USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1013 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 74 MET CE :methyl -174:sc= 0 (180deg=-0.0364) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.26) USER MOD Set 2.1: A 23 MET CE :methyl -131:sc= 0 (180deg=-0.0965) USER MOD Set 2.2: A 53 MET CE :methyl -149:sc= -0.264 (180deg=-1.05) USER MOD Set 3.1: A 35 ASN : amide:sc= 0.602 K(o=1.3,f=-3.2) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 157:sc= 0.677 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0812 K(o=-0.081,f=-2.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc=-0.00219 (180deg=-0.122) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -54:sc= 0.127 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 30 ASN : amide:sc= 0.768 K(o=0.77,f=-1.5!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -122:sc= -0.0533 (180deg=-1.03) USER MOD Single : A 45 ASN : amide:sc= -3.98! C(o=-4!,f=-3.9!) USER MOD Single : A 48 THR OG1 : rot 130:sc= 0.0284 USER MOD Single : A 56 SER OG : rot -82:sc= 0.0102 USER MOD Single : A 57 THR OG1 : rot -35:sc= 0.732 USER MOD Single : A 58 LYS NZ :NH3+ -106:sc= 1.29 (180deg=-0.15) USER MOD Single : A 60 ASN : amide:sc= -0.56 X(o=-0.56,f=-0.28) USER MOD Single : A 61 MET CE :methyl -168:sc= 0 (180deg=-0.146) USER MOD Single : A 67 ASN : amide:sc= -1.43! C(o=-1.4!,f=-3.8!) USER MOD Single : A 69 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.257 X(o=-0.26,f=0.00093) USER MOD Single : A 72 ASN : amide:sc= -0.0135 K(o=-0.013,f=-1.5) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0288) USER MOD Single : A 80 HIS : no HE2:sc= -0.19 K(o=-0.19,f=-0.74) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 95 HIS : no HD1:sc= -0.077 X(o=-0.077,f=-0.042) USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= 1.29 (180deg=1.21) USER MOD Single : A 100 SER OG : rot -169:sc= -0.177 USER MOD Single : A 101 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 104 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.083) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 116 THR OG1 : rot 65:sc= 1.19 USER MOD Single : A 119 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00274) USER MOD Single : A 123 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.077) USER MOD Single : A 124 LYS NZ :NH3+ -131:sc= 1.24 (180deg=-0.282) USER MOD Single : A 126 ASN : amide:sc= -0.0578 X(o=-0.058,f=-0.047) USER MOD Single : A 130 SER OG : rot -160:sc= 0.0547 USER MOD Single : A 131 MET CE :methyl -177:sc= -0.303 (180deg=-0.35) USER MOD ----------------------------------------------------------------- ATOM 113 N LEU A 8 2.020 7.062 10.366 1.00 0.00 N ATOM 114 CA LEU A 8 1.728 7.017 8.945 1.00 0.00 C ATOM 115 C LEU A 8 1.621 8.421 8.339 1.00 0.00 C ATOM 116 O LEU A 8 0.666 9.165 8.566 1.00 0.00 O ATOM 117 CB LEU A 8 0.544 6.060 8.743 1.00 0.00 C ATOM 118 CG LEU A 8 -0.021 5.931 7.327 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.031 7.049 7.091 1.00 0.00 C ATOM 120 CD2 LEU A 8 1.067 5.903 6.244 1.00 0.00 C ATOM 0 HA LEU A 8 2.551 6.601 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.852 5.068 9.075 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.264 6.380 9.401 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.523 4.966 7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.439 6.964 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.839 6.968 7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.538 8.015 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.601 5.810 5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.645 6.826 6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.728 5.053 6.414 1.00 0.00 H new ATOM 132 N SER A 9 2.651 8.820 7.594 1.00 0.00 N ATOM 133 CA SER A 9 2.713 10.151 7.017 1.00 0.00 C ATOM 134 C SER A 9 1.737 10.276 5.838 1.00 0.00 C ATOM 135 O SER A 9 1.004 11.263 5.764 1.00 0.00 O ATOM 136 CB SER A 9 4.168 10.447 6.633 1.00 0.00 C ATOM 137 OG SER A 9 4.462 11.809 6.852 1.00 0.00 O ATOM 0 H SER A 9 3.456 8.232 7.378 1.00 0.00 H new ATOM 0 HA SER A 9 2.397 10.901 7.742 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.841 9.823 7.221 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.334 10.196 5.585 1.00 0.00 H new ATOM 0 HG SER A 9 5.394 11.986 6.605 1.00 0.00 H new ATOM 143 N LEU A 10 1.699 9.282 4.938 1.00 0.00 N ATOM 144 CA LEU A 10 0.901 9.343 3.710 1.00 0.00 C ATOM 145 C LEU A 10 -0.578 9.611 3.991 1.00 0.00 C ATOM 146 O LEU A 10 -1.150 8.984 4.874 1.00 0.00 O ATOM 147 CB LEU A 10 1.058 8.068 2.856 1.00 0.00 C ATOM 148 CG LEU A 10 2.367 7.866 2.061 1.00 0.00 C ATOM 149 CD1 LEU A 10 2.184 6.842 0.931 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.881 9.161 1.424 1.00 0.00 C ATOM 0 H LEU A 10 2.223 8.413 5.044 1.00 0.00 H new ATOM 0 HA LEU A 10 1.292 10.186 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.937 7.210 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.232 8.042 2.145 1.00 0.00 H new ATOM 0 HG LEU A 10 3.092 7.510 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.124 6.724 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.885 5.883 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.413 7.192 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.803 8.957 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.131 9.551 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.076 9.898 2.204 1.00 0.00 H new ATOM 162 N ASN A 11 -1.240 10.492 3.236 1.00 0.00 N ATOM 163 CA ASN A 11 -2.621 10.927 3.501 1.00 0.00 C ATOM 164 C ASN A 11 -3.679 9.877 3.102 1.00 0.00 C ATOM 165 O ASN A 11 -4.609 10.122 2.331 1.00 0.00 O ATOM 166 CB ASN A 11 -2.885 12.286 2.846 1.00 0.00 C ATOM 167 CG ASN A 11 -4.109 12.987 3.429 1.00 0.00 C ATOM 168 OD1 ASN A 11 -4.886 12.421 4.201 1.00 0.00 O ATOM 169 ND2 ASN A 11 -4.267 14.262 3.127 1.00 0.00 N ATOM 0 H ASN A 11 -0.830 10.931 2.412 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.721 11.037 4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.010 12.923 2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.025 12.148 1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.039 14.791 3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.617 14.719 2.487 1.00 0.00 H new ATOM 176 N PHE A 12 -3.536 8.656 3.612 1.00 0.00 N ATOM 177 CA PHE A 12 -4.420 7.540 3.363 1.00 0.00 C ATOM 178 C PHE A 12 -5.822 7.791 3.872 1.00 0.00 C ATOM 179 O PHE A 12 -6.754 7.314 3.232 1.00 0.00 O ATOM 180 CB PHE A 12 -3.867 6.284 4.026 1.00 0.00 C ATOM 181 CG PHE A 12 -2.794 5.596 3.219 1.00 0.00 C ATOM 182 CD1 PHE A 12 -3.169 4.821 2.109 1.00 0.00 C ATOM 183 CD2 PHE A 12 -1.437 5.722 3.557 1.00 0.00 C ATOM 184 CE1 PHE A 12 -2.187 4.178 1.343 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.460 5.050 2.806 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.832 4.273 1.702 1.00 0.00 C ATOM 0 H PHE A 12 -2.765 8.416 4.236 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.474 7.409 2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.462 6.548 5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.685 5.584 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.212 4.721 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.145 6.337 4.396 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.473 3.607 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.581 5.132 3.080 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.081 3.749 1.129 1.00 0.00 H new ATOM 196 N GLY A 13 -6.006 8.496 4.991 1.00 0.00 N ATOM 197 CA GLY A 13 -7.332 8.616 5.587 1.00 0.00 C ATOM 198 C GLY A 13 -8.315 9.251 4.606 1.00 0.00 C ATOM 199 O GLY A 13 -9.412 8.734 4.387 1.00 0.00 O ATOM 0 H GLY A 13 -5.265 8.984 5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.693 7.631 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.275 9.220 6.493 1.00 0.00 H new ATOM 203 N LYS A 14 -7.891 10.331 3.949 1.00 0.00 N ATOM 204 CA LYS A 14 -8.661 10.992 2.903 1.00 0.00 C ATOM 205 C LYS A 14 -8.757 10.141 1.649 1.00 0.00 C ATOM 206 O LYS A 14 -9.862 9.944 1.147 1.00 0.00 O ATOM 207 CB LYS A 14 -7.990 12.328 2.576 1.00 0.00 C ATOM 208 CG LYS A 14 -8.565 13.451 3.442 1.00 0.00 C ATOM 209 CD LYS A 14 -9.830 14.023 2.792 1.00 0.00 C ATOM 210 CE LYS A 14 -9.428 14.850 1.571 1.00 0.00 C ATOM 211 NZ LYS A 14 -10.314 16.002 1.373 1.00 0.00 N ATOM 0 H LYS A 14 -6.991 10.775 4.133 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.677 11.151 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.915 12.250 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.135 12.565 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.798 13.071 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.823 14.240 3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.500 13.216 2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.373 14.643 3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.402 15.198 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.449 14.219 0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.007 16.536 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.290 15.670 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.275 16.618 2.210 1.00 0.00 H new ATOM 225 N ALA A 15 -7.632 9.638 1.132 1.00 0.00 N ATOM 226 CA ALA A 15 -7.641 8.829 -0.075 1.00 0.00 C ATOM 227 C ALA A 15 -8.612 7.657 0.066 1.00 0.00 C ATOM 228 O ALA A 15 -9.388 7.411 -0.848 1.00 0.00 O ATOM 229 CB ALA A 15 -6.221 8.349 -0.373 1.00 0.00 C ATOM 0 H ALA A 15 -6.706 9.781 1.536 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.987 9.433 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.225 7.742 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.568 9.210 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.856 7.752 0.463 1.00 0.00 H new ATOM 235 N LEU A 16 -8.616 6.963 1.208 1.00 0.00 N ATOM 236 CA LEU A 16 -9.520 5.860 1.533 1.00 0.00 C ATOM 237 C LEU A 16 -10.972 6.320 1.564 1.00 0.00 C ATOM 238 O LEU A 16 -11.831 5.596 1.049 1.00 0.00 O ATOM 239 CB LEU A 16 -9.136 5.234 2.886 1.00 0.00 C ATOM 240 CG LEU A 16 -7.949 4.265 2.762 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.331 3.927 4.108 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.356 2.906 2.192 1.00 0.00 C ATOM 0 H LEU A 16 -7.960 7.165 1.963 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.421 5.109 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.884 6.025 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.995 4.703 3.295 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.255 4.794 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.497 3.240 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.971 4.840 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.081 3.459 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.479 2.262 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.097 2.445 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.782 3.041 1.198 1.00 0.00 H new ATOM 254 N ASP A 17 -11.248 7.506 2.118 1.00 0.00 N ATOM 255 CA ASP A 17 -12.598 8.069 2.130 1.00 0.00 C ATOM 256 C ASP A 17 -13.116 8.348 0.727 1.00 0.00 C ATOM 257 O ASP A 17 -14.324 8.394 0.532 1.00 0.00 O ATOM 258 CB ASP A 17 -12.707 9.372 2.940 1.00 0.00 C ATOM 259 CG ASP A 17 -14.187 9.711 3.211 1.00 0.00 C ATOM 260 OD1 ASP A 17 -14.848 8.937 3.950 1.00 0.00 O ATOM 261 OD2 ASP A 17 -14.679 10.760 2.727 1.00 0.00 O ATOM 0 H ASP A 17 -10.547 8.096 2.566 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.206 7.302 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.172 9.267 3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.234 10.188 2.394 1.00 0.00 H new ATOM 266 N GLU A 18 -12.248 8.471 -0.274 1.00 0.00 N ATOM 267 CA GLU A 18 -12.683 8.521 -1.656 1.00 0.00 C ATOM 268 C GLU A 18 -12.646 7.144 -2.314 1.00 0.00 C ATOM 269 O GLU A 18 -13.524 6.814 -3.109 1.00 0.00 O ATOM 270 CB GLU A 18 -11.856 9.558 -2.416 1.00 0.00 C ATOM 271 CG GLU A 18 -12.199 10.999 -1.963 1.00 0.00 C ATOM 272 CD GLU A 18 -12.582 11.944 -3.114 1.00 0.00 C ATOM 273 OE1 GLU A 18 -12.085 11.804 -4.260 1.00 0.00 O ATOM 274 OE2 GLU A 18 -13.390 12.879 -2.898 1.00 0.00 O ATOM 0 H GLU A 18 -11.238 8.538 -0.147 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.727 8.832 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.795 9.368 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.039 9.458 -3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.023 10.958 -1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.342 11.416 -1.435 1.00 0.00 H new ATOM 281 N CYS A 19 -11.696 6.281 -1.965 1.00 0.00 N ATOM 282 CA CYS A 19 -11.487 5.039 -2.659 1.00 0.00 C ATOM 283 C CYS A 19 -12.572 3.998 -2.425 1.00 0.00 C ATOM 284 O CYS A 19 -12.855 3.165 -3.293 1.00 0.00 O ATOM 285 CB CYS A 19 -10.128 4.514 -2.236 1.00 0.00 C ATOM 286 SG CYS A 19 -8.997 4.223 -3.611 1.00 0.00 S ATOM 0 H CYS A 19 -11.053 6.435 -1.188 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.531 5.234 -3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.672 5.226 -1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.264 3.582 -1.687 1.00 0.00 H new ATOM 291 N LYS A 20 -13.250 4.065 -1.279 1.00 0.00 N ATOM 292 CA LYS A 20 -14.343 3.211 -1.008 1.00 0.00 C ATOM 293 C LYS A 20 -15.475 3.612 -1.954 1.00 0.00 C ATOM 294 O LYS A 20 -16.227 2.738 -2.367 1.00 0.00 O ATOM 295 CB LYS A 20 -14.598 3.319 0.508 1.00 0.00 C ATOM 296 CG LYS A 20 -15.738 4.215 0.915 1.00 0.00 C ATOM 297 CD LYS A 20 -15.581 5.723 0.797 1.00 0.00 C ATOM 298 CE LYS A 20 -15.921 6.440 2.109 1.00 0.00 C ATOM 299 NZ LYS A 20 -17.310 6.200 2.562 1.00 0.00 N ATOM 0 H LYS A 20 -13.035 4.723 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.193 2.149 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.788 2.319 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.687 3.680 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.607 3.929 0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.975 3.991 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.557 5.959 0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.229 6.094 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.230 6.110 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.768 7.511 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.579 6.925 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.954 6.247 1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.374 5.259 3.001 1.00 0.00 H new ATOM 313 N LYS A 21 -15.578 4.904 -2.329 1.00 0.00 N ATOM 314 CA LYS A 21 -16.649 5.375 -3.195 1.00 0.00 C ATOM 315 C LYS A 21 -16.501 4.717 -4.558 1.00 0.00 C ATOM 316 O LYS A 21 -17.494 4.267 -5.121 1.00 0.00 O ATOM 317 CB LYS A 21 -16.645 6.901 -3.387 1.00 0.00 C ATOM 318 CG LYS A 21 -16.578 7.655 -2.061 1.00 0.00 C ATOM 319 CD LYS A 21 -16.554 9.162 -2.268 1.00 0.00 C ATOM 320 CE LYS A 21 -16.543 9.842 -0.897 1.00 0.00 C ATOM 321 NZ LYS A 21 -17.885 10.266 -0.478 1.00 0.00 N ATOM 0 H LYS A 21 -14.925 5.632 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.591 5.109 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.794 7.184 -4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.544 7.199 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.437 7.386 -1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.686 7.349 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.673 9.451 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.425 9.479 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.133 9.156 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.883 10.709 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.830 10.721 0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.268 10.941 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.509 9.436 -0.422 1.00 0.00 H new ATOM 335 N GLU A 22 -15.274 4.639 -5.082 1.00 0.00 N ATOM 336 CA GLU A 22 -15.021 4.164 -6.437 1.00 0.00 C ATOM 337 C GLU A 22 -15.655 2.789 -6.659 1.00 0.00 C ATOM 338 O GLU A 22 -16.302 2.562 -7.687 1.00 0.00 O ATOM 339 CB GLU A 22 -13.518 4.135 -6.743 1.00 0.00 C ATOM 340 CG GLU A 22 -12.894 5.537 -6.665 1.00 0.00 C ATOM 341 CD GLU A 22 -11.753 5.716 -7.666 1.00 0.00 C ATOM 342 OE1 GLU A 22 -12.075 5.913 -8.862 1.00 0.00 O ATOM 343 OE2 GLU A 22 -10.579 5.786 -7.243 1.00 0.00 O ATOM 0 H GLU A 22 -14.430 4.905 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.486 4.865 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.016 3.474 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.357 3.720 -7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.663 6.286 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.521 5.711 -5.656 1.00 0.00 H new ATOM 350 N MET A 23 -15.534 1.903 -5.663 1.00 0.00 N ATOM 351 CA MET A 23 -15.993 0.521 -5.728 1.00 0.00 C ATOM 352 C MET A 23 -17.229 0.242 -4.851 1.00 0.00 C ATOM 353 O MET A 23 -17.637 -0.912 -4.734 1.00 0.00 O ATOM 354 CB MET A 23 -14.844 -0.433 -5.366 1.00 0.00 C ATOM 355 CG MET A 23 -13.413 0.123 -5.327 1.00 0.00 C ATOM 356 SD MET A 23 -12.126 -1.151 -5.372 1.00 0.00 S ATOM 357 CE MET A 23 -12.184 -1.580 -7.124 1.00 0.00 C ATOM 0 H MET A 23 -15.102 2.139 -4.769 1.00 0.00 H new ATOM 0 HA MET A 23 -16.308 0.344 -6.756 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.062 -0.857 -4.386 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.860 -1.257 -6.080 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.273 0.797 -6.172 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.290 0.718 -4.422 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.239 -2.663 -7.232 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.063 -1.125 -7.581 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.286 -1.211 -7.619 1.00 0.00 H new ATOM 367 N THR A 24 -17.802 1.264 -4.205 1.00 0.00 N ATOM 368 CA THR A 24 -18.769 1.187 -3.104 1.00 0.00 C ATOM 369 C THR A 24 -18.387 0.156 -2.018 1.00 0.00 C ATOM 370 O THR A 24 -19.240 -0.528 -1.443 1.00 0.00 O ATOM 371 CB THR A 24 -20.203 1.086 -3.647 1.00 0.00 C ATOM 372 OG1 THR A 24 -21.113 1.384 -2.606 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.530 -0.264 -4.274 1.00 0.00 C ATOM 0 H THR A 24 -17.589 2.230 -4.454 1.00 0.00 H new ATOM 0 HA THR A 24 -18.732 2.126 -2.551 1.00 0.00 H new ATOM 0 HB THR A 24 -20.293 1.812 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.928 0.808 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.559 -0.258 -4.634 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.855 -0.451 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.411 -1.050 -3.528 1.00 0.00 H new ATOM 381 N LEU A 25 -17.096 0.058 -1.711 1.00 0.00 N ATOM 382 CA LEU A 25 -16.582 -0.690 -0.557 1.00 0.00 C ATOM 383 C LEU A 25 -17.216 -0.178 0.751 1.00 0.00 C ATOM 384 O LEU A 25 -17.914 0.839 0.785 1.00 0.00 O ATOM 385 CB LEU A 25 -15.041 -0.611 -0.438 1.00 0.00 C ATOM 386 CG LEU A 25 -14.209 -0.795 -1.717 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.738 -0.475 -1.430 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.337 -2.215 -2.272 1.00 0.00 C ATOM 0 H LEU A 25 -16.362 0.502 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.856 -1.732 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.788 0.360 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.722 -1.367 0.280 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.593 -0.107 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.153 -0.607 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.650 0.556 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.364 -1.146 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.735 -2.308 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.986 -2.930 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.381 -2.421 -2.508 1.00 0.00 H new ATOM 400 N THR A 26 -16.929 -0.856 1.854 1.00 0.00 N ATOM 401 CA THR A 26 -17.572 -0.662 3.150 1.00 0.00 C ATOM 402 C THR A 26 -17.115 0.652 3.804 1.00 0.00 C ATOM 403 O THR A 26 -16.133 1.251 3.368 1.00 0.00 O ATOM 404 CB THR A 26 -17.267 -1.917 3.995 1.00 0.00 C ATOM 405 OG1 THR A 26 -15.891 -2.227 4.024 1.00 0.00 O ATOM 406 CG2 THR A 26 -17.919 -3.152 3.371 1.00 0.00 C ATOM 0 H THR A 26 -16.215 -1.584 1.873 1.00 0.00 H new ATOM 0 HA THR A 26 -18.652 -0.557 3.052 1.00 0.00 H new ATOM 0 HB THR A 26 -17.642 -1.689 4.993 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.747 -3.027 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 26 -17.694 -4.028 3.979 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.999 -3.009 3.325 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.529 -3.299 2.364 1.00 0.00 H new ATOM 414 N ASP A 27 -17.807 1.142 4.840 1.00 0.00 N ATOM 415 CA ASP A 27 -17.358 2.369 5.517 1.00 0.00 C ATOM 416 C ASP A 27 -16.118 2.087 6.360 1.00 0.00 C ATOM 417 O ASP A 27 -15.203 2.911 6.454 1.00 0.00 O ATOM 418 CB ASP A 27 -18.433 2.993 6.435 1.00 0.00 C ATOM 419 CG ASP A 27 -18.005 4.415 6.800 1.00 0.00 C ATOM 420 OD1 ASP A 27 -18.045 5.256 5.869 1.00 0.00 O ATOM 421 OD2 ASP A 27 -17.514 4.665 7.924 1.00 0.00 O ATOM 0 H ASP A 27 -18.656 0.724 5.221 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.140 3.081 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.399 3.008 5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.554 2.392 7.336 1.00 0.00 H new ATOM 426 N ALA A 28 -16.092 0.903 6.971 1.00 0.00 N ATOM 427 CA ALA A 28 -15.107 0.480 7.952 1.00 0.00 C ATOM 428 C ALA A 28 -13.696 0.357 7.369 1.00 0.00 C ATOM 429 O ALA A 28 -12.758 0.160 8.136 1.00 0.00 O ATOM 430 CB ALA A 28 -15.556 -0.858 8.555 1.00 0.00 C ATOM 0 H ALA A 28 -16.791 0.184 6.784 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.050 1.249 8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.825 -1.188 9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.526 -0.733 9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.636 -1.605 7.765 1.00 0.00 H new ATOM 436 N ILE A 29 -13.510 0.479 6.049 1.00 0.00 N ATOM 437 CA ILE A 29 -12.203 0.433 5.395 1.00 0.00 C ATOM 438 C ILE A 29 -11.193 1.409 6.003 1.00 0.00 C ATOM 439 O ILE A 29 -10.000 1.133 5.957 1.00 0.00 O ATOM 440 CB ILE A 29 -12.331 0.515 3.861 1.00 0.00 C ATOM 441 CG1 ILE A 29 -12.946 1.820 3.333 1.00 0.00 C ATOM 442 CG2 ILE A 29 -13.159 -0.651 3.312 1.00 0.00 C ATOM 443 CD1 ILE A 29 -12.029 3.007 3.554 1.00 0.00 C ATOM 0 H ILE A 29 -14.281 0.615 5.395 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.773 -0.547 5.599 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.300 0.473 3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.157 1.717 2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.899 2.000 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.232 -0.567 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.677 -1.593 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.158 -0.624 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.502 3.909 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.839 3.127 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.086 2.840 3.034 1.00 0.00 H new ATOM 455 N ASN A 30 -11.632 2.534 6.573 1.00 0.00 N ATOM 456 CA ASN A 30 -10.706 3.550 7.079 1.00 0.00 C ATOM 457 C ASN A 30 -10.048 3.106 8.391 1.00 0.00 C ATOM 458 O ASN A 30 -9.092 3.713 8.871 1.00 0.00 O ATOM 459 CB ASN A 30 -11.432 4.883 7.263 1.00 0.00 C ATOM 460 CG ASN A 30 -10.523 6.043 6.849 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.359 6.127 7.223 1.00 0.00 O ATOM 462 ND2 ASN A 30 -10.996 6.920 5.984 1.00 0.00 N ATOM 0 H ASN A 30 -12.618 2.764 6.695 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.914 3.680 6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.343 4.894 6.665 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.732 5.001 8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.394 7.663 5.630 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.964 6.855 5.669 1.00 0.00 H new ATOM 469 N GLU A 31 -10.608 2.071 9.003 1.00 0.00 N ATOM 470 CA GLU A 31 -10.128 1.386 10.193 1.00 0.00 C ATOM 471 C GLU A 31 -9.502 0.049 9.768 1.00 0.00 C ATOM 472 O GLU A 31 -8.366 -0.260 10.127 1.00 0.00 O ATOM 473 CB GLU A 31 -11.321 1.173 11.145 1.00 0.00 C ATOM 474 CG GLU A 31 -12.022 2.488 11.534 1.00 0.00 C ATOM 475 CD GLU A 31 -13.420 2.240 12.097 1.00 0.00 C ATOM 476 OE1 GLU A 31 -14.345 1.919 11.322 1.00 0.00 O ATOM 477 OE2 GLU A 31 -13.597 2.428 13.323 1.00 0.00 O ATOM 0 H GLU A 31 -11.473 1.659 8.654 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.369 1.971 10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.044 0.509 10.670 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.973 0.672 12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.420 3.016 12.274 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.092 3.135 10.660 1.00 0.00 H new ATOM 484 N ASP A 32 -10.234 -0.732 8.972 1.00 0.00 N ATOM 485 CA ASP A 32 -9.930 -2.107 8.582 1.00 0.00 C ATOM 486 C ASP A 32 -8.639 -2.206 7.772 1.00 0.00 C ATOM 487 O ASP A 32 -7.816 -3.083 8.026 1.00 0.00 O ATOM 488 CB ASP A 32 -11.117 -2.675 7.788 1.00 0.00 C ATOM 489 CG ASP A 32 -11.040 -4.184 7.579 1.00 0.00 C ATOM 490 OD1 ASP A 32 -10.767 -4.898 8.569 1.00 0.00 O ATOM 491 OD2 ASP A 32 -11.379 -4.657 6.472 1.00 0.00 O ATOM 0 H ASP A 32 -11.106 -0.401 8.559 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.773 -2.695 9.487 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.043 -2.435 8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.163 -2.183 6.816 1.00 0.00 H new ATOM 496 N PHE A 33 -8.419 -1.259 6.855 1.00 0.00 N ATOM 497 CA PHE A 33 -7.204 -1.170 6.051 1.00 0.00 C ATOM 498 C PHE A 33 -5.968 -1.026 6.936 1.00 0.00 C ATOM 499 O PHE A 33 -4.924 -1.607 6.647 1.00 0.00 O ATOM 500 CB PHE A 33 -7.324 0.047 5.130 1.00 0.00 C ATOM 501 CG PHE A 33 -6.167 0.274 4.183 1.00 0.00 C ATOM 502 CD1 PHE A 33 -6.189 -0.297 2.898 1.00 0.00 C ATOM 503 CD2 PHE A 33 -5.088 1.095 4.564 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.141 -0.041 1.998 1.00 0.00 C ATOM 505 CE2 PHE A 33 -4.043 1.348 3.658 1.00 0.00 C ATOM 506 CZ PHE A 33 -4.058 0.767 2.384 1.00 0.00 C ATOM 0 H PHE A 33 -9.094 -0.522 6.650 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.092 -2.084 5.468 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.236 -0.055 4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.442 0.937 5.749 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.011 -0.932 2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.063 1.530 5.552 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.168 -0.467 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.226 1.993 3.946 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.240 0.939 1.700 1.00 0.00 H new ATOM 516 N TYR A 34 -6.090 -0.232 7.996 1.00 0.00 N ATOM 517 CA TYR A 34 -5.021 0.029 8.950 1.00 0.00 C ATOM 518 C TYR A 34 -4.877 -1.136 9.940 1.00 0.00 C ATOM 519 O TYR A 34 -3.809 -1.361 10.509 1.00 0.00 O ATOM 520 CB TYR A 34 -5.323 1.316 9.717 1.00 0.00 C ATOM 521 CG TYR A 34 -5.235 2.615 8.930 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.254 2.934 8.015 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.206 3.550 9.171 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.304 4.194 7.400 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.265 4.829 8.588 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.340 5.171 7.735 1.00 0.00 C ATOM 527 OH TYR A 34 -5.435 6.428 7.231 1.00 0.00 O ATOM 0 H TYR A 34 -6.956 0.258 8.219 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.085 0.136 8.401 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.328 1.237 10.133 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.634 1.380 10.559 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.009 2.198 7.782 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.372 3.283 9.804 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.074 4.416 6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.488 5.551 8.792 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.691 6.971 7.564 1.00 0.00 H new ATOM 537 N ASN A 35 -5.967 -1.846 10.235 1.00 0.00 N ATOM 538 CA ASN A 35 -5.945 -3.071 11.044 1.00 0.00 C ATOM 539 C ASN A 35 -5.267 -4.220 10.308 1.00 0.00 C ATOM 540 O ASN A 35 -4.713 -5.079 10.982 1.00 0.00 O ATOM 541 CB ASN A 35 -7.341 -3.550 11.470 1.00 0.00 C ATOM 542 CG ASN A 35 -8.043 -2.599 12.431 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.398 -1.908 13.219 1.00 0.00 O ATOM 544 ND2 ASN A 35 -9.362 -2.571 12.444 1.00 0.00 N ATOM 0 H ASN A 35 -6.901 -1.586 9.917 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.381 -2.798 11.936 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.959 -3.678 10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.253 -4.529 11.940 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.853 -1.974 13.110 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.891 -3.146 11.788 1.00 0.00 H new ATOM 551 N PHE A 36 -5.289 -4.261 8.968 1.00 0.00 N ATOM 552 CA PHE A 36 -4.718 -5.359 8.183 1.00 0.00 C ATOM 553 C PHE A 36 -3.294 -5.700 8.646 1.00 0.00 C ATOM 554 O PHE A 36 -2.964 -6.867 8.853 1.00 0.00 O ATOM 555 CB PHE A 36 -4.765 -5.030 6.681 1.00 0.00 C ATOM 556 CG PHE A 36 -3.917 -5.907 5.767 1.00 0.00 C ATOM 557 CD1 PHE A 36 -3.875 -7.310 5.910 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.114 -5.296 4.785 1.00 0.00 C ATOM 559 CE1 PHE A 36 -3.020 -8.083 5.105 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.257 -6.067 3.985 1.00 0.00 C ATOM 561 CZ PHE A 36 -2.199 -7.461 4.153 1.00 0.00 C ATOM 0 H PHE A 36 -5.707 -3.527 8.397 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.326 -6.248 8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.802 -5.094 6.350 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.451 -3.995 6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.504 -7.793 6.643 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.158 -4.226 4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.995 -9.157 5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.641 -5.588 3.239 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.524 -8.052 3.551 1.00 0.00 H new ATOM 571 N TRP A 37 -2.455 -4.684 8.849 1.00 0.00 N ATOM 572 CA TRP A 37 -1.049 -4.879 9.179 1.00 0.00 C ATOM 573 C TRP A 37 -0.805 -5.343 10.619 1.00 0.00 C ATOM 574 O TRP A 37 0.337 -5.666 10.952 1.00 0.00 O ATOM 575 CB TRP A 37 -0.290 -3.567 8.986 1.00 0.00 C ATOM 576 CG TRP A 37 -0.755 -2.650 7.901 1.00 0.00 C ATOM 577 CD1 TRP A 37 -0.969 -2.971 6.605 1.00 0.00 C ATOM 578 CD2 TRP A 37 -1.104 -1.245 8.033 1.00 0.00 C ATOM 579 NE1 TRP A 37 -1.409 -1.854 5.927 1.00 0.00 N ATOM 580 CE2 TRP A 37 -1.518 -0.762 6.761 1.00 0.00 C ATOM 581 CE3 TRP A 37 -1.130 -0.341 9.114 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -1.939 0.560 6.570 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -1.505 1.000 8.929 1.00 0.00 C ATOM 584 CH2 TRP A 37 -1.907 1.449 7.661 1.00 0.00 C ATOM 0 H TRP A 37 -2.734 -3.705 8.789 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.697 -5.665 8.510 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.324 -3.018 9.927 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.756 -3.809 8.796 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.819 -3.948 6.170 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.627 -1.838 4.931 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.857 -0.685 10.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.283 0.892 5.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.484 1.686 9.763 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.193 2.481 7.522 1.00 0.00 H new ATOM 595 N LYS A 38 -1.805 -5.291 11.507 1.00 0.00 N ATOM 596 CA LYS A 38 -1.634 -5.606 12.922 1.00 0.00 C ATOM 597 C LYS A 38 -1.050 -7.016 13.021 1.00 0.00 C ATOM 598 O LYS A 38 -1.556 -7.939 12.378 1.00 0.00 O ATOM 599 CB LYS A 38 -2.982 -5.430 13.657 1.00 0.00 C ATOM 600 CG LYS A 38 -3.337 -3.945 13.830 1.00 0.00 C ATOM 601 CD LYS A 38 -4.681 -3.810 14.557 1.00 0.00 C ATOM 602 CE LYS A 38 -4.922 -2.398 15.112 1.00 0.00 C ATOM 603 NZ LYS A 38 -6.227 -2.284 15.808 1.00 0.00 N ATOM 0 H LYS A 38 -2.758 -5.027 11.258 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.937 -4.927 13.414 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.771 -5.931 13.097 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.930 -5.910 14.634 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.555 -3.439 14.396 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.390 -3.459 12.856 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.487 -4.067 13.870 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.719 -4.528 15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.120 -2.140 15.803 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.884 -1.677 14.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.194 -1.491 16.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.979 -2.116 15.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.424 -3.166 16.323 1.00 0.00 H new ATOM 617 N GLU A 39 0.045 -7.189 13.767 1.00 0.00 N ATOM 618 CA GLU A 39 0.608 -8.517 13.981 1.00 0.00 C ATOM 619 C GLU A 39 -0.443 -9.395 14.657 1.00 0.00 C ATOM 620 O GLU A 39 -1.274 -8.904 15.432 1.00 0.00 O ATOM 621 CB GLU A 39 1.898 -8.483 14.817 1.00 0.00 C ATOM 622 CG GLU A 39 3.128 -8.046 14.015 1.00 0.00 C ATOM 623 CD GLU A 39 3.276 -6.537 13.782 1.00 0.00 C ATOM 624 OE1 GLU A 39 2.555 -5.724 14.408 1.00 0.00 O ATOM 625 OE2 GLU A 39 4.176 -6.156 12.990 1.00 0.00 O ATOM 0 H GLU A 39 0.552 -6.432 14.227 1.00 0.00 H new ATOM 0 HA GLU A 39 0.880 -8.931 13.010 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.760 -7.803 15.657 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.078 -9.473 15.235 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.019 -8.403 14.531 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.100 -8.543 13.045 1.00 0.00 H new ATOM 632 N GLY A 40 -0.414 -10.687 14.336 1.00 0.00 N ATOM 633 CA GLY A 40 -1.310 -11.716 14.852 1.00 0.00 C ATOM 634 C GLY A 40 -2.713 -11.692 14.243 1.00 0.00 C ATOM 635 O GLY A 40 -3.354 -12.741 14.163 1.00 0.00 O ATOM 0 H GLY A 40 0.269 -11.061 13.677 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.864 -12.694 14.670 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.394 -11.600 15.933 1.00 0.00 H new ATOM 639 N TYR A 41 -3.177 -10.541 13.760 1.00 0.00 N ATOM 640 CA TYR A 41 -4.445 -10.351 13.087 1.00 0.00 C ATOM 641 C TYR A 41 -4.407 -11.100 11.758 1.00 0.00 C ATOM 642 O TYR A 41 -3.342 -11.223 11.145 1.00 0.00 O ATOM 643 CB TYR A 41 -4.633 -8.845 12.847 1.00 0.00 C ATOM 644 CG TYR A 41 -5.864 -8.193 13.435 1.00 0.00 C ATOM 645 CD1 TYR A 41 -7.116 -8.293 12.805 1.00 0.00 C ATOM 646 CD2 TYR A 41 -5.713 -7.347 14.545 1.00 0.00 C ATOM 647 CE1 TYR A 41 -8.183 -7.480 13.220 1.00 0.00 C ATOM 648 CE2 TYR A 41 -6.770 -6.534 14.972 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.014 -6.585 14.301 1.00 0.00 C ATOM 650 OH TYR A 41 -9.032 -5.754 14.660 1.00 0.00 O ATOM 0 H TYR A 41 -2.644 -9.674 13.836 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.273 -10.732 13.685 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.758 -8.329 13.243 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.644 -8.675 11.770 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.258 -8.998 11.999 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.772 -7.323 15.075 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.134 -7.539 12.712 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.636 -5.869 15.812 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.753 -5.205 15.422 1.00 0.00 H new ATOM 660 N GLU A 42 -5.565 -11.554 11.292 1.00 0.00 N ATOM 661 CA GLU A 42 -5.743 -12.157 9.989 1.00 0.00 C ATOM 662 C GLU A 42 -6.986 -11.588 9.282 1.00 0.00 C ATOM 663 O GLU A 42 -8.123 -11.764 9.737 1.00 0.00 O ATOM 664 CB GLU A 42 -5.759 -13.692 10.120 1.00 0.00 C ATOM 665 CG GLU A 42 -5.143 -14.201 8.824 1.00 0.00 C ATOM 666 CD GLU A 42 -5.161 -15.718 8.624 1.00 0.00 C ATOM 667 OE1 GLU A 42 -4.307 -16.420 9.214 1.00 0.00 O ATOM 668 OE2 GLU A 42 -5.879 -16.185 7.706 1.00 0.00 O ATOM 0 H GLU A 42 -6.429 -11.508 11.832 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.898 -11.902 9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.185 -14.021 10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.774 -14.067 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.668 -13.738 7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.109 -13.861 8.778 1.00 0.00 H new ATOM 675 N ILE A 43 -6.762 -10.861 8.185 1.00 0.00 N ATOM 676 CA ILE A 43 -7.726 -10.194 7.332 1.00 0.00 C ATOM 677 C ILE A 43 -7.631 -10.831 5.939 1.00 0.00 C ATOM 678 O ILE A 43 -6.724 -10.544 5.152 1.00 0.00 O ATOM 679 CB ILE A 43 -7.456 -8.687 7.305 1.00 0.00 C ATOM 680 CG1 ILE A 43 -7.436 -8.094 8.722 1.00 0.00 C ATOM 681 CG2 ILE A 43 -8.570 -7.979 6.512 1.00 0.00 C ATOM 682 CD1 ILE A 43 -6.153 -8.227 9.542 1.00 0.00 C ATOM 0 H ILE A 43 -5.810 -10.716 7.847 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.741 -10.316 7.711 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.483 -8.535 6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.672 -7.033 8.642 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.243 -8.558 9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.378 -6.906 6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.590 -8.362 5.492 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.532 -8.167 6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.294 -7.761 10.517 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.914 -9.282 9.675 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.334 -7.733 9.019 1.00 0.00 H new ATOM 694 N LYS A 44 -8.575 -11.712 5.619 1.00 0.00 N ATOM 695 CA LYS A 44 -8.641 -12.488 4.378 1.00 0.00 C ATOM 696 C LYS A 44 -9.927 -12.182 3.608 1.00 0.00 C ATOM 697 O LYS A 44 -10.390 -13.007 2.816 1.00 0.00 O ATOM 698 CB LYS A 44 -8.453 -13.972 4.729 1.00 0.00 C ATOM 699 CG LYS A 44 -6.973 -14.284 4.980 1.00 0.00 C ATOM 700 CD LYS A 44 -6.133 -14.464 3.704 1.00 0.00 C ATOM 701 CE LYS A 44 -6.374 -15.834 3.057 1.00 0.00 C ATOM 702 NZ LYS A 44 -7.451 -15.850 2.043 1.00 0.00 N ATOM 0 H LYS A 44 -9.353 -11.916 6.246 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.839 -12.207 3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.038 -14.218 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.829 -14.594 3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.541 -13.478 5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.903 -15.193 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.379 -13.676 2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.076 -14.356 3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.448 -16.170 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.617 -16.554 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.176 -16.543 2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.881 -14.905 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.054 -16.113 1.119 1.00 0.00 H new ATOM 716 N ASN A 45 -10.509 -11.000 3.827 1.00 0.00 N ATOM 717 CA ASN A 45 -11.700 -10.545 3.109 1.00 0.00 C ATOM 718 C ASN A 45 -11.305 -10.107 1.692 1.00 0.00 C ATOM 719 O ASN A 45 -10.223 -10.434 1.214 1.00 0.00 O ATOM 720 CB ASN A 45 -12.457 -9.452 3.895 1.00 0.00 C ATOM 721 CG ASN A 45 -13.823 -9.185 3.278 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.463 -10.099 2.769 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.240 -7.945 3.157 1.00 0.00 N ATOM 0 H ASN A 45 -10.164 -10.328 4.512 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.404 -11.372 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.577 -9.762 4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.871 -8.533 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.096 -7.743 2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.708 -7.184 3.580 1.00 0.00 H new ATOM 730 N ARG A 46 -12.184 -9.438 0.954 1.00 0.00 N ATOM 731 CA ARG A 46 -11.961 -8.974 -0.406 1.00 0.00 C ATOM 732 C ARG A 46 -11.651 -7.487 -0.308 1.00 0.00 C ATOM 733 O ARG A 46 -10.590 -7.063 -0.753 1.00 0.00 O ATOM 734 CB ARG A 46 -13.202 -9.245 -1.265 1.00 0.00 C ATOM 735 CG ARG A 46 -13.888 -10.597 -0.991 1.00 0.00 C ATOM 736 CD ARG A 46 -15.327 -10.491 -1.466 1.00 0.00 C ATOM 737 NE ARG A 46 -15.896 -11.812 -1.750 1.00 0.00 N ATOM 738 CZ ARG A 46 -17.152 -12.196 -1.498 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.933 -11.450 -0.723 1.00 0.00 N ATOM 740 NH2 ARG A 46 -17.634 -13.320 -2.022 1.00 0.00 N ATOM 0 H ARG A 46 -13.111 -9.195 1.305 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.134 -9.498 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.924 -8.446 -1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.916 -9.204 -2.316 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.371 -11.401 -1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.853 -10.835 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.927 -9.991 -0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.371 -9.874 -2.363 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.278 -12.501 -2.179 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.574 -10.584 -0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.891 -11.743 -0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.044 -13.897 -2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.593 -13.605 -1.824 1.00 0.00 H new ATOM 754 N GLU A 47 -12.535 -6.714 0.338 1.00 0.00 N ATOM 755 CA GLU A 47 -12.518 -5.248 0.419 1.00 0.00 C ATOM 756 C GLU A 47 -11.160 -4.657 0.858 1.00 0.00 C ATOM 757 O GLU A 47 -10.857 -3.505 0.538 1.00 0.00 O ATOM 758 CB GLU A 47 -13.658 -4.742 1.323 1.00 0.00 C ATOM 759 CG GLU A 47 -15.062 -4.927 0.713 1.00 0.00 C ATOM 760 CD GLU A 47 -15.699 -6.287 1.025 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.350 -7.289 0.373 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.518 -6.416 1.964 1.00 0.00 O ATOM 0 H GLU A 47 -13.323 -7.117 0.845 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.677 -4.890 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.614 -5.268 2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.500 -3.684 1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.715 -4.137 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.997 -4.806 -0.368 1.00 0.00 H new ATOM 769 N THR A 48 -10.323 -5.431 1.546 1.00 0.00 N ATOM 770 CA THR A 48 -8.914 -5.170 1.824 1.00 0.00 C ATOM 771 C THR A 48 -8.131 -4.948 0.525 1.00 0.00 C ATOM 772 O THR A 48 -7.643 -3.844 0.275 1.00 0.00 O ATOM 773 CB THR A 48 -8.376 -6.358 2.648 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.321 -6.701 3.640 1.00 0.00 O ATOM 775 CG2 THR A 48 -7.025 -6.068 3.308 1.00 0.00 C ATOM 0 H THR A 48 -10.632 -6.315 1.950 1.00 0.00 H new ATOM 0 HA THR A 48 -8.793 -4.252 2.399 1.00 0.00 H new ATOM 0 HB THR A 48 -8.219 -7.186 1.956 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.492 -7.666 3.610 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.701 -6.942 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.287 -5.838 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.124 -5.217 3.982 1.00 0.00 H new ATOM 783 N GLY A 49 -8.038 -5.975 -0.323 1.00 0.00 N ATOM 784 CA GLY A 49 -7.301 -5.920 -1.574 1.00 0.00 C ATOM 785 C GLY A 49 -7.922 -4.921 -2.533 1.00 0.00 C ATOM 786 O GLY A 49 -7.190 -4.240 -3.239 1.00 0.00 O ATOM 0 H GLY A 49 -8.481 -6.878 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.265 -5.644 -1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.285 -6.908 -2.034 1.00 0.00 H new ATOM 790 N CYS A 50 -9.250 -4.786 -2.540 1.00 0.00 N ATOM 791 CA CYS A 50 -9.945 -3.720 -3.233 1.00 0.00 C ATOM 792 C CYS A 50 -9.415 -2.344 -2.812 1.00 0.00 C ATOM 793 O CYS A 50 -9.068 -1.557 -3.686 1.00 0.00 O ATOM 794 CB CYS A 50 -11.439 -3.786 -2.934 1.00 0.00 C ATOM 795 SG CYS A 50 -12.450 -5.225 -3.423 1.00 0.00 S ATOM 0 H CYS A 50 -9.875 -5.429 -2.054 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.771 -3.853 -4.301 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.551 -3.673 -1.856 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.893 -2.909 -3.396 1.00 0.00 H new ATOM 800 N ALA A 51 -9.363 -2.024 -1.508 1.00 0.00 N ATOM 801 CA ALA A 51 -8.882 -0.717 -1.057 1.00 0.00 C ATOM 802 C ALA A 51 -7.434 -0.512 -1.493 1.00 0.00 C ATOM 803 O ALA A 51 -7.114 0.568 -1.974 1.00 0.00 O ATOM 804 CB ALA A 51 -9.033 -0.523 0.467 1.00 0.00 C ATOM 0 H ALA A 51 -9.647 -2.651 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.508 0.041 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.661 0.463 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.085 -0.606 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.460 -1.289 0.990 1.00 0.00 H new ATOM 810 N ILE A 52 -6.572 -1.525 -1.353 1.00 0.00 N ATOM 811 CA ILE A 52 -5.189 -1.494 -1.829 1.00 0.00 C ATOM 812 C ILE A 52 -5.160 -1.179 -3.339 1.00 0.00 C ATOM 813 O ILE A 52 -4.545 -0.203 -3.744 1.00 0.00 O ATOM 814 CB ILE A 52 -4.490 -2.817 -1.436 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.379 -2.915 0.103 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.090 -2.929 -2.047 1.00 0.00 C ATOM 817 CD1 ILE A 52 -3.875 -4.265 0.607 1.00 0.00 C ATOM 0 H ILE A 52 -6.822 -2.403 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.623 -0.693 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.097 -3.634 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.708 -2.133 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.358 -2.718 0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.636 -3.873 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.163 -2.893 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.473 -2.101 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.826 -4.252 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.557 -5.052 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.882 -4.457 0.201 1.00 0.00 H new ATOM 829 N MET A 53 -5.846 -1.968 -4.165 1.00 0.00 N ATOM 830 CA MET A 53 -5.859 -1.856 -5.623 1.00 0.00 C ATOM 831 C MET A 53 -6.398 -0.500 -6.085 1.00 0.00 C ATOM 832 O MET A 53 -5.857 0.118 -6.996 1.00 0.00 O ATOM 833 CB MET A 53 -6.727 -3.001 -6.158 1.00 0.00 C ATOM 834 CG MET A 53 -6.783 -3.079 -7.681 1.00 0.00 C ATOM 835 SD MET A 53 -8.359 -2.547 -8.413 1.00 0.00 S ATOM 836 CE MET A 53 -9.510 -3.682 -7.590 1.00 0.00 C ATOM 0 H MET A 53 -6.430 -2.732 -3.824 1.00 0.00 H new ATOM 0 HA MET A 53 -4.842 -1.926 -6.010 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.344 -3.945 -5.770 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.740 -2.885 -5.773 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.982 -2.465 -8.092 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.585 -4.107 -7.986 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.349 -3.894 -8.253 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.994 -4.612 -7.349 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.879 -3.224 -6.673 1.00 0.00 H new ATOM 846 N CYS A 54 -7.460 -0.010 -5.444 1.00 0.00 N ATOM 847 CA CYS A 54 -7.992 1.321 -5.685 1.00 0.00 C ATOM 848 C CYS A 54 -6.926 2.360 -5.323 1.00 0.00 C ATOM 849 O CYS A 54 -6.656 3.301 -6.070 1.00 0.00 O ATOM 850 CB CYS A 54 -9.279 1.481 -4.867 1.00 0.00 C ATOM 851 SG CYS A 54 -10.039 3.117 -4.971 1.00 0.00 S ATOM 0 H CYS A 54 -7.976 -0.535 -4.738 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.242 1.471 -6.735 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.002 0.737 -5.202 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.059 1.263 -3.822 1.00 0.00 H new ATOM 856 N LEU A 55 -6.289 2.195 -4.165 1.00 0.00 N ATOM 857 CA LEU A 55 -5.263 3.115 -3.703 1.00 0.00 C ATOM 858 C LEU A 55 -4.016 3.120 -4.573 1.00 0.00 C ATOM 859 O LEU A 55 -3.297 4.121 -4.540 1.00 0.00 O ATOM 860 CB LEU A 55 -4.878 2.815 -2.253 1.00 0.00 C ATOM 861 CG LEU A 55 -5.865 3.409 -1.243 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.530 2.816 0.122 1.00 0.00 C ATOM 863 CD2 LEU A 55 -5.777 4.940 -1.222 1.00 0.00 C ATOM 0 H LEU A 55 -6.472 1.421 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.704 4.110 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.826 1.736 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.882 3.211 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.890 3.162 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.214 3.216 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.630 1.731 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.506 3.076 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.488 5.335 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.768 5.243 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.013 5.332 -2.212 1.00 0.00 H new ATOM 875 N SER A 56 -3.771 2.081 -5.376 1.00 0.00 N ATOM 876 CA SER A 56 -2.609 2.042 -6.246 1.00 0.00 C ATOM 877 C SER A 56 -2.650 3.201 -7.259 1.00 0.00 C ATOM 878 O SER A 56 -1.606 3.626 -7.742 1.00 0.00 O ATOM 879 CB SER A 56 -2.423 0.630 -6.849 1.00 0.00 C ATOM 880 OG SER A 56 -2.877 0.476 -8.178 1.00 0.00 O ATOM 0 H SER A 56 -4.368 1.257 -5.436 1.00 0.00 H new ATOM 0 HA SER A 56 -1.700 2.214 -5.669 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.364 0.374 -6.812 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.947 -0.088 -6.218 1.00 0.00 H new ATOM 0 HG SER A 56 -3.844 0.317 -8.177 1.00 0.00 H new ATOM 886 N THR A 57 -3.819 3.821 -7.489 1.00 0.00 N ATOM 887 CA THR A 57 -3.995 4.934 -8.425 1.00 0.00 C ATOM 888 C THR A 57 -4.349 6.235 -7.685 1.00 0.00 C ATOM 889 O THR A 57 -4.924 7.156 -8.272 1.00 0.00 O ATOM 890 CB THR A 57 -4.942 4.509 -9.574 1.00 0.00 C ATOM 891 OG1 THR A 57 -5.240 5.561 -10.479 1.00 0.00 O ATOM 892 CG2 THR A 57 -6.266 3.891 -9.113 1.00 0.00 C ATOM 0 H THR A 57 -4.683 3.554 -7.018 1.00 0.00 H new ATOM 0 HA THR A 57 -3.054 5.180 -8.918 1.00 0.00 H new ATOM 0 HB THR A 57 -4.361 3.740 -10.083 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.287 6.409 -9.991 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.865 3.624 -9.983 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.064 2.997 -8.523 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.812 4.612 -8.504 1.00 0.00 H new ATOM 900 N LYS A 58 -4.025 6.332 -6.390 1.00 0.00 N ATOM 901 CA LYS A 58 -4.334 7.478 -5.524 1.00 0.00 C ATOM 902 C LYS A 58 -3.080 8.158 -5.000 1.00 0.00 C ATOM 903 O LYS A 58 -3.192 8.965 -4.082 1.00 0.00 O ATOM 904 CB LYS A 58 -5.265 7.024 -4.383 1.00 0.00 C ATOM 905 CG LYS A 58 -6.712 6.845 -4.862 1.00 0.00 C ATOM 906 CD LYS A 58 -7.551 8.081 -4.621 1.00 0.00 C ATOM 907 CE LYS A 58 -8.960 7.827 -5.139 1.00 0.00 C ATOM 908 NZ LYS A 58 -9.055 7.870 -6.613 1.00 0.00 N ATOM 0 H LYS A 58 -3.524 5.591 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.852 8.231 -6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.901 6.084 -3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.237 7.758 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.714 6.608 -5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.161 5.997 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.577 8.318 -3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.112 8.940 -5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.299 6.852 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.635 8.571 -4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.523 8.752 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.100 7.832 -7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.609 7.057 -6.949 1.00 0.00 H new ATOM 922 N LEU A 59 -1.906 7.881 -5.561 1.00 0.00 N ATOM 923 CA LEU A 59 -0.628 8.378 -5.056 1.00 0.00 C ATOM 924 C LEU A 59 -0.644 9.910 -4.892 1.00 0.00 C ATOM 925 O LEU A 59 -0.125 10.419 -3.901 1.00 0.00 O ATOM 926 CB LEU A 59 0.529 7.897 -5.960 1.00 0.00 C ATOM 927 CG LEU A 59 0.455 6.440 -6.479 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.597 6.154 -7.458 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.454 5.390 -5.360 1.00 0.00 C ATOM 0 H LEU A 59 -1.814 7.296 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.464 7.964 -4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.584 8.562 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.462 8.013 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.503 6.356 -6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.525 5.125 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.527 6.834 -8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.553 6.300 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.400 4.393 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.369 5.481 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.408 5.549 -4.712 1.00 0.00 H new ATOM 941 N ASN A 60 -1.344 10.642 -5.770 1.00 0.00 N ATOM 942 CA ASN A 60 -1.470 12.107 -5.743 1.00 0.00 C ATOM 943 C ASN A 60 -2.197 12.617 -4.500 1.00 0.00 C ATOM 944 O ASN A 60 -1.962 13.747 -4.071 1.00 0.00 O ATOM 945 CB ASN A 60 -2.239 12.621 -6.979 1.00 0.00 C ATOM 946 CG ASN A 60 -3.620 11.991 -7.130 1.00 0.00 C ATOM 947 OD1 ASN A 60 -4.621 12.523 -6.657 1.00 0.00 O ATOM 948 ND2 ASN A 60 -3.696 10.824 -7.753 1.00 0.00 N ATOM 0 H ASN A 60 -1.855 10.217 -6.544 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.448 12.486 -5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.346 13.703 -6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.653 12.416 -7.875 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.596 10.353 -7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.854 10.397 -8.140 1.00 0.00 H new ATOM 955 N MET A 61 -3.091 11.806 -3.932 1.00 0.00 N ATOM 956 CA MET A 61 -3.795 12.108 -2.696 1.00 0.00 C ATOM 957 C MET A 61 -2.850 11.901 -1.518 1.00 0.00 C ATOM 958 O MET A 61 -2.845 12.704 -0.585 1.00 0.00 O ATOM 959 CB MET A 61 -5.001 11.166 -2.537 1.00 0.00 C ATOM 960 CG MET A 61 -6.055 11.336 -3.629 1.00 0.00 C ATOM 961 SD MET A 61 -7.066 12.835 -3.481 1.00 0.00 S ATOM 962 CE MET A 61 -8.086 12.425 -2.034 1.00 0.00 C ATOM 0 H MET A 61 -3.347 10.903 -4.331 1.00 0.00 H new ATOM 0 HA MET A 61 -4.141 13.141 -2.724 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.649 10.134 -2.540 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.464 11.342 -1.566 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.556 11.345 -4.598 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.714 10.468 -3.618 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.898 13.147 -1.945 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.501 11.424 -2.153 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.471 12.458 -1.134 1.00 0.00 H new ATOM 972 N LEU A 62 -2.120 10.779 -1.543 1.00 0.00 N ATOM 973 CA LEU A 62 -1.349 10.240 -0.439 1.00 0.00 C ATOM 974 C LEU A 62 -0.100 11.057 -0.209 1.00 0.00 C ATOM 975 O LEU A 62 0.168 11.426 0.932 1.00 0.00 O ATOM 976 CB LEU A 62 -0.963 8.786 -0.745 1.00 0.00 C ATOM 977 CG LEU A 62 -2.130 7.854 -1.044 1.00 0.00 C ATOM 978 CD1 LEU A 62 -1.641 6.529 -1.615 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.930 7.611 0.225 1.00 0.00 C ATOM 0 H LEU A 62 -2.054 10.201 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.960 10.278 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.285 8.779 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.409 8.387 0.105 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.767 8.329 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.495 5.883 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.095 6.711 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.983 6.043 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.764 6.944 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.288 7.155 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.313 8.560 0.601 1.00 0.00 H new ATOM 991 N ASP A 63 0.648 11.313 -1.282 1.00 0.00 N ATOM 992 CA ASP A 63 1.799 12.215 -1.243 1.00 0.00 C ATOM 993 C ASP A 63 1.464 13.430 -2.103 1.00 0.00 C ATOM 994 O ASP A 63 1.350 13.286 -3.325 1.00 0.00 O ATOM 995 CB ASP A 63 3.148 11.609 -1.664 1.00 0.00 C ATOM 996 CG ASP A 63 4.203 12.625 -1.219 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.356 13.650 -1.915 1.00 0.00 O ATOM 998 OD2 ASP A 63 4.791 12.441 -0.127 1.00 0.00 O ATOM 0 H ASP A 63 0.474 10.903 -2.200 1.00 0.00 H new ATOM 0 HA ASP A 63 1.955 12.475 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.309 10.641 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.188 11.447 -2.741 1.00 0.00 H new ATOM 1003 N PRO A 64 1.248 14.610 -1.504 1.00 0.00 N ATOM 1004 CA PRO A 64 0.755 15.762 -2.236 1.00 0.00 C ATOM 1005 C PRO A 64 1.764 16.300 -3.247 1.00 0.00 C ATOM 1006 O PRO A 64 1.365 16.850 -4.280 1.00 0.00 O ATOM 1007 CB PRO A 64 0.446 16.806 -1.168 1.00 0.00 C ATOM 1008 CG PRO A 64 1.324 16.430 0.022 1.00 0.00 C ATOM 1009 CD PRO A 64 1.410 14.914 -0.088 1.00 0.00 C ATOM 0 HA PRO A 64 -0.119 15.496 -2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.672 17.812 -1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.610 16.793 -0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.307 16.896 -0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.880 16.742 0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.367 14.548 0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.633 14.434 0.507 1.00 0.00 H new ATOM 1017 N GLU A 65 3.056 16.177 -2.952 1.00 0.00 N ATOM 1018 CA GLU A 65 4.155 16.641 -3.782 1.00 0.00 C ATOM 1019 C GLU A 65 4.396 15.733 -4.989 1.00 0.00 C ATOM 1020 O GLU A 65 5.157 16.094 -5.893 1.00 0.00 O ATOM 1021 CB GLU A 65 5.428 16.687 -2.941 1.00 0.00 C ATOM 1022 CG GLU A 65 5.384 17.586 -1.706 1.00 0.00 C ATOM 1023 CD GLU A 65 6.691 17.409 -0.933 1.00 0.00 C ATOM 1024 OE1 GLU A 65 7.770 17.582 -1.554 1.00 0.00 O ATOM 1025 OE2 GLU A 65 6.656 16.959 0.234 1.00 0.00 O ATOM 0 H GLU A 65 3.375 15.732 -2.091 1.00 0.00 H new ATOM 0 HA GLU A 65 3.891 17.631 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.664 15.673 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.248 17.018 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.255 18.628 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.533 17.325 -1.077 1.00 0.00 H new ATOM 1032 N GLY A 66 3.756 14.562 -5.030 1.00 0.00 N ATOM 1033 CA GLY A 66 3.704 13.739 -6.222 1.00 0.00 C ATOM 1034 C GLY A 66 4.940 12.874 -6.464 1.00 0.00 C ATOM 1035 O GLY A 66 4.992 12.205 -7.488 1.00 0.00 O ATOM 0 H GLY A 66 3.261 14.165 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.831 13.089 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.557 14.387 -7.086 1.00 0.00 H new ATOM 1039 N ASN A 67 5.922 12.861 -5.556 1.00 0.00 N ATOM 1040 CA ASN A 67 7.175 12.098 -5.662 1.00 0.00 C ATOM 1041 C ASN A 67 6.915 10.633 -5.954 1.00 0.00 C ATOM 1042 O ASN A 67 7.579 10.041 -6.809 1.00 0.00 O ATOM 1043 CB ASN A 67 8.028 12.140 -4.381 1.00 0.00 C ATOM 1044 CG ASN A 67 7.165 12.350 -3.178 1.00 0.00 C ATOM 1045 OD1 ASN A 67 6.637 11.400 -2.613 1.00 0.00 O ATOM 1046 ND2 ASN A 67 6.947 13.604 -2.874 1.00 0.00 N ATOM 0 H ASN A 67 5.866 13.402 -4.693 1.00 0.00 H new ATOM 0 HA ASN A 67 7.713 12.580 -6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.584 11.208 -4.278 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.762 12.943 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.300 13.841 -2.122 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.424 14.344 -3.389 1.00 0.00 H new ATOM 1053 N LEU A 68 6.029 10.029 -5.162 1.00 0.00 N ATOM 1054 CA LEU A 68 5.618 8.643 -5.303 1.00 0.00 C ATOM 1055 C LEU A 68 4.891 8.493 -6.642 1.00 0.00 C ATOM 1056 O LEU A 68 3.704 8.805 -6.728 1.00 0.00 O ATOM 1057 CB LEU A 68 4.760 8.221 -4.090 1.00 0.00 C ATOM 1058 CG LEU A 68 4.375 6.722 -4.145 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.625 5.844 -4.129 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.486 6.295 -2.976 1.00 0.00 C ATOM 0 H LEU A 68 5.569 10.507 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 68 6.477 7.973 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.310 8.421 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.855 8.827 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 68 3.819 6.591 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.333 4.795 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.247 6.080 -4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.189 6.030 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.249 5.235 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.011 6.469 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.564 6.876 -2.989 1.00 0.00 H new ATOM 1072 N HIS A 69 5.609 8.100 -7.695 1.00 0.00 N ATOM 1073 CA HIS A 69 5.049 7.838 -9.015 1.00 0.00 C ATOM 1074 C HIS A 69 4.632 6.378 -9.098 1.00 0.00 C ATOM 1075 O HIS A 69 5.139 5.529 -8.365 1.00 0.00 O ATOM 1076 CB HIS A 69 6.109 8.080 -10.098 1.00 0.00 C ATOM 1077 CG HIS A 69 6.570 9.511 -10.272 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.729 9.908 -10.897 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.926 10.648 -9.861 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.801 11.246 -10.841 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.705 11.746 -10.250 1.00 0.00 N ATOM 0 H HIS A 69 6.617 7.953 -7.650 1.00 0.00 H new ATOM 0 HA HIS A 69 4.197 8.500 -9.170 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.979 7.465 -9.869 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.712 7.729 -11.051 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.986 10.691 -9.332 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.623 11.836 -11.218 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.483 12.732 -10.111 1.00 0.00 H new ATOM 1089 N HIS A 70 3.798 6.099 -10.091 1.00 0.00 N ATOM 1090 CA HIS A 70 3.420 4.767 -10.526 1.00 0.00 C ATOM 1091 C HIS A 70 4.704 4.084 -10.998 1.00 0.00 C ATOM 1092 O HIS A 70 5.376 4.565 -11.913 1.00 0.00 O ATOM 1093 CB HIS A 70 2.332 4.911 -11.603 1.00 0.00 C ATOM 1094 CG HIS A 70 1.819 3.675 -12.304 1.00 0.00 C ATOM 1095 ND1 HIS A 70 0.865 3.690 -13.293 1.00 0.00 N ATOM 1096 CD2 HIS A 70 2.187 2.372 -12.120 1.00 0.00 C ATOM 1097 CE1 HIS A 70 0.695 2.433 -13.725 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.496 1.585 -13.052 1.00 0.00 N ATOM 0 H HIS A 70 3.347 6.832 -10.639 1.00 0.00 H new ATOM 0 HA HIS A 70 2.987 4.144 -9.743 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.477 5.405 -11.141 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.715 5.586 -12.368 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.889 2.011 -11.383 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.009 2.140 -14.506 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.582 0.578 -13.192 1.00 0.00 H new ATOM 1106 N GLY A 71 5.078 3.005 -10.316 1.00 0.00 N ATOM 1107 CA GLY A 71 6.225 2.161 -10.602 1.00 0.00 C ATOM 1108 C GLY A 71 7.581 2.783 -10.273 1.00 0.00 C ATOM 1109 O GLY A 71 8.588 2.131 -10.540 1.00 0.00 O ATOM 0 H GLY A 71 4.555 2.681 -9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.122 1.232 -10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.209 1.898 -11.660 1.00 0.00 H new ATOM 1113 N ASN A 72 7.643 4.006 -9.718 1.00 0.00 N ATOM 1114 CA ASN A 72 8.914 4.679 -9.444 1.00 0.00 C ATOM 1115 C ASN A 72 8.894 5.373 -8.082 1.00 0.00 C ATOM 1116 O ASN A 72 8.678 6.588 -7.981 1.00 0.00 O ATOM 1117 CB ASN A 72 9.301 5.654 -10.573 1.00 0.00 C ATOM 1118 CG ASN A 72 10.798 5.958 -10.549 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.530 5.574 -9.635 1.00 0.00 O ATOM 1120 ND2 ASN A 72 11.292 6.685 -11.533 1.00 0.00 N ATOM 0 H ASN A 72 6.820 4.547 -9.451 1.00 0.00 H new ATOM 0 HA ASN A 72 9.686 3.911 -9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.030 5.225 -11.537 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.737 6.581 -10.467 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.282 6.930 -11.538 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.684 7.001 -12.288 1.00 0.00 H new ATOM 1127 N ALA A 73 9.147 4.618 -7.019 1.00 0.00 N ATOM 1128 CA ALA A 73 9.036 5.038 -5.629 1.00 0.00 C ATOM 1129 C ALA A 73 10.406 5.214 -4.954 1.00 0.00 C ATOM 1130 O ALA A 73 10.454 5.462 -3.752 1.00 0.00 O ATOM 1131 CB ALA A 73 8.168 4.020 -4.884 1.00 0.00 C ATOM 0 H ALA A 73 9.450 3.648 -7.109 1.00 0.00 H new ATOM 0 HA ALA A 73 8.567 6.021 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.073 4.318 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.179 3.981 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.633 3.036 -4.940 1.00 0.00 H new ATOM 1137 N MET A 74 11.528 5.143 -5.681 1.00 0.00 N ATOM 1138 CA MET A 74 12.845 4.994 -5.073 1.00 0.00 C ATOM 1139 C MET A 74 13.279 6.288 -4.405 1.00 0.00 C ATOM 1140 O MET A 74 14.016 6.265 -3.426 1.00 0.00 O ATOM 1141 CB MET A 74 13.885 4.598 -6.127 1.00 0.00 C ATOM 1142 CG MET A 74 13.814 3.113 -6.485 1.00 0.00 C ATOM 1143 SD MET A 74 15.249 2.559 -7.443 1.00 0.00 S ATOM 1144 CE MET A 74 15.030 0.767 -7.299 1.00 0.00 C ATOM 0 H MET A 74 11.543 5.187 -6.700 1.00 0.00 H new ATOM 0 HA MET A 74 12.776 4.208 -4.321 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.732 5.194 -7.027 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.883 4.832 -5.756 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.744 2.525 -5.570 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.905 2.924 -7.056 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.887 0.259 -7.742 1.00 0.00 H new ATOM 0 HE2 MET A 74 14.950 0.494 -6.247 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.121 0.468 -7.821 1.00 0.00 H new ATOM 1154 N GLU A 75 12.829 7.429 -4.923 1.00 0.00 N ATOM 1155 CA GLU A 75 13.081 8.717 -4.284 1.00 0.00 C ATOM 1156 C GLU A 75 12.318 8.769 -2.959 1.00 0.00 C ATOM 1157 O GLU A 75 12.903 9.041 -1.914 1.00 0.00 O ATOM 1158 CB GLU A 75 12.644 9.851 -5.226 1.00 0.00 C ATOM 1159 CG GLU A 75 13.557 10.074 -6.444 1.00 0.00 C ATOM 1160 CD GLU A 75 14.448 11.318 -6.357 1.00 0.00 C ATOM 1161 OE1 GLU A 75 14.970 11.629 -5.258 1.00 0.00 O ATOM 1162 OE2 GLU A 75 14.644 11.985 -7.400 1.00 0.00 O ATOM 0 H GLU A 75 12.287 7.487 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 75 14.144 8.840 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.635 9.639 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.593 10.778 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.192 9.197 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.937 10.150 -7.337 1.00 0.00 H new ATOM 1169 N PHE A 76 11.023 8.446 -2.985 1.00 0.00 N ATOM 1170 CA PHE A 76 10.166 8.373 -1.814 1.00 0.00 C ATOM 1171 C PHE A 76 10.732 7.404 -0.764 1.00 0.00 C ATOM 1172 O PHE A 76 10.752 7.728 0.424 1.00 0.00 O ATOM 1173 CB PHE A 76 8.760 8.002 -2.319 1.00 0.00 C ATOM 1174 CG PHE A 76 7.808 7.558 -1.241 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.092 8.520 -0.514 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.664 6.190 -0.949 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.291 8.123 0.570 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.796 5.789 0.080 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.134 6.757 0.857 1.00 0.00 C ATOM 0 H PHE A 76 10.533 8.222 -3.851 1.00 0.00 H new ATOM 0 HA PHE A 76 10.114 9.327 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.333 8.864 -2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.851 7.205 -3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.156 9.563 -0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.217 5.453 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.798 8.865 1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.637 4.739 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.503 6.449 1.677 1.00 0.00 H new ATOM 1189 N ALA A 77 11.252 6.249 -1.183 1.00 0.00 N ATOM 1190 CA ALA A 77 11.954 5.307 -0.325 1.00 0.00 C ATOM 1191 C ALA A 77 13.175 5.974 0.311 1.00 0.00 C ATOM 1192 O ALA A 77 13.318 5.951 1.540 1.00 0.00 O ATOM 1193 CB ALA A 77 12.326 4.062 -1.145 1.00 0.00 C ATOM 0 H ALA A 77 11.192 5.940 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 77 11.308 4.991 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.853 3.351 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.419 3.598 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.970 4.352 -1.975 1.00 0.00 H new ATOM 1199 N LYS A 78 14.020 6.634 -0.491 1.00 0.00 N ATOM 1200 CA LYS A 78 15.222 7.286 0.020 1.00 0.00 C ATOM 1201 C LYS A 78 14.901 8.411 0.993 1.00 0.00 C ATOM 1202 O LYS A 78 15.745 8.723 1.836 1.00 0.00 O ATOM 1203 CB LYS A 78 16.089 7.789 -1.144 1.00 0.00 C ATOM 1204 CG LYS A 78 16.800 6.650 -1.895 1.00 0.00 C ATOM 1205 CD LYS A 78 17.325 7.168 -3.240 1.00 0.00 C ATOM 1206 CE LYS A 78 18.122 6.090 -3.980 1.00 0.00 C ATOM 1207 NZ LYS A 78 18.554 6.564 -5.313 1.00 0.00 N ATOM 0 H LYS A 78 13.889 6.728 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 78 15.786 6.542 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.464 8.344 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.834 8.486 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.625 6.265 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.110 5.822 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.488 7.493 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.957 8.041 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.995 5.810 -3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.511 5.194 -4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.092 5.813 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.719 6.808 -5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.156 7.405 -5.204 1.00 0.00 H new ATOM 1221 N LYS A 79 13.721 9.042 0.957 1.00 0.00 N ATOM 1222 CA LYS A 79 13.389 10.027 1.995 1.00 0.00 C ATOM 1223 C LYS A 79 13.269 9.380 3.358 1.00 0.00 C ATOM 1224 O LYS A 79 13.574 10.035 4.359 1.00 0.00 O ATOM 1225 CB LYS A 79 12.117 10.819 1.708 1.00 0.00 C ATOM 1226 CG LYS A 79 12.257 11.481 0.342 1.00 0.00 C ATOM 1227 CD LYS A 79 11.361 12.703 0.164 1.00 0.00 C ATOM 1228 CE LYS A 79 11.332 13.057 -1.327 1.00 0.00 C ATOM 1229 NZ LYS A 79 12.634 13.586 -1.780 1.00 0.00 N ATOM 0 H LYS A 79 13.002 8.897 0.248 1.00 0.00 H new ATOM 0 HA LYS A 79 14.223 10.729 1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.249 10.160 1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.958 11.572 2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.296 11.777 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.021 10.751 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.354 12.493 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.741 13.542 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.075 12.171 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.553 13.796 -1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.558 13.895 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.906 14.394 -1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.356 12.842 -1.704 1.00 0.00 H new ATOM 1243 N HIS A 80 12.867 8.113 3.400 1.00 0.00 N ATOM 1244 CA HIS A 80 12.509 7.410 4.609 1.00 0.00 C ATOM 1245 C HIS A 80 13.616 6.423 4.985 1.00 0.00 C ATOM 1246 O HIS A 80 13.426 5.588 5.872 1.00 0.00 O ATOM 1247 CB HIS A 80 11.122 6.802 4.366 1.00 0.00 C ATOM 1248 CG HIS A 80 10.083 7.855 4.026 1.00 0.00 C ATOM 1249 ND1 HIS A 80 9.329 7.935 2.874 1.00 0.00 N ATOM 1250 CD2 HIS A 80 9.881 9.023 4.711 1.00 0.00 C ATOM 1251 CE1 HIS A 80 8.672 9.108 2.887 1.00 0.00 C ATOM 1252 NE2 HIS A 80 8.967 9.804 3.999 1.00 0.00 N ATOM 0 H HIS A 80 12.782 7.537 2.563 1.00 0.00 H new ATOM 0 HA HIS A 80 12.431 8.056 5.483 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.182 6.078 3.553 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.806 6.257 5.255 1.00 0.00 H new ATOM 0 HD1 HIS A 80 9.279 7.228 2.140 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.350 9.295 5.645 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.000 9.445 2.111 1.00 0.00 H new ATOM 1260 N GLY A 81 14.795 6.535 4.354 1.00 0.00 N ATOM 1261 CA GLY A 81 15.984 5.799 4.761 1.00 0.00 C ATOM 1262 C GLY A 81 16.156 4.459 4.069 1.00 0.00 C ATOM 1263 O GLY A 81 17.133 3.755 4.339 1.00 0.00 O ATOM 0 H GLY A 81 14.943 7.141 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.863 6.413 4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 81 15.945 5.636 5.838 1.00 0.00 H new ATOM 1267 N ALA A 82 15.180 4.075 3.256 1.00 0.00 N ATOM 1268 CA ALA A 82 15.271 2.906 2.401 1.00 0.00 C ATOM 1269 C ALA A 82 16.120 3.299 1.194 1.00 0.00 C ATOM 1270 O ALA A 82 15.725 4.156 0.409 1.00 0.00 O ATOM 1271 CB ALA A 82 13.873 2.415 2.023 1.00 0.00 C ATOM 0 H ALA A 82 14.294 4.574 3.173 1.00 0.00 H new ATOM 0 HA ALA A 82 15.747 2.067 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.957 1.538 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.323 2.153 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.342 3.204 1.491 1.00 0.00 H new ATOM 1277 N ASP A 83 17.342 2.777 1.086 1.00 0.00 N ATOM 1278 CA ASP A 83 18.199 3.022 -0.066 1.00 0.00 C ATOM 1279 C ASP A 83 17.655 2.307 -1.301 1.00 0.00 C ATOM 1280 O ASP A 83 16.631 1.627 -1.271 1.00 0.00 O ATOM 1281 CB ASP A 83 19.649 2.601 0.194 1.00 0.00 C ATOM 1282 CG ASP A 83 19.831 1.238 0.843 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.592 0.231 0.145 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.279 1.189 2.016 1.00 0.00 O ATOM 0 H ASP A 83 17.761 2.175 1.794 1.00 0.00 H new ATOM 0 HA ASP A 83 18.197 4.097 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.186 2.606 -0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.118 3.352 0.830 1.00 0.00 H new ATOM 1289 N GLU A 84 18.351 2.479 -2.420 1.00 0.00 N ATOM 1290 CA GLU A 84 17.985 1.898 -3.687 1.00 0.00 C ATOM 1291 C GLU A 84 18.049 0.370 -3.633 1.00 0.00 C ATOM 1292 O GLU A 84 17.231 -0.267 -4.283 1.00 0.00 O ATOM 1293 CB GLU A 84 18.931 2.522 -4.715 1.00 0.00 C ATOM 1294 CG GLU A 84 19.243 1.642 -5.911 1.00 0.00 C ATOM 1295 CD GLU A 84 19.973 2.470 -6.962 1.00 0.00 C ATOM 1296 OE1 GLU A 84 21.204 2.652 -6.839 1.00 0.00 O ATOM 1297 OE2 GLU A 84 19.294 3.126 -7.792 1.00 0.00 O ATOM 0 H GLU A 84 19.202 3.040 -2.462 1.00 0.00 H new ATOM 0 HA GLU A 84 16.952 2.110 -3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.493 3.454 -5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.866 2.780 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.858 0.796 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.322 1.233 -6.327 1.00 0.00 H new ATOM 1304 N THR A 85 18.976 -0.231 -2.883 1.00 0.00 N ATOM 1305 CA THR A 85 19.059 -1.686 -2.810 1.00 0.00 C ATOM 1306 C THR A 85 17.874 -2.229 -2.009 1.00 0.00 C ATOM 1307 O THR A 85 17.290 -3.245 -2.386 1.00 0.00 O ATOM 1308 CB THR A 85 20.375 -2.133 -2.149 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.470 -1.313 -2.505 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.725 -3.566 -2.553 1.00 0.00 C ATOM 0 H THR A 85 19.671 0.264 -2.324 1.00 0.00 H new ATOM 0 HA THR A 85 19.032 -2.082 -3.825 1.00 0.00 H new ATOM 0 HB THR A 85 20.206 -2.058 -1.075 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.280 -1.637 -2.059 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.659 -3.861 -2.074 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.927 -4.238 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.839 -3.621 -3.636 1.00 0.00 H new ATOM 1318 N MET A 86 17.519 -1.556 -0.913 1.00 0.00 N ATOM 1319 CA MET A 86 16.355 -1.838 -0.094 1.00 0.00 C ATOM 1320 C MET A 86 15.094 -1.738 -0.941 1.00 0.00 C ATOM 1321 O MET A 86 14.320 -2.690 -0.980 1.00 0.00 O ATOM 1322 CB MET A 86 16.341 -0.810 1.046 1.00 0.00 C ATOM 1323 CG MET A 86 17.281 -1.183 2.186 1.00 0.00 C ATOM 1324 SD MET A 86 17.222 0.007 3.545 1.00 0.00 S ATOM 1325 CE MET A 86 18.490 -0.703 4.596 1.00 0.00 C ATOM 0 H MET A 86 18.063 -0.767 -0.563 1.00 0.00 H new ATOM 0 HA MET A 86 16.393 -2.847 0.317 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.623 0.167 0.653 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.326 -0.717 1.433 1.00 0.00 H new ATOM 0 HG2 MET A 86 17.018 -2.172 2.561 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.301 -1.247 1.806 1.00 0.00 H new ATOM 0 HE1 MET A 86 18.598 -0.097 5.496 1.00 0.00 H new ATOM 0 HE2 MET A 86 18.206 -1.718 4.874 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.438 -0.726 4.058 1.00 0.00 H new ATOM 1335 N ALA A 87 14.911 -0.628 -1.651 1.00 0.00 N ATOM 1336 CA ALA A 87 13.791 -0.472 -2.562 1.00 0.00 C ATOM 1337 C ALA A 87 13.809 -1.620 -3.576 1.00 0.00 C ATOM 1338 O ALA A 87 12.851 -2.375 -3.678 1.00 0.00 O ATOM 1339 CB ALA A 87 13.844 0.917 -3.208 1.00 0.00 C ATOM 0 H ALA A 87 15.532 0.180 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 87 12.840 -0.529 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.003 1.033 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.789 1.681 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.778 1.026 -3.760 1.00 0.00 H new ATOM 1345 N GLN A 88 14.923 -1.830 -4.283 1.00 0.00 N ATOM 1346 CA GLN A 88 15.018 -2.834 -5.337 1.00 0.00 C ATOM 1347 C GLN A 88 14.728 -4.254 -4.839 1.00 0.00 C ATOM 1348 O GLN A 88 14.170 -5.036 -5.607 1.00 0.00 O ATOM 1349 CB GLN A 88 16.377 -2.726 -6.049 1.00 0.00 C ATOM 1350 CG GLN A 88 16.445 -3.480 -7.388 1.00 0.00 C ATOM 1351 CD GLN A 88 15.363 -3.051 -8.383 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.517 -2.077 -9.123 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.245 -3.753 -8.414 1.00 0.00 N ATOM 0 H GLN A 88 15.785 -1.305 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 88 14.234 -2.625 -6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.601 -1.674 -6.225 1.00 0.00 H new ATOM 0 HB3 GLN A 88 17.153 -3.111 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.425 -3.320 -7.837 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.351 -4.549 -7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.130 -4.557 -7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.496 -3.492 -9.055 1.00 0.00 H new ATOM 1362 N GLN A 89 15.066 -4.584 -3.587 1.00 0.00 N ATOM 1363 CA GLN A 89 14.642 -5.806 -2.912 1.00 0.00 C ATOM 1364 C GLN A 89 13.110 -5.888 -2.912 1.00 0.00 C ATOM 1365 O GLN A 89 12.558 -6.863 -3.418 1.00 0.00 O ATOM 1366 CB GLN A 89 15.244 -5.859 -1.484 1.00 0.00 C ATOM 1367 CG GLN A 89 16.624 -6.530 -1.400 1.00 0.00 C ATOM 1368 CD GLN A 89 16.613 -8.062 -1.429 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.672 -8.728 -1.851 1.00 0.00 O ATOM 1370 NE2 GLN A 89 17.687 -8.688 -0.989 1.00 0.00 N ATOM 0 H GLN A 89 15.657 -3.991 -3.005 1.00 0.00 H new ATOM 0 HA GLN A 89 15.015 -6.680 -3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.324 -4.842 -1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.554 -6.394 -0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.234 -6.172 -2.229 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.112 -6.204 -0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.480 -8.153 -0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.725 -9.707 -1.003 1.00 0.00 H new ATOM 1379 N LEU A 90 12.420 -4.880 -2.371 1.00 0.00 N ATOM 1380 CA LEU A 90 10.961 -4.859 -2.245 1.00 0.00 C ATOM 1381 C LEU A 90 10.243 -4.895 -3.595 1.00 0.00 C ATOM 1382 O LEU A 90 9.213 -5.548 -3.733 1.00 0.00 O ATOM 1383 CB LEU A 90 10.523 -3.579 -1.517 1.00 0.00 C ATOM 1384 CG LEU A 90 11.017 -3.391 -0.070 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.496 -2.046 0.455 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.632 -4.514 0.911 1.00 0.00 C ATOM 0 H LEU A 90 12.868 -4.041 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 90 10.689 -5.755 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.860 -2.724 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.433 -3.550 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 90 12.106 -3.421 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.838 -1.898 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.874 -1.239 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.406 -2.044 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.028 -4.284 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.546 -4.594 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.049 -5.459 0.564 1.00 0.00 H new ATOM 1398 N ILE A 91 10.777 -4.186 -4.576 1.00 0.00 N ATOM 1399 CA ILE A 91 10.243 -4.059 -5.926 1.00 0.00 C ATOM 1400 C ILE A 91 10.258 -5.446 -6.566 1.00 0.00 C ATOM 1401 O ILE A 91 9.270 -5.906 -7.137 1.00 0.00 O ATOM 1402 CB ILE A 91 11.141 -3.004 -6.619 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.851 -1.633 -5.956 1.00 0.00 C ATOM 1404 CG2 ILE A 91 11.090 -2.953 -8.159 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.926 -0.586 -6.196 1.00 0.00 C ATOM 0 H ILE A 91 11.639 -3.656 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 91 9.209 -3.719 -5.991 1.00 0.00 H new ATOM 0 HB ILE A 91 12.175 -3.310 -6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.900 -1.254 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.735 -1.779 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.762 -2.174 -8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.399 -3.916 -8.565 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.073 -2.732 -8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.647 0.343 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.875 -0.941 -5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.028 -0.408 -7.267 1.00 0.00 H new ATOM 1417 N ASP A 92 11.372 -6.166 -6.423 1.00 0.00 N ATOM 1418 CA ASP A 92 11.493 -7.511 -6.966 1.00 0.00 C ATOM 1419 C ASP A 92 10.485 -8.454 -6.335 1.00 0.00 C ATOM 1420 O ASP A 92 9.911 -9.296 -7.021 1.00 0.00 O ATOM 1421 CB ASP A 92 12.901 -8.048 -6.734 1.00 0.00 C ATOM 1422 CG ASP A 92 13.456 -8.871 -7.900 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.881 -8.916 -9.018 1.00 0.00 O ATOM 1424 OD2 ASP A 92 14.491 -9.540 -7.682 1.00 0.00 O ATOM 0 H ASP A 92 12.203 -5.835 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 92 11.293 -7.455 -8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.571 -7.210 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.899 -8.665 -5.836 1.00 0.00 H new ATOM 1429 N ILE A 93 10.291 -8.312 -5.025 1.00 0.00 N ATOM 1430 CA ILE A 93 9.281 -9.028 -4.264 1.00 0.00 C ATOM 1431 C ILE A 93 7.861 -8.751 -4.769 1.00 0.00 C ATOM 1432 O ILE A 93 7.114 -9.722 -4.874 1.00 0.00 O ATOM 1433 CB ILE A 93 9.454 -8.719 -2.760 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.783 -9.348 -2.288 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.260 -9.245 -1.959 1.00 0.00 C ATOM 1436 CD1 ILE A 93 11.174 -9.010 -0.844 1.00 0.00 C ATOM 0 H ILE A 93 10.849 -7.678 -4.453 1.00 0.00 H new ATOM 0 HA ILE A 93 9.428 -10.098 -4.411 1.00 0.00 H new ATOM 0 HB ILE A 93 9.489 -7.642 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.712 -10.431 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.582 -9.019 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.402 -9.017 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.346 -8.769 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.181 -10.324 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.120 -9.494 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.282 -7.930 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.399 -9.365 -0.165 1.00 0.00 H new ATOM 1448 N VAL A 94 7.452 -7.514 -5.078 1.00 0.00 N ATOM 1449 CA VAL A 94 6.107 -7.266 -5.633 1.00 0.00 C ATOM 1450 C VAL A 94 5.933 -8.128 -6.868 1.00 0.00 C ATOM 1451 O VAL A 94 4.969 -8.889 -6.977 1.00 0.00 O ATOM 1452 CB VAL A 94 5.868 -5.766 -5.938 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.588 -5.440 -6.751 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.739 -5.073 -4.589 1.00 0.00 C ATOM 0 H VAL A 94 8.021 -6.676 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 94 5.356 -7.537 -4.890 1.00 0.00 H new ATOM 0 HB VAL A 94 6.702 -5.432 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.520 -4.363 -6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.632 -5.944 -7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.711 -5.783 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.568 -4.007 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.900 -5.500 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.656 -5.215 -4.018 1.00 0.00 H new ATOM 1464 N HIS A 95 6.917 -8.077 -7.755 1.00 0.00 N ATOM 1465 CA HIS A 95 6.880 -8.774 -9.016 1.00 0.00 C ATOM 1466 C HIS A 95 7.010 -10.281 -8.775 1.00 0.00 C ATOM 1467 O HIS A 95 6.484 -11.076 -9.549 1.00 0.00 O ATOM 1468 CB HIS A 95 7.975 -8.161 -9.899 1.00 0.00 C ATOM 1469 CG HIS A 95 7.824 -6.658 -10.071 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.860 -5.750 -10.148 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.655 -5.938 -9.999 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.312 -4.518 -10.126 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.971 -4.583 -10.103 1.00 0.00 N ATOM 0 H HIS A 95 7.772 -7.540 -7.609 1.00 0.00 H new ATOM 0 HA HIS A 95 5.932 -8.658 -9.541 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.950 -8.375 -9.461 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.954 -8.638 -10.879 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.664 -6.350 -9.882 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.878 -3.598 -10.127 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.317 -3.802 -10.152 1.00 0.00 H new ATOM 1481 N GLY A 96 7.626 -10.709 -7.677 1.00 0.00 N ATOM 1482 CA GLY A 96 7.673 -12.105 -7.271 1.00 0.00 C ATOM 1483 C GLY A 96 6.327 -12.615 -6.760 1.00 0.00 C ATOM 1484 O GLY A 96 5.909 -13.734 -7.080 1.00 0.00 O ATOM 0 H GLY A 96 8.114 -10.083 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.991 -12.715 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.424 -12.227 -6.490 1.00 0.00 H new ATOM 1488 N CYS A 97 5.601 -11.748 -6.066 1.00 0.00 N ATOM 1489 CA CYS A 97 4.372 -12.061 -5.357 1.00 0.00 C ATOM 1490 C CYS A 97 3.182 -12.021 -6.304 1.00 0.00 C ATOM 1491 O CYS A 97 2.223 -12.775 -6.115 1.00 0.00 O ATOM 1492 CB CYS A 97 4.165 -11.084 -4.196 1.00 0.00 C ATOM 1493 SG CYS A 97 5.064 -11.522 -2.684 1.00 0.00 S ATOM 0 H CYS A 97 5.866 -10.767 -5.980 1.00 0.00 H new ATOM 0 HA CYS A 97 4.454 -13.070 -4.953 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.476 -10.089 -4.514 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.100 -11.028 -3.969 1.00 0.00 H new ATOM 1498 N GLU A 98 3.248 -11.189 -7.343 1.00 0.00 N ATOM 1499 CA GLU A 98 2.241 -11.131 -8.389 1.00 0.00 C ATOM 1500 C GLU A 98 2.050 -12.501 -9.056 1.00 0.00 C ATOM 1501 O GLU A 98 0.941 -12.820 -9.497 1.00 0.00 O ATOM 1502 CB GLU A 98 2.657 -10.154 -9.484 1.00 0.00 C ATOM 1503 CG GLU A 98 2.354 -8.689 -9.174 1.00 0.00 C ATOM 1504 CD GLU A 98 2.416 -7.885 -10.475 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.594 -8.175 -11.366 1.00 0.00 O ATOM 1506 OE2 GLU A 98 3.279 -6.998 -10.649 1.00 0.00 O ATOM 0 H GLU A 98 4.014 -10.530 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 98 1.315 -10.810 -7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.727 -10.261 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.151 -10.429 -10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.368 -8.596 -8.720 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.074 -8.299 -8.455 1.00 0.00 H new ATOM 1513 N LYS A 99 3.137 -13.280 -9.181 1.00 0.00 N ATOM 1514 CA LYS A 99 3.170 -14.565 -9.877 1.00 0.00 C ATOM 1515 C LYS A 99 3.097 -15.768 -8.946 1.00 0.00 C ATOM 1516 O LYS A 99 2.633 -16.822 -9.401 1.00 0.00 O ATOM 1517 CB LYS A 99 4.448 -14.666 -10.724 1.00 0.00 C ATOM 1518 CG LYS A 99 4.350 -13.862 -12.036 1.00 0.00 C ATOM 1519 CD LYS A 99 5.311 -12.679 -12.115 1.00 0.00 C ATOM 1520 CE LYS A 99 6.778 -13.125 -12.185 1.00 0.00 C ATOM 1521 NZ LYS A 99 7.687 -12.020 -11.829 1.00 0.00 N ATOM 0 H LYS A 99 4.041 -13.020 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 99 2.279 -14.592 -10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.296 -14.304 -10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.645 -15.713 -10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.544 -14.531 -12.875 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.330 -13.496 -12.150 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.074 -12.079 -12.993 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.169 -12.039 -11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.939 -13.964 -11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.006 -13.478 -13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.602 -12.408 -11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.831 -11.408 -12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.270 -11.463 -11.056 1.00 0.00 H new ATOM 1535 N SER A 100 3.552 -15.676 -7.693 1.00 0.00 N ATOM 1536 CA SER A 100 3.287 -16.744 -6.735 1.00 0.00 C ATOM 1537 C SER A 100 1.788 -16.793 -6.421 1.00 0.00 C ATOM 1538 O SER A 100 1.229 -17.868 -6.190 1.00 0.00 O ATOM 1539 CB SER A 100 4.146 -16.550 -5.485 1.00 0.00 C ATOM 1540 OG SER A 100 3.759 -15.394 -4.777 1.00 0.00 O ATOM 0 H SER A 100 4.092 -14.892 -7.328 1.00 0.00 H new ATOM 0 HA SER A 100 3.561 -17.709 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.056 -17.423 -4.839 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.195 -16.472 -5.770 1.00 0.00 H new ATOM 0 HG SER A 100 4.425 -15.195 -4.087 1.00 0.00 H new ATOM 1546 N THR A 101 1.132 -15.633 -6.447 1.00 0.00 N ATOM 1547 CA THR A 101 -0.311 -15.508 -6.357 1.00 0.00 C ATOM 1548 C THR A 101 -0.875 -15.857 -7.743 1.00 0.00 C ATOM 1549 O THR A 101 -0.435 -15.262 -8.730 1.00 0.00 O ATOM 1550 CB THR A 101 -0.660 -14.080 -5.908 1.00 0.00 C ATOM 1551 OG1 THR A 101 0.109 -13.742 -4.762 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.133 -13.929 -5.533 1.00 0.00 C ATOM 0 H THR A 101 1.608 -14.735 -6.534 1.00 0.00 H new ATOM 0 HA THR A 101 -0.749 -16.182 -5.621 1.00 0.00 H new ATOM 0 HB THR A 101 -0.443 -13.423 -6.750 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.994 -13.430 -5.043 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.326 -12.902 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.755 -14.171 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.371 -14.606 -4.713 1.00 0.00 H new ATOM 1560 N PRO A 102 -1.795 -16.828 -7.875 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.378 -17.166 -9.165 1.00 0.00 C ATOM 1562 C PRO A 102 -3.278 -16.021 -9.626 1.00 0.00 C ATOM 1563 O PRO A 102 -3.901 -15.348 -8.801 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.146 -18.469 -8.941 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.537 -18.400 -7.466 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.405 -17.609 -6.814 1.00 0.00 C ATOM 0 HA PRO A 102 -1.635 -17.305 -9.951 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.022 -18.535 -9.586 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.528 -19.341 -9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.498 -17.904 -7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.629 -19.395 -7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.787 -16.962 -6.024 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.677 -18.278 -6.355 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.342 -15.795 -10.938 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.105 -14.715 -11.539 1.00 0.00 C ATOM 1576 C ALA A 103 -5.600 -15.020 -11.405 1.00 0.00 C ATOM 1577 O ALA A 103 -6.194 -15.689 -12.253 1.00 0.00 O ATOM 1578 CB ALA A 103 -3.667 -14.526 -12.991 1.00 0.00 C ATOM 0 H ALA A 103 -2.853 -16.373 -11.622 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.916 -13.774 -11.023 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.240 -13.715 -13.441 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.605 -14.281 -13.022 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.843 -15.447 -13.547 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.179 -14.555 -10.303 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.588 -14.661 -9.956 1.00 0.00 C ATOM 1586 C ASN A 104 -8.448 -13.922 -10.975 1.00 0.00 C ATOM 1587 O ASN A 104 -7.978 -12.985 -11.619 1.00 0.00 O ATOM 1588 CB ASN A 104 -7.758 -14.045 -8.563 1.00 0.00 C ATOM 1589 CG ASN A 104 -9.040 -14.459 -7.887 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -9.341 -15.640 -7.719 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -9.807 -13.497 -7.444 1.00 0.00 N ATOM 0 H ASN A 104 -5.643 -14.065 -9.587 1.00 0.00 H new ATOM 0 HA ASN A 104 -7.907 -15.703 -9.958 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.914 -14.336 -7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.733 -12.959 -8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.671 -13.720 -6.950 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -9.541 -12.523 -7.593 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.724 -14.281 -11.094 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.697 -13.508 -11.855 1.00 0.00 C ATOM 1600 C ASP A 105 -10.881 -12.108 -11.276 1.00 0.00 C ATOM 1601 O ASP A 105 -11.132 -11.157 -12.013 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.049 -14.218 -11.852 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.108 -13.406 -12.583 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -13.141 -13.475 -13.831 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.001 -12.825 -11.925 1.00 0.00 O ATOM 0 H ASP A 105 -10.112 -15.120 -10.663 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.316 -13.420 -12.873 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.949 -15.195 -12.324 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.368 -14.392 -10.824 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.743 -11.980 -9.955 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.102 -10.763 -9.228 1.00 0.00 C ATOM 1612 C ASP A 106 -9.808 -10.067 -8.822 1.00 0.00 C ATOM 1613 O ASP A 106 -9.032 -10.649 -8.051 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.939 -11.115 -7.997 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.577 -9.907 -7.333 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -11.807 -9.173 -6.684 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.828 -9.783 -7.412 1.00 0.00 O ATOM 0 H ASP A 106 -10.377 -12.722 -9.358 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.700 -10.101 -9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.722 -11.816 -8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.307 -11.627 -7.272 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.531 -8.886 -9.389 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.260 -8.189 -9.201 1.00 0.00 C ATOM 1624 C LYS A 107 -8.086 -7.774 -7.753 1.00 0.00 C ATOM 1625 O LYS A 107 -6.975 -7.813 -7.235 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.181 -6.938 -10.087 1.00 0.00 C ATOM 1627 CG LYS A 107 -6.755 -6.673 -10.600 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.471 -7.352 -11.951 1.00 0.00 C ATOM 1629 CE LYS A 107 -5.893 -6.382 -12.992 1.00 0.00 C ATOM 1630 NZ LYS A 107 -4.511 -5.963 -12.688 1.00 0.00 N ATOM 0 H LYS A 107 -10.186 -8.389 -9.992 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.466 -8.880 -9.482 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.854 -7.054 -10.936 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.528 -6.073 -9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.604 -5.598 -10.700 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.036 -7.029 -9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.772 -8.175 -11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.394 -7.785 -12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.915 -6.856 -13.973 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.530 -5.499 -13.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.176 -5.310 -13.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.488 -5.484 -11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.893 -6.799 -12.660 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.166 -7.363 -7.096 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.190 -7.022 -5.680 1.00 0.00 C ATOM 1646 C CYS A 108 -8.700 -8.196 -4.849 1.00 0.00 C ATOM 1647 O CYS A 108 -7.720 -8.087 -4.112 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.614 -6.597 -5.319 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.240 -6.850 -3.654 1.00 0.00 S ATOM 0 H CYS A 108 -10.074 -7.255 -7.548 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.516 -6.193 -5.465 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -10.698 -5.532 -5.537 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.288 -7.116 -6.000 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.376 -9.328 -4.974 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.987 -10.567 -4.306 1.00 0.00 C ATOM 1656 C ILE A 109 -7.548 -10.983 -4.677 1.00 0.00 C ATOM 1657 O ILE A 109 -6.806 -11.375 -3.776 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.083 -11.640 -4.536 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.397 -11.227 -3.821 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.603 -13.012 -4.035 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.506 -12.273 -3.895 1.00 0.00 C ATOM 0 H ILE A 109 -10.216 -9.416 -5.545 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.935 -10.423 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.280 -11.715 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.178 -11.020 -2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.760 -10.298 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.383 -13.754 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.703 -13.303 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.382 -12.953 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.388 -11.905 -3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.757 -12.464 -4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.166 -13.198 -3.428 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.112 -10.852 -5.935 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.710 -11.085 -6.300 1.00 0.00 C ATOM 1675 C TRP A 110 -4.789 -10.157 -5.503 1.00 0.00 C ATOM 1676 O TRP A 110 -3.829 -10.619 -4.893 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.510 -10.908 -7.813 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.098 -10.961 -8.319 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.365 -12.077 -8.525 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.240 -9.852 -8.716 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.115 -11.740 -9.016 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -1.995 -10.375 -9.185 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.399 -8.451 -8.723 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -0.967 -9.544 -9.663 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.383 -7.609 -9.201 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.176 -8.151 -9.673 1.00 0.00 C ATOM 0 H TRP A 110 -7.710 -10.586 -6.717 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.449 -12.113 -6.048 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.084 -11.681 -8.324 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -5.939 -9.949 -8.103 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.704 -13.084 -8.335 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.378 -12.413 -9.226 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.318 -8.019 -8.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.037 -9.965 -10.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.530 -6.539 -9.206 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.403 -7.495 -10.046 1.00 0.00 H new ATOM 1697 N THR A 111 -5.093 -8.863 -5.460 1.00 0.00 N ATOM 1698 CA THR A 111 -4.303 -7.837 -4.795 1.00 0.00 C ATOM 1699 C THR A 111 -4.182 -8.115 -3.288 1.00 0.00 C ATOM 1700 O THR A 111 -3.120 -7.860 -2.715 1.00 0.00 O ATOM 1701 CB THR A 111 -4.934 -6.465 -5.103 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.937 -6.237 -6.493 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.191 -5.300 -4.453 1.00 0.00 C ATOM 0 H THR A 111 -5.930 -8.488 -5.906 1.00 0.00 H new ATOM 0 HA THR A 111 -3.281 -7.842 -5.174 1.00 0.00 H new ATOM 0 HB THR A 111 -5.944 -6.504 -4.695 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.771 -6.577 -6.879 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.687 -4.364 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.192 -5.426 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.163 -5.277 -4.814 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.228 -8.660 -2.646 1.00 0.00 N ATOM 1712 CA LEU A 112 -5.214 -9.136 -1.267 1.00 0.00 C ATOM 1713 C LEU A 112 -4.184 -10.253 -1.142 1.00 0.00 C ATOM 1714 O LEU A 112 -3.330 -10.193 -0.254 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.646 -9.556 -0.890 1.00 0.00 C ATOM 1716 CG LEU A 112 -6.892 -10.117 0.514 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -6.551 -11.596 0.618 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -6.209 -9.343 1.634 1.00 0.00 C ATOM 0 H LEU A 112 -6.136 -8.782 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.913 -8.361 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.292 -8.688 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.973 -10.306 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.965 -9.991 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.743 -11.943 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.167 -12.161 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.498 -11.744 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.438 -9.811 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.131 -9.349 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.569 -8.314 1.637 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.235 -11.238 -2.041 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.198 -12.258 -2.185 1.00 0.00 C ATOM 1732 C GLY A 113 -1.788 -11.652 -2.248 1.00 0.00 C ATOM 1733 O GLY A 113 -0.972 -11.900 -1.359 1.00 0.00 O ATOM 0 H GLY A 113 -5.008 -11.350 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.255 -12.952 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.383 -12.836 -3.090 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.505 -10.834 -3.266 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.193 -10.231 -3.531 1.00 0.00 C ATOM 1739 C VAL A 114 0.323 -9.478 -2.292 1.00 0.00 C ATOM 1740 O VAL A 114 1.459 -9.698 -1.874 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.273 -9.340 -4.791 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.047 -8.618 -5.097 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.618 -10.180 -6.029 1.00 0.00 C ATOM 0 H VAL A 114 -2.208 -10.563 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 114 0.537 -11.015 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.047 -8.603 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.929 -8.008 -5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.316 -7.979 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.835 -9.354 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.669 -9.533 -6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.152 -10.937 -6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.582 -10.667 -5.881 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.497 -8.633 -1.657 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.081 -7.867 -0.485 1.00 0.00 C ATOM 1755 C ALA A 115 0.222 -8.781 0.702 1.00 0.00 C ATOM 1756 O ALA A 115 1.183 -8.555 1.441 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.166 -6.855 -0.109 1.00 0.00 C ATOM 0 H ALA A 115 -1.462 -8.464 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 115 0.836 -7.335 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.847 -6.288 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.332 -6.173 -0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -2.093 -7.382 0.118 1.00 0.00 H new ATOM 1763 N THR A 116 -0.591 -9.821 0.897 1.00 0.00 N ATOM 1764 CA THR A 116 -0.363 -10.791 1.956 1.00 0.00 C ATOM 1765 C THR A 116 0.967 -11.523 1.718 1.00 0.00 C ATOM 1766 O THR A 116 1.713 -11.738 2.681 1.00 0.00 O ATOM 1767 CB THR A 116 -1.577 -11.738 2.058 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.780 -10.994 2.211 1.00 0.00 O ATOM 1769 CG2 THR A 116 -1.481 -12.688 3.250 1.00 0.00 C ATOM 0 H THR A 116 -1.417 -10.009 0.328 1.00 0.00 H new ATOM 0 HA THR A 116 -0.271 -10.292 2.921 1.00 0.00 H new ATOM 0 HB THR A 116 -1.582 -12.316 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.937 -10.457 1.406 1.00 0.00 H new ATOM 0 HG21 THR A 116 -2.360 -13.332 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.585 -13.301 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.429 -12.110 4.173 1.00 0.00 H new ATOM 1777 N CYS A 117 1.291 -11.846 0.462 1.00 0.00 N ATOM 1778 CA CYS A 117 2.593 -12.367 0.078 1.00 0.00 C ATOM 1779 C CYS A 117 3.689 -11.364 0.450 1.00 0.00 C ATOM 1780 O CYS A 117 4.563 -11.731 1.236 1.00 0.00 O ATOM 1781 CB CYS A 117 2.594 -12.773 -1.403 1.00 0.00 C ATOM 1782 SG CYS A 117 4.194 -13.275 -2.094 1.00 0.00 S ATOM 0 H CYS A 117 0.644 -11.749 -0.321 1.00 0.00 H new ATOM 0 HA CYS A 117 2.811 -13.278 0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 117 1.891 -13.596 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.216 -11.935 -1.988 1.00 0.00 H new ATOM 1787 N PHE A 118 3.640 -10.108 -0.031 1.00 0.00 N ATOM 1788 CA PHE A 118 4.743 -9.162 0.131 1.00 0.00 C ATOM 1789 C PHE A 118 5.185 -9.098 1.605 1.00 0.00 C ATOM 1790 O PHE A 118 6.327 -9.384 1.958 1.00 0.00 O ATOM 1791 CB PHE A 118 4.335 -7.789 -0.454 1.00 0.00 C ATOM 1792 CG PHE A 118 5.392 -6.688 -0.448 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.691 -6.934 0.009 1.00 0.00 C ATOM 1794 CD2 PHE A 118 5.097 -5.398 -0.918 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.649 -5.916 0.058 1.00 0.00 C ATOM 1796 CE2 PHE A 118 6.027 -4.347 -0.801 1.00 0.00 C ATOM 1797 CZ PHE A 118 7.290 -4.605 -0.274 1.00 0.00 C ATOM 0 H PHE A 118 2.839 -9.730 -0.537 1.00 0.00 H new ATOM 0 HA PHE A 118 5.616 -9.499 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 118 4.013 -7.943 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.469 -7.429 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.960 -7.930 0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.138 -5.208 -1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.664 -6.141 0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.763 -3.349 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.990 -3.796 -0.122 1.00 0.00 H new ATOM 1807 N LYS A 119 4.267 -8.796 2.506 1.00 0.00 N ATOM 1808 CA LYS A 119 4.505 -8.684 3.941 1.00 0.00 C ATOM 1809 C LYS A 119 5.295 -9.856 4.519 1.00 0.00 C ATOM 1810 O LYS A 119 6.201 -9.666 5.337 1.00 0.00 O ATOM 1811 CB LYS A 119 3.149 -8.631 4.635 1.00 0.00 C ATOM 1812 CG LYS A 119 3.220 -7.706 5.859 1.00 0.00 C ATOM 1813 CD LYS A 119 2.274 -8.104 6.989 1.00 0.00 C ATOM 1814 CE LYS A 119 2.848 -9.255 7.826 1.00 0.00 C ATOM 1815 NZ LYS A 119 3.876 -8.783 8.779 1.00 0.00 N ATOM 0 H LYS A 119 3.296 -8.614 2.252 1.00 0.00 H new ATOM 0 HA LYS A 119 5.099 -7.786 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.390 -8.271 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.850 -9.633 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.242 -7.699 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.989 -6.687 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.090 -7.243 7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.312 -8.401 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.042 -9.743 8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.283 -10.004 7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.570 -9.540 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.359 -7.950 8.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.423 -8.527 9.679 1.00 0.00 H new ATOM 1829 N ALA A 120 4.885 -11.066 4.140 1.00 0.00 N ATOM 1830 CA ALA A 120 5.533 -12.298 4.569 1.00 0.00 C ATOM 1831 C ALA A 120 6.982 -12.337 4.088 1.00 0.00 C ATOM 1832 O ALA A 120 7.848 -12.756 4.853 1.00 0.00 O ATOM 1833 CB ALA A 120 4.774 -13.527 4.064 1.00 0.00 C ATOM 0 H ALA A 120 4.088 -11.216 3.522 1.00 0.00 H new ATOM 0 HA ALA A 120 5.524 -12.318 5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.281 -14.431 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 120 3.757 -13.514 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.742 -13.512 2.975 1.00 0.00 H new ATOM 1839 N GLU A 121 7.255 -11.883 2.863 1.00 0.00 N ATOM 1840 CA GLU A 121 8.599 -11.788 2.307 1.00 0.00 C ATOM 1841 C GLU A 121 9.437 -10.773 3.084 1.00 0.00 C ATOM 1842 O GLU A 121 10.597 -11.038 3.393 1.00 0.00 O ATOM 1843 CB GLU A 121 8.567 -11.416 0.818 1.00 0.00 C ATOM 1844 CG GLU A 121 7.776 -12.399 -0.069 1.00 0.00 C ATOM 1845 CD GLU A 121 8.447 -13.754 -0.301 1.00 0.00 C ATOM 1846 OE1 GLU A 121 9.604 -13.953 0.130 1.00 0.00 O ATOM 1847 OE2 GLU A 121 7.805 -14.646 -0.904 1.00 0.00 O ATOM 0 H GLU A 121 6.530 -11.565 2.219 1.00 0.00 H new ATOM 0 HA GLU A 121 9.060 -12.771 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.132 -10.422 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.591 -11.356 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.800 -12.568 0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.600 -11.929 -1.036 1.00 0.00 H new ATOM 1854 N ILE A 122 8.865 -9.626 3.473 1.00 0.00 N ATOM 1855 CA ILE A 122 9.569 -8.668 4.329 1.00 0.00 C ATOM 1856 C ILE A 122 9.973 -9.360 5.638 1.00 0.00 C ATOM 1857 O ILE A 122 11.075 -9.136 6.141 1.00 0.00 O ATOM 1858 CB ILE A 122 8.754 -7.374 4.574 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.257 -6.729 3.266 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.583 -6.353 5.376 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.287 -5.563 3.502 1.00 0.00 C ATOM 0 H ILE A 122 7.922 -9.342 3.209 1.00 0.00 H new ATOM 0 HA ILE A 122 10.471 -8.341 3.811 1.00 0.00 H new ATOM 0 HB ILE A 122 7.876 -7.665 5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.114 -6.371 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.763 -7.487 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.992 -5.451 5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 122 9.858 -6.784 6.339 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.486 -6.101 4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.973 -5.151 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.413 -5.921 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.785 -4.788 4.084 1.00 0.00 H new ATOM 1873 N HIS A 123 9.129 -10.252 6.171 1.00 0.00 N ATOM 1874 CA HIS A 123 9.437 -11.004 7.385 1.00 0.00 C ATOM 1875 C HIS A 123 10.590 -11.998 7.202 1.00 0.00 C ATOM 1876 O HIS A 123 11.127 -12.497 8.190 1.00 0.00 O ATOM 1877 CB HIS A 123 8.180 -11.697 7.918 1.00 0.00 C ATOM 1878 CG HIS A 123 8.155 -11.903 9.419 1.00 0.00 C ATOM 1879 ND1 HIS A 123 7.542 -12.940 10.090 1.00 0.00 N ATOM 1880 CD2 HIS A 123 8.715 -11.089 10.367 1.00 0.00 C ATOM 1881 CE1 HIS A 123 7.723 -12.743 11.408 1.00 0.00 C ATOM 1882 NE2 HIS A 123 8.447 -11.631 11.624 1.00 0.00 N ATOM 0 H HIS A 123 8.216 -10.470 5.771 1.00 0.00 H new ATOM 0 HA HIS A 123 9.781 -10.283 8.126 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.309 -11.108 7.632 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.083 -12.667 7.431 1.00 0.00 H new ATOM 0 HD2 HIS A 123 9.269 -10.182 10.174 1.00 0.00 H new ATOM 0 HE1 HIS A 123 7.340 -13.388 12.185 1.00 0.00 H new ATOM 0 HE2 HIS A 123 8.741 -11.258 12.527 1.00 0.00 H new ATOM 1890 N LYS A 124 10.998 -12.277 5.964 1.00 0.00 N ATOM 1891 CA LYS A 124 12.178 -13.086 5.658 1.00 0.00 C ATOM 1892 C LYS A 124 13.428 -12.221 5.497 1.00 0.00 C ATOM 1893 O LYS A 124 14.511 -12.726 5.798 1.00 0.00 O ATOM 1894 CB LYS A 124 11.967 -13.892 4.370 1.00 0.00 C ATOM 1895 CG LYS A 124 10.730 -14.809 4.415 1.00 0.00 C ATOM 1896 CD LYS A 124 10.268 -15.128 2.994 1.00 0.00 C ATOM 1897 CE LYS A 124 11.052 -16.269 2.369 1.00 0.00 C ATOM 1898 NZ LYS A 124 10.964 -16.233 0.903 1.00 0.00 N ATOM 0 H LYS A 124 10.511 -11.942 5.133 1.00 0.00 H new ATOM 0 HA LYS A 124 12.322 -13.764 6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.868 -13.203 3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 124 12.853 -14.499 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 124 10.969 -15.731 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.926 -14.323 4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.209 -15.385 3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.371 -14.238 2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.096 -16.207 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.669 -17.221 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.711 -17.177 0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.236 -15.548 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.883 -15.948 0.507 1.00 0.00 H new ATOM 1912 N LEU A 125 13.306 -10.960 5.047 1.00 0.00 N ATOM 1913 CA LEU A 125 14.446 -10.048 4.883 1.00 0.00 C ATOM 1914 C LEU A 125 15.168 -9.857 6.214 1.00 0.00 C ATOM 1915 O LEU A 125 14.608 -10.056 7.297 1.00 0.00 O ATOM 1916 CB LEU A 125 14.046 -8.646 4.365 1.00 0.00 C ATOM 1917 CG LEU A 125 13.666 -8.546 2.874 1.00 0.00 C ATOM 1918 CD1 LEU A 125 12.937 -7.227 2.592 1.00 0.00 C ATOM 1919 CD2 LEU A 125 14.938 -8.599 2.015 1.00 0.00 C ATOM 0 H LEU A 125 12.411 -10.546 4.787 1.00 0.00 H new ATOM 0 HA LEU A 125 15.089 -10.518 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.202 -8.292 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.875 -7.964 4.552 1.00 0.00 H new ATOM 0 HG LEU A 125 13.009 -9.380 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.677 -7.174 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.029 -7.178 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.587 -6.390 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.669 -8.528 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.591 -7.767 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.459 -9.540 2.194 1.00 0.00 H new ATOM 1931 N ASN A 126 16.421 -9.420 6.122 1.00 0.00 N ATOM 1932 CA ASN A 126 17.256 -9.082 7.271 1.00 0.00 C ATOM 1933 C ASN A 126 16.914 -7.718 7.858 1.00 0.00 C ATOM 1934 O ASN A 126 17.171 -7.442 9.028 1.00 0.00 O ATOM 1935 CB ASN A 126 18.729 -9.080 6.844 1.00 0.00 C ATOM 1936 CG ASN A 126 19.629 -8.750 8.019 1.00 0.00 C ATOM 1937 OD1 ASN A 126 19.960 -9.606 8.830 1.00 0.00 O ATOM 1938 ND2 ASN A 126 20.082 -7.518 8.110 1.00 0.00 N ATOM 0 H ASN A 126 16.894 -9.288 5.228 1.00 0.00 H new ATOM 0 HA ASN A 126 17.071 -9.833 8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.996 -10.056 6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 126 18.881 -8.351 6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 126 20.719 -7.263 8.865 1.00 0.00 H new ATOM 0 HD22 ASN A 126 19.796 -6.818 7.426 1.00 0.00 H new ATOM 1945 N TRP A 127 16.356 -6.849 7.028 1.00 0.00 N ATOM 1946 CA TRP A 127 16.071 -5.456 7.350 1.00 0.00 C ATOM 1947 C TRP A 127 14.564 -5.234 7.414 1.00 0.00 C ATOM 1948 O TRP A 127 13.793 -6.177 7.219 1.00 0.00 O ATOM 1949 CB TRP A 127 16.787 -4.531 6.362 1.00 0.00 C ATOM 1950 CG TRP A 127 16.336 -4.625 4.941 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.611 -5.624 4.069 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.462 -3.698 4.233 1.00 0.00 C ATOM 1953 NE1 TRP A 127 15.995 -5.357 2.865 1.00 0.00 N ATOM 1954 CE2 TRP A 127 15.211 -4.228 2.936 1.00 0.00 C ATOM 1955 CE3 TRP A 127 14.842 -2.473 4.562 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.332 -3.618 2.037 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 14.003 -1.819 3.640 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.731 -2.401 2.389 1.00 0.00 C ATOM 0 H TRP A 127 16.079 -7.102 6.079 1.00 0.00 H new ATOM 0 HA TRP A 127 16.461 -5.209 8.338 1.00 0.00 H new ATOM 0 HB2 TRP A 127 16.658 -3.502 6.697 1.00 0.00 H new ATOM 0 HB3 TRP A 127 17.855 -4.747 6.400 1.00 0.00 H new ATOM 0 HD1 TRP A 127 17.217 -6.492 4.283 1.00 0.00 H new ATOM 0 HE1 TRP A 127 16.106 -5.926 2.026 1.00 0.00 H new ATOM 0 HE3 TRP A 127 15.013 -2.032 5.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.118 -4.078 1.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.566 -0.865 3.895 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.059 -1.911 1.700 1.00 0.00 H new ATOM 1969 N ALA A 128 14.149 -4.025 7.780 1.00 0.00 N ATOM 1970 CA ALA A 128 12.759 -3.697 8.079 1.00 0.00 C ATOM 1971 C ALA A 128 12.420 -2.295 7.549 1.00 0.00 C ATOM 1972 O ALA A 128 12.753 -1.317 8.223 1.00 0.00 O ATOM 1973 CB ALA A 128 12.517 -3.813 9.586 1.00 0.00 C ATOM 0 H ALA A 128 14.781 -3.231 7.879 1.00 0.00 H new ATOM 0 HA ALA A 128 12.097 -4.403 7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 128 11.478 -3.568 9.808 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.726 -4.832 9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 128 13.174 -3.122 10.114 1.00 0.00 H new ATOM 1979 N PRO A 129 11.787 -2.180 6.365 1.00 0.00 N ATOM 1980 CA PRO A 129 11.321 -0.909 5.822 1.00 0.00 C ATOM 1981 C PRO A 129 10.399 -0.178 6.801 1.00 0.00 C ATOM 1982 O PRO A 129 9.726 -0.798 7.635 1.00 0.00 O ATOM 1983 CB PRO A 129 10.565 -1.235 4.524 1.00 0.00 C ATOM 1984 CG PRO A 129 10.743 -2.731 4.273 1.00 0.00 C ATOM 1985 CD PRO A 129 11.424 -3.297 5.510 1.00 0.00 C ATOM 0 HA PRO A 129 12.167 -0.247 5.639 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.509 -0.982 4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.959 -0.654 3.691 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.780 -3.214 4.105 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.347 -2.906 3.383 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.756 -3.980 6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 129 12.309 -3.869 5.231 1.00 0.00 H new ATOM 1993 N SER A 130 10.277 1.137 6.643 1.00 0.00 N ATOM 1994 CA SER A 130 9.145 1.873 7.185 1.00 0.00 C ATOM 1995 C SER A 130 7.873 1.331 6.532 1.00 0.00 C ATOM 1996 O SER A 130 7.890 0.988 5.346 1.00 0.00 O ATOM 1997 CB SER A 130 9.287 3.380 6.911 1.00 0.00 C ATOM 1998 OG SER A 130 10.637 3.751 6.707 1.00 0.00 O ATOM 0 H SER A 130 10.952 1.714 6.142 1.00 0.00 H new ATOM 0 HA SER A 130 9.102 1.741 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.700 3.647 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.878 3.942 7.750 1.00 0.00 H new ATOM 0 HG SER A 130 10.737 4.715 6.851 1.00 0.00 H new ATOM 2004 N MET A 131 6.759 1.313 7.264 1.00 0.00 N ATOM 2005 CA MET A 131 5.464 1.019 6.658 1.00 0.00 C ATOM 2006 C MET A 131 5.169 2.016 5.542 1.00 0.00 C ATOM 2007 O MET A 131 4.735 1.601 4.469 1.00 0.00 O ATOM 2008 CB MET A 131 4.369 0.997 7.729 1.00 0.00 C ATOM 2009 CG MET A 131 4.219 -0.426 8.264 1.00 0.00 C ATOM 2010 SD MET A 131 3.192 -1.487 7.211 1.00 0.00 S ATOM 2011 CE MET A 131 3.261 -3.001 8.196 1.00 0.00 C ATOM 0 H MET A 131 6.728 1.497 8.267 1.00 0.00 H new ATOM 0 HA MET A 131 5.489 0.027 6.207 1.00 0.00 H new ATOM 0 HB2 MET A 131 4.624 1.679 8.541 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.425 1.342 7.308 1.00 0.00 H new ATOM 0 HG2 MET A 131 5.207 -0.874 8.365 1.00 0.00 H new ATOM 0 HG3 MET A 131 3.783 -0.387 9.262 1.00 0.00 H new ATOM 0 HE1 MET A 131 2.725 -3.797 7.678 1.00 0.00 H new ATOM 0 HE2 MET A 131 4.301 -3.296 8.337 1.00 0.00 H new ATOM 0 HE3 MET A 131 2.799 -2.824 9.167 1.00 0.00 H new ATOM 2021 N ASP A 132 5.512 3.295 5.739 1.00 0.00 N ATOM 2022 CA ASP A 132 5.392 4.331 4.722 1.00 0.00 C ATOM 2023 C ASP A 132 6.028 3.870 3.411 1.00 0.00 C ATOM 2024 O ASP A 132 5.402 4.019 2.365 1.00 0.00 O ATOM 2025 CB ASP A 132 6.024 5.651 5.175 1.00 0.00 C ATOM 2026 CG ASP A 132 5.275 6.294 6.343 1.00 0.00 C ATOM 2027 OD1 ASP A 132 5.276 5.686 7.441 1.00 0.00 O ATOM 2028 OD2 ASP A 132 4.773 7.429 6.194 1.00 0.00 O ATOM 0 H ASP A 132 5.885 3.638 6.624 1.00 0.00 H new ATOM 0 HA ASP A 132 4.328 4.508 4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 132 7.059 5.472 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 132 6.045 6.346 4.336 1.00 0.00 H new ATOM 2033 N VAL A 133 7.223 3.266 3.463 1.00 0.00 N ATOM 2034 CA VAL A 133 7.921 2.730 2.299 1.00 0.00 C ATOM 2035 C VAL A 133 7.143 1.538 1.741 1.00 0.00 C ATOM 2036 O VAL A 133 6.573 1.667 0.668 1.00 0.00 O ATOM 2037 CB VAL A 133 9.398 2.407 2.617 1.00 0.00 C ATOM 2038 CG1 VAL A 133 10.121 1.830 1.393 1.00 0.00 C ATOM 2039 CG2 VAL A 133 10.144 3.671 3.074 1.00 0.00 C ATOM 0 H VAL A 133 7.737 3.137 4.335 1.00 0.00 H new ATOM 0 HA VAL A 133 7.959 3.490 1.518 1.00 0.00 H new ATOM 0 HB VAL A 133 9.397 1.666 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 133 11.158 1.614 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.626 0.911 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 133 10.093 2.554 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 133 11.182 3.422 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 133 10.110 4.420 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.670 4.069 3.971 1.00 0.00 H new ATOM 2049 N ALA A 134 7.076 0.393 2.432 1.00 0.00 N ATOM 2050 CA ALA A 134 6.555 -0.843 1.834 1.00 0.00 C ATOM 2051 C ALA A 134 5.096 -0.717 1.382 1.00 0.00 C ATOM 2052 O ALA A 134 4.716 -1.316 0.376 1.00 0.00 O ATOM 2053 CB ALA A 134 6.692 -1.993 2.832 1.00 0.00 C ATOM 0 H ALA A 134 7.375 0.297 3.402 1.00 0.00 H new ATOM 0 HA ALA A 134 7.147 -1.043 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.305 -2.909 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.743 -2.130 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.126 -1.761 3.734 1.00 0.00 H new ATOM 2059 N VAL A 135 4.261 0.030 2.106 1.00 0.00 N ATOM 2060 CA VAL A 135 2.869 0.257 1.724 1.00 0.00 C ATOM 2061 C VAL A 135 2.781 1.363 0.659 1.00 0.00 C ATOM 2062 O VAL A 135 1.787 1.442 -0.047 1.00 0.00 O ATOM 2063 CB VAL A 135 2.020 0.561 2.977 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.519 0.632 2.662 1.00 0.00 C ATOM 2065 CG2 VAL A 135 2.218 -0.514 4.062 1.00 0.00 C ATOM 0 H VAL A 135 4.532 0.494 2.973 1.00 0.00 H new ATOM 0 HA VAL A 135 2.459 -0.646 1.272 1.00 0.00 H new ATOM 0 HB VAL A 135 2.362 1.532 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.035 0.848 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.337 1.421 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.187 -0.323 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.607 -0.271 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.920 -1.486 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 135 3.268 -0.547 4.354 1.00 0.00 H new ATOM 2075 N GLY A 136 3.802 2.204 0.506 1.00 0.00 N ATOM 2076 CA GLY A 136 3.920 3.171 -0.575 1.00 0.00 C ATOM 2077 C GLY A 136 4.319 2.483 -1.880 1.00 0.00 C ATOM 2078 O GLY A 136 3.647 2.657 -2.895 1.00 0.00 O ATOM 0 H GLY A 136 4.591 2.229 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 136 2.971 3.691 -0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.663 3.925 -0.315 1.00 0.00 H new ATOM 2082 N GLU A 137 5.399 1.699 -1.861 1.00 0.00 N ATOM 2083 CA GLU A 137 5.990 1.087 -3.045 1.00 0.00 C ATOM 2084 C GLU A 137 4.988 0.107 -3.654 1.00 0.00 C ATOM 2085 O GLU A 137 4.718 0.170 -4.849 1.00 0.00 O ATOM 2086 CB GLU A 137 7.336 0.411 -2.721 1.00 0.00 C ATOM 2087 CG GLU A 137 8.408 1.389 -2.175 1.00 0.00 C ATOM 2088 CD GLU A 137 9.854 1.138 -2.649 1.00 0.00 C ATOM 2089 OE1 GLU A 137 10.163 1.444 -3.828 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.681 0.770 -1.785 1.00 0.00 O ATOM 0 H GLU A 137 5.896 1.469 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 137 6.210 1.863 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.169 -0.378 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.719 -0.068 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.125 2.403 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.391 1.345 -1.086 1.00 0.00 H new ATOM 2097 N ILE A 138 4.329 -0.718 -2.828 1.00 0.00 N ATOM 2098 CA ILE A 138 3.399 -1.712 -3.365 1.00 0.00 C ATOM 2099 C ILE A 138 2.241 -1.047 -4.138 1.00 0.00 C ATOM 2100 O ILE A 138 1.665 -1.651 -5.040 1.00 0.00 O ATOM 2101 CB ILE A 138 2.888 -2.655 -2.245 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.334 -3.979 -2.832 1.00 0.00 C ATOM 2103 CG2 ILE A 138 1.911 -1.945 -1.289 1.00 0.00 C ATOM 2104 CD1 ILE A 138 1.650 -4.944 -1.843 1.00 0.00 C ATOM 0 H ILE A 138 4.421 -0.716 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 138 3.942 -2.326 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 138 3.741 -2.932 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.617 -3.730 -3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.157 -4.510 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 138 1.580 -2.645 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.413 -1.100 -0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.048 -1.587 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.307 -5.830 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 138 2.361 -5.238 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.797 -4.447 -1.380 1.00 0.00 H new ATOM 2116 N LEU A 139 1.846 0.179 -3.777 1.00 0.00 N ATOM 2117 CA LEU A 139 0.783 0.930 -4.438 1.00 0.00 C ATOM 2118 C LEU A 139 1.272 1.628 -5.690 1.00 0.00 C ATOM 2119 O LEU A 139 0.542 1.741 -6.667 1.00 0.00 O ATOM 2120 CB LEU A 139 0.281 2.018 -3.500 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.465 1.458 -2.286 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.838 2.602 -1.355 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.726 0.677 -2.636 1.00 0.00 C ATOM 0 H LEU A 139 2.269 0.685 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 139 0.003 0.215 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.127 2.614 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.380 2.688 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 139 0.216 0.754 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.370 2.208 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.067 3.112 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.479 3.307 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.195 0.314 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.421 1.327 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.465 -0.170 -3.270 1.00 0.00 H new ATOM 2135 N ALA A 140 2.495 2.135 -5.652 1.00 0.00 N ATOM 2136 CA ALA A 140 3.180 2.527 -6.869 1.00 0.00 C ATOM 2137 C ALA A 140 3.126 1.386 -7.892 1.00 0.00 C ATOM 2138 O ALA A 140 2.953 1.675 -9.072 1.00 0.00 O ATOM 2139 CB ALA A 140 4.615 2.976 -6.580 1.00 0.00 C ATOM 0 H ALA A 140 3.029 2.283 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 140 2.667 3.387 -7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.101 3.263 -7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.600 3.829 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.167 2.156 -6.120 1.00 0.00 H new ATOM 2145 N GLU A 141 3.267 0.124 -7.485 1.00 0.00 N ATOM 2146 CA GLU A 141 3.584 -0.965 -8.404 1.00 0.00 C ATOM 2147 C GLU A 141 2.409 -1.836 -8.846 1.00 0.00 C ATOM 2148 O GLU A 141 2.457 -2.382 -9.953 1.00 0.00 O ATOM 2149 CB GLU A 141 4.635 -1.841 -7.730 1.00 0.00 C ATOM 2150 CG GLU A 141 5.961 -1.099 -7.696 1.00 0.00 C ATOM 2151 CD GLU A 141 7.051 -1.883 -6.998 1.00 0.00 C ATOM 2152 OE1 GLU A 141 6.887 -2.300 -5.832 1.00 0.00 O ATOM 2153 OE2 GLU A 141 8.085 -2.023 -7.679 1.00 0.00 O ATOM 0 H GLU A 141 3.165 -0.169 -6.513 1.00 0.00 H new ATOM 0 HA GLU A 141 3.933 -0.496 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.320 -2.093 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.744 -2.780 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.275 -0.877 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.825 -0.143 -7.189 1.00 0.00 H new ATOM 2160 N VAL A 142 1.391 -2.022 -8.008 1.00 0.00 N ATOM 2161 CA VAL A 142 0.281 -2.946 -8.258 1.00 0.00 C ATOM 2162 C VAL A 142 -0.900 -2.183 -8.887 1.00 0.00 C ATOM 2163 O VAL A 142 -1.891 -2.805 -9.321 1.00 0.00 O ATOM 2164 CB VAL A 142 -0.037 -3.673 -6.937 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.369 -4.428 -6.922 1.00 0.00 C ATOM 2166 CG2 VAL A 142 1.097 -4.648 -6.570 1.00 0.00 C ATOM 0 H VAL A 142 1.311 -1.527 -7.120 1.00 0.00 H new ATOM 0 HA VAL A 142 0.535 -3.716 -8.987 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.126 -2.878 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.505 -4.907 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.186 -3.728 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.366 -5.187 -7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.855 -5.152 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.211 -5.388 -7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.029 -4.095 -6.453 1.00 0.00 H new