -0.562 1.00 0.00 O ATOM 431 CB THR A 49 12.403 5.366 -1.523 1.00 0.00 C ATOM 432 OG1 THR A 49 13.367 6.023 -2.326 1.00 0.00 O ATOM 433 CG2 THR A 49 12.162 6.232 -0.305 1.00 0.00 C ATOM 0 H THR A 49 10.894 3.654 -0.502 1.00 0.00 H new ATOM 0 HA THR A 49 13.208 3.489 -2.129 1.00 0.00 H new ATOM 0 HB THR A 49 11.453 5.245 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.062 6.933 -2.525 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.844 7.225 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.385 5.783 0.313 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.083 6.313 0.272 1.00 0.00 H new ATOM 441 N LYS A 50 13.650 3.822 1.088 1.00 0.00 N ATOM 442 CA LYS A 50 14.639 3.793 2.156 1.00 0.00 C ATOM 443 C LYS A 50 15.269 2.406 2.272 1.00 0.00 C ATOM 444 O LYS A 50 16.397 2.265 2.744 1.00 0.00 O ATOM 445 CB LYS A 50 13.991 4.187 3.483 1.00 0.00 C ATOM 446 CG LYS A 50 13.361 5.569 3.462 1.00 0.00 C ATOM 447 CD LYS A 50 12.141 5.641 4.362 1.00 0.00 C ATOM 448 CE LYS A 50 11.807 7.077 4.728 1.00 0.00 C ATOM 449 NZ LYS A 50 10.565 7.168 5.545 1.00 0.00 N ATOM 0 H LYS A 50 12.684 3.744 1.407 1.00 0.00 H new ATOM 0 HA LYS A 50 15.425 4.510 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.228 3.452 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.744 4.151 4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 50 14.095 6.309 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.076 5.824 2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.289 5.184 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.322 5.065 5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.638 7.513 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.687 7.665 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.908 7.844 5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.115 6.232 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.803 7.492 6.504 1.00 0.00 H new ATOM 463 N ILE A 51 14.533 1.381 1.837 1.00 0.00 N ATOM 464 CA ILE A 51 15.023 0.006 1.891 1.00 0.00 C ATOM 465 C ILE A 51 16.404 -0.106 1.255 1.00 0.00 C ATOM 466 O ILE A 51 16.609 0.285 0.106 1.00 0.00 O ATOM 467 CB ILE A 51 14.044 -0.970 1.193 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.727 -1.039 1.974 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.656 -2.364 1.044 1.00 0.00 C ATOM 470 CD1 ILE A 51 12.842 -1.769 3.293 1.00 0.00 C ATOM 0 H ILE A 51 13.597 1.479 1.444 1.00 0.00 H new ATOM 0 HA ILE A 51 15.095 -0.270 2.943 1.00 0.00 H new ATOM 0 HB ILE A 51 13.843 -0.591 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.371 -0.026 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.975 -1.534 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.942 -3.024 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.565 -2.300 0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.897 -2.763 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.872 -1.778 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.168 -2.794 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.569 -1.262 3.927 1.00 0.00 H new ATOM 606 N LEU A 60 12.506 -1.158 10.034 1.00 0.00 N ATOM 607 CA LEU A 60 11.799 -0.627 8.877 1.00 0.00 C ATOM 608 C LEU A 60 11.156 -1.767 8.092 1.00 0.00 C ATOM 609 O LEU A 60 9.950 -1.761 7.848 1.00 0.00 O ATOM 610 CB LEU A 60 12.763 0.182 7.993 1.00 0.00 C ATOM 611 CG LEU A 60 12.615 -0.006 6.478 1.00 0.00 C ATOM 612 CD1 LEU A 60 11.178 0.240 6.041 1.00 0.00 C ATOM 613 CD2 LEU A 60 13.566 0.919 5.732 1.00 0.00 C ATOM 0 HA LEU A 60 11.008 0.043 9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.631 1.240 8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.784 -0.079 8.272 1.00 0.00 H new ATOM 0 HG LEU A 60 12.873 -1.037 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.097 0.101 4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.518 -0.464 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.889 1.259 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.448 0.773 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.339 1.955 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.593 0.693 6.018 1.00 0.00 H new ATOM 625 N ARG A 61 11.967 -2.747 7.706 1.00 0.00 N ATOM 626 CA ARG A 61 11.460 -3.896 6.954 1.00 0.00 C ATOM 627 C ARG A 61 10.328 -4.563 7.726 1.00 0.00 C ATOM 628 O ARG A 61 9.348 -5.021 7.138 1.00 0.00 O ATOM 629 CB ARG A 61 12.561 -4.929 6.642 1.00 0.00 C ATOM 630 CG ARG A 61 13.938 -4.589 7.191 1.00 0.00 C ATOM 631 CD ARG A 61 14.617 -3.505 6.370 1.00 0.00 C ATOM 632 NE ARG A 61 15.009 -3.980 5.046 1.00 0.00 N ATOM 633 CZ ARG A 61 16.020 -3.475 4.344 1.00 0.00 C ATOM 634 NH1 ARG A 61 16.738 -2.470 4.827 1.00 0.00 N ATOM 635 NH2 ARG A 61 16.312 -3.971 3.150 1.00 0.00 N ATOM 0 H ARG A 61 12.969 -2.772 7.898 1.00 0.00 H new ATOM 0 HA ARG A 61 11.090 -3.520 6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.255 -5.895 7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.636 -5.042 5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.846 -4.258 8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.559 -5.485 7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.942 -2.655 6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 61 15.499 -3.148 6.902 1.00 0.00 H new ATOM 0 HE ARG A 61 14.475 -4.746 4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.517 -2.079 5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.512 -2.088 4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.761 -4.740 2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.087 -3.583 2.612 1.00 0.00 H new ATOM 649 N TYR A 62 10.459 -4.595 9.050 1.00 0.00 N ATOM 650 CA TYR A 62 9.432 -5.184 9.896 1.00 0.00 C ATOM 651 C TYR A 62 8.185 -4.316 9.864 1.00 0.00 C ATOM 652 O TYR A 62 7.096 -4.789 9.558 1.00 0.00 O ATOM 653 CB TYR A 62 9.941 -5.333 11.331 1.00 0.00 C ATOM 654 CG TYR A 62 10.307 -6.753 11.697 1.00 0.00 C ATOM 655 CD1 TYR A 62 9.353 -7.629 12.195 1.00 0.00 C ATOM 656 CD2 TYR A 62 11.607 -7.216 11.542 1.00 0.00 C ATOM 657 CE1 TYR A 62 9.683 -8.928 12.530 1.00 0.00 C ATOM 658 CE2 TYR A 62 11.946 -8.514 11.875 1.00 0.00 C ATOM 659 CZ TYR A 62 10.981 -9.366 12.368 1.00 0.00 C ATOM 660 OH TYR A 62 11.314 -10.659 12.701 1.00 0.00 O ATOM 0 H TYR A 62 11.263 -4.221 9.555 1.00 0.00 H new ATOM 0 HA TYR A 62 9.186 -6.176 9.517 1.00 0.00 H new ATOM 0 HB2 TYR A 62 10.814 -4.695 11.466 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.175 -4.975 12.019 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.336 -7.290 12.323 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.365 -6.551 11.155 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.929 -9.597 12.917 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.962 -8.859 11.750 1.00 0.00 H new ATOM 0 HH TYR A 62 12.267 -10.807 12.526 1.00 0.00 H new ATOM 670 N LYS A 63 8.359 -3.035 10.158 1.00 0.00 N ATOM 671 CA LYS A 63 7.252 -2.090 10.140 1.00 0.00 C ATOM 672 C LYS A 63 6.527 -2.159 8.797 1.00 0.00 C ATOM 673 O LYS A 63 5.310 -2.002 8.723 1.00 0.00 O ATOM 674 CB LYS A 63 7.778 -0.673 10.397 1.00 0.00 C ATOM 675 CG LYS A 63 6.769 0.431 10.117 1.00 0.00 C ATOM 676 CD LYS A 63 7.459 1.728 9.725 1.00 0.00 C ATOM 677 CE LYS A 63 7.372 1.974 8.227 1.00 0.00 C ATOM 678 NZ LYS A 63 6.267 2.911 7.882 1.00 0.00 N ATOM 0 H LYS A 63 9.258 -2.626 10.412 1.00 0.00 H new ATOM 0 HA LYS A 63 6.544 -2.349 10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.099 -0.600 11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.660 -0.508 9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.098 0.118 9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.155 0.597 11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.001 2.561 10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.505 1.691 10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.318 2.381 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.218 1.026 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.334 3.172 6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.352 2.449 8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.342 3.767 8.468 1.00 0.00 H new ATOM 692 N ILE A 64 7.294 -2.391 7.739 1.00 0.00 N ATOM 693 CA ILE A 64 6.747 -2.479 6.399 1.00 0.00 C ATOM 694 C ILE A 64 5.871 -3.723 6.223 1.00 0.00 C ATOM 695 O ILE A 64 4.705 -3.621 5.843 1.00 0.00 O ATOM 696 CB ILE A 64 7.893 -2.472 5.355 1.00 0.00 C ATOM 697 CG1 ILE A 64 7.946 -1.117 4.651 1.00 0.00 C ATOM 698 CG2 ILE A 64 7.749 -3.600 4.342 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.908 -1.063 3.482 1.00 0.00 C ATOM 0 H ILE A 64 8.304 -2.522 7.789 1.00 0.00 H new ATOM 0 HA ILE A 64 6.112 -1.608 6.241 1.00 0.00 H new ATOM 0 HB ILE A 64 8.830 -2.638 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.947 -0.865 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.229 -0.354 5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.573 -3.557 3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.767 -4.559 4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.804 -3.493 3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.885 -0.068 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.917 -1.282 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.614 -1.800 2.735 1.00 0.00 H new ATOM 711 N GLU A 65 6.449 -4.895 6.474 1.00 0.00 N ATOM 712 CA GLU A 65 5.731 -6.157 6.312 1.00 0.00 C ATOM 713 C GLU A 65 4.779 -6.435 7.472 1.00 0.00 C ATOM 714 O GLU A 65 3.816 -7.185 7.321 1.00 0.00 O ATOM 715 CB GLU A 65 6.725 -7.311 6.172 1.00 0.00 C ATOM 716 CG GLU A 65 7.576 -7.231 4.914 1.00 0.00 C ATOM 717 CD GLU A 65 7.439 -8.460 4.037 1.00 0.00 C ATOM 718 OE1 GLU A 65 8.128 -9.465 4.312 1.00 0.00 O ATOM 719 OE2 GLU A 65 6.644 -8.418 3.075 1.00 0.00 O ATOM 0 H GLU A 65 7.413 -4.997 6.791 1.00 0.00 H new ATOM 0 HA GLU A 65 5.130 -6.072 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.380 -7.324 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.177 -8.253 6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.290 -6.348 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.622 -7.105 5.195 1.00 0.00 H new ATOM 726 N THR A 66 5.061 -5.856 8.633 1.00 0.00 N ATOM 727 CA THR A 66 4.236 -6.071 9.807 1.00 0.00 C ATOM 728 C THR A 66 3.223 -4.944 10.019 1.00 0.00 C ATOM 729 O THR A 66 2.285 -5.096 10.802 1.00 0.00 O ATOM 730 CB THR A 66 5.126 -6.203 11.039 1.00 0.00 C ATOM 731 OG1 THR A 66 5.590 -4.934 11.468 1.00 0.00 O ATOM 732 CG2 THR A 66 6.334 -7.088 10.819 1.00 0.00 C ATOM 0 H THR A 66 5.856 -5.234 8.783 1.00 0.00 H new ATOM 0 HA THR A 66 3.672 -6.990 9.649 1.00 0.00 H new ATOM 0 HB THR A 66 4.494 -6.666 11.797 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.885 -4.414 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.921 -7.136 11.736 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.005 -8.091 10.545 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.946 -6.675 10.017 1.00 0.00 H new ATOM 740 N GLU A 67 3.410 -3.811 9.341 1.00 0.00 N ATOM 741 CA GLU A 67 2.492 -2.685 9.505 1.00 0.00 C ATOM 742 C GLU A 67 2.023 -2.110 8.163 1.00 0.00 C ATOM 743 O GLU A 67 0.822 -1.952 7.942 1.00 0.00 O ATOM 744 CB GLU A 67 3.147 -1.595 10.372 1.00 0.00 C ATOM 745 CG GLU A 67 3.135 -0.199 9.761 1.00 0.00 C ATOM 746 CD GLU A 67 3.543 0.875 10.752 1.00 0.00 C ATOM 747 OE1 GLU A 67 4.098 0.523 11.815 1.00 0.00 O ATOM 748 OE2 GLU A 67 3.308 2.067 10.466 1.00 0.00 O ATOM 0 H GLU A 67 4.174 -3.650 8.685 1.00 0.00 H new ATOM 0 HA GLU A 67 1.601 -3.058 10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.636 -1.560 11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.180 -1.881 10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.811 -0.175 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.136 0.020 9.384 1.00 0.00 H new ATOM 755 N LEU A 68 2.961 -1.775 7.280 1.00 0.00 N ATOM 756 CA LEU A 68 2.604 -1.195 5.986 1.00 0.00 C ATOM 757 C LEU A 68 1.833 -2.186 5.113 1.00 0.00 C ATOM 758 O LEU A 68 0.602 -2.206 5.136 1.00 0.00 O ATOM 759 CB LEU A 68 3.851 -0.697 5.248 1.00 0.00 C ATOM 760 CG LEU A 68 4.522 0.539 5.855 1.00 0.00 C ATOM 761 CD1 LEU A 68 5.573 1.094 4.905 1.00 0.00 C ATOM 762 CD2 LEU A 68 3.487 1.604 6.187 1.00 0.00 C ATOM 0 H LEU A 68 3.963 -1.893 7.433 1.00 0.00 H new ATOM 0 HA LEU A 68 1.950 -0.346 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.580 -1.506 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.577 -0.472 4.217 1.00 0.00 H new ATOM 0 HG LEU A 68 5.015 0.242 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.040 1.972 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.332 0.334 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.101 1.374 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.984 2.473 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.963 1.899 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.771 1.204 6.905 1.00 0.00 H new ATOM 774 N ILE A 69 2.558 -2.994 4.336 1.00 0.00 N ATOM 775 CA ILE A 69 1.944 -3.978 3.444 1.00 0.00 C ATOM 776 C ILE A 69 0.690 -4.612 4.054 1.00 0.00 C ATOM 777 O ILE A 69 -0.388 -4.550 3.464 1.00 0.00 O ATOM 778 CB ILE A 69 2.960 -5.075 3.058 1.00 0.00 C ATOM 779 CG1 ILE A 69 3.993 -4.493 2.093 1.00 0.00 C ATOM 780 CG2 ILE A 69 2.265 -6.282 2.438 1.00 0.00 C ATOM 781 CD1 ILE A 69 5.239 -5.333 1.954 1.00 0.00 C ATOM 0 H ILE A 69 3.578 -2.985 4.308 1.00 0.00 H new ATOM 0 HA ILE A 69 1.637 -3.442 2.546 1.00 0.00 H new ATOM 0 HB ILE A 69 3.463 -5.419 3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.534 -4.376 1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.274 -3.497 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.008 -7.036 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.558 -6.702 3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.732 -5.973 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.924 -4.855 1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.723 -5.429 2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.971 -6.322 1.582 1.00 0.00 H new ATOM 793 N PRO A 70 0.805 -5.226 5.243 1.00 0.00 N ATOM 794 CA PRO A 70 -0.334 -5.858 5.912 1.00 0.00 C ATOM 795 C PRO A 70 -1.545 -4.937 5.973 1.00 0.00 C ATOM 796 O PRO A 70 -2.686 -5.387 5.887 1.00 0.00 O ATOM 797 CB PRO A 70 0.179 -6.148 7.330 1.00 0.00 C ATOM 798 CG PRO A 70 1.500 -5.457 7.435 1.00 0.00 C ATOM 799 CD PRO A 70 2.032 -5.356 6.036 1.00 0.00 C ATOM 0 HA PRO A 70 -0.667 -6.749 5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.518 -5.776 8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.284 -7.220 7.496 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.388 -4.469 7.881 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.184 -6.019 8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.689 -4.495 5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.606 -6.239 5.755 1.00 0.00 H new ATOM 807 N ASN A 71 -1.284 -3.645 6.133 1.00 0.00 N ATOM 808 CA ASN A 71 -2.349 -2.652 6.218 1.00 0.00 C ATOM 809 C ASN A 71 -2.780 -2.173 4.835 1.00 0.00 C ATOM 810 O ASN A 71 -3.957 -1.891 4.610 1.00 0.00 O ATOM 811 CB ASN A 71 -1.896 -1.460 7.063 1.00 0.00 C ATOM 812 CG ASN A 71 -1.858 -1.782 8.544 1.00 0.00 C ATOM 813 OD1 ASN A 71 -2.367 -2.814 8.981 1.00 0.00 O ATOM 814 ND2 ASN A 71 -1.251 -0.896 9.327 1.00 0.00 N ATOM 0 H ASN A 71 -0.342 -3.260 6.207 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.207 -3.128 6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.905 -1.143 6.737 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.571 -0.621 6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.194 -1.059 10.332 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.842 -0.053 8.923 1.00 0.00 H new ATOM 821 N CYS A 72 -1.830 -2.084 3.908 1.00 0.00 N ATOM 822 CA CYS A 72 -2.139 -1.639 2.554 1.00 0.00 C ATOM 823 C CYS A 72 -3.064 -2.636 1.875 1.00 0.00 C ATOM 824 O CYS A 72 -4.141 -2.277 1.401 1.00 0.00 O ATOM 825 CB CYS A 72 -0.864 -1.458 1.722 1.00 0.00 C ATOM 826 SG CYS A 72 0.530 -0.745 2.627 1.00 0.00 S ATOM 0 H CYS A 72 -0.849 -2.312 4.068 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.638 -0.672 2.624 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.564 -2.428 1.325 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.091 -0.820 0.868 1.00 0.00 H new ATOM 0 HG CYS A 72 0.361 -0.933 3.902 1.00 0.00 H new ATOM 832 N THR A 73 -2.645 -3.894 1.847 1.00 0.00 N ATOM 833 CA THR A 73 -3.449 -4.942 1.243 1.00 0.00 C ATOM 834 C THR A 73 -4.735 -5.127 2.039 1.00 0.00 C ATOM 835 O THR A 73 -5.817 -5.241 1.468 1.00 0.00 O ATOM 836 CB THR A 73 -2.661 -6.250 1.179 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.255 -7.152 0.263 1.00 0.00 O ATOM 838 CG2 THR A 73 -2.561 -6.948 2.514 1.00 0.00 C ATOM 0 H THR A 73 -1.756 -4.210 2.234 1.00 0.00 H new ATOM 0 HA THR A 73 -3.705 -4.651 0.224 1.00 0.00 H new ATOM 0 HB THR A 73 -1.658 -5.969 0.857 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.734 -7.982 0.236 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.990 -7.870 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.059 -6.296 3.229 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.561 -7.183 2.877 1.00 0.00 H new ATOM 846 N SER A 74 -4.618 -5.120 3.367 1.00 0.00 N ATOM 847 CA SER A 74 -5.792 -5.249 4.221 1.00 0.00 C ATOM 848 C SER A 74 -6.785 -4.153 3.862 1.00 0.00 C ATOM 849 O SER A 74 -7.999 -4.331 3.959 1.00 0.00 O ATOM 850 CB SER A 74 -5.407 -5.148 5.698 1.00 0.00 C ATOM 851 OG SER A 74 -4.917 -6.386 6.184 1.00 0.00 O ATOM 0 H SER A 74 -3.734 -5.028 3.867 1.00 0.00 H new ATOM 0 HA SER A 74 -6.245 -6.227 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.647 -4.377 5.827 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.274 -4.842 6.283 1.00 0.00 H new ATOM 0 HG SER A 74 -3.946 -6.425 6.060 1.00 0.00 H new ATOM 857 N VAL A 75 -6.242 -3.024 3.414 1.00 0.00 N ATOM 858 CA VAL A 75 -7.045 -1.892 2.997 1.00 0.00 C ATOM 859 C VAL A 75 -7.728 -2.217 1.667 1.00 0.00 C ATOM 860 O VAL A 75 -8.832 -1.748 1.391 1.00 0.00 O ATOM 861 CB VAL A 75 -6.161 -0.620 2.888 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.301 0.073 1.543 1.00 0.00 C ATOM 863 CG2 VAL A 75 -6.471 0.347 4.020 1.00 0.00 C ATOM 0 H VAL A 75 -5.236 -2.874 3.332 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.817 -1.693 3.740 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.125 -0.947 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.662 0.956 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.003 -0.611 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.338 0.372 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.841 1.232 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.519 0.641 3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.275 -0.138 4.976 1.00 0.00 H new ATOM 873 N ARG A 76 -7.070 -3.055 0.863 1.00 0.00 N ATOM 874 CA ARG A 76 -7.619 -3.481 -0.417 1.00 0.00 C ATOM 875 C ARG A 76 -8.855 -4.332 -0.179 1.00 0.00 C ATOM 876 O ARG A 76 -9.941 -4.017 -0.660 1.00 0.00 O ATOM 877 CB ARG A 76 -6.593 -4.305 -1.198 1.00 0.00 C ATOM 878 CG ARG A 76 -5.349 -3.533 -1.602 1.00 0.00 C ATOM 879 CD ARG A 76 -4.333 -4.445 -2.270 1.00 0.00 C ATOM 880 NE ARG A 76 -4.897 -5.133 -3.427 1.00 0.00 N ATOM 881 CZ ARG A 76 -4.188 -5.899 -4.253 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.888 -6.076 -4.053 1.00 0.00 N ATOM 883 NH2 ARG A 76 -4.781 -6.490 -5.281 1.00 0.00 N ATOM 0 H ARG A 76 -6.155 -3.450 1.080 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.877 -2.594 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.295 -5.161 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -7.069 -4.700 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.622 -2.727 -2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.903 -3.069 -0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.469 -3.859 -2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.976 -5.180 -1.549 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.893 -5.020 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.427 -5.624 -3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.350 -6.664 -4.689 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.780 -6.358 -5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.238 -7.077 -5.914 1.00 0.00 H new ATOM 897 N ASP A 77 -8.678 -5.414 0.581 1.00 0.00 N ATOM 898 CA ASP A 77 -9.780 -6.316 0.900 1.00 0.00 C ATOM 899 C ASP A 77 -10.995 -5.523 1.362 1.00 0.00 C ATOM 900 O ASP A 77 -12.134 -5.868 1.050 1.00 0.00 O ATOM 901 CB ASP A 77 -9.359 -7.311 1.984 1.00 0.00 C ATOM 902 CG ASP A 77 -9.968 -8.684 1.776 1.00 0.00 C ATOM 903 OD1 ASP A 77 -9.557 -9.377 0.822 1.00 0.00 O ATOM 904 OD2 ASP A 77 -10.855 -9.066 2.568 1.00 0.00 O ATOM 0 H ASP A 77 -7.782 -5.685 0.986 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.044 -6.871 -0.000 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.272 -7.396 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.657 -6.928 2.960 1.00 0.00 H new ATOM 909 N LYS A 78 -10.736 -4.445 2.094 1.00 0.00 N ATOM 910 CA LYS A 78 -11.802 -3.586 2.584 1.00 0.00 C ATOM 911 C LYS A 78 -12.476 -2.883 1.415 1.00 0.00 C ATOM 912 O LYS A 78 -13.701 -2.773 1.358 1.00 0.00 O ATOM 913 CB LYS A 78 -11.243 -2.559 3.573 1.00 0.00 C ATOM 914 CG LYS A 78 -11.150 -3.077 5.000 1.00 0.00 C ATOM 915 CD LYS A 78 -11.647 -2.048 6.002 1.00 0.00 C ATOM 916 CE LYS A 78 -10.705 -0.859 6.092 1.00 0.00 C ATOM 917 NZ LYS A 78 -11.171 0.144 7.090 1.00 0.00 N ATOM 0 H LYS A 78 -9.797 -4.147 2.360 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.541 -4.197 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.251 -2.250 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.875 -1.671 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.736 -3.991 5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.116 -3.337 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.640 -1.706 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.744 -2.512 6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.708 -1.205 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.622 -0.386 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.559 0.984 7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.151 0.418 6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.129 -0.269 8.043 1.00 0.00 H new ATOM 931 N ILE A 79 -11.661 -2.427 0.471 1.00 0.00 N ATOM 932 CA ILE A 79 -12.163 -1.753 -0.713 1.00 0.00 C ATOM 933 C ILE A 79 -12.836 -2.753 -1.644 1.00 0.00 C ATOM 934 O ILE A 79 -13.907 -2.488 -2.191 1.00 0.00 O ATOM 935 CB ILE A 79 -11.017 -1.036 -1.458 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.572 0.198 -0.675 1.00 0.00 C ATOM 937 CG2 ILE A 79 -11.433 -0.653 -2.871 1.00 0.00 C ATOM 938 CD1 ILE A 79 -9.173 0.656 -1.017 1.00 0.00 C ATOM 0 H ILE A 79 -10.645 -2.514 0.506 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.895 -1.010 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.177 -1.726 -1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -11.270 1.013 -0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.624 -0.020 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.605 -0.150 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.700 -1.551 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.292 0.017 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.923 1.536 -0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.465 -0.143 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.121 0.906 -2.077 1.00 0.00 H new ATOM 950 N GLU A 80 -12.202 -3.907 -1.814 1.00 0.00 N ATOM 951 CA GLU A 80 -12.736 -4.952 -2.671 1.00 0.00 C ATOM 952 C GLU A 80 -14.005 -5.540 -2.065 1.00 0.00 C ATOM 953 O GLU A 80 -14.922 -5.936 -2.785 1.00 0.00 O ATOM 954 CB GLU A 80 -11.697 -6.055 -2.881 1.00 0.00 C ATOM 955 CG GLU A 80 -10.385 -5.551 -3.460 1.00 0.00 C ATOM 956 CD GLU A 80 -9.430 -6.677 -3.804 1.00 0.00 C ATOM 957 OE1 GLU A 80 -9.888 -7.693 -4.367 1.00 0.00 O ATOM 958 OE2 GLU A 80 -8.224 -6.542 -3.509 1.00 0.00 O ATOM 0 H GLU A 80 -11.315 -4.141 -1.367 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.979 -4.511 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.500 -6.544 -1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.112 -6.812 -3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.589 -4.965 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.909 -4.882 -2.743 1.00 0.00 H new ATOM 965 N SER A 81 -14.058 -5.583 -0.735 1.00 0.00 N ATOM 966 CA SER A 81 -15.226 -6.111 -0.043 1.00 0.00 C ATOM 967 C SER A 81 -16.438 -5.236 -0.329 1.00 0.00 C ATOM 968 O SER A 81 -17.566 -5.721 -0.415 1.00 0.00 O ATOM 969 CB SER A 81 -14.972 -6.183 1.464 1.00 0.00 C ATOM 970 OG SER A 81 -14.795 -4.890 2.016 1.00 0.00 O ATOM 0 H SER A 81 -13.310 -5.260 -0.121 1.00 0.00 H new ATOM 0 HA SER A 81 -15.420 -7.120 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.810 -6.679 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.087 -6.788 1.658 1.00 0.00 H new ATOM 0 HG SER A 81 -14.511 -4.270 1.312 1.00 0.00 H new ATOM 976 N ASN A 82 -16.188 -3.941 -0.489 1.00 0.00 N ATOM 977 CA ASN A 82 -17.246 -2.985 -0.781 1.00 0.00 C ATOM 978 C ASN A 82 -17.677 -3.101 -2.241 1.00 0.00 C ATOM 979 O ASN A 82 -17.054 -2.522 -3.130 1.00 0.00 O ATOM 980 CB ASN A 82 -16.757 -1.568 -0.485 1.00 0.00 C ATOM 981 CG ASN A 82 -17.891 -0.579 -0.331 1.00 0.00 C ATOM 982 OD1 ASN A 82 -17.785 0.543 -1.026 1.00 0.00 O flip ATOM 983 ND2 ASN A 82 -18.850 -0.821 0.402 1.00 0.00 N flip ATOM 0 H ASN A 82 -15.257 -3.529 -0.421 1.00 0.00 H new ATOM 0 HA ASN A 82 -18.106 -3.204 -0.149 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.162 -1.577 0.428 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -16.100 -1.239 -1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.888 -1.700 0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -19.606 -0.143 0.493 1.00 0.00 H new ATOM 990 N ILE A 83 -18.738 -3.868 -2.481 1.00 0.00 N ATOM 991 CA ILE A 83 -19.250 -4.085 -3.834 1.00 0.00 C ATOM 992 C ILE A 83 -19.325 -2.790 -4.639 1.00 0.00 C ATOM 993 O ILE A 83 -19.189 -2.805 -5.862 1.00 0.00 O ATOM 994 CB ILE A 83 -20.644 -4.742 -3.809 1.00 0.00 C ATOM 995 CG1 ILE A 83 -21.060 -5.160 -5.221 1.00 0.00 C ATOM 996 CG2 ILE A 83 -21.670 -3.793 -3.208 1.00 0.00 C ATOM 997 CD1 ILE A 83 -20.076 -6.094 -5.892 1.00 0.00 C ATOM 0 H ILE A 83 -19.263 -4.352 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 83 -18.541 -4.755 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 83 -20.596 -5.634 -3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -22.035 -5.645 -5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -21.177 -4.267 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -22.648 -4.274 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -21.379 -3.541 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -21.719 -2.883 -3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -20.437 -6.347 -6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -19.105 -5.604 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -19.976 -7.004 -5.300 1.00 0.00 H new ATOM 1009 N LEU A 84 -19.537 -1.671 -3.953 1.00 0.00 N ATOM 1010 CA LEU A 84 -19.622 -0.378 -4.624 1.00 0.00 C ATOM 1011 C LEU A 84 -18.396 -0.140 -5.502 1.00 0.00 C ATOM 1012 O LEU A 84 -18.442 0.648 -6.446 1.00 0.00 O ATOM 1013 CB LEU A 84 -19.761 0.747 -3.599 1.00 0.00 C ATOM 1014 CG LEU A 84 -21.193 1.043 -3.152 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -21.204 1.622 -1.747 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -21.870 1.993 -4.128 1.00 0.00 C ATOM 0 H LEU A 84 -19.652 -1.633 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 84 -20.506 -0.385 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.168 0.493 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -19.333 1.657 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 84 -21.751 0.107 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -22.231 1.826 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.758 0.907 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.630 2.548 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -22.888 2.193 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -21.312 2.929 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -21.895 1.540 -5.119 1.00 0.00 H new ATOM 1028 N ILE A 85 -17.304 -0.834 -5.191 1.00 0.00 N ATOM 1029 CA ILE A 85 -16.075 -0.703 -5.961 1.00 0.00 C ATOM 1030 C ILE A 85 -16.246 -1.306 -7.353 1.00 0.00 C ATOM 1031 O ILE A 85 -15.582 -0.897 -8.305 1.00 0.00 O ATOM 1032 CB ILE A 85 -14.887 -1.383 -5.244 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -13.586 -1.151 -6.013 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -15.145 -2.871 -5.072 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -12.763 -0.003 -5.476 1.00 0.00 C ATOM 0 H ILE A 85 -17.247 -1.491 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 85 -15.860 0.361 -6.054 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.786 -0.935 -4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -12.988 -2.062 -5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.822 -0.960 -7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -14.297 -3.331 -4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.046 -3.018 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -15.277 -3.333 -6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.855 0.103 -6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -13.343 0.918 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.496 -0.201 -4.438 1.00 0.00 H new ATOM 1047 N HIS A 86 -17.148 -2.278 -7.465 1.00 0.00 N ATOM 1048 CA HIS A 86 -17.411 -2.931 -8.743 1.00 0.00 C ATOM 1049 C HIS A 86 -18.484 -2.180 -9.528 1.00 0.00 C ATOM 1050 O HIS A 86 -18.539 -2.260 -10.755 1.00 0.00 O ATOM 1051 CB HIS A 86 -17.846 -4.380 -8.518 1.00 0.00 C ATOM 1052 CG HIS A 86 -16.733 -5.276 -8.069 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -16.180 -5.458 -6.846 1.00 0.00 N flip ATOM 1054 CD2 HIS A 86 -16.053 -6.119 -8.924 1.00 0.00 C flip ATOM 1055 CE1 HIS A 86 -15.188 -6.397 -6.984 1.00 0.00 C flip ATOM 1056 NE2 HIS A 86 -15.132 -6.781 -8.246 1.00 0.00 N flip ATOM 0 H HIS A 86 -17.707 -2.630 -6.688 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.489 -2.922 -9.324 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.641 -4.401 -7.773 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -18.267 -4.773 -9.444 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -16.244 -6.222 -9.982 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -14.555 -6.763 -6.189 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.488 -7.471 -8.632 1.00 0.00 H new ATOM 1065 N GLN A 87 -19.336 -1.451 -8.811 1.00 0.00 N ATOM 1066 CA GLN A 87 -20.407 -0.686 -9.439 1.00 0.00 C ATOM 1067 C GLN A 87 -19.885 0.653 -9.951 1.00 0.00 C ATOM 1068 O GLN A 87 -20.155 1.048 -11.085 1.00 0.00 O ATOM 1069 CB GLN A 87 -21.556 -0.480 -8.440 1.00 0.00 C ATOM 1070 CG GLN A 87 -21.654 0.927 -7.863 1.00 0.00 C ATOM 1071 CD GLN A 87 -22.829 1.089 -6.918 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -22.984 0.145 -5.997 1.00 0.00 O flip ATOM 1073 NE2 GLN A 87 -23.589 2.053 -7.014 1.00 0.00 N flip ATOM 0 H GLN A 87 -19.304 -1.375 -7.794 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.785 -1.245 -10.295 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -22.497 -0.721 -8.935 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -21.437 -1.187 -7.619 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -20.731 1.164 -7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -21.747 1.644 -8.678 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -23.433 2.756 -7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -24.375 2.149 -6.371 1.00 0.00 H new ATOM 1082 N ASN A 88 -19.138 1.346 -9.100 1.00 0.00 N ATOM 1083 CA ASN A 88 -18.576 2.644 -9.455 1.00 0.00 C ATOM 1084 C ASN A 88 -17.326 2.479 -10.314 1.00 0.00 C ATOM 1085 O ASN A 88 -16.237 2.225 -9.801 1.00 0.00 O ATOM 1086 CB ASN A 88 -18.238 3.441 -8.192 1.00 0.00 C ATOM 1087 CG ASN A 88 -19.336 4.416 -7.813 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -20.520 4.140 -8.004 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -18.946 5.565 -7.274 1.00 0.00 N ATOM 0 H ASN A 88 -18.907 1.031 -8.158 1.00 0.00 H new ATOM 0 HA ASN A 88 -19.323 3.189 -10.032 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -18.067 2.751 -7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -17.308 3.988 -8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -19.639 6.261 -7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -17.953 5.752 -7.134 1.00 0.00 H new ATOM 1096 N GLY A 89 -17.494 2.626 -11.625 1.00 0.00 N ATOM 1097 CA GLY A 89 -16.375 2.491 -12.540 1.00 0.00 C ATOM 1098 C GLY A 89 -15.212 3.392 -12.174 1.00 0.00 C ATOM 1099 O GLY A 89 -14.054 2.977 -12.231 1.00 0.00 O ATOM 0 H GLY A 89 -18.387 2.837 -12.070 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.039 1.454 -12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.707 2.725 -13.552 1.00 0.00 H new ATOM 1103 N LYS A 90 -15.520 4.628 -11.795 1.00 0.00 N ATOM 1104 CA LYS A 90 -14.491 5.589 -11.415 1.00 0.00 C ATOM 1105 C LYS A 90 -13.676 5.069 -10.237 1.00 0.00 C ATOM 1106 O LYS A 90 -12.485 4.788 -10.369 1.00 0.00 O ATOM 1107 CB LYS A 90 -15.125 6.935 -11.059 1.00 0.00 C ATOM 1108 CG LYS A 90 -14.154 8.103 -11.134 1.00 0.00 C ATOM 1109 CD LYS A 90 -14.063 8.662 -12.545 1.00 0.00 C ATOM 1110 CE LYS A 90 -13.948 10.179 -12.539 1.00 0.00 C ATOM 1111 NZ LYS A 90 -12.657 10.640 -13.119 1.00 0.00 N ATOM 0 H LYS A 90 -16.473 4.987 -11.743 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.823 5.726 -12.265 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -15.960 7.124 -11.733 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -15.536 6.879 -10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.475 8.889 -10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.167 7.778 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.199 8.233 -13.052 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.945 8.365 -13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.774 10.608 -13.106 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.038 10.546 -11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.618 11.679 -13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.868 10.252 -12.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.582 10.312 -14.103 1.00 0.00 H new ATOM 1125 N LEU A 91 -14.325 4.942 -9.083 1.00 0.00 N ATOM 1126 CA LEU A 91 -13.659 4.454 -7.881 1.00 0.00 C ATOM 1127 C LEU A 91 -12.982 3.114 -8.133 1.00 0.00 C ATOM 1128 O LEU A 91 -11.871 2.871 -7.662 1.00 0.00 O ATOM 1129 CB LEU A 91 -14.660 4.320 -6.739 1.00 0.00 C ATOM 1130 CG LEU A 91 -14.800 5.562 -5.865 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -15.893 5.355 -4.831 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -13.473 5.894 -5.193 1.00 0.00 C ATOM 0 H LEU A 91 -15.311 5.170 -8.956 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.893 5.179 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.636 4.074 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -14.362 3.481 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 91 -15.079 6.405 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.983 6.248 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.840 5.166 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.641 4.502 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.591 6.783 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -13.161 5.056 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.716 6.081 -5.955 1.00 0.00 H new ATOM 1144 N SER A 92 -13.656 2.247 -8.884 1.00 0.00 N ATOM 1145 CA SER A 92 -13.115 0.929 -9.204 1.00 0.00 C ATOM 1146 C SER A 92 -11.671 1.051 -9.672 1.00 0.00 C ATOM 1147 O SER A 92 -10.809 0.259 -9.288 1.00 0.00 O ATOM 1148 CB SER A 92 -13.960 0.252 -10.284 1.00 0.00 C ATOM 1149 OG SER A 92 -13.677 -1.134 -10.360 1.00 0.00 O ATOM 0 H SER A 92 -14.577 2.433 -9.282 1.00 0.00 H new ATOM 0 HA SER A 92 -13.144 0.316 -8.303 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.018 0.399 -10.067 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.765 0.720 -11.249 1.00 0.00 H new ATOM 0 HG SER A 92 -14.197 -1.612 -9.681 1.00 0.00 H new ATOM 1155 N ALA A 93 -11.416 2.065 -10.489 1.00 0.00 N ATOM 1156 CA ALA A 93 -10.077 2.317 -11.002 1.00 0.00 C ATOM 1157 C ALA A 93 -9.195 2.914 -9.912 1.00 0.00 C ATOM 1158 O ALA A 93 -7.984 2.697 -9.886 1.00 0.00 O ATOM 1159 CB ALA A 93 -10.139 3.246 -12.203 1.00 0.00 C ATOM 0 H ALA A 93 -12.122 2.728 -10.811 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.641 1.369 -11.319 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.131 3.426 -12.576 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.740 2.787 -12.988 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.591 4.193 -11.908 1.00 0.00 H new ATOM 1165 N ASP A 94 -9.820 3.666 -9.009 1.00 0.00 N ATOM 1166 CA ASP A 94 -9.108 4.299 -7.903 1.00 0.00 C ATOM 1167 C ASP A 94 -8.202 3.300 -7.190 1.00 0.00 C ATOM 1168 O ASP A 94 -6.980 3.368 -7.300 1.00 0.00 O ATOM 1169 CB ASP A 94 -10.103 4.899 -6.908 1.00 0.00 C ATOM 1170 CG ASP A 94 -9.709 6.296 -6.467 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -8.533 6.492 -6.095 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -10.578 7.193 -6.492 1.00 0.00 O ATOM 0 H ASP A 94 -10.823 3.852 -9.023 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.486 5.094 -8.314 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.093 4.930 -7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.174 4.252 -6.034 1.00 0.00 H new ATOM 1177 N PHE A 95 -8.816 2.374 -6.461 1.00 0.00 N ATOM 1178 CA PHE A 95 -8.077 1.357 -5.724 1.00 0.00 C ATOM 1179 C PHE A 95 -7.192 0.534 -6.661 1.00 0.00 C ATOM 1180 O PHE A 95 -6.049 0.220 -6.331 1.00 0.00 O ATOM 1181 CB PHE A 95 -9.062 0.456 -4.969 1.00 0.00 C ATOM 1182 CG PHE A 95 -8.777 -1.016 -5.081 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -9.273 -1.746 -6.147 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -8.014 -1.668 -4.123 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -9.017 -3.098 -6.259 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -7.755 -3.019 -4.230 1.00 0.00 C ATOM 1187 CZ PHE A 95 -8.256 -3.736 -5.299 1.00 0.00 C ATOM 0 H PHE A 95 -9.829 2.308 -6.365 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.422 1.848 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -9.055 0.735 -3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -10.068 0.647 -5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -9.868 -1.252 -6.901 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -7.619 -1.113 -3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.411 -3.656 -7.096 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.160 -3.516 -3.478 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.053 -4.793 -5.384 1.00 0.00 H new ATOM 1197 N LYS A 96 -7.730 0.184 -7.827 1.00 0.00 N ATOM 1198 CA LYS A 96 -6.987 -0.605 -8.807 1.00 0.00 C ATOM 1199 C LYS A 96 -5.622 0.013 -9.086 1.00 0.00 C ATOM 1200 O LYS A 96 -4.619 -0.691 -9.192 1.00 0.00 O ATOM 1201 CB LYS A 96 -7.782 -0.720 -10.108 1.00 0.00 C ATOM 1202 CG LYS A 96 -8.883 -1.766 -10.056 1.00 0.00 C ATOM 1203 CD LYS A 96 -9.854 -1.605 -11.213 1.00 0.00 C ATOM 1204 CE LYS A 96 -11.047 -2.536 -11.072 1.00 0.00 C ATOM 1205 NZ LYS A 96 -11.834 -2.625 -12.333 1.00 0.00 N ATOM 0 H LYS A 96 -8.676 0.434 -8.116 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.835 -1.601 -8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.223 0.249 -10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.099 -0.964 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.442 -2.762 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.422 -1.683 -9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.200 -0.572 -11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.340 -1.810 -12.152 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.700 -3.530 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.691 -2.182 -10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.750 -2.150 -12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.310 -2.163 -13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.992 -3.624 -12.574 1.00 0.00 H new ATOM 1219 N ASN A 97 -5.593 1.335 -9.200 1.00 0.00 N ATOM 1220 CA ASN A 97 -4.350 2.051 -9.462 1.00 0.00 C ATOM 1221 C ASN A 97 -3.431 1.997 -8.248 1.00 0.00 C ATOM 1222 O ASN A 97 -2.210 1.918 -8.382 1.00 0.00 O ATOM 1223 CB ASN A 97 -4.641 3.509 -9.823 1.00 0.00 C ATOM 1224 CG ASN A 97 -5.047 3.677 -11.274 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -4.402 4.401 -12.032 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -6.123 3.006 -11.669 1.00 0.00 N ATOM 0 H ASN A 97 -6.415 1.933 -9.115 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.852 1.567 -10.302 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.436 3.888 -9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.756 4.113 -9.624 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.444 3.080 -12.634 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.628 2.417 -11.007 1.00 0.00 H new ATOM 1233 N LEU A 98 -4.029 2.043 -7.063 1.00 0.00 N ATOM 1234 CA LEU A 98 -3.268 2.002 -5.822 1.00 0.00 C ATOM 1235 C LEU A 98 -2.664 0.622 -5.603 1.00 0.00 C ATOM 1236 O LEU A 98 -1.447 0.480 -5.490 1.00 0.00 O ATOM 1237 CB LEU A 98 -4.163 2.382 -4.647 1.00 0.00 C ATOM 1238 CG LEU A 98 -5.025 3.622 -4.879 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -6.150 3.696 -3.860 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -4.172 4.879 -4.835 1.00 0.00 C ATOM 0 H LEU A 98 -5.039 2.109 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.453 2.722 -5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.816 1.540 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.538 2.549 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.473 3.547 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.750 4.587 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.779 2.810 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.729 3.744 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.802 5.752 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.692 4.959 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.409 4.828 -5.612 1.00 0.00 H new ATOM 1252 N LYS A 99 -3.515 -0.400 -5.555 1.00 0.00 N ATOM 1253 CA LYS A 99 -3.038 -1.764 -5.364 1.00 0.00 C ATOM 1254 C LYS A 99 -2.036 -2.117 -6.450 1.00 0.00 C ATOM 1255 O LYS A 99 -1.061 -2.825 -6.208 1.00 0.00 O ATOM 1256 CB LYS A 99 -4.202 -2.761 -5.382 1.00 0.00 C ATOM 1257 CG LYS A 99 -5.188 -2.533 -6.518 1.00 0.00 C ATOM 1258 CD LYS A 99 -5.556 -3.838 -7.214 1.00 0.00 C ATOM 1259 CE LYS A 99 -5.179 -3.814 -8.687 1.00 0.00 C ATOM 1260 NZ LYS A 99 -3.779 -4.268 -8.910 1.00 0.00 N ATOM 0 H LYS A 99 -4.527 -0.310 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.553 -1.824 -4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.801 -3.772 -5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.735 -2.700 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.090 -2.061 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.755 -1.843 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.050 -4.668 -6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.627 -4.014 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.861 -4.454 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.299 -2.803 -9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.350 -3.709 -9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.229 -4.139 -8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.778 -5.274 -9.175 1.00 0.00 H new ATOM 1274 N THR A 100 -2.281 -1.598 -7.646 1.00 0.00 N ATOM 1275 CA THR A 100 -1.402 -1.836 -8.778 1.00 0.00 C ATOM 1276 C THR A 100 -0.055 -1.164 -8.546 1.00 0.00 C ATOM 1277 O THR A 100 0.989 -1.815 -8.584 1.00 0.00 O ATOM 1278 CB THR A 100 -2.050 -1.311 -10.063 1.00 0.00 C ATOM 1279 OG1 THR A 100 -3.052 -2.203 -10.518 1.00 0.00 O ATOM 1280 CG2 THR A 100 -1.072 -1.107 -11.199 1.00 0.00 C ATOM 0 H THR A 100 -3.086 -1.007 -7.855 1.00 0.00 H new ATOM 0 HA THR A 100 -1.239 -2.909 -8.883 1.00 0.00 H new ATOM 0 HB THR A 100 -2.469 -0.342 -9.793 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.934 -1.795 -10.394 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.604 -0.734 -12.074 1.00 0.00 H new ATOM 0 HG22 THR A 100 -0.313 -0.384 -10.900 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.594 -2.056 -11.442 1.00 0.00 H new ATOM 1288 N LYS A 101 -0.086 0.142 -8.296 1.00 0.00 N ATOM 1289 CA LYS A 101 1.138 0.888 -8.050 1.00 0.00 C ATOM 1290 C LYS A 101 1.847 0.334 -6.822 1.00 0.00 C ATOM 1291 O LYS A 101 3.074 0.283 -6.771 1.00 0.00 O ATOM 1292 CB LYS A 101 0.834 2.383 -7.873 1.00 0.00 C ATOM 1293 CG LYS A 101 0.338 2.761 -6.484 1.00 0.00 C ATOM 1294 CD LYS A 101 0.264 4.270 -6.313 1.00 0.00 C ATOM 1295 CE LYS A 101 1.551 4.826 -5.725 1.00 0.00 C ATOM 1296 NZ LYS A 101 1.622 6.309 -5.844 1.00 0.00 N ATOM 0 H LYS A 101 -0.939 0.699 -8.259 1.00 0.00 H new ATOM 0 HA LYS A 101 1.795 0.777 -8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.737 2.954 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.084 2.679 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.647 2.326 -6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.004 2.340 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.071 4.738 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.574 4.523 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.622 4.542 -4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.405 4.380 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.514 6.648 -5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.580 6.579 -6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.821 6.737 -5.336 1.00 0.00 H new ATOM 1310 N TYR A 102 1.058 -0.091 -5.838 1.00 0.00 N ATOM 1311 CA TYR A 102 1.603 -0.653 -4.608 1.00 0.00 C ATOM 1312 C TYR A 102 2.360 -1.945 -4.899 1.00 0.00 C ATOM 1313 O TYR A 102 3.472 -2.145 -4.410 1.00 0.00 O ATOM 1314 CB TYR A 102 0.478 -0.901 -3.594 1.00 0.00 C ATOM 1315 CG TYR A 102 0.785 -1.976 -2.571 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.977 -1.972 -1.855 1.00 0.00 C ATOM 1317 CD2 TYR A 102 -0.123 -2.996 -2.326 1.00 0.00 C ATOM 1318 CE1 TYR A 102 2.253 -2.957 -0.922 1.00 0.00 C ATOM 1319 CE2 TYR A 102 0.145 -3.982 -1.397 1.00 0.00 C ATOM 1320 CZ TYR A 102 1.332 -3.958 -0.700 1.00 0.00 C ATOM 1321 OH TYR A 102 1.600 -4.940 0.222 1.00 0.00 O ATOM 0 H TYR A 102 0.039 -0.056 -5.870 1.00 0.00 H new ATOM 0 HA TYR A 102 2.304 0.063 -4.179 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.264 0.031 -3.071 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.427 -1.178 -4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.699 -1.188 -2.029 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.055 -3.019 -2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.183 -2.941 -0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.573 -4.768 -1.218 1.00 0.00 H new ATOM 0 HH TYR A 102 2.072 -5.679 -0.215 1.00 0.00 H new ATOM 1331 N GLN A 103 1.756 -2.817 -5.702 1.00 0.00 N ATOM 1332 CA GLN A 103 2.385 -4.085 -6.057 1.00 0.00 C ATOM 1333 C GLN A 103 3.809 -3.852 -6.542 1.00 0.00 C ATOM 1334 O GLN A 103 4.733 -4.560 -6.156 1.00 0.00 O ATOM 1335 CB GLN A 103 1.581 -4.800 -7.146 1.00 0.00 C ATOM 1336 CG GLN A 103 0.216 -5.283 -6.687 1.00 0.00 C ATOM 1337 CD GLN A 103 -0.040 -6.733 -7.047 1.00 0.00 C ATOM 1338 OE1 GLN A 103 0.091 -7.627 -6.211 1.00 0.00 O ATOM 1339 NE2 GLN A 103 -0.407 -6.973 -8.301 1.00 0.00 N ATOM 0 H GLN A 103 0.836 -2.670 -6.117 1.00 0.00 H new ATOM 0 HA GLN A 103 2.409 -4.713 -5.167 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.451 -4.124 -7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.155 -5.654 -7.506 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.136 -5.161 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.556 -4.659 -7.137 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.503 -6.201 -8.961 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.593 -7.929 -8.604 1.00 0.00 H new ATOM 1348 N SER A 104 3.977 -2.845 -7.383 1.00 0.00 N ATOM 1349 CA SER A 104 5.292 -2.514 -7.911 1.00 0.00 C ATOM 1350 C SER A 104 6.237 -2.122 -6.783 1.00 0.00 C ATOM 1351 O SER A 104 7.433 -2.407 -6.831 1.00 0.00 O ATOM 1352 CB SER A 104 5.184 -1.364 -8.910 1.00 0.00 C ATOM 1353 OG SER A 104 6.056 -1.557 -10.010 1.00 0.00 O ATOM 0 H SER A 104 3.223 -2.244 -7.714 1.00 0.00 H new ATOM 0 HA SER A 104 5.690 -3.394 -8.416 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.157 -1.284 -9.266 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.423 -0.424 -8.413 1.00 0.00 H new ATOM 0 HG SER A 104 5.965 -0.807 -10.635 1.00 0.00 H new ATOM 1359 N LEU A 105 5.688 -1.461 -5.771 1.00 0.00 N ATOM 1360 CA LEU A 105 6.474 -1.020 -4.630 1.00 0.00 C ATOM 1361 C LEU A 105 7.038 -2.201 -3.866 1.00 0.00 C ATOM 1362 O LEU A 105 8.235 -2.257 -3.587 1.00 0.00 O ATOM 1363 CB LEU A 105 5.619 -0.167 -3.696 1.00 0.00 C ATOM 1364 CG LEU A 105 4.947 1.033 -4.353 1.00 0.00 C ATOM 1365 CD1 LEU A 105 3.961 1.685 -3.396 1.00 0.00 C ATOM 1366 CD2 LEU A 105 5.997 2.030 -4.813 1.00 0.00 C ATOM 0 H LEU A 105 4.698 -1.219 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 105 7.304 -0.423 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.848 -0.799 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.246 0.189 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 105 4.390 0.690 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.492 2.540 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.195 0.962 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.488 2.021 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.507 2.884 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.577 2.370 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.661 1.553 -5.534 1.00 0.00 H new ATOM 1378 N GLN A 106 6.175 -3.150 -3.528 1.00 0.00 N ATOM 1379 CA GLN A 106 6.620 -4.326 -2.793 1.00 0.00 C ATOM 1380 C GLN A 106 7.700 -5.050 -3.580 1.00 0.00 C ATOM 1381 O GLN A 106 8.765 -5.351 -3.056 1.00 0.00 O ATOM 1382 CB GLN A 106 5.466 -5.290 -2.497 1.00 0.00 C ATOM 1383 CG GLN A 106 4.408 -5.370 -3.583 1.00 0.00 C ATOM 1384 CD GLN A 106 3.279 -6.320 -3.228 1.00 0.00 C ATOM 1385 OE1 GLN A 106 2.760 -6.197 -2.012 1.00 0.00 O flip ATOM 1386 NE2 GLN A 106 2.878 -7.154 -4.039 1.00 0.00 N flip ATOM 0 H GLN A 106 5.179 -3.130 -3.747 1.00 0.00 H new ATOM 0 HA GLN A 106 7.020 -3.983 -1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.876 -6.287 -2.335 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.988 -4.987 -1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.999 -4.375 -3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.872 -5.695 -4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.306 -7.214 -4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.118 -7.786 -3.787 1.00 0.00 H new ATOM 1395 N GLN A 107 7.407 -5.321 -4.843 1.00 0.00 N ATOM 1396 CA GLN A 107 8.345 -6.013 -5.722 1.00 0.00 C ATOM 1397 C GLN A 107 9.662 -5.253 -5.856 1.00 0.00 C ATOM 1398 O GLN A 107 10.736 -5.847 -5.776 1.00 0.00 O ATOM 1399 CB GLN A 107 7.738 -6.218 -7.115 1.00 0.00 C ATOM 1400 CG GLN A 107 6.263 -6.589 -7.106 1.00 0.00 C ATOM 1401 CD GLN A 107 5.990 -7.919 -7.781 1.00 0.00 C ATOM 1402 OE1 GLN A 107 6.447 -8.966 -7.323 1.00 0.00 O ATOM 1403 NE2 GLN A 107 5.241 -7.883 -8.877 1.00 0.00 N ATOM 0 H GLN A 107 6.523 -5.072 -5.286 1.00 0.00 H new ATOM 0 HA GLN A 107 8.548 -6.982 -5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.867 -5.303 -7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.295 -7.001 -7.630 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.909 -6.630 -6.076 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.693 -5.807 -7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.883 -6.992 -9.221 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.024 -8.746 -9.375 1.00 0.00 H new ATOM 1412 N SER A 108 9.580 -3.943 -6.075 1.00 0.00 N ATOM 1413 CA SER A 108 10.780 -3.127 -6.233 1.00 0.00 C ATOM 1414 C SER A 108 11.633 -3.159 -4.970 1.00 0.00 C ATOM 1415 O SER A 108 12.864 -3.159 -5.033 1.00 0.00 O ATOM 1416 CB SER A 108 10.401 -1.683 -6.568 1.00 0.00 C ATOM 1417 OG SER A 108 11.552 -0.906 -6.850 1.00 0.00 O ATOM 0 H SER A 108 8.703 -3.428 -6.147 1.00 0.00 H new ATOM 0 HA SER A 108 11.364 -3.543 -7.054 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.730 -1.670 -7.427 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.857 -1.243 -5.732 1.00 0.00 H new ATOM 0 HG SER A 108 11.283 0.012 -7.062 1.00 0.00 H new ATOM 1423 N TYR A 109 10.966 -3.173 -3.827 1.00 0.00 N ATOM 1424 CA TYR A 109 11.642 -3.187 -2.536 1.00 0.00 C ATOM 1425 C TYR A 109 12.028 -4.604 -2.116 1.00 0.00 C ATOM 1426 O TYR A 109 13.141 -4.832 -1.641 1.00 0.00 O ATOM 1427 CB TYR A 109 10.730 -2.521 -1.503 1.00 0.00 C ATOM 1428 CG TYR A 109 10.521 -3.283 -0.211 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.593 -3.705 0.564 1.00 0.00 C ATOM 1430 CD2 TYR A 109 9.238 -3.562 0.236 1.00 0.00 C ATOM 1431 CE1 TYR A 109 11.391 -4.387 1.746 1.00 0.00 C ATOM 1432 CE2 TYR A 109 9.027 -4.242 1.416 1.00 0.00 C ATOM 1433 CZ TYR A 109 10.106 -4.654 2.169 1.00 0.00 C ATOM 1434 OH TYR A 109 9.900 -5.334 3.347 1.00 0.00 O ATOM 0 H TYR A 109 9.948 -3.175 -3.766 1.00 0.00 H new ATOM 0 HA TYR A 109 12.575 -2.629 -2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.143 -1.542 -1.261 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.756 -2.352 -1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.601 -3.496 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.390 -3.241 -0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.235 -4.710 2.337 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.021 -4.451 1.749 1.00 0.00 H new ATOM 0 HH TYR A 109 10.635 -5.144 3.967 1.00 0.00 H new ATOM 1444 N ASN A 110 11.112 -5.551 -2.282 1.00 0.00 N ATOM 1445 CA ASN A 110 11.384 -6.935 -1.902 1.00 0.00 C ATOM 1446 C ASN A 110 12.683 -7.414 -2.546 1.00 0.00 C ATOM 1447 O ASN A 110 13.497 -8.080 -1.907 1.00 0.00 O ATOM 1448 CB ASN A 110 10.193 -7.844 -2.269 1.00 0.00 C ATOM 1449 CG ASN A 110 10.563 -9.032 -3.144 1.00 0.00 C ATOM 1450 OD1 ASN A 110 11.502 -9.772 -2.850 1.00 0.00 O ATOM 1451 ND2 ASN A 110 9.811 -9.224 -4.222 1.00 0.00 N ATOM 0 H ASN A 110 10.184 -5.390 -2.673 1.00 0.00 H new ATOM 0 HA ASN A 110 11.510 -6.987 -0.821 1.00 0.00 H new ATOM 0 HB2 ASN A 110 9.734 -8.212 -1.351 1.00 0.00 H new ATOM 0 HB3 ASN A 110 9.440 -7.248 -2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 110 10.002 -10.010 -4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.042 -8.586 -4.428 1.00 0.00 H new ATOM 1458 N GLN A 111 12.887 -7.050 -3.805 1.00 0.00 N ATOM 1459 CA GLN A 111 14.107 -7.429 -4.499 1.00 0.00 C ATOM 1460 C GLN A 111 15.288 -6.719 -3.862 1.00 0.00 C ATOM 1461 O GLN A 111 16.247 -7.348 -3.416 1.00 0.00 O ATOM 1462 CB GLN A 111 14.035 -7.073 -5.985 1.00 0.00 C ATOM 1463 CG GLN A 111 13.662 -5.629 -6.272 1.00 0.00 C ATOM 1464 CD GLN A 111 13.170 -5.430 -7.692 1.00 0.00 C ATOM 1465 OE1 GLN A 111 11.968 -5.465 -7.956 1.00 0.00 O ATOM 1466 NE2 GLN A 111 14.101 -5.224 -8.616 1.00 0.00 N ATOM 0 H GLN A 111 12.231 -6.500 -4.360 1.00 0.00 H new ATOM 0 HA GLN A 111 14.229 -8.509 -4.415 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.002 -7.283 -6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.306 -7.725 -6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 111 12.887 -5.311 -5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 111 14.529 -4.991 -6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 111 15.086 -5.203 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 111 13.831 -5.087 -9.590 1.00 0.00 H new ATOM 1475 N ARG A 112 15.188 -5.397 -3.814 1.00 0.00 N ATOM 1476 CA ARG A 112 16.222 -4.557 -3.225 1.00 0.00 C ATOM 1477 C ARG A 112 16.613 -5.062 -1.841 1.00 0.00 C ATOM 1478 O ARG A 112 17.790 -5.073 -1.485 1.00 0.00 O ATOM 1479 CB ARG A 112 15.729 -3.112 -3.126 1.00 0.00 C ATOM 1480 CG ARG A 112 16.264 -2.208 -4.223 1.00 0.00 C ATOM 1481 CD ARG A 112 16.124 -0.740 -3.850 1.00 0.00 C ATOM 1482 NE ARG A 112 17.362 0.002 -4.072 1.00 0.00 N ATOM 1483 CZ ARG A 112 17.426 1.329 -4.153 1.00 0.00 C ATOM 1484 NH1 ARG A 112 16.326 2.062 -4.032 1.00 0.00 N ATOM 1485 NH2 ARG A 112 18.593 1.925 -4.355 1.00 0.00 N ATOM 0 H ARG A 112 14.390 -4.878 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 112 17.101 -4.598 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 112 14.640 -3.106 -3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.019 -2.704 -2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.313 -2.440 -4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 112 15.726 -2.402 -5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 112 15.323 -0.292 -4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 112 15.835 -0.658 -2.802 1.00 0.00 H new ATOM 0 HE ARG A 112 18.228 -0.528 -4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 112 15.426 1.609 -3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 112 16.381 3.079 -4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 112 19.441 1.367 -4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 112 18.642 2.942 -4.417 1.00 0.00 H new ATOM 1499 N LYS A 113 15.618 -5.479 -1.064 1.00 0.00 N ATOM 1500 CA LYS A 113 15.873 -5.983 0.282 1.00 0.00 C ATOM 1501 C LYS A 113 16.728 -7.246 0.226 1.00 0.00 C ATOM 1502 O LYS A 113 17.502 -7.525 1.142 1.00 0.00 O ATOM 1503 CB LYS A 113 14.553 -6.234 1.031 1.00 0.00 C ATOM 1504 CG LYS A 113 13.888 -7.573 0.738 1.00 0.00 C ATOM 1505 CD LYS A 113 13.328 -8.201 2.004 1.00 0.00 C ATOM 1506 CE LYS A 113 11.935 -7.676 2.317 1.00 0.00 C ATOM 1507 NZ LYS A 113 10.898 -8.736 2.180 1.00 0.00 N ATOM 0 H LYS A 113 14.636 -5.478 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 113 16.428 -5.226 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.743 -6.167 2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.854 -5.436 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.086 -7.432 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 113 14.612 -8.249 0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.292 -9.284 1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 113 13.994 -7.991 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.916 -7.279 3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.700 -6.849 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.963 -8.338 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.898 -9.098 1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.108 -9.514 2.838 1.00 0.00 H new ATOM 1521 N SER A 114 16.591 -7.998 -0.862 1.00 0.00 N ATOM 1522 CA SER A 114 17.360 -9.222 -1.049 1.00 0.00 C ATOM 1523 C SER A 114 18.784 -8.896 -1.496 1.00 0.00 C ATOM 1524 O SER A 114 19.712 -9.670 -1.263 1.00 0.00 O ATOM 1525 CB SER A 114 16.682 -10.123 -2.082 1.00 0.00 C ATOM 1526 OG SER A 114 16.796 -11.489 -1.721 1.00 0.00 O ATOM 0 H SER A 114 15.954 -7.780 -1.628 1.00 0.00 H new ATOM 0 HA SER A 114 17.404 -9.749 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 114 15.629 -9.853 -2.169 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.134 -9.963 -3.061 1.00 0.00 H new ATOM 0 HG SER A 114 16.353 -12.044 -2.396 1.00 0.00 H new