USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 795 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 72 HIS : no HD1:sc= -8.16! C(o=-15!,f=-15!) USER MOD Set 1.2: A 76 ASN : amide:sc= -6.46! C(o=-15!,f=-18!) USER MOD Set 2.1: A 10 ASN : amide:sc= -0.559 K(o=-0.56,f=-2) USER MOD Set 2.2: A 62 GLN : amide:sc= 0 X(o=-0.56,f=-0.32) USER MOD Set 3.1: A 48 GLN :FLIP amide:sc= -2.17! C(o=-6.9!,f=-2!) USER MOD Set 3.2: A 87 LYS NZ :NH3+ -128:sc= -0.142 (180deg=0.0343) USER MOD Set 3.3: A 88 TYR OH : rot -141:sc= 0.346 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 19 ASN :FLIP amide:sc= -1.88 F(o=-5.7!,f=-1.9) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -4! USER MOD Single : A 28 ASN : amide:sc= -0.0209 K(o=-0.021,f=-0.71) USER MOD Single : A 31 MET CE :methyl 178:sc= 0 (180deg=-0.00435) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -39:sc= 0.423 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -137:sc= -0.0829 (180deg=-1.42) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -4.19! C(o=-5.2!,f=-4.2!) USER MOD Single : A 61 ASN : amide:sc= -6.92! C(o=-6.9!,f=-8.5!) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc=-0.000264 (180deg=-0.0397) USER MOD Single : A 67 TYR OH : rot 125:sc= -0.144 USER MOD Single : A 75 LYS NZ :NH3+ -110:sc= -0.269 (180deg=-0.551) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 93 ASN : amide:sc= -0.949 X(o=-0.95,f=-0.57) USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= -0.116 (180deg=-0.73) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 125:sc= -2.18 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -13.129 3.213 -1.268 1.00 0.00 N ATOM 122 CA TYR A 8 -12.139 2.167 -1.040 1.00 0.00 C ATOM 123 C TYR A 8 -12.817 0.815 -0.805 1.00 0.00 C ATOM 124 O TYR A 8 -13.230 0.496 0.256 1.00 0.00 O ATOM 125 CB TYR A 8 -11.252 2.534 0.101 1.00 0.00 C ATOM 126 CG TYR A 8 -11.982 2.590 1.393 1.00 0.00 C ATOM 127 CD1 TYR A 8 -12.778 3.673 1.723 1.00 0.00 C ATOM 128 CD2 TYR A 8 -11.866 1.557 2.309 1.00 0.00 C ATOM 129 CE1 TYR A 8 -13.445 3.728 2.935 1.00 0.00 C ATOM 130 CE2 TYR A 8 -12.525 1.599 3.530 1.00 0.00 C ATOM 131 CZ TYR A 8 -13.315 2.686 3.833 1.00 0.00 C ATOM 132 OH TYR A 8 -13.980 2.740 5.039 1.00 0.00 O ATOM 0 HA TYR A 8 -11.521 2.073 -1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -10.442 1.808 0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -10.794 3.503 -0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.881 4.489 1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.251 0.703 2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.063 4.580 3.177 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.419 0.788 4.235 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.786 1.931 5.556 1.00 0.00 H new ATOM 142 N ASP A 9 -12.930 0.022 -1.867 1.00 0.00 N ATOM 143 CA ASP A 9 -13.554 -1.208 -1.779 1.00 0.00 C ATOM 144 C ASP A 9 -12.581 -2.295 -2.236 1.00 0.00 C ATOM 145 O ASP A 9 -12.712 -2.827 -3.342 1.00 0.00 O ATOM 146 CB ASP A 9 -14.823 -1.249 -2.631 1.00 0.00 C ATOM 147 CG ASP A 9 -15.887 -2.155 -2.037 1.00 0.00 C ATOM 148 OD1 ASP A 9 -15.838 -3.372 -2.293 1.00 0.00 O ATOM 149 OD2 ASP A 9 -16.769 -1.642 -1.317 1.00 0.00 O ATOM 0 H ASP A 9 -12.577 0.254 -2.795 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.845 -1.379 -0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.223 -0.240 -2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.573 -1.595 -3.634 1.00 0.00 H new ATOM 154 N ASN A 10 -11.623 -2.625 -1.375 1.00 0.00 N ATOM 155 CA ASN A 10 -10.636 -3.656 -1.691 1.00 0.00 C ATOM 156 C ASN A 10 -10.214 -4.401 -0.432 1.00 0.00 C ATOM 157 O ASN A 10 -10.412 -5.613 -0.330 1.00 0.00 O ATOM 158 CB ASN A 10 -9.413 -3.027 -2.360 1.00 0.00 C ATOM 159 CG ASN A 10 -8.394 -4.062 -2.790 1.00 0.00 C ATOM 160 OD1 ASN A 10 -8.723 -5.240 -2.963 1.00 0.00 O ATOM 161 ND2 ASN A 10 -7.152 -3.633 -2.968 1.00 0.00 N ATOM 0 H ASN A 10 -11.508 -2.196 -0.457 1.00 0.00 H new ATOM 0 HA ASN A 10 -11.092 -4.368 -2.379 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.733 -2.453 -3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.945 -2.325 -1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.424 -4.285 -3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.925 -2.651 -2.814 1.00 0.00 H new ATOM 168 N ILE A 11 -9.634 -3.676 0.450 1.00 0.00 N ATOM 169 CA ILE A 11 -9.188 -4.272 1.680 1.00 0.00 C ATOM 170 C ILE A 11 -9.412 -3.301 2.843 1.00 0.00 C ATOM 171 O ILE A 11 -9.899 -2.189 2.637 1.00 0.00 O ATOM 172 CB ILE A 11 -7.690 -4.679 1.598 1.00 0.00 C ATOM 173 CG1 ILE A 11 -7.387 -5.810 2.588 1.00 0.00 C ATOM 174 CG2 ILE A 11 -6.781 -3.483 1.854 1.00 0.00 C ATOM 175 CD1 ILE A 11 -6.642 -6.976 1.965 1.00 0.00 C ATOM 0 H ILE A 11 -9.452 -2.677 0.358 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.771 -5.177 1.851 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.492 -5.039 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.797 -5.411 3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.324 -6.172 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.739 -3.798 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.974 -2.713 1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.979 -3.082 2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.461 -7.739 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.240 -7.400 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.689 -6.628 1.566 1.00 0.00 H new ATOM 187 N ASN A 12 -9.052 -3.711 4.050 1.00 0.00 N ATOM 188 CA ASN A 12 -9.226 -2.869 5.229 1.00 0.00 C ATOM 189 C ASN A 12 -8.235 -1.711 5.205 1.00 0.00 C ATOM 190 O ASN A 12 -7.342 -1.629 6.052 1.00 0.00 O ATOM 191 CB ASN A 12 -9.041 -3.694 6.503 1.00 0.00 C ATOM 192 CG ASN A 12 -10.324 -4.398 6.926 1.00 0.00 C ATOM 193 OD1 ASN A 12 -10.935 -5.117 6.142 1.00 0.00 O ATOM 194 ND2 ASN A 12 -10.722 -4.186 8.174 1.00 0.00 N ATOM 0 H ASN A 12 -8.637 -4.623 4.241 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.238 -2.463 5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.258 -4.435 6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.703 -3.043 7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -11.572 -4.630 8.521 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.178 -3.579 8.787 1.00 0.00 H new ATOM 201 N LEU A 13 -8.396 -0.815 4.233 1.00 0.00 N ATOM 202 CA LEU A 13 -7.516 0.260 4.104 1.00 0.00 C ATOM 203 C LEU A 13 -7.986 1.401 4.993 1.00 0.00 C ATOM 204 O LEU A 13 -8.148 2.537 4.563 1.00 0.00 O ATOM 205 CB LEU A 13 -7.452 0.714 2.647 1.00 0.00 C ATOM 206 CG LEU A 13 -6.455 -0.026 1.793 1.00 0.00 C ATOM 207 CD1 LEU A 13 -6.802 0.067 0.337 1.00 0.00 C ATOM 208 CD2 LEU A 13 -5.032 0.419 2.059 1.00 0.00 C ATOM 0 H LEU A 13 -9.142 -0.845 3.538 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.517 -0.048 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.441 0.602 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.210 1.777 2.623 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.513 -1.077 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.062 -0.478 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.788 -0.366 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.809 1.113 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.350 -0.142 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.937 1.483 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.783 0.237 3.104 1.00 0.00 H new ATOM 220 N ASP A 14 -8.188 1.070 6.262 1.00 0.00 N ATOM 221 CA ASP A 14 -8.616 2.023 7.257 1.00 0.00 C ATOM 222 C ASP A 14 -7.643 1.996 8.430 1.00 0.00 C ATOM 223 O ASP A 14 -7.174 3.035 8.886 1.00 0.00 O ATOM 224 CB ASP A 14 -10.035 1.713 7.741 1.00 0.00 C ATOM 225 CG ASP A 14 -10.776 2.949 8.202 1.00 0.00 C ATOM 226 OD1 ASP A 14 -10.663 3.992 7.531 1.00 0.00 O ATOM 227 OD2 ASP A 14 -11.478 2.873 9.233 1.00 0.00 O ATOM 0 H ASP A 14 -8.057 0.125 6.624 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.625 3.017 6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.594 1.238 6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.987 0.996 8.561 1.00 0.00 H new ATOM 232 N GLU A 15 -7.331 0.791 8.882 1.00 0.00 N ATOM 233 CA GLU A 15 -6.398 0.606 9.974 1.00 0.00 C ATOM 234 C GLU A 15 -5.022 1.137 9.596 1.00 0.00 C ATOM 235 O GLU A 15 -4.260 1.570 10.460 1.00 0.00 O ATOM 236 CB GLU A 15 -6.306 -0.790 10.352 1.00 0.00 C ATOM 237 CG GLU A 15 -5.773 -1.673 9.230 1.00 0.00 C ATOM 238 CD GLU A 15 -5.901 -3.150 9.533 1.00 0.00 C ATOM 239 OE1 GLU A 15 -5.689 -3.533 10.712 1.00 0.00 O ATOM 240 OE2 GLU A 15 -6.219 -3.921 8.613 1.00 0.00 O ATOM 0 H GLU A 15 -7.715 -0.075 8.505 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.771 1.168 10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.656 -0.884 11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.292 -1.146 10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.312 -1.448 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.725 -1.433 9.052 1.00 0.00 H new ATOM 247 N ILE A 16 -4.707 1.115 8.299 1.00 0.00 N ATOM 248 CA ILE A 16 -3.415 1.605 7.829 1.00 0.00 C ATOM 249 C ILE A 16 -3.547 2.998 7.229 1.00 0.00 C ATOM 250 O ILE A 16 -2.589 3.521 6.649 1.00 0.00 O ATOM 251 CB ILE A 16 -2.781 0.665 6.798 1.00 0.00 C ATOM 252 CG1 ILE A 16 -3.023 -0.719 7.185 1.00 0.00 C ATOM 253 CG2 ILE A 16 -1.293 0.949 6.691 1.00 0.00 C ATOM 254 CD1 ILE A 16 -2.456 -1.707 6.188 1.00 0.00 C ATOM 0 H ILE A 16 -5.323 0.767 7.565 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.762 1.645 8.701 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.232 0.833 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.581 -0.902 8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.096 -0.883 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.846 0.278 5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.141 1.982 6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.822 0.791 7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.664 -2.723 6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.917 -1.546 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.378 -1.565 6.108 1.00 0.00 H new ATOM 266 N LEU A 17 -4.719 3.605 7.366 1.00 0.00 N ATOM 267 CA LEU A 17 -4.963 4.942 6.843 1.00 0.00 C ATOM 268 C LEU A 17 -5.525 5.858 7.932 1.00 0.00 C ATOM 269 O LEU A 17 -5.794 7.041 7.697 1.00 0.00 O ATOM 270 CB LEU A 17 -5.917 4.862 5.646 1.00 0.00 C ATOM 271 CG LEU A 17 -6.575 6.176 5.220 1.00 0.00 C ATOM 272 CD1 LEU A 17 -5.520 7.180 4.794 1.00 0.00 C ATOM 273 CD2 LEU A 17 -7.577 5.936 4.105 1.00 0.00 C ATOM 0 H LEU A 17 -5.521 3.188 7.839 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.017 5.369 6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.366 4.462 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.704 4.145 5.882 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.114 6.587 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.003 8.110 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.845 7.374 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.953 6.778 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.034 6.883 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.067 5.502 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.350 5.251 4.452 1.00 0.00 H new ATOM 285 N ALA A 18 -5.705 5.313 9.135 1.00 0.00 N ATOM 286 CA ALA A 18 -6.235 6.077 10.248 1.00 0.00 C ATOM 287 C ALA A 18 -5.261 7.154 10.709 1.00 0.00 C ATOM 288 O ALA A 18 -5.647 8.312 10.886 1.00 0.00 O ATOM 289 CB ALA A 18 -6.573 5.154 11.407 1.00 0.00 C ATOM 0 H ALA A 18 -5.489 4.341 9.357 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.142 6.573 9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.970 5.741 12.236 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.319 4.427 11.087 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.673 4.632 11.731 1.00 0.00 H new ATOM 295 N ASN A 19 -3.995 6.780 10.895 1.00 0.00 N ATOM 296 CA ASN A 19 -2.982 7.736 11.338 1.00 0.00 C ATOM 297 C ASN A 19 -1.574 7.286 10.959 1.00 0.00 C ATOM 298 O ASN A 19 -1.332 6.108 10.686 1.00 0.00 O ATOM 299 CB ASN A 19 -3.070 7.957 12.852 1.00 0.00 C ATOM 300 CG ASN A 19 -3.568 6.726 13.599 1.00 0.00 C ATOM 301 OD1 ASN A 19 -2.956 5.580 13.308 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -4.471 6.807 14.428 1.00 0.00 N flip ATOM 0 H ASN A 19 -3.650 5.832 10.747 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.183 8.678 10.827 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.087 8.234 13.232 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.738 8.794 13.054 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.910 7.708 14.617 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.782 5.973 14.927 1.00 0.00 H new ATOM 309 N LYS A 20 -0.658 8.248 10.956 1.00 0.00 N ATOM 310 CA LYS A 20 0.661 7.980 10.621 1.00 0.00 C ATOM 311 C LYS A 20 1.225 6.863 11.489 1.00 0.00 C ATOM 312 O LYS A 20 1.938 5.990 11.007 1.00 0.00 O ATOM 313 CB LYS A 20 1.543 9.232 10.773 1.00 0.00 C ATOM 314 CG LYS A 20 0.773 10.549 10.869 1.00 0.00 C ATOM 315 CD LYS A 20 0.339 10.832 12.297 1.00 0.00 C ATOM 316 CE LYS A 20 1.188 11.920 12.931 1.00 0.00 C ATOM 317 NZ LYS A 20 0.888 12.090 14.376 1.00 0.00 N ATOM 0 H LYS A 20 -0.848 9.222 11.191 1.00 0.00 H new ATOM 0 HA LYS A 20 0.670 7.667 9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.157 9.120 11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.223 9.286 9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.398 11.366 10.508 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.103 10.509 10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.708 11.134 12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.413 9.920 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.243 11.675 12.806 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.016 12.863 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.489 12.842 14.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.112 12.349 14.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.077 11.198 14.877 1.00 0.00 H new ATOM 331 N ARG A 21 0.906 6.901 12.770 1.00 0.00 N ATOM 332 CA ARG A 21 1.386 5.891 13.708 1.00 0.00 C ATOM 333 C ARG A 21 1.135 4.478 13.182 1.00 0.00 C ATOM 334 O ARG A 21 1.891 3.554 13.494 1.00 0.00 O ATOM 335 CB ARG A 21 0.720 6.065 15.072 1.00 0.00 C ATOM 336 CG ARG A 21 -0.718 6.127 14.999 1.00 0.00 C ATOM 337 CD ARG A 21 -1.321 6.431 16.360 1.00 0.00 C ATOM 338 NE ARG A 21 -1.645 7.853 16.505 1.00 0.00 N ATOM 339 CZ ARG A 21 -2.216 8.366 17.589 1.00 0.00 C ATOM 340 NH1 ARG A 21 -2.521 7.598 18.627 1.00 0.00 N ATOM 341 NH2 ARG A 21 -2.478 9.669 17.640 1.00 0.00 N ATOM 0 H ARG A 21 0.316 7.620 13.189 1.00 0.00 H new ATOM 0 HA ARG A 21 2.462 6.028 13.817 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.009 5.236 15.718 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.093 6.977 15.537 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.016 6.895 14.286 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.108 5.179 14.628 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.224 5.836 16.499 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.621 6.136 17.142 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.420 8.481 15.733 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.317 6.599 18.600 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.959 8.007 19.452 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.241 10.268 16.849 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.916 10.069 18.470 1.00 0.00 H new ATOM 355 N LEU A 22 0.116 4.319 12.388 1.00 0.00 N ATOM 356 CA LEU A 22 -0.167 3.007 11.845 1.00 0.00 C ATOM 357 C LEU A 22 0.303 2.824 10.438 1.00 0.00 C ATOM 358 O LEU A 22 1.065 1.898 10.185 1.00 0.00 O ATOM 359 CB LEU A 22 -1.678 2.793 11.860 1.00 0.00 C ATOM 360 CG LEU A 22 -2.211 1.965 13.039 1.00 0.00 C ATOM 361 CD1 LEU A 22 -1.621 2.468 14.349 1.00 0.00 C ATOM 362 CD2 LEU A 22 -3.725 2.016 13.084 1.00 0.00 C ATOM 0 H LEU A 22 -0.525 5.059 12.102 1.00 0.00 H new ATOM 0 HA LEU A 22 0.369 2.289 12.466 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.166 3.767 11.871 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.968 2.302 10.931 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.907 0.928 12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.008 1.872 15.175 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.535 2.381 14.316 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.897 3.512 14.495 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.084 1.424 13.926 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.051 3.049 13.202 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.130 1.612 12.157 1.00 0.00 H new ATOM 374 N LEU A 23 -0.004 3.711 9.523 1.00 0.00 N ATOM 375 CA LEU A 23 0.415 3.608 8.148 1.00 0.00 C ATOM 376 C LEU A 23 1.937 3.577 8.142 1.00 0.00 C ATOM 377 O LEU A 23 2.561 2.863 7.364 1.00 0.00 O ATOM 378 CB LEU A 23 -0.027 4.775 7.300 1.00 0.00 C ATOM 379 CG LEU A 23 0.577 6.123 7.561 1.00 0.00 C ATOM 380 CD1 LEU A 23 1.759 6.312 6.628 1.00 0.00 C ATOM 381 CD2 LEU A 23 -0.342 7.259 7.395 1.00 0.00 C ATOM 0 H LEU A 23 -0.564 4.541 9.718 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.038 2.711 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.170 4.520 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.108 4.871 7.406 1.00 0.00 H new ATOM 0 HG LEU A 23 0.867 6.125 8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.210 7.288 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.498 5.532 6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.420 6.251 5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.187 8.189 7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.716 7.278 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.179 7.154 8.085 1.00 0.00 H new ATOM 393 N VAL A 24 2.527 4.368 9.038 1.00 0.00 N ATOM 394 CA VAL A 24 3.969 4.444 9.157 1.00 0.00 C ATOM 395 C VAL A 24 4.515 3.193 9.838 1.00 0.00 C ATOM 396 O VAL A 24 5.471 2.583 9.347 1.00 0.00 O ATOM 397 CB VAL A 24 4.416 5.688 9.956 1.00 0.00 C ATOM 398 CG1 VAL A 24 5.929 5.749 10.066 1.00 0.00 C ATOM 399 CG2 VAL A 24 3.868 6.947 9.310 1.00 0.00 C ATOM 0 H VAL A 24 2.019 4.965 9.691 1.00 0.00 H new ATOM 0 HA VAL A 24 4.368 4.521 8.146 1.00 0.00 H new ATOM 0 HB VAL A 24 4.014 5.613 10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.217 6.634 10.633 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.293 4.857 10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.365 5.800 9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.189 7.818 9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.242 7.024 8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.779 6.904 9.295 1.00 0.00 H new ATOM 409 N ALA A 25 3.912 2.811 10.950 1.00 0.00 N ATOM 410 CA ALA A 25 4.346 1.623 11.674 1.00 0.00 C ATOM 411 C ALA A 25 4.343 0.411 10.759 1.00 0.00 C ATOM 412 O ALA A 25 5.307 -0.271 10.716 1.00 0.00 O ATOM 413 CB ALA A 25 3.475 1.379 12.899 1.00 0.00 C ATOM 0 H ALA A 25 3.124 3.302 11.372 1.00 0.00 H new ATOM 0 HA ALA A 25 5.366 1.791 12.019 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.822 0.486 13.420 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.539 2.237 13.568 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.440 1.238 12.587 1.00 0.00 H new ATOM 419 N TYR A 26 3.256 0.245 10.023 1.00 0.00 N ATOM 420 CA TYR A 26 3.139 -0.798 9.098 1.00 0.00 C ATOM 421 C TYR A 26 4.186 -0.659 8.000 1.00 0.00 C ATOM 422 O TYR A 26 4.897 -1.618 7.682 1.00 0.00 O ATOM 423 CB TYR A 26 1.735 -0.859 8.484 1.00 0.00 C ATOM 424 CG TYR A 26 1.091 -2.224 8.603 1.00 0.00 C ATOM 425 CD1 TYR A 26 1.529 -3.287 7.825 1.00 0.00 C ATOM 426 CD2 TYR A 26 0.082 -2.446 9.486 1.00 0.00 C ATOM 427 CE1 TYR A 26 0.949 -4.536 7.930 1.00 0.00 C ATOM 428 CE2 TYR A 26 -0.466 -3.687 9.595 1.00 0.00 C ATOM 429 CZ TYR A 26 -0.012 -4.730 8.819 1.00 0.00 C ATOM 430 OH TYR A 26 -0.596 -5.970 8.928 1.00 0.00 O ATOM 0 H TYR A 26 2.439 0.853 10.074 1.00 0.00 H new ATOM 0 HA TYR A 26 3.308 -1.731 9.636 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.099 -0.121 8.973 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.793 -0.582 7.431 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.337 -3.135 7.125 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.285 -1.638 10.101 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.276 -5.345 7.294 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.267 -3.856 10.299 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.283 -5.948 9.627 1.00 0.00 H new ATOM 440 N VAL A 27 4.302 0.454 7.436 1.00 0.00 N ATOM 441 CA VAL A 27 5.283 0.704 6.386 1.00 0.00 C ATOM 442 C VAL A 27 6.692 0.440 6.918 1.00 0.00 C ATOM 443 O VAL A 27 7.533 -0.023 6.201 1.00 0.00 O ATOM 444 CB VAL A 27 5.190 2.152 5.852 1.00 0.00 C ATOM 445 CG1 VAL A 27 6.389 2.492 4.977 1.00 0.00 C ATOM 446 CG2 VAL A 27 3.896 2.348 5.079 1.00 0.00 C ATOM 0 H VAL A 27 3.725 1.263 7.665 1.00 0.00 H new ATOM 0 HA VAL A 27 5.067 0.026 5.560 1.00 0.00 H new ATOM 0 HB VAL A 27 5.194 2.829 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.297 3.516 4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.305 2.394 5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.425 1.809 4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.845 3.372 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.867 1.656 4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.047 2.156 5.736 1.00 0.00 H new ATOM 456 N ASN A 28 6.933 0.817 8.165 1.00 0.00 N ATOM 457 CA ASN A 28 8.238 0.584 8.777 1.00 0.00 C ATOM 458 C ASN A 28 8.396 -0.801 9.112 1.00 0.00 C ATOM 459 O ASN A 28 9.496 -1.346 9.034 1.00 0.00 O ATOM 460 CB ASN A 28 8.403 1.441 10.033 1.00 0.00 C ATOM 461 CG ASN A 28 9.046 2.782 9.742 1.00 0.00 C ATOM 462 OD1 ASN A 28 8.971 3.286 8.619 1.00 0.00 O ATOM 463 ND2 ASN A 28 9.688 3.368 10.742 1.00 0.00 N ATOM 0 H ASN A 28 6.253 1.280 8.769 1.00 0.00 H new ATOM 0 HA ASN A 28 9.005 0.864 8.055 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.426 1.602 10.490 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.010 0.901 10.760 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.143 4.269 10.597 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.727 2.918 11.656 1.00 0.00 H new ATOM 470 N CYS A 29 7.282 -1.447 9.442 1.00 0.00 N ATOM 471 CA CYS A 29 7.308 -2.863 9.751 1.00 0.00 C ATOM 472 C CYS A 29 7.562 -3.647 8.479 1.00 0.00 C ATOM 473 O CYS A 29 8.172 -4.714 8.500 1.00 0.00 O ATOM 474 CB CYS A 29 6.004 -3.311 10.406 1.00 0.00 C ATOM 475 SG CYS A 29 6.244 -4.496 11.769 1.00 0.00 S ATOM 0 H CYS A 29 6.361 -1.013 9.501 1.00 0.00 H new ATOM 0 HA CYS A 29 8.112 -3.053 10.462 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.478 -2.435 10.785 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.364 -3.765 9.649 1.00 0.00 H new ATOM 480 N VAL A 30 7.110 -3.101 7.343 1.00 0.00 N ATOM 481 CA VAL A 30 7.308 -3.748 6.056 1.00 0.00 C ATOM 482 C VAL A 30 8.798 -4.047 5.867 1.00 0.00 C ATOM 483 O VAL A 30 9.164 -4.991 5.164 1.00 0.00 O ATOM 484 CB VAL A 30 6.795 -2.868 4.898 1.00 0.00 C ATOM 485 CG1 VAL A 30 7.213 -3.440 3.551 1.00 0.00 C ATOM 486 CG2 VAL A 30 5.278 -2.736 4.978 1.00 0.00 C ATOM 0 H VAL A 30 6.607 -2.215 7.297 1.00 0.00 H new ATOM 0 HA VAL A 30 6.737 -4.677 6.044 1.00 0.00 H new ATOM 0 HB VAL A 30 7.241 -1.878 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.838 -2.800 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.301 -3.488 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.800 -4.442 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.923 -2.113 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.823 -3.724 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.002 -2.277 5.927 1.00 0.00 H new ATOM 496 N MET A 31 9.647 -3.240 6.504 1.00 0.00 N ATOM 497 CA MET A 31 11.085 -3.433 6.415 1.00 0.00 C ATOM 498 C MET A 31 11.472 -4.823 6.934 1.00 0.00 C ATOM 499 O MET A 31 12.531 -5.343 6.588 1.00 0.00 O ATOM 500 CB MET A 31 11.796 -2.343 7.213 1.00 0.00 C ATOM 501 CG MET A 31 13.268 -2.615 7.444 1.00 0.00 C ATOM 502 SD MET A 31 14.297 -1.163 7.223 1.00 0.00 S ATOM 503 CE MET A 31 13.736 -0.131 8.574 1.00 0.00 C ATOM 0 H MET A 31 9.360 -2.451 7.084 1.00 0.00 H new ATOM 0 HA MET A 31 11.392 -3.365 5.371 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.690 -1.394 6.688 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.301 -2.231 8.178 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.406 -3.000 8.455 1.00 0.00 H new ATOM 0 HG3 MET A 31 13.599 -3.395 6.758 1.00 0.00 H new ATOM 0 HE1 MET A 31 14.311 0.795 8.588 1.00 0.00 H new ATOM 0 HE2 MET A 31 12.679 0.100 8.441 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.876 -0.659 9.517 1.00 0.00 H new ATOM 513 N GLU A 32 10.596 -5.413 7.757 1.00 0.00 N ATOM 514 CA GLU A 32 10.788 -6.752 8.344 1.00 0.00 C ATOM 515 C GLU A 32 11.369 -6.669 9.761 1.00 0.00 C ATOM 516 O GLU A 32 12.296 -7.390 10.112 1.00 0.00 O ATOM 517 CB GLU A 32 11.660 -7.644 7.441 1.00 0.00 C ATOM 518 CG GLU A 32 13.165 -7.527 7.664 1.00 0.00 C ATOM 519 CD GLU A 32 13.759 -8.771 8.297 1.00 0.00 C ATOM 520 OE1 GLU A 32 13.560 -9.875 7.737 1.00 0.00 O ATOM 521 OE2 GLU A 32 14.411 -8.656 9.344 1.00 0.00 O ATOM 0 H GLU A 32 9.721 -4.971 8.040 1.00 0.00 H new ATOM 0 HA GLU A 32 9.804 -7.215 8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.367 -8.683 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.444 -7.401 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.657 -7.339 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.368 -6.667 8.302 1.00 0.00 H new ATOM 528 N ARG A 33 10.794 -5.787 10.577 1.00 0.00 N ATOM 529 CA ARG A 33 11.243 -5.622 11.955 1.00 0.00 C ATOM 530 C ARG A 33 10.663 -6.714 12.863 1.00 0.00 C ATOM 531 O ARG A 33 11.266 -7.081 13.866 1.00 0.00 O ATOM 532 CB ARG A 33 10.858 -4.243 12.482 1.00 0.00 C ATOM 533 CG ARG A 33 9.361 -4.034 12.611 1.00 0.00 C ATOM 534 CD ARG A 33 9.031 -2.575 12.887 1.00 0.00 C ATOM 535 NE ARG A 33 7.770 -2.436 13.615 1.00 0.00 N ATOM 536 CZ ARG A 33 7.220 -1.266 13.925 1.00 0.00 C ATOM 537 NH1 ARG A 33 7.809 -0.129 13.565 1.00 0.00 N ATOM 538 NH2 ARG A 33 6.074 -1.232 14.597 1.00 0.00 N ATOM 0 H ARG A 33 10.020 -5.179 10.308 1.00 0.00 H new ATOM 0 HA ARG A 33 12.329 -5.713 11.964 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.322 -4.094 13.457 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.266 -3.483 11.816 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.866 -4.354 11.694 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.972 -4.656 13.417 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.837 -2.122 13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.969 -2.031 11.945 1.00 0.00 H new ATOM 0 HE ARG A 33 7.284 -3.286 13.901 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.688 -0.151 13.048 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.382 0.765 13.806 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.619 -2.102 14.873 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.650 -0.336 14.836 1.00 0.00 H new ATOM 552 N GLY A 34 9.489 -7.223 12.496 1.00 0.00 N ATOM 553 CA GLY A 34 8.863 -8.267 13.286 1.00 0.00 C ATOM 554 C GLY A 34 7.414 -7.951 13.644 1.00 0.00 C ATOM 555 O GLY A 34 6.867 -6.949 13.192 1.00 0.00 O ATOM 0 H GLY A 34 8.964 -6.933 11.671 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.899 -9.206 12.733 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.435 -8.415 14.202 1.00 0.00 H new ATOM 559 N LYS A 35 6.807 -8.816 14.449 1.00 0.00 N ATOM 560 CA LYS A 35 5.410 -8.653 14.882 1.00 0.00 C ATOM 561 C LYS A 35 4.506 -8.205 13.733 1.00 0.00 C ATOM 562 O LYS A 35 3.972 -9.038 12.993 1.00 0.00 O ATOM 563 CB LYS A 35 5.316 -7.674 16.055 1.00 0.00 C ATOM 564 CG LYS A 35 6.455 -6.665 16.123 1.00 0.00 C ATOM 565 CD LYS A 35 6.475 -5.933 17.464 1.00 0.00 C ATOM 566 CE LYS A 35 5.087 -5.457 17.867 1.00 0.00 C ATOM 567 NZ LYS A 35 5.093 -4.777 19.186 1.00 0.00 N ATOM 0 H LYS A 35 7.261 -9.649 14.823 1.00 0.00 H new ATOM 0 HA LYS A 35 5.057 -9.630 15.214 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.372 -7.134 15.987 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.293 -8.241 16.985 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.405 -7.177 15.972 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.351 -5.942 15.314 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.870 -6.595 18.234 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.149 -5.078 17.402 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.704 -4.774 17.109 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.408 -6.309 17.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.128 -4.469 19.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.434 -5.436 19.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.721 -3.949 19.147 1.00 0.00 H new ATOM 581 N CYS A 36 4.330 -6.896 13.569 1.00 0.00 N ATOM 582 CA CYS A 36 3.482 -6.377 12.503 1.00 0.00 C ATOM 583 C CYS A 36 4.028 -6.789 11.136 1.00 0.00 C ATOM 584 O CYS A 36 3.313 -6.751 10.135 1.00 0.00 O ATOM 585 CB CYS A 36 3.346 -4.850 12.580 1.00 0.00 C ATOM 586 SG CYS A 36 4.842 -3.968 13.126 1.00 0.00 S ATOM 0 H CYS A 36 4.760 -6.182 14.156 1.00 0.00 H new ATOM 0 HA CYS A 36 2.490 -6.808 12.635 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.061 -4.476 11.597 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.531 -4.607 13.262 1.00 0.00 H new ATOM 591 N SER A 37 5.300 -7.198 11.096 1.00 0.00 N ATOM 592 CA SER A 37 5.914 -7.631 9.850 1.00 0.00 C ATOM 593 C SER A 37 5.225 -8.880 9.320 1.00 0.00 C ATOM 594 O SER A 37 4.579 -8.851 8.272 1.00 0.00 O ATOM 595 CB SER A 37 7.410 -7.903 10.059 1.00 0.00 C ATOM 596 OG SER A 37 8.177 -6.729 9.868 1.00 0.00 O ATOM 0 H SER A 37 5.915 -7.236 11.909 1.00 0.00 H new ATOM 0 HA SER A 37 5.800 -6.833 9.116 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.575 -8.288 11.065 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.742 -8.674 9.364 1.00 0.00 H new ATOM 0 HG SER A 37 7.811 -6.218 9.116 1.00 0.00 H new ATOM 602 N PRO A 38 5.319 -10.010 10.052 1.00 0.00 N ATOM 603 CA PRO A 38 4.676 -11.259 9.659 1.00 0.00 C ATOM 604 C PRO A 38 3.163 -11.104 9.565 1.00 0.00 C ATOM 605 O PRO A 38 2.527 -11.635 8.656 1.00 0.00 O ATOM 606 CB PRO A 38 5.047 -12.242 10.774 1.00 0.00 C ATOM 607 CG PRO A 38 5.435 -11.390 11.927 1.00 0.00 C ATOM 608 CD PRO A 38 6.038 -10.150 11.331 1.00 0.00 C ATOM 0 HA PRO A 38 5.002 -11.592 8.674 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.206 -12.888 11.026 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.868 -12.892 10.470 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.569 -11.147 12.543 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.150 -11.903 12.570 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.891 -9.282 11.973 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.112 -10.257 11.180 1.00 0.00 H new ATOM 616 N GLU A 39 2.597 -10.369 10.518 1.00 0.00 N ATOM 617 CA GLU A 39 1.155 -10.127 10.543 1.00 0.00 C ATOM 618 C GLU A 39 0.695 -9.496 9.231 1.00 0.00 C ATOM 619 O GLU A 39 -0.312 -9.787 8.733 1.00 0.00 O ATOM 620 CB GLU A 39 0.780 -9.230 11.725 1.00 0.00 C ATOM 621 CG GLU A 39 1.082 -9.853 13.075 1.00 0.00 C ATOM 622 CD GLU A 39 0.156 -10.978 13.416 1.00 0.00 C ATOM 623 OE1 GLU A 39 0.274 -12.066 12.822 1.00 0.00 O ATOM 624 OE2 GLU A 39 -0.670 -10.770 14.292 1.00 0.00 O ATOM 0 H GLU A 39 3.112 -9.931 11.282 1.00 0.00 H new ATOM 0 HA GLU A 39 0.650 -11.085 10.663 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.319 -8.286 11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.283 -8.996 11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.108 -10.220 13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.014 -9.086 13.847 1.00 0.00 H new ATOM 631 N GLY A 40 1.526 -8.608 8.686 1.00 0.00 N ATOM 632 CA GLY A 40 1.191 -7.946 7.433 1.00 0.00 C ATOM 633 C GLY A 40 1.019 -8.928 6.289 1.00 0.00 C ATOM 634 O GLY A 40 0.455 -8.593 5.248 1.00 0.00 O ATOM 0 H GLY A 40 2.423 -8.335 9.088 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.271 -7.376 7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.975 -7.232 7.181 1.00 0.00 H new ATOM 638 N LYS A 41 1.528 -10.148 6.474 1.00 0.00 N ATOM 639 CA LYS A 41 1.443 -11.182 5.454 1.00 0.00 C ATOM 640 C LYS A 41 0.088 -11.281 4.857 1.00 0.00 C ATOM 641 O LYS A 41 -0.036 -11.701 3.711 1.00 0.00 O ATOM 642 CB LYS A 41 1.865 -12.536 6.031 1.00 0.00 C ATOM 643 CG LYS A 41 0.879 -13.096 7.044 1.00 0.00 C ATOM 644 CD LYS A 41 0.000 -14.088 6.400 1.00 0.00 C ATOM 645 CE LYS A 41 0.631 -15.369 6.001 1.00 0.00 C ATOM 646 NZ LYS A 41 0.535 -16.410 7.056 1.00 0.00 N ATOM 0 H LYS A 41 2.005 -10.440 7.327 1.00 0.00 H new ATOM 0 HA LYS A 41 2.128 -10.898 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.981 -13.250 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.841 -12.432 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.418 -13.559 7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.281 -12.288 7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.821 -14.310 7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.437 -13.631 5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.156 -15.735 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.680 -15.194 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.992 -17.284 6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.012 -16.076 7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.466 -16.601 7.266 1.00 0.00 H new ATOM 660 N GLU A 42 -0.885 -10.889 5.617 1.00 0.00 N ATOM 661 CA GLU A 42 -2.249 -10.939 5.129 1.00 0.00 C ATOM 662 C GLU A 42 -2.445 -9.931 4.006 1.00 0.00 C ATOM 663 O GLU A 42 -2.844 -10.288 2.901 1.00 0.00 O ATOM 664 CB GLU A 42 -3.238 -10.659 6.271 1.00 0.00 C ATOM 665 CG GLU A 42 -4.539 -11.440 6.156 1.00 0.00 C ATOM 666 CD GLU A 42 -5.744 -10.633 6.582 1.00 0.00 C ATOM 667 OE1 GLU A 42 -6.303 -9.903 5.736 1.00 0.00 O ATOM 668 OE2 GLU A 42 -6.135 -10.733 7.760 1.00 0.00 O ATOM 0 H GLU A 42 -0.776 -10.534 6.567 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.441 -11.939 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.761 -10.901 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.465 -9.593 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.672 -11.767 5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.474 -12.339 6.769 1.00 0.00 H new ATOM 675 N LEU A 43 -2.142 -8.666 4.292 1.00 0.00 N ATOM 676 CA LEU A 43 -2.262 -7.617 3.293 1.00 0.00 C ATOM 677 C LEU A 43 -1.362 -7.931 2.108 1.00 0.00 C ATOM 678 O LEU A 43 -1.675 -7.600 0.967 1.00 0.00 O ATOM 679 CB LEU A 43 -1.905 -6.261 3.886 1.00 0.00 C ATOM 680 CG LEU A 43 -2.510 -5.971 5.260 1.00 0.00 C ATOM 681 CD1 LEU A 43 -1.506 -6.265 6.360 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.994 -4.531 5.340 1.00 0.00 C ATOM 0 H LEU A 43 -1.814 -8.348 5.204 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.297 -7.574 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.820 -6.190 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.227 -5.483 3.193 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.370 -6.626 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.956 -6.052 7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.216 -7.315 6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.624 -5.639 6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.421 -4.345 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.155 -3.855 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.754 -4.360 4.577 1.00 0.00 H new ATOM 694 N LYS A 44 -0.238 -8.587 2.378 1.00 0.00 N ATOM 695 CA LYS A 44 0.619 -8.961 1.339 1.00 0.00 C ATOM 696 C LYS A 44 0.079 -10.072 0.497 1.00 0.00 C ATOM 697 O LYS A 44 0.074 -9.983 -0.675 1.00 0.00 O ATOM 698 CB LYS A 44 1.951 -9.409 1.940 1.00 0.00 C ATOM 699 CG LYS A 44 2.591 -8.367 2.843 1.00 0.00 C ATOM 700 CD LYS A 44 3.847 -8.906 3.511 1.00 0.00 C ATOM 701 CE LYS A 44 4.101 -8.233 4.845 1.00 0.00 C ATOM 702 NZ LYS A 44 3.949 -6.751 4.757 1.00 0.00 N ATOM 0 H LYS A 44 0.070 -8.854 3.313 1.00 0.00 H new ATOM 0 HA LYS A 44 0.735 -8.092 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.793 -10.325 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.642 -9.651 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.840 -7.481 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.877 -8.056 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.749 -9.982 3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.704 -8.751 2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.407 -8.626 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.107 -8.475 5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.721 -6.291 5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.984 -6.457 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.036 -6.471 5.169 1.00 0.00 H new ATOM 716 N GLU A 45 -0.403 -11.106 1.126 1.00 0.00 N ATOM 717 CA GLU A 45 -1.000 -12.223 0.447 1.00 0.00 C ATOM 718 C GLU A 45 -2.270 -11.768 -0.216 1.00 0.00 C ATOM 719 O GLU A 45 -2.631 -12.304 -1.254 1.00 0.00 O ATOM 720 CB GLU A 45 -1.333 -13.356 1.396 1.00 0.00 C ATOM 721 CG GLU A 45 -1.081 -14.740 0.824 1.00 0.00 C ATOM 722 CD GLU A 45 -2.158 -15.736 1.199 1.00 0.00 C ATOM 723 OE1 GLU A 45 -3.321 -15.308 1.371 1.00 0.00 O ATOM 724 OE2 GLU A 45 -1.847 -16.938 1.316 1.00 0.00 O ATOM 0 H GLU A 45 -0.392 -11.199 2.142 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.279 -12.592 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.744 -13.238 2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.382 -13.279 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.017 -14.673 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.117 -15.104 1.178 1.00 0.00 H new ATOM 731 N HIS A 46 -2.926 -10.771 0.316 1.00 0.00 N ATOM 732 CA HIS A 46 -4.151 -10.230 -0.211 1.00 0.00 C ATOM 733 C HIS A 46 -3.852 -9.262 -1.344 1.00 0.00 C ATOM 734 O HIS A 46 -4.660 -9.119 -2.267 1.00 0.00 O ATOM 735 CB HIS A 46 -4.972 -9.518 0.802 1.00 0.00 C ATOM 736 CG HIS A 46 -6.452 -9.627 0.596 1.00 0.00 C ATOM 737 ND1 HIS A 46 -7.254 -9.110 -0.297 1.00 0.00 N flip ATOM 738 CD2 HIS A 46 -7.280 -10.337 1.427 1.00 0.00 C flip ATOM 739 CE1 HIS A 46 -8.538 -9.515 -0.034 1.00 0.00 C flip ATOM 740 NE2 HIS A 46 -8.522 -10.252 1.001 1.00 0.00 N flip ATOM 0 H HIS A 46 -2.610 -10.295 1.161 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.725 -11.088 -0.562 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.726 -9.909 1.789 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.695 -8.464 0.799 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.960 -10.885 2.301 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.414 -9.252 -0.609 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.332 -10.701 1.428 1.00 0.00 H new ATOM 749 N LEU A 47 -2.694 -8.599 -1.297 1.00 0.00 N ATOM 750 CA LEU A 47 -2.326 -7.647 -2.344 1.00 0.00 C ATOM 751 C LEU A 47 -0.961 -7.024 -2.097 1.00 0.00 C ATOM 752 O LEU A 47 -0.863 -5.919 -1.562 1.00 0.00 O ATOM 753 CB LEU A 47 -3.394 -6.539 -2.439 1.00 0.00 C ATOM 754 CG LEU A 47 -3.677 -6.040 -3.853 1.00 0.00 C ATOM 755 CD1 LEU A 47 -2.524 -5.204 -4.382 1.00 0.00 C ATOM 756 CD2 LEU A 47 -3.986 -7.202 -4.788 1.00 0.00 C ATOM 0 H LEU A 47 -2.003 -8.703 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.272 -8.196 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.323 -6.912 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.076 -5.694 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.558 -5.399 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.755 -4.863 -5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.372 -4.341 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.616 -5.807 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.184 -6.820 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.133 -7.880 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.862 -7.739 -4.424 1.00 0.00 H new ATOM 768 N GLN A 48 0.071 -7.708 -2.519 1.00 0.00 N ATOM 769 CA GLN A 48 1.373 -7.179 -2.368 1.00 0.00 C ATOM 770 C GLN A 48 1.583 -6.052 -3.382 1.00 0.00 C ATOM 771 O GLN A 48 2.414 -6.163 -4.279 1.00 0.00 O ATOM 772 CB GLN A 48 2.419 -8.278 -2.600 1.00 0.00 C ATOM 773 CG GLN A 48 2.708 -9.114 -1.362 1.00 0.00 C ATOM 774 CD GLN A 48 3.982 -8.688 -0.663 1.00 0.00 C ATOM 775 OE1 GLN A 48 3.865 -7.709 0.174 1.00 0.00 O flip ATOM 776 NE2 GLN A 48 5.062 -9.244 -0.907 1.00 0.00 N flip ATOM 0 H GLN A 48 0.022 -8.624 -2.965 1.00 0.00 H new ATOM 0 HA GLN A 48 1.486 -6.790 -1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.074 -8.934 -3.399 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.346 -7.819 -2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.871 -9.032 -0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.786 -10.164 -1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.100 -10.013 -1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.913 -8.933 -0.438 1.00 0.00 H new ATOM 785 N ASP A 49 0.796 -4.996 -3.236 1.00 0.00 N ATOM 786 CA ASP A 49 0.874 -3.866 -4.158 1.00 0.00 C ATOM 787 C ASP A 49 0.693 -4.348 -5.598 1.00 0.00 C ATOM 788 O ASP A 49 1.163 -3.710 -6.537 1.00 0.00 O ATOM 789 CB ASP A 49 2.224 -3.154 -4.016 1.00 0.00 C ATOM 790 CG ASP A 49 2.208 -2.128 -2.897 1.00 0.00 C ATOM 791 OD1 ASP A 49 2.204 -2.530 -1.715 1.00 0.00 O ATOM 792 OD2 ASP A 49 2.220 -0.916 -3.201 1.00 0.00 O ATOM 0 H ASP A 49 0.101 -4.895 -2.496 1.00 0.00 H new ATOM 0 HA ASP A 49 0.077 -3.164 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.004 -3.890 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.476 -2.662 -4.956 1.00 0.00 H new ATOM 797 N ALA A 50 0.056 -5.490 -5.741 1.00 0.00 N ATOM 798 CA ALA A 50 -0.162 -6.083 -7.055 1.00 0.00 C ATOM 799 C ALA A 50 0.955 -6.884 -7.546 1.00 0.00 C ATOM 800 O ALA A 50 0.869 -7.571 -8.569 1.00 0.00 O ATOM 801 CB ALA A 50 -0.527 -5.000 -8.073 1.00 0.00 C ATOM 0 H ALA A 50 -0.323 -6.032 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.993 -6.778 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.687 -5.457 -9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.439 -4.495 -7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.285 -4.276 -8.140 1.00 0.00 H new ATOM 807 N ILE A 51 2.081 -6.812 -6.814 1.00 0.00 N ATOM 808 CA ILE A 51 3.298 -7.538 -7.182 1.00 0.00 C ATOM 809 C ILE A 51 3.474 -7.592 -8.705 1.00 0.00 C ATOM 810 O ILE A 51 3.000 -6.700 -9.403 1.00 0.00 O ATOM 811 CB ILE A 51 3.289 -8.966 -6.565 1.00 0.00 C ATOM 812 CG1 ILE A 51 4.716 -9.465 -6.350 1.00 0.00 C ATOM 813 CG2 ILE A 51 2.482 -9.950 -7.411 1.00 0.00 C ATOM 814 CD1 ILE A 51 5.164 -9.424 -4.909 1.00 0.00 C ATOM 0 H ILE A 51 2.168 -6.256 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 51 4.152 -6.997 -6.774 1.00 0.00 H new ATOM 0 HB ILE A 51 2.795 -8.903 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.792 -10.489 -6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.397 -8.861 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.503 -10.934 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.451 -9.605 -7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.916 -10.013 -8.409 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.187 -9.793 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.121 -8.398 -4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.508 -10.051 -4.306 1.00 0.00 H new ATOM 940 N GLU A 60 -10.455 -0.035 -10.310 1.00 0.00 N ATOM 941 CA GLU A 60 -11.823 0.212 -9.963 1.00 0.00 C ATOM 942 C GLU A 60 -12.020 0.019 -8.489 1.00 0.00 C ATOM 943 O GLU A 60 -11.530 -0.871 -7.912 1.00 0.00 O ATOM 944 CB GLU A 60 -12.780 -0.597 -10.770 1.00 0.00 C ATOM 945 CG GLU A 60 -14.211 -0.114 -10.788 1.00 0.00 C ATOM 946 CD GLU A 60 -15.221 -1.167 -11.048 1.00 0.00 C ATOM 947 OE1 GLU A 60 -15.005 -1.976 -11.969 1.00 0.00 O ATOM 948 OE2 GLU A 60 -16.248 -1.209 -10.324 1.00 0.00 O ATOM 0 HA GLU A 60 -12.046 1.250 -10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.417 -0.633 -11.797 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.768 -1.619 -10.392 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.434 0.354 -9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.309 0.659 -11.550 1.00 0.00 H new ATOM 955 N ASN A 61 -12.689 0.970 -7.877 1.00 0.00 N ATOM 956 CA ASN A 61 -12.934 0.956 -6.433 1.00 0.00 C ATOM 957 C ASN A 61 -11.633 0.660 -5.708 1.00 0.00 C ATOM 958 O ASN A 61 -11.048 1.546 -5.079 1.00 0.00 O ATOM 959 CB ASN A 61 -14.010 -0.040 -6.041 1.00 0.00 C ATOM 960 CG ASN A 61 -14.079 -1.183 -6.967 1.00 0.00 C ATOM 961 OD1 ASN A 61 -13.440 -2.202 -6.727 1.00 0.00 O ATOM 962 ND2 ASN A 61 -14.850 -1.058 -8.036 1.00 0.00 N ATOM 0 H ASN A 61 -13.083 1.779 -8.357 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.302 1.939 -6.141 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.815 -0.404 -5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.976 0.464 -6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.930 -1.828 -8.700 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.364 -0.191 -8.196 1.00 0.00 H new ATOM 969 N GLN A 62 -11.146 -0.483 -5.870 1.00 0.00 N ATOM 970 CA GLN A 62 -9.879 -0.850 -5.280 1.00 0.00 C ATOM 971 C GLN A 62 -8.834 0.063 -5.760 1.00 0.00 C ATOM 972 O GLN A 62 -7.876 0.367 -5.055 1.00 0.00 O ATOM 973 CB GLN A 62 -9.471 -2.276 -5.693 1.00 0.00 C ATOM 974 CG GLN A 62 -10.628 -3.264 -5.765 1.00 0.00 C ATOM 975 CD GLN A 62 -10.184 -4.640 -6.207 1.00 0.00 C ATOM 976 OE1 GLN A 62 -10.054 -5.560 -5.406 1.00 0.00 O ATOM 977 NE2 GLN A 62 -9.943 -4.786 -7.513 1.00 0.00 N ATOM 0 H GLN A 62 -11.591 -1.223 -6.414 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.987 -0.796 -4.197 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.984 -2.234 -6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.733 -2.650 -4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.103 -3.335 -4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.381 -2.888 -6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.063 -3.995 -8.145 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.639 -5.689 -7.878 1.00 0.00 H new ATOM 986 N GLU A 63 -9.052 0.580 -6.972 1.00 0.00 N ATOM 987 CA GLU A 63 -8.144 1.560 -7.537 1.00 0.00 C ATOM 988 C GLU A 63 -8.126 2.812 -6.675 1.00 0.00 C ATOM 989 O GLU A 63 -7.071 3.410 -6.441 1.00 0.00 O ATOM 990 CB GLU A 63 -8.572 1.912 -8.960 1.00 0.00 C ATOM 991 CG GLU A 63 -7.707 2.986 -9.612 1.00 0.00 C ATOM 992 CD GLU A 63 -8.163 3.318 -11.022 1.00 0.00 C ATOM 993 OE1 GLU A 63 -9.273 3.874 -11.168 1.00 0.00 O ATOM 994 OE2 GLU A 63 -7.411 3.025 -11.969 1.00 0.00 O ATOM 0 H GLU A 63 -9.842 0.335 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.141 1.135 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.541 1.011 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.608 2.252 -8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.733 3.889 -9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.671 2.648 -9.638 1.00 0.00 H new ATOM 1001 N LYS A 64 -9.303 3.218 -6.213 1.00 0.00 N ATOM 1002 CA LYS A 64 -9.431 4.402 -5.393 1.00 0.00 C ATOM 1003 C LYS A 64 -8.934 4.148 -3.979 1.00 0.00 C ATOM 1004 O LYS A 64 -8.053 4.841 -3.504 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.875 4.885 -5.360 1.00 0.00 C ATOM 1006 CG LYS A 64 -11.429 5.242 -6.739 1.00 0.00 C ATOM 1007 CD LYS A 64 -12.408 4.196 -7.233 1.00 0.00 C ATOM 1008 CE LYS A 64 -13.769 4.346 -6.579 1.00 0.00 C ATOM 1009 NZ LYS A 64 -14.859 3.743 -7.391 1.00 0.00 N ATOM 0 H LYS A 64 -10.183 2.737 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.812 5.180 -5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.499 4.110 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.943 5.759 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.924 6.212 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.607 5.337 -7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.513 4.279 -8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.013 3.201 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.750 3.876 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.979 5.404 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.713 4.332 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.561 3.688 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.066 2.787 -7.039 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.493 3.148 -3.308 1.00 0.00 N ATOM 1024 CA GLY A 65 -9.054 2.853 -1.956 1.00 0.00 C ATOM 1025 C GLY A 65 -7.565 2.635 -1.880 1.00 0.00 C ATOM 1026 O GLY A 65 -6.938 2.942 -0.865 1.00 0.00 O ATOM 0 H GLY A 65 -10.232 2.544 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.334 3.675 -1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.569 1.964 -1.594 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.991 2.106 -2.950 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.566 1.866 -2.989 1.00 0.00 C ATOM 1032 C ALA A 66 -4.808 3.158 -3.234 1.00 0.00 C ATOM 1033 O ALA A 66 -4.081 3.632 -2.357 1.00 0.00 O ATOM 1034 CB ALA A 66 -5.219 0.828 -4.050 1.00 0.00 C ATOM 0 H ALA A 66 -7.492 1.837 -3.797 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.264 1.473 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.141 0.664 -4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.726 -0.109 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.541 1.186 -5.028 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.990 3.759 -4.408 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.313 5.011 -4.726 1.00 0.00 C ATOM 1042 C TYR A 67 -4.538 6.010 -3.605 1.00 0.00 C ATOM 1043 O TYR A 67 -3.609 6.677 -3.149 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.788 5.577 -6.065 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.672 6.174 -6.900 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.821 7.137 -6.381 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.481 5.775 -8.222 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.805 7.683 -7.141 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.470 6.315 -8.986 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.640 7.272 -8.447 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.635 7.814 -9.211 1.00 0.00 O ATOM 0 H TYR A 67 -5.595 3.402 -5.148 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.245 4.815 -4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.272 4.784 -6.634 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.542 6.342 -5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.955 7.467 -5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.135 5.032 -8.653 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.146 8.425 -6.716 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.329 5.988 -10.006 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.074 7.096 -9.571 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.779 6.098 -3.129 1.00 0.00 N ATOM 1062 CA ARG A 68 -6.102 6.992 -2.032 1.00 0.00 C ATOM 1063 C ARG A 68 -5.146 6.755 -0.875 1.00 0.00 C ATOM 1064 O ARG A 68 -4.637 7.690 -0.269 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.542 6.778 -1.564 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.103 7.936 -0.755 1.00 0.00 C ATOM 1067 CD ARG A 68 -9.132 7.461 0.189 1.00 0.00 C ATOM 1068 NE ARG A 68 -9.071 8.227 1.419 1.00 0.00 N ATOM 1069 CZ ARG A 68 -9.979 8.147 2.387 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -11.025 7.341 2.253 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -9.847 8.878 3.478 1.00 0.00 N ATOM 0 H ARG A 68 -6.569 5.562 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.001 8.019 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.177 6.614 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.587 5.871 -0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.299 8.427 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.533 8.680 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.121 7.557 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.980 6.403 0.402 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.285 8.864 1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.133 6.782 1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.721 7.281 2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.048 9.504 3.579 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.544 8.817 4.220 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.889 5.475 -0.605 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.974 5.111 0.374 1.00 0.00 C ATOM 1087 C VAL A 69 -2.535 5.406 0.011 1.00 0.00 C ATOM 1088 O VAL A 69 -1.675 5.658 0.830 1.00 0.00 O ATOM 1089 CB VAL A 69 -4.123 3.632 0.770 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -3.037 3.217 1.757 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.506 3.369 1.340 1.00 0.00 C ATOM 0 H VAL A 69 -5.332 4.690 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.217 5.739 1.231 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.004 3.026 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.166 2.167 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.057 3.359 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.110 3.828 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.593 2.318 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.659 3.988 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.260 3.612 0.592 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.264 5.385 -1.247 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.921 5.666 -1.725 1.00 0.00 C ATOM 1103 C ILE A 70 -0.645 7.161 -1.698 1.00 0.00 C ATOM 1104 O ILE A 70 0.379 7.591 -1.393 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.665 5.091 -3.148 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.717 4.736 -3.303 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -1.074 6.076 -4.239 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.089 3.405 -2.685 1.00 0.00 C ATOM 0 H ILE A 70 -2.944 5.178 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.231 5.164 -1.047 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.281 4.198 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.957 4.710 -4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.333 5.516 -2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.879 5.637 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.137 6.300 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.499 6.996 -4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.150 3.213 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.884 3.431 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.502 2.612 -3.148 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.671 7.948 -1.997 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.553 9.394 -1.993 1.00 0.00 C ATOM 1122 C GLU A 71 -1.504 9.895 -0.560 1.00 0.00 C ATOM 1123 O GLU A 71 -0.831 10.889 -0.260 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.709 10.049 -2.728 1.00 0.00 C ATOM 1125 CG GLU A 71 -4.074 9.662 -2.170 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.216 10.321 -2.916 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.580 11.465 -2.561 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.754 9.702 -3.862 1.00 0.00 O ATOM 0 H GLU A 71 -2.598 7.603 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.632 9.661 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.597 11.132 -2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.663 9.774 -3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.189 8.579 -2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.124 9.940 -1.117 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.218 9.211 0.239 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.243 9.600 1.643 1.00 0.00 C ATOM 1137 C HIS A 72 -0.924 9.249 2.319 1.00 0.00 C ATOM 1138 O HIS A 72 -0.357 10.064 3.046 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.417 8.927 2.363 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.529 9.337 3.801 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -4.695 9.820 4.356 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -2.609 9.325 4.780 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -4.484 10.095 5.630 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -3.231 9.803 5.920 1.00 0.00 N ATOM 0 H HIS A 72 -2.785 8.401 -0.012 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.378 10.680 1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.344 9.174 1.846 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.300 7.845 2.307 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.581 9.004 4.694 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.215 10.492 6.319 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.792 9.912 6.834 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.433 8.038 2.064 1.00 0.00 N ATOM 1154 CA LEU A 73 0.746 7.611 2.654 1.00 0.00 C ATOM 1155 C LEU A 73 1.903 8.362 1.997 1.00 0.00 C ATOM 1156 O LEU A 73 2.845 8.784 2.676 1.00 0.00 O ATOM 1157 CB LEU A 73 0.929 6.103 2.467 1.00 0.00 C ATOM 1158 CG LEU A 73 0.333 5.230 3.581 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -1.043 5.584 3.807 1.00 0.00 C ATOM 1160 CD2 LEU A 73 0.469 3.757 3.232 1.00 0.00 C ATOM 0 H LEU A 73 -0.869 7.359 1.440 1.00 0.00 H new ATOM 0 HA LEU A 73 0.717 7.814 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.477 5.813 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.995 5.889 2.390 1.00 0.00 H new ATOM 0 HG LEU A 73 0.886 5.409 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.454 4.958 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.105 6.631 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.613 5.431 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.042 3.153 4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.060 3.553 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.523 3.507 3.112 1.00 0.00 H new ATOM 1172 N ILE A 74 1.811 8.537 0.680 1.00 0.00 N ATOM 1173 CA ILE A 74 2.836 9.255 -0.002 1.00 0.00 C ATOM 1174 C ILE A 74 3.100 10.615 0.557 1.00 0.00 C ATOM 1175 O ILE A 74 4.254 10.984 0.797 1.00 0.00 O ATOM 1176 CB ILE A 74 2.442 9.424 -1.465 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.878 8.202 -2.277 1.00 0.00 C ATOM 1178 CG2 ILE A 74 3.037 10.687 -2.070 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.096 8.005 -3.562 1.00 0.00 C ATOM 0 H ILE A 74 1.050 8.194 0.094 1.00 0.00 H new ATOM 0 HA ILE A 74 3.746 8.667 0.119 1.00 0.00 H new ATOM 0 HB ILE A 74 1.357 9.516 -1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.937 8.298 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.772 7.311 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.732 10.769 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.682 11.557 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.124 10.640 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.464 7.119 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.039 7.876 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.222 8.878 -4.202 1.00 0.00 H new ATOM 1191 N LYS A 75 2.037 11.362 0.836 1.00 0.00 N ATOM 1192 CA LYS A 75 2.148 12.666 1.438 1.00 0.00 C ATOM 1193 C LYS A 75 2.454 12.559 2.923 1.00 0.00 C ATOM 1194 O LYS A 75 3.187 13.387 3.472 1.00 0.00 O ATOM 1195 CB LYS A 75 0.853 13.438 1.212 1.00 0.00 C ATOM 1196 CG LYS A 75 0.438 13.521 -0.175 1.00 0.00 C ATOM 1197 CD LYS A 75 0.910 14.821 -0.797 1.00 0.00 C ATOM 1198 CE LYS A 75 2.423 14.898 -0.855 1.00 0.00 C ATOM 1199 NZ LYS A 75 2.983 15.670 0.203 1.00 0.00 N ATOM 0 H LYS A 75 1.078 11.071 0.647 1.00 0.00 H new ATOM 0 HA LYS A 75 2.974 13.201 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.058 12.966 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.974 14.448 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.843 12.677 -0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.648 13.454 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.502 14.912 -1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.525 15.662 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.834 13.889 -0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.723 15.329 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.368 16.557 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.245 15.887 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.745 15.130 0.661 1.00 0.00 H new ATOM 1213 N ASN A 76 1.912 11.545 3.574 1.00 0.00 N ATOM 1214 CA ASN A 76 2.136 11.336 4.998 1.00 0.00 C ATOM 1215 C ASN A 76 3.635 11.329 5.286 1.00 0.00 C ATOM 1216 O ASN A 76 4.089 11.934 6.264 1.00 0.00 O ATOM 1217 CB ASN A 76 1.504 10.031 5.466 1.00 0.00 C ATOM 1218 CG ASN A 76 0.523 10.243 6.594 1.00 0.00 C ATOM 1219 OD1 ASN A 76 -0.558 9.836 6.506 1.00 0.00 O ATOM 1220 ND2 ASN A 76 0.971 10.886 7.660 1.00 0.00 N ATOM 0 H ASN A 76 1.309 10.848 3.138 1.00 0.00 H new ATOM 0 HA ASN A 76 1.666 12.152 5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.994 9.556 4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.287 9.347 5.792 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.354 11.044 8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.933 11.224 7.685 1.00 0.00 H new ATOM 1227 N GLU A 77 4.396 10.667 4.426 1.00 0.00 N ATOM 1228 CA GLU A 77 5.845 10.603 4.585 1.00 0.00 C ATOM 1229 C GLU A 77 6.478 9.720 3.531 1.00 0.00 C ATOM 1230 O GLU A 77 7.506 9.078 3.780 1.00 0.00 O ATOM 1231 CB GLU A 77 6.227 10.117 5.986 1.00 0.00 C ATOM 1232 CG GLU A 77 6.634 11.239 6.924 1.00 0.00 C ATOM 1233 CD GLU A 77 8.126 11.223 7.235 1.00 0.00 C ATOM 1234 OE1 GLU A 77 8.910 11.733 6.405 1.00 0.00 O ATOM 1235 OE2 GLU A 77 8.504 10.703 8.299 1.00 0.00 O ATOM 0 H GLU A 77 4.037 10.167 3.612 1.00 0.00 H new ATOM 0 HA GLU A 77 6.229 11.615 4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.383 9.580 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.049 9.406 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.369 12.197 6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.071 11.154 7.853 1.00 0.00 H new ATOM 1242 N ILE A 78 5.873 9.711 2.355 1.00 0.00 N ATOM 1243 CA ILE A 78 6.341 8.927 1.213 1.00 0.00 C ATOM 1244 C ILE A 78 7.162 7.719 1.644 1.00 0.00 C ATOM 1245 O ILE A 78 8.159 7.357 1.007 1.00 0.00 O ATOM 1246 CB ILE A 78 7.155 9.798 0.233 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.644 8.964 -0.866 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.315 10.484 0.936 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.283 9.575 -2.203 1.00 0.00 C ATOM 0 H ILE A 78 5.032 10.253 2.159 1.00 0.00 H new ATOM 0 HA ILE A 78 5.451 8.561 0.701 1.00 0.00 H new ATOM 0 HB ILE A 78 6.504 10.578 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.726 8.853 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.215 7.965 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.868 11.090 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.932 11.123 1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.978 9.732 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.656 8.939 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.199 9.662 -2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.733 10.564 -2.285 1.00 0.00 H new ATOM 1261 N GLU A 79 6.729 7.073 2.715 1.00 0.00 N ATOM 1262 CA GLU A 79 7.399 5.890 3.199 1.00 0.00 C ATOM 1263 C GLU A 79 7.003 4.696 2.351 1.00 0.00 C ATOM 1264 O GLU A 79 7.586 3.613 2.458 1.00 0.00 O ATOM 1265 CB GLU A 79 7.059 5.641 4.673 1.00 0.00 C ATOM 1266 CG GLU A 79 7.159 6.891 5.533 1.00 0.00 C ATOM 1267 CD GLU A 79 7.279 6.566 7.013 1.00 0.00 C ATOM 1268 OE1 GLU A 79 7.821 5.492 7.345 1.00 0.00 O ATOM 1269 OE2 GLU A 79 6.827 7.388 7.844 1.00 0.00 O ATOM 0 H GLU A 79 5.915 7.353 3.262 1.00 0.00 H new ATOM 0 HA GLU A 79 8.476 6.038 3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.048 5.240 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.731 4.880 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.024 7.476 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.279 7.513 5.370 1.00 0.00 H new ATOM 1276 N ILE A 80 6.000 4.910 1.504 1.00 0.00 N ATOM 1277 CA ILE A 80 5.500 3.871 0.613 1.00 0.00 C ATOM 1278 C ILE A 80 6.625 3.264 -0.133 1.00 0.00 C ATOM 1279 O ILE A 80 6.886 2.064 -0.046 1.00 0.00 O ATOM 1280 CB ILE A 80 4.412 4.448 -0.236 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.236 4.945 0.505 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.955 3.416 -1.262 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.088 5.442 -0.256 1.00 0.00 C ATOM 0 H ILE A 80 5.515 5.803 1.417 1.00 0.00 H new ATOM 0 HA ILE A 80 5.050 3.046 1.164 1.00 0.00 H new ATOM 0 HB ILE A 80 4.856 5.321 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.883 4.138 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.572 5.749 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.162 3.841 -1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.796 3.136 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.579 2.532 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.309 5.770 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.399 6.282 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.700 4.645 -0.891 1.00 0.00 H new ATOM 1295 N TRP A 81 7.280 4.089 -0.934 1.00 0.00 N ATOM 1296 CA TRP A 81 8.378 3.626 -1.782 1.00 0.00 C ATOM 1297 C TRP A 81 9.356 2.764 -0.994 1.00 0.00 C ATOM 1298 O TRP A 81 9.954 1.830 -1.530 1.00 0.00 O ATOM 1299 CB TRP A 81 9.098 4.814 -2.423 1.00 0.00 C ATOM 1300 CG TRP A 81 8.181 5.748 -3.145 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.463 7.027 -3.544 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.830 5.500 -3.544 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.377 7.576 -4.166 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.359 6.665 -4.177 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.963 4.405 -3.434 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 5.069 6.770 -4.687 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.684 4.514 -3.948 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.245 5.684 -4.564 1.00 0.00 C ATOM 0 H TRP A 81 7.074 5.084 -1.018 1.00 0.00 H new ATOM 0 HA TRP A 81 7.955 3.009 -2.575 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.631 5.366 -1.649 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.847 4.441 -3.121 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.407 7.529 -3.390 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.333 8.516 -4.559 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.288 3.492 -2.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.729 7.678 -5.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 4.010 3.673 -3.870 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.238 5.735 -4.951 1.00 0.00 H new ATOM 1319 N ARG A 82 9.499 3.067 0.213 1.00 0.00 N ATOM 1320 CA ARG A 82 10.395 2.305 1.070 1.00 0.00 C ATOM 1321 C ARG A 82 9.988 0.835 1.097 1.00 0.00 C ATOM 1322 O ARG A 82 10.829 0.010 0.984 1.00 0.00 O ATOM 1323 CB ARG A 82 10.388 2.885 2.490 1.00 0.00 C ATOM 1324 CG ARG A 82 11.778 3.179 3.027 1.00 0.00 C ATOM 1325 CD ARG A 82 12.085 4.668 2.986 1.00 0.00 C ATOM 1326 NE ARG A 82 13.322 4.984 3.702 1.00 0.00 N ATOM 1327 CZ ARG A 82 14.013 6.111 3.505 1.00 0.00 C ATOM 1328 NH1 ARG A 82 13.595 7.015 2.639 1.00 0.00 N ATOM 1329 NH2 ARG A 82 15.133 6.320 4.198 1.00 0.00 N ATOM 0 H ARG A 82 9.019 3.840 0.674 1.00 0.00 H new ATOM 0 HA ARG A 82 11.405 2.375 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.802 3.804 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.889 2.184 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.858 2.818 4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.519 2.637 2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.171 4.994 1.949 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.257 5.223 3.427 1.00 0.00 H new ATOM 0 HE ARG A 82 13.673 4.312 4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.736 6.857 2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.131 7.871 2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.454 5.623 4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.668 7.176 4.056 1.00 0.00 H new ATOM 1343 N GLU A 83 8.690 0.588 1.243 1.00 0.00 N ATOM 1344 CA GLU A 83 8.172 -0.688 1.264 1.00 0.00 C ATOM 1345 C GLU A 83 7.973 -1.212 -0.062 1.00 0.00 C ATOM 1346 O GLU A 83 8.085 -2.412 -0.313 1.00 0.00 O ATOM 1347 CB GLU A 83 6.853 -0.734 2.041 1.00 0.00 C ATOM 1348 CG GLU A 83 5.841 0.225 1.594 1.00 0.00 C ATOM 1349 CD GLU A 83 4.446 0.007 2.140 1.00 0.00 C ATOM 1350 OE1 GLU A 83 4.180 -1.103 2.543 1.00 0.00 O ATOM 1351 OE2 GLU A 83 3.636 0.913 2.171 1.00 0.00 O ATOM 0 H GLU A 83 7.988 1.320 1.349 1.00 0.00 H new ATOM 0 HA GLU A 83 8.906 -1.315 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.438 -1.739 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.063 -0.554 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.168 1.227 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.794 0.196 0.505 1.00 0.00 H new ATOM 1358 N LEU A 84 7.701 -0.299 -0.983 1.00 0.00 N ATOM 1359 CA LEU A 84 7.492 -0.651 -2.378 1.00 0.00 C ATOM 1360 C LEU A 84 8.801 -1.127 -3.012 1.00 0.00 C ATOM 1361 O LEU A 84 8.796 -1.862 -3.993 1.00 0.00 O ATOM 1362 CB LEU A 84 6.920 0.447 -3.152 1.00 0.00 C ATOM 1363 CG LEU A 84 5.398 0.579 -3.119 1.00 0.00 C ATOM 1364 CD1 LEU A 84 4.754 -0.302 -4.103 1.00 0.00 C ATOM 1365 CD2 LEU A 84 4.866 0.332 -1.708 1.00 0.00 C ATOM 0 H LEU A 84 7.620 0.698 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 84 6.768 -1.465 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.352 1.381 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.231 0.332 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 84 5.145 1.602 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.672 -0.179 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.099 -0.043 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.013 -1.339 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.780 0.431 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.140 -0.673 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.298 1.062 -1.023 1.00 0.00 H new ATOM 1377 N THR A 85 9.917 -0.699 -2.433 1.00 0.00 N ATOM 1378 CA THR A 85 11.227 -1.099 -2.935 1.00 0.00 C ATOM 1379 C THR A 85 11.650 -2.414 -2.281 1.00 0.00 C ATOM 1380 O THR A 85 12.302 -3.248 -2.908 1.00 0.00 O ATOM 1381 CB THR A 85 12.263 -0.015 -2.673 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.490 -0.320 -3.299 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.546 0.145 -1.202 1.00 0.00 C ATOM 0 H THR A 85 9.942 -0.080 -1.622 1.00 0.00 H new ATOM 0 HA THR A 85 11.159 -1.243 -4.013 1.00 0.00 H new ATOM 0 HB THR A 85 11.841 0.905 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.137 0.393 -3.116 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.290 0.928 -1.058 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.627 0.417 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.925 -0.795 -0.800 1.00 0.00 H new ATOM 1391 N ALA A 86 11.265 -2.578 -1.020 1.00 0.00 N ATOM 1392 CA ALA A 86 11.587 -3.790 -0.276 1.00 0.00 C ATOM 1393 C ALA A 86 10.759 -4.971 -0.783 1.00 0.00 C ATOM 1394 O ALA A 86 11.196 -6.111 -0.747 1.00 0.00 O ATOM 1395 CB ALA A 86 11.364 -3.572 1.126 1.00 0.00 C ATOM 0 H ALA A 86 10.730 -1.888 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 86 12.639 -4.031 -0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.606 -4.480 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.999 -2.756 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.318 -3.314 1.292 1.00 0.00 H new ATOM 1401 N LYS A 87 9.551 -4.662 -1.267 1.00 0.00 N ATOM 1402 CA LYS A 87 8.657 -5.667 -1.795 1.00 0.00 C ATOM 1403 C LYS A 87 8.266 -5.306 -3.228 1.00 0.00 C ATOM 1404 O LYS A 87 8.321 -4.152 -3.618 1.00 0.00 O ATOM 1405 CB LYS A 87 7.408 -5.786 -0.922 1.00 0.00 C ATOM 1406 CG LYS A 87 7.643 -6.537 0.322 1.00 0.00 C ATOM 1407 CD LYS A 87 7.399 -5.650 1.508 1.00 0.00 C ATOM 1408 CE LYS A 87 6.059 -5.958 2.158 1.00 0.00 C ATOM 1409 NZ LYS A 87 4.937 -5.261 1.477 1.00 0.00 N ATOM 0 H LYS A 87 9.179 -3.713 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 87 9.169 -6.629 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.049 -4.787 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.619 -6.276 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.984 -7.404 0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.666 -6.913 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.199 -5.784 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.423 -4.606 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.884 -7.034 2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.088 -5.661 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.375 -4.739 2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.317 -4.596 0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.332 -5.960 1.000 1.00 0.00 H new ATOM 1423 N TYR A 88 7.879 -6.312 -3.993 1.00 0.00 N ATOM 1424 CA TYR A 88 7.485 -6.111 -5.387 1.00 0.00 C ATOM 1425 C TYR A 88 8.642 -5.556 -6.224 1.00 0.00 C ATOM 1426 O TYR A 88 8.458 -5.220 -7.390 1.00 0.00 O ATOM 1427 CB TYR A 88 6.269 -5.171 -5.496 1.00 0.00 C ATOM 1428 CG TYR A 88 5.598 -4.872 -4.167 1.00 0.00 C ATOM 1429 CD1 TYR A 88 4.972 -5.879 -3.439 1.00 0.00 C ATOM 1430 CD2 TYR A 88 5.590 -3.586 -3.644 1.00 0.00 C ATOM 1431 CE1 TYR A 88 4.366 -5.613 -2.229 1.00 0.00 C ATOM 1432 CE2 TYR A 88 4.979 -3.309 -2.437 1.00 0.00 C ATOM 1433 CZ TYR A 88 4.368 -4.326 -1.738 1.00 0.00 C ATOM 1434 OH TYR A 88 3.761 -4.057 -0.525 1.00 0.00 O ATOM 0 H TYR A 88 7.827 -7.280 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 88 7.209 -7.089 -5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 88 6.588 -4.233 -5.950 1.00 0.00 H new ATOM 0 HB3 TYR A 88 5.537 -5.618 -6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.960 -6.886 -3.828 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.070 -2.788 -4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.894 -6.408 -1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.980 -2.303 -2.044 1.00 0.00 H new ATOM 0 HH TYR A 88 3.290 -3.199 -0.578 1.00 0.00 H new ATOM 1444 N ASP A 89 9.834 -5.478 -5.635 1.00 0.00 N ATOM 1445 CA ASP A 89 10.999 -4.983 -6.349 1.00 0.00 C ATOM 1446 C ASP A 89 11.279 -5.854 -7.576 1.00 0.00 C ATOM 1447 O ASP A 89 11.277 -5.364 -8.704 1.00 0.00 O ATOM 1448 CB ASP A 89 12.221 -4.957 -5.427 1.00 0.00 C ATOM 1449 CG ASP A 89 12.988 -3.662 -5.527 1.00 0.00 C ATOM 1450 OD1 ASP A 89 12.364 -2.618 -5.817 1.00 0.00 O ATOM 1451 OD2 ASP A 89 14.224 -3.683 -5.316 1.00 0.00 O ATOM 0 H ASP A 89 10.013 -5.751 -4.669 1.00 0.00 H new ATOM 0 HA ASP A 89 10.794 -3.965 -6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.899 -5.107 -4.397 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.881 -5.787 -5.679 1.00 0.00 H new ATOM 1456 N PRO A 90 11.515 -7.169 -7.358 1.00 0.00 N ATOM 1457 CA PRO A 90 11.787 -8.110 -8.444 1.00 0.00 C ATOM 1458 C PRO A 90 10.994 -7.813 -9.701 1.00 0.00 C ATOM 1459 O PRO A 90 11.540 -7.795 -10.802 1.00 0.00 O ATOM 1460 CB PRO A 90 11.339 -9.452 -7.863 1.00 0.00 C ATOM 1461 CG PRO A 90 11.192 -9.263 -6.387 1.00 0.00 C ATOM 1462 CD PRO A 90 11.543 -7.835 -6.057 1.00 0.00 C ATOM 0 HA PRO A 90 12.832 -8.070 -8.750 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.395 -9.768 -8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.071 -10.230 -8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.171 -9.485 -6.075 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.846 -9.949 -5.849 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.825 -7.395 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 90 12.524 -7.761 -5.589 1.00 0.00 H new ATOM 1470 N THR A 91 9.696 -7.570 -9.535 1.00 0.00 N ATOM 1471 CA THR A 91 8.830 -7.266 -10.643 1.00 0.00 C ATOM 1472 C THR A 91 7.445 -6.906 -10.153 1.00 0.00 C ATOM 1473 O THR A 91 6.669 -7.748 -9.709 1.00 0.00 O ATOM 1474 CB THR A 91 8.744 -8.394 -11.673 1.00 0.00 C ATOM 1475 OG1 THR A 91 7.397 -8.754 -11.920 1.00 0.00 O ATOM 1476 CG2 THR A 91 9.494 -9.657 -11.295 1.00 0.00 C ATOM 0 H THR A 91 9.228 -7.581 -8.629 1.00 0.00 H new ATOM 0 HA THR A 91 9.276 -6.410 -11.150 1.00 0.00 H new ATOM 0 HB THR A 91 9.220 -7.979 -12.561 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.367 -9.476 -12.582 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.376 -10.400 -12.084 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.552 -9.428 -11.168 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.093 -10.052 -10.362 1.00 0.00 H new ATOM 1484 N GLY A 92 7.171 -5.636 -10.246 1.00 0.00 N ATOM 1485 CA GLY A 92 5.893 -5.096 -9.834 1.00 0.00 C ATOM 1486 C GLY A 92 5.049 -4.636 -10.999 1.00 0.00 C ATOM 1487 O GLY A 92 4.108 -5.319 -11.401 1.00 0.00 O ATOM 0 H GLY A 92 7.823 -4.940 -10.609 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.347 -5.854 -9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.059 -4.257 -9.158 1.00 0.00 H new ATOM 1491 N ASN A 93 5.396 -3.477 -11.561 1.00 0.00 N ATOM 1492 CA ASN A 93 4.690 -2.899 -12.692 1.00 0.00 C ATOM 1493 C ASN A 93 3.346 -2.313 -12.283 1.00 0.00 C ATOM 1494 O ASN A 93 2.317 -2.560 -12.911 1.00 0.00 O ATOM 1495 CB ASN A 93 4.502 -3.959 -13.772 1.00 0.00 C ATOM 1496 CG ASN A 93 3.882 -3.409 -15.038 1.00 0.00 C ATOM 1497 OD1 ASN A 93 4.518 -2.643 -15.764 1.00 0.00 O ATOM 1498 ND2 ASN A 93 2.642 -3.788 -15.309 1.00 0.00 N ATOM 0 H ASN A 93 6.182 -2.913 -11.237 1.00 0.00 H new ATOM 0 HA ASN A 93 5.292 -2.080 -13.084 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.469 -4.403 -14.010 1.00 0.00 H new ATOM 0 HB3 ASN A 93 3.872 -4.759 -13.383 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.175 -3.444 -16.148 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.154 -4.424 -14.679 1.00 0.00 H new ATOM 1505 N TRP A 94 3.372 -1.526 -11.215 1.00 0.00 N ATOM 1506 CA TRP A 94 2.175 -0.870 -10.698 1.00 0.00 C ATOM 1507 C TRP A 94 2.585 0.253 -9.857 1.00 0.00 C ATOM 1508 O TRP A 94 2.031 1.341 -9.992 1.00 0.00 O ATOM 1509 CB TRP A 94 1.340 -1.839 -9.853 1.00 0.00 C ATOM 1510 CG TRP A 94 1.205 -3.195 -10.477 1.00 0.00 C ATOM 1511 CD1 TRP A 94 1.995 -4.281 -10.237 1.00 0.00 C ATOM 1512 CD2 TRP A 94 0.245 -3.614 -11.446 1.00 0.00 C ATOM 1513 NE1 TRP A 94 1.577 -5.344 -11.005 1.00 0.00 N ATOM 1514 CE2 TRP A 94 0.505 -4.960 -11.746 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -0.755 -2.974 -12.078 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 -0.191 -5.683 -12.661 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -1.508 -3.699 -12.986 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -1.227 -5.038 -13.269 1.00 0.00 C ATOM 0 H TRP A 94 4.219 -1.324 -10.684 1.00 0.00 H new ATOM 0 HA TRP A 94 1.570 -0.529 -11.538 1.00 0.00 H new ATOM 0 HB2 TRP A 94 1.798 -1.942 -8.869 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.347 -1.416 -9.699 1.00 0.00 H new ATOM 0 HD1 TRP A 94 2.825 -4.303 -9.547 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.003 -6.271 -11.016 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.963 -1.932 -11.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 0.061 -6.707 -12.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.334 -3.217 -13.488 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -1.840 -5.571 -13.981 1.00 0.00 H new ATOM 1529 N ARG A 95 3.591 0.043 -9.007 1.00 0.00 N ATOM 1530 CA ARG A 95 4.109 1.101 -8.161 1.00 0.00 C ATOM 1531 C ARG A 95 4.503 2.306 -9.011 1.00 0.00 C ATOM 1532 O ARG A 95 4.506 3.440 -8.539 1.00 0.00 O ATOM 1533 CB ARG A 95 5.310 0.608 -7.359 1.00 0.00 C ATOM 1534 CG ARG A 95 5.960 1.677 -6.498 1.00 0.00 C ATOM 1535 CD ARG A 95 7.446 1.801 -6.792 1.00 0.00 C ATOM 1536 NE ARG A 95 8.227 2.040 -5.579 1.00 0.00 N ATOM 1537 CZ ARG A 95 9.553 2.003 -5.535 1.00 0.00 C ATOM 1538 NH1 ARG A 95 10.258 1.730 -6.634 1.00 0.00 N ATOM 1539 NH2 ARG A 95 10.189 2.236 -4.396 1.00 0.00 N ATOM 0 H ARG A 95 4.060 -0.856 -8.891 1.00 0.00 H new ATOM 0 HA ARG A 95 3.327 1.400 -7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.993 -0.216 -6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.054 0.209 -8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.472 2.635 -6.675 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.815 1.435 -5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.797 0.889 -7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.609 2.618 -7.495 1.00 0.00 H new ATOM 0 HE ARG A 95 7.723 2.247 -4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.778 1.548 -7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.277 1.703 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.659 2.445 -3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.208 2.207 -4.366 1.00 0.00 H new ATOM 1553 N LYS A 96 4.828 2.047 -10.285 1.00 0.00 N ATOM 1554 CA LYS A 96 5.214 3.121 -11.191 1.00 0.00 C ATOM 1555 C LYS A 96 4.104 4.162 -11.280 1.00 0.00 C ATOM 1556 O LYS A 96 4.373 5.366 -11.285 1.00 0.00 O ATOM 1557 CB LYS A 96 5.515 2.561 -12.586 1.00 0.00 C ATOM 1558 CG LYS A 96 4.381 1.730 -13.168 1.00 0.00 C ATOM 1559 CD LYS A 96 4.910 0.602 -14.042 1.00 0.00 C ATOM 1560 CE LYS A 96 5.011 1.027 -15.501 1.00 0.00 C ATOM 1561 NZ LYS A 96 5.922 2.192 -15.672 1.00 0.00 N ATOM 0 H LYS A 96 4.830 1.116 -10.701 1.00 0.00 H new ATOM 0 HA LYS A 96 6.114 3.595 -10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.731 3.389 -13.261 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.415 1.948 -12.536 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.780 1.314 -12.359 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.724 2.370 -13.756 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.892 0.292 -13.683 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.252 -0.263 -13.959 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.373 0.191 -16.100 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.020 1.282 -15.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.208 2.265 -16.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.429 3.063 -15.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.766 2.063 -15.078 1.00 0.00 H new ATOM 1575 N LYS A 97 2.865 3.704 -11.332 1.00 0.00 N ATOM 1576 CA LYS A 97 1.723 4.601 -11.382 1.00 0.00 C ATOM 1577 C LYS A 97 1.641 5.380 -10.086 1.00 0.00 C ATOM 1578 O LYS A 97 1.529 6.616 -10.082 1.00 0.00 O ATOM 1579 CB LYS A 97 0.445 3.812 -11.623 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.739 4.518 -11.155 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.913 4.279 -12.098 1.00 0.00 C ATOM 1582 CE LYS A 97 -2.183 5.494 -12.967 1.00 0.00 C ATOM 1583 NZ LYS A 97 -1.535 5.379 -14.303 1.00 0.00 N ATOM 0 H LYS A 97 2.624 2.713 -11.341 1.00 0.00 H new ATOM 0 HA LYS A 97 1.845 5.302 -12.208 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.344 3.605 -12.688 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.515 2.849 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.997 4.181 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.530 5.586 -11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.703 3.417 -12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.804 4.039 -11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.259 5.616 -13.095 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.818 6.389 -12.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.744 6.229 -14.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.506 5.288 -14.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.902 4.540 -14.796 1.00 0.00 H new ATOM 1597 N TYR A 98 1.716 4.660 -8.972 1.00 0.00 N ATOM 1598 CA TYR A 98 1.670 5.266 -7.655 1.00 0.00 C ATOM 1599 C TYR A 98 2.870 6.193 -7.449 1.00 0.00 C ATOM 1600 O TYR A 98 2.812 7.123 -6.652 1.00 0.00 O ATOM 1601 CB TYR A 98 1.648 4.178 -6.583 1.00 0.00 C ATOM 1602 CG TYR A 98 0.321 3.504 -6.387 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.721 3.856 -7.140 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.175 2.499 -5.431 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.937 3.225 -6.944 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.963 1.874 -5.234 1.00 0.00 C ATOM 1607 CZ TYR A 98 -2.053 2.241 -5.994 1.00 0.00 C ATOM 1608 OH TYR A 98 -3.258 1.619 -5.800 1.00 0.00 O ATOM 0 H TYR A 98 1.810 3.644 -8.961 1.00 0.00 H new ATOM 0 HA TYR A 98 0.760 5.861 -7.574 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.388 3.421 -6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.958 4.617 -5.635 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.618 4.623 -7.893 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.030 2.225 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.794 3.507 -7.538 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.043 1.091 -4.494 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.144 0.650 -5.892 1.00 0.00 H new ATOM 1618 N GLU A 99 3.953 5.926 -8.181 1.00 0.00 N ATOM 1619 CA GLU A 99 5.156 6.741 -8.075 1.00 0.00 C ATOM 1620 C GLU A 99 5.094 7.929 -9.027 1.00 0.00 C ATOM 1621 O GLU A 99 5.643 8.991 -8.749 1.00 0.00 O ATOM 1622 CB GLU A 99 6.398 5.892 -8.361 1.00 0.00 C ATOM 1623 CG GLU A 99 7.177 5.518 -7.120 1.00 0.00 C ATOM 1624 CD GLU A 99 8.177 6.587 -6.712 1.00 0.00 C ATOM 1625 OE1 GLU A 99 7.895 7.784 -6.952 1.00 0.00 O ATOM 1626 OE2 GLU A 99 9.233 6.232 -6.149 1.00 0.00 O ATOM 0 H GLU A 99 4.018 5.157 -8.848 1.00 0.00 H new ATOM 0 HA GLU A 99 5.220 7.126 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.094 4.981 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.053 6.439 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.482 5.344 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.705 4.581 -7.296 1.00 0.00 H new ATOM 1633 N ASP A 100 4.424 7.739 -10.161 1.00 0.00 N ATOM 1634 CA ASP A 100 4.292 8.804 -11.156 1.00 0.00 C ATOM 1635 C ASP A 100 3.675 10.051 -10.534 1.00 0.00 C ATOM 1636 O ASP A 100 4.115 11.169 -10.794 1.00 0.00 O ATOM 1637 CB ASP A 100 3.447 8.327 -12.328 1.00 0.00 C ATOM 1638 CG ASP A 100 3.279 9.387 -13.402 1.00 0.00 C ATOM 1639 OD1 ASP A 100 4.284 9.715 -14.062 1.00 0.00 O ATOM 1640 OD2 ASP A 100 2.152 9.890 -13.572 1.00 0.00 O ATOM 0 H ASP A 100 3.966 6.864 -10.414 1.00 0.00 H new ATOM 0 HA ASP A 100 5.287 9.059 -11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.908 7.442 -12.766 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.465 8.027 -11.963 1.00 0.00 H new ATOM 1645 N ARG A 101 2.659 9.842 -9.699 1.00 0.00 N ATOM 1646 CA ARG A 101 1.989 10.950 -9.033 1.00 0.00 C ATOM 1647 C ARG A 101 2.966 11.750 -8.183 1.00 0.00 C ATOM 1648 O ARG A 101 2.993 12.978 -8.242 1.00 0.00 O ATOM 1649 CB ARG A 101 0.854 10.431 -8.156 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.322 11.259 -8.283 1.00 0.00 C ATOM 1651 CD ARG A 101 -1.018 11.426 -6.943 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.643 12.747 -6.809 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.753 13.105 -7.443 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -3.372 12.251 -8.252 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -3.253 14.326 -7.267 1.00 0.00 N ATOM 0 H ARG A 101 2.286 8.921 -9.470 1.00 0.00 H new ATOM 0 HA ARG A 101 1.581 11.605 -9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.613 9.406 -8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.176 10.409 -7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.042 12.237 -8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.010 10.812 -9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.778 10.652 -6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.296 11.283 -6.139 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.199 13.429 -6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.995 11.313 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.224 12.533 -8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.783 14.985 -6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.106 14.603 -7.753 1.00 0.00 H new ATOM 1669 N ALA A 102 3.779 11.042 -7.415 1.00 0.00 N ATOM 1670 CA ALA A 102 4.765 11.676 -6.559 1.00 0.00 C ATOM 1671 C ALA A 102 5.696 12.584 -7.363 1.00 0.00 C ATOM 1672 O ALA A 102 6.376 13.442 -6.805 1.00 0.00 O ATOM 1673 CB ALA A 102 5.570 10.625 -5.809 1.00 0.00 C ATOM 0 H ALA A 102 3.774 10.023 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 102 4.233 12.295 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.305 11.116 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.900 10.024 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.082 9.981 -6.524 1.00 0.00 H new ATOM 1679 N LYS A 103 5.713 12.390 -8.680 1.00 0.00 N ATOM 1680 CA LYS A 103 6.552 13.197 -9.550 1.00 0.00 C ATOM 1681 C LYS A 103 5.837 14.485 -9.919 1.00 0.00 C ATOM 1682 O LYS A 103 6.456 15.541 -10.046 1.00 0.00 O ATOM 1683 CB LYS A 103 6.919 12.410 -10.808 1.00 0.00 C ATOM 1684 CG LYS A 103 8.384 12.011 -10.877 1.00 0.00 C ATOM 1685 CD LYS A 103 9.200 13.011 -11.684 1.00 0.00 C ATOM 1686 CE LYS A 103 10.607 12.489 -11.956 1.00 0.00 C ATOM 1687 NZ LYS A 103 11.108 12.931 -13.287 1.00 0.00 N ATOM 0 H LYS A 103 5.157 11.684 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 103 7.470 13.449 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.305 11.511 -10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.674 13.009 -11.685 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.790 11.939 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.471 11.022 -11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.697 13.215 -12.629 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.259 13.956 -11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.283 12.841 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.607 11.400 -11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.067 12.558 -13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.476 12.574 -14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.131 13.970 -13.322 1.00 0.00 H new ATOM 1701 N ALA A 104 4.519 14.398 -10.083 1.00 0.00 N ATOM 1702 CA ALA A 104 3.717 15.560 -10.417 1.00 0.00 C ATOM 1703 C ALA A 104 3.542 16.463 -9.208 1.00 0.00 C ATOM 1704 O ALA A 104 3.435 17.680 -9.335 1.00 0.00 O ATOM 1705 CB ALA A 104 2.361 15.125 -10.957 1.00 0.00 C ATOM 0 H ALA A 104 3.989 13.532 -9.989 1.00 0.00 H new ATOM 0 HA ALA A 104 4.238 16.126 -11.189 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.768 16.006 -11.204 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.503 14.520 -11.853 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.840 14.537 -10.201 1.00 0.00 H new ATOM 1711 N ALA A 105 3.522 15.856 -8.023 1.00 0.00 N ATOM 1712 CA ALA A 105 3.365 16.601 -6.780 1.00 0.00 C ATOM 1713 C ALA A 105 4.715 17.013 -6.211 1.00 0.00 C ATOM 1714 O ALA A 105 4.869 18.124 -5.698 1.00 0.00 O ATOM 1715 CB ALA A 105 2.580 15.781 -5.766 1.00 0.00 C ATOM 0 H ALA A 105 3.613 14.848 -7.900 1.00 0.00 H new ATOM 0 HA ALA A 105 2.806 17.511 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.471 16.351 -4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.594 15.551 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.112 14.853 -5.559 1.00 0.00 H new ATOM 1721 N GLY A 106 5.690 16.106 -6.281 1.00 0.00 N ATOM 1722 CA GLY A 106 7.012 16.392 -5.765 1.00 0.00 C ATOM 1723 C GLY A 106 7.368 15.461 -4.626 1.00 0.00 C ATOM 1724 O GLY A 106 8.533 15.104 -4.437 1.00 0.00 O ATOM 0 H GLY A 106 5.583 15.177 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.747 16.291 -6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.055 17.425 -5.421 1.00 0.00 H new ATOM 1728 N ILE A 107 6.362 15.057 -3.862 1.00 0.00 N ATOM 1729 CA ILE A 107 6.546 14.155 -2.740 1.00 0.00 C ATOM 1730 C ILE A 107 7.217 12.859 -3.185 1.00 0.00 C ATOM 1731 O ILE A 107 6.565 11.949 -3.679 1.00 0.00 O ATOM 1732 CB ILE A 107 5.191 13.836 -2.061 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.335 12.702 -1.050 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.133 13.491 -3.105 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.265 13.040 0.008 1.00 0.00 C ATOM 0 H ILE A 107 5.395 15.348 -4.005 1.00 0.00 H new ATOM 0 HA ILE A 107 7.193 14.655 -2.019 1.00 0.00 H new ATOM 0 HB ILE A 107 4.869 14.728 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.360 12.474 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.676 11.801 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.189 13.270 -2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.998 14.336 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.455 12.620 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.339 12.207 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.246 13.242 -0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.910 13.925 0.535 1.00 0.00 H new ATOM 1747 N VAL A 108 8.532 12.785 -3.001 1.00 0.00 N ATOM 1748 CA VAL A 108 9.289 11.612 -3.378 1.00 0.00 C ATOM 1749 C VAL A 108 10.033 11.042 -2.173 1.00 0.00 C ATOM 1750 O VAL A 108 10.222 11.731 -1.168 1.00 0.00 O ATOM 1751 CB VAL A 108 10.302 11.900 -4.501 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.801 10.601 -5.109 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.673 12.790 -5.564 1.00 0.00 C ATOM 0 H VAL A 108 9.092 13.532 -2.590 1.00 0.00 H new ATOM 0 HA VAL A 108 8.566 10.886 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 108 11.156 12.427 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.516 10.821 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.286 10.001 -4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.959 10.047 -5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.400 12.986 -6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.803 12.290 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.364 13.733 -5.113 1.00 0.00 H new ATOM 1763 N ILE A 109 10.445 9.779 -2.270 1.00 0.00 N ATOM 1764 CA ILE A 109 11.176 9.122 -1.179 1.00 0.00 C ATOM 1765 C ILE A 109 12.263 10.030 -0.618 1.00 0.00 C ATOM 1766 O ILE A 109 13.015 10.649 -1.379 1.00 0.00 O ATOM 1767 CB ILE A 109 11.781 7.777 -1.644 1.00 0.00 C ATOM 1768 CG1 ILE A 109 12.035 6.869 -0.439 1.00 0.00 C ATOM 1769 CG2 ILE A 109 13.058 8.001 -2.434 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.770 6.439 0.189 1.00 0.00 C ATOM 0 H ILE A 109 10.288 9.189 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 109 10.460 8.917 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 109 11.066 7.285 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.602 5.993 -0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.645 7.397 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.464 7.040 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.841 8.609 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.788 8.515 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.987 5.795 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.216 7.314 0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.172 5.889 -0.537 1.00 0.00 H new ATOM 1782 N PRO A 110 12.369 10.134 0.636 1.00 0.00 N ATOM 1783 CA PRO A 110 13.376 10.983 1.273 1.00 0.00 C ATOM 1784 C PRO A 110 14.771 10.362 1.224 1.00 0.00 C ATOM 1785 O PRO A 110 15.387 10.114 2.258 1.00 0.00 O ATOM 1786 CB PRO A 110 12.880 11.093 2.718 1.00 0.00 C ATOM 1787 CG PRO A 110 12.084 9.855 2.952 1.00 0.00 C ATOM 1788 CD PRO A 110 11.524 9.439 1.619 1.00 0.00 C ATOM 0 HA PRO A 110 13.480 11.946 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.714 11.163 3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.271 11.986 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.709 9.067 3.371 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.282 10.040 3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.569 8.358 1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.478 9.728 1.519 1.00 0.00 H new ATOM 1796 N GLU A 111 15.244 10.119 0.032 1.00 0.00 N ATOM 1797 CA GLU A 111 16.562 9.534 -0.111 1.00 0.00 C ATOM 1798 C GLU A 111 17.657 10.558 0.092 1.00 0.00 C ATOM 1799 O GLU A 111 18.280 11.073 -0.762 1.00 0.00 O ATOM 1800 CB GLU A 111 16.699 8.979 -1.525 1.00 0.00 C ATOM 1801 CG GLU A 111 15.973 9.799 -2.580 1.00 0.00 C ATOM 1802 CD GLU A 111 16.413 9.460 -3.989 1.00 0.00 C ATOM 1803 OE1 GLU A 111 15.909 8.458 -4.541 1.00 0.00 O ATOM 1804 OE2 GLU A 111 17.266 10.185 -4.543 1.00 0.00 O ATOM 0 H GLU A 111 14.754 10.310 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 111 16.666 8.755 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 111 17.757 8.926 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 111 16.315 7.959 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.900 9.632 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 111 16.148 10.859 -2.394 1.00 0.00 H new ATOM 1811 N GLU A 112 17.894 10.839 1.354 1.00 0.00 N ATOM 1812 CA GLU A 112 18.913 11.803 1.755 1.00 0.00 C ATOM 1813 C GLU A 112 18.758 13.118 1.001 1.00 0.00 C ATOM 1814 O GLU A 112 18.096 14.031 1.535 1.00 0.00 O ATOM 1815 CB GLU A 112 20.305 11.210 1.527 1.00 0.00 C ATOM 1816 CG GLU A 112 21.438 12.227 1.607 1.00 0.00 C ATOM 1817 CD GLU A 112 22.087 12.496 0.276 1.00 0.00 C ATOM 1818 OE1 GLU A 112 21.462 12.170 -0.683 1.00 0.00 O ATOM 1819 OE2 GLU A 112 23.209 13.031 0.253 1.00 0.00 O ATOM 1820 OXT GLU A 112 19.301 13.229 -0.067 1.00 0.00 O ATOM 0 H GLU A 112 17.393 10.412 2.133 1.00 0.00 H new ATOM 0 HA GLU A 112 18.786 12.017 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 112 20.480 10.429 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 112 20.328 10.733 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 112 21.050 13.162 2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 112 22.193 11.867 2.306 1.00 0.00 H new