USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 805 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 106 THR OG1 : rot 180:sc= -0.13 USER MOD Set 1.2: A 109 LYS NZ :NH3+ 178:sc= 0.0305 (180deg=0) USER MOD Set 2.1: A 55 SER OG : rot 20:sc= 0.875 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -0.493 X(o=0.38,f=0.09) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -3.46! X(o=-4.3!,f=-4.7) USER MOD Set 3.2: A 39 THR OG1 : rot -130:sc= -0.797 USER MOD Set 4.1: A 23 MET CE :methyl 175:sc= -2.81! (180deg=-3.19!) USER MOD Set 4.2: A 28 THR OG1 : rot -81:sc= 1.3 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -62:sc= 0.982 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.76! C(o=-1.8!,f=-1.9!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 30 ASN : amide:sc= -2.98! C(o=-3!,f=-5.5!) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0788) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 136:sc= 1.21 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= -4.1! (180deg=-4.34!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 63 LYS NZ :NH3+ 132:sc= 0 (180deg=-1.18) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc=-0.000334 (180deg=-0.0855) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.016) USER MOD Single : A 75 HIS : no HD1:sc= -0.0864 K(o=-0.086,f=-0.65) USER MOD Single : A 77 THR OG1 : rot -49:sc= 0.522 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= -0.712 (180deg=-1.06) USER MOD Single : A 81 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0692) USER MOD Single : A 84 SER OG : rot 15:sc= 1.11 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 156:sc= -0.885 USER MOD Single : A 93 GLN : amide:sc= -2.22 K(o=-2.2,f=-3.1) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -1.86! C(o=-1.9!,f=-12!) USER MOD Single : A 96 SER OG : rot -173:sc= 1.09 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 111:sc= 1.44 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.31) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 1.860 -11.234 -9.027 1.00 0.00 N ATOM 117 CA ILE A 11 2.198 -9.896 -9.496 1.00 0.00 C ATOM 118 C ILE A 11 3.367 -9.314 -8.708 1.00 0.00 C ATOM 119 O ILE A 11 3.416 -9.421 -7.482 1.00 0.00 O ATOM 120 CB ILE A 11 0.995 -8.940 -9.387 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.187 -9.479 -10.196 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.379 -7.547 -9.863 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.531 -8.999 -9.695 1.00 0.00 C ATOM 0 HA ILE A 11 2.482 -9.993 -10.544 1.00 0.00 H new ATOM 0 HB ILE A 11 0.696 -8.874 -8.341 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.069 -9.182 -11.238 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.167 -10.569 -10.171 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.518 -6.884 -9.780 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.193 -7.164 -9.248 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.701 -7.594 -10.903 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.322 -9.420 -10.315 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.670 -9.319 -8.662 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.571 -7.911 -9.746 1.00 0.00 H new ATOM 135 N ASP A 12 4.306 -8.700 -9.419 1.00 0.00 N ATOM 136 CA ASP A 12 5.474 -8.099 -8.785 1.00 0.00 C ATOM 137 C ASP A 12 5.193 -6.652 -8.390 1.00 0.00 C ATOM 138 O ASP A 12 5.202 -5.755 -9.233 1.00 0.00 O ATOM 139 CB ASP A 12 6.678 -8.160 -9.726 1.00 0.00 C ATOM 140 CG ASP A 12 7.976 -7.808 -9.027 1.00 0.00 C ATOM 141 OD1 ASP A 12 8.114 -8.137 -7.830 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.855 -7.203 -9.676 1.00 0.00 O ATOM 0 H ASP A 12 4.281 -8.605 -10.434 1.00 0.00 H new ATOM 0 HA ASP A 12 5.700 -8.666 -7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.756 -9.162 -10.148 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.520 -7.475 -10.559 1.00 0.00 H new ATOM 147 N TYR A 13 4.944 -6.434 -7.103 1.00 0.00 N ATOM 148 CA TYR A 13 4.658 -5.096 -6.597 1.00 0.00 C ATOM 149 C TYR A 13 5.930 -4.259 -6.522 1.00 0.00 C ATOM 150 O TYR A 13 5.879 -3.028 -6.510 1.00 0.00 O ATOM 151 CB TYR A 13 4.007 -5.180 -5.216 1.00 0.00 C ATOM 152 CG TYR A 13 2.888 -6.194 -5.134 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.895 -6.242 -6.105 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.823 -7.104 -4.086 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.871 -7.167 -6.035 1.00 0.00 C ATOM 156 CE2 TYR A 13 1.803 -8.033 -4.008 1.00 0.00 C ATOM 157 CZ TYR A 13 0.830 -8.060 -4.984 1.00 0.00 C ATOM 158 OH TYR A 13 -0.189 -8.982 -4.910 1.00 0.00 O ATOM 0 H TYR A 13 4.934 -7.165 -6.392 1.00 0.00 H new ATOM 0 HA TYR A 13 3.968 -4.613 -7.288 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.769 -5.433 -4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.617 -4.198 -4.947 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.924 -5.544 -6.929 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.583 -7.085 -3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.107 -7.191 -6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.768 -8.734 -3.187 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.071 -9.537 -4.111 1.00 0.00 H new ATOM 168 N THR A 14 7.074 -4.935 -6.471 1.00 0.00 N ATOM 169 CA THR A 14 8.361 -4.254 -6.397 1.00 0.00 C ATOM 170 C THR A 14 8.804 -3.762 -7.770 1.00 0.00 C ATOM 171 O THR A 14 9.927 -3.288 -7.938 1.00 0.00 O ATOM 172 CB THR A 14 9.451 -5.176 -5.818 1.00 0.00 C ATOM 173 OG1 THR A 14 9.732 -6.238 -6.736 1.00 0.00 O ATOM 174 CG2 THR A 14 9.015 -5.757 -4.482 1.00 0.00 C ATOM 0 H THR A 14 7.135 -5.953 -6.480 1.00 0.00 H new ATOM 0 HA THR A 14 8.228 -3.399 -5.734 1.00 0.00 H new ATOM 0 HB THR A 14 10.352 -4.583 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.924 -6.777 -6.870 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.801 -6.405 -4.093 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.829 -4.947 -3.776 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.102 -6.336 -4.618 1.00 0.00 H new ATOM 182 N ALA A 15 7.913 -3.878 -8.750 1.00 0.00 N ATOM 183 CA ALA A 15 8.212 -3.441 -10.109 1.00 0.00 C ATOM 184 C ALA A 15 7.648 -2.049 -10.375 1.00 0.00 C ATOM 185 O ALA A 15 8.085 -1.358 -11.295 1.00 0.00 O ATOM 186 CB ALA A 15 7.659 -4.439 -11.116 1.00 0.00 C ATOM 0 H ALA A 15 6.979 -4.270 -8.628 1.00 0.00 H new ATOM 0 HA ALA A 15 9.295 -3.392 -10.219 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.889 -4.101 -12.127 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.113 -5.415 -10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.578 -4.516 -10.996 1.00 0.00 H new ATOM 192 N TYR A 16 6.676 -1.645 -9.565 1.00 0.00 N ATOM 193 CA TYR A 16 6.050 -0.337 -9.715 1.00 0.00 C ATOM 194 C TYR A 16 6.862 0.740 -9.002 1.00 0.00 C ATOM 195 O TYR A 16 7.561 0.480 -8.022 1.00 0.00 O ATOM 196 CB TYR A 16 4.623 -0.365 -9.165 1.00 0.00 C ATOM 197 CG TYR A 16 3.671 -1.196 -9.993 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.130 -0.700 -11.174 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.310 -2.478 -9.596 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.259 -1.457 -11.934 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.440 -3.242 -10.350 1.00 0.00 C ATOM 202 CZ TYR A 16 1.918 -2.727 -11.518 1.00 0.00 C ATOM 203 OH TYR A 16 1.050 -3.484 -12.272 1.00 0.00 O ATOM 0 H TYR A 16 6.304 -2.205 -8.798 1.00 0.00 H new ATOM 0 HA TYR A 16 6.017 -0.097 -10.778 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.642 -0.756 -8.148 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.245 0.656 -9.107 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.395 0.294 -11.503 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.717 -2.884 -8.682 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.848 -1.056 -12.849 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.170 -4.237 -10.027 1.00 0.00 H new ATOM 0 HH TYR A 16 0.915 -4.354 -11.841 1.00 0.00 H new ATOM 213 N PRO A 17 6.767 1.980 -9.504 1.00 0.00 N ATOM 214 CA PRO A 17 7.484 3.123 -8.931 1.00 0.00 C ATOM 215 C PRO A 17 6.934 3.528 -7.568 1.00 0.00 C ATOM 216 O PRO A 17 7.659 4.065 -6.730 1.00 0.00 O ATOM 217 CB PRO A 17 7.250 4.238 -9.954 1.00 0.00 C ATOM 218 CG PRO A 17 5.979 3.865 -10.637 1.00 0.00 C ATOM 219 CD PRO A 17 5.952 2.363 -10.670 1.00 0.00 C ATOM 0 HA PRO A 17 8.536 2.898 -8.758 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.168 5.210 -9.468 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.075 4.305 -10.663 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.117 4.259 -10.099 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.942 4.278 -11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.935 1.978 -10.593 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.371 1.974 -11.598 1.00 0.00 H new ATOM 227 N TRP A 18 5.650 3.267 -7.352 1.00 0.00 N ATOM 228 CA TRP A 18 5.003 3.603 -6.088 1.00 0.00 C ATOM 229 C TRP A 18 5.307 2.554 -5.025 1.00 0.00 C ATOM 230 O TRP A 18 4.658 2.510 -3.979 1.00 0.00 O ATOM 231 CB TRP A 18 3.491 3.728 -6.284 1.00 0.00 C ATOM 232 CG TRP A 18 2.918 2.670 -7.176 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.503 2.823 -8.468 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.694 1.296 -6.840 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.035 1.628 -8.956 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.142 0.674 -7.978 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.907 0.530 -5.692 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.802 -0.676 -7.997 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.569 -0.810 -5.712 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.022 -1.402 -6.858 1.00 0.00 C ATOM 0 H TRP A 18 5.036 2.824 -8.035 1.00 0.00 H new ATOM 0 HA TRP A 18 5.398 4.560 -5.748 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.001 3.678 -5.312 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.266 4.708 -6.704 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.538 3.748 -9.024 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.667 1.475 -9.895 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.329 0.977 -4.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.380 -1.134 -8.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.729 -1.411 -4.829 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.769 -2.452 -6.842 1.00 0.00 H new ATOM 251 N PHE A 19 6.295 1.709 -5.298 1.00 0.00 N ATOM 252 CA PHE A 19 6.683 0.659 -4.364 1.00 0.00 C ATOM 253 C PHE A 19 7.772 1.150 -3.414 1.00 0.00 C ATOM 254 O PHE A 19 8.765 1.738 -3.843 1.00 0.00 O ATOM 255 CB PHE A 19 7.173 -0.575 -5.126 1.00 0.00 C ATOM 256 CG PHE A 19 8.009 -1.502 -4.290 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.416 -2.501 -3.537 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.389 -1.373 -4.258 1.00 0.00 C ATOM 259 CE1 PHE A 19 8.184 -3.356 -2.767 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.161 -2.224 -3.491 1.00 0.00 C ATOM 261 CZ PHE A 19 9.557 -3.218 -2.745 1.00 0.00 C ATOM 0 H PHE A 19 6.842 1.731 -6.159 1.00 0.00 H new ATOM 0 HA PHE A 19 5.806 0.390 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.311 -1.122 -5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.755 -0.252 -5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.342 -2.614 -3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.866 -0.598 -4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.709 -4.131 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.235 -2.113 -3.474 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.158 -3.886 -2.146 1.00 0.00 H new ATOM 271 N ALA A 20 7.577 0.905 -2.123 1.00 0.00 N ATOM 272 CA ALA A 20 8.543 1.321 -1.113 1.00 0.00 C ATOM 273 C ALA A 20 9.208 0.114 -0.460 1.00 0.00 C ATOM 274 O ALA A 20 10.425 0.087 -0.279 1.00 0.00 O ATOM 275 CB ALA A 20 7.865 2.186 -0.060 1.00 0.00 C ATOM 0 H ALA A 20 6.760 0.421 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 20 9.318 1.908 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.597 2.490 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.442 3.072 -0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.070 1.617 0.421 1.00 0.00 H new ATOM 281 N GLY A 21 8.402 -0.883 -0.109 1.00 0.00 N ATOM 282 CA GLY A 21 8.931 -2.078 0.521 1.00 0.00 C ATOM 283 C GLY A 21 9.007 -1.954 2.030 1.00 0.00 C ATOM 284 O GLY A 21 8.116 -1.384 2.658 1.00 0.00 O ATOM 0 H GLY A 21 7.392 -0.884 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.303 -2.930 0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.926 -2.283 0.126 1.00 0.00 H new ATOM 288 N ASN A 22 10.075 -2.490 2.612 1.00 0.00 N ATOM 289 CA ASN A 22 10.262 -2.438 4.058 1.00 0.00 C ATOM 290 C ASN A 22 11.111 -1.232 4.453 1.00 0.00 C ATOM 291 O ASN A 22 12.129 -1.373 5.132 1.00 0.00 O ATOM 292 CB ASN A 22 10.924 -3.726 4.554 1.00 0.00 C ATOM 293 CG ASN A 22 12.410 -3.765 4.256 1.00 0.00 C ATOM 294 OD1 ASN A 22 13.238 -3.554 5.143 1.00 0.00 O ATOM 295 ND2 ASN A 22 12.756 -4.035 3.003 1.00 0.00 N ATOM 0 H ASN A 22 10.823 -2.964 2.106 1.00 0.00 H new ATOM 0 HA ASN A 22 9.281 -2.339 4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.769 -3.820 5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.440 -4.583 4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.742 -4.074 2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.036 -4.203 2.300 1.00 0.00 H new ATOM 302 N MET A 23 10.685 -0.049 4.024 1.00 0.00 N ATOM 303 CA MET A 23 11.405 1.180 4.335 1.00 0.00 C ATOM 304 C MET A 23 11.314 1.501 5.823 1.00 0.00 C ATOM 305 O MET A 23 10.715 0.752 6.594 1.00 0.00 O ATOM 306 CB MET A 23 10.844 2.345 3.515 1.00 0.00 C ATOM 307 CG MET A 23 9.714 3.087 4.209 1.00 0.00 C ATOM 308 SD MET A 23 8.532 3.795 3.044 1.00 0.00 S ATOM 309 CE MET A 23 9.479 5.168 2.392 1.00 0.00 C ATOM 0 H MET A 23 9.845 0.085 3.460 1.00 0.00 H new ATOM 0 HA MET A 23 12.454 1.034 4.076 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.649 3.047 3.298 1.00 0.00 H new ATOM 0 HB3 MET A 23 10.485 1.966 2.558 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.193 2.403 4.879 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.132 3.883 4.826 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.916 5.652 1.594 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.671 5.888 3.188 1.00 0.00 H new ATOM 0 HE3 MET A 23 10.427 4.802 1.997 1.00 0.00 H new ATOM 319 N GLU A 24 11.913 2.619 6.220 1.00 0.00 N ATOM 320 CA GLU A 24 11.901 3.038 7.617 1.00 0.00 C ATOM 321 C GLU A 24 10.700 3.932 7.906 1.00 0.00 C ATOM 322 O GLU A 24 10.546 4.997 7.308 1.00 0.00 O ATOM 323 CB GLU A 24 13.196 3.776 7.963 1.00 0.00 C ATOM 324 CG GLU A 24 14.377 2.853 8.206 1.00 0.00 C ATOM 325 CD GLU A 24 15.492 3.524 8.985 1.00 0.00 C ATOM 326 OE1 GLU A 24 15.900 4.638 8.596 1.00 0.00 O ATOM 327 OE2 GLU A 24 15.956 2.933 9.983 1.00 0.00 O ATOM 0 H GLU A 24 12.413 3.251 5.594 1.00 0.00 H new ATOM 0 HA GLU A 24 11.824 2.145 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.442 4.461 7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.031 4.383 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.038 1.971 8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.766 2.507 7.248 1.00 0.00 H new ATOM 334 N ARG A 25 9.850 3.492 8.828 1.00 0.00 N ATOM 335 CA ARG A 25 8.661 4.251 9.196 1.00 0.00 C ATOM 336 C ARG A 25 8.967 5.745 9.258 1.00 0.00 C ATOM 337 O ARG A 25 8.423 6.531 8.483 1.00 0.00 O ATOM 338 CB ARG A 25 8.123 3.774 10.547 1.00 0.00 C ATOM 339 CG ARG A 25 6.722 4.277 10.857 1.00 0.00 C ATOM 340 CD ARG A 25 5.981 3.328 11.785 1.00 0.00 C ATOM 341 NE ARG A 25 6.466 3.416 13.159 1.00 0.00 N ATOM 342 CZ ARG A 25 6.109 2.571 14.120 1.00 0.00 C ATOM 343 NH1 ARG A 25 5.270 1.578 13.857 1.00 0.00 N ATOM 344 NH2 ARG A 25 6.594 2.717 15.346 1.00 0.00 N ATOM 0 H ARG A 25 9.963 2.614 9.334 1.00 0.00 H new ATOM 0 HA ARG A 25 7.903 4.084 8.431 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.120 2.684 10.563 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.801 4.103 11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.782 5.264 11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.162 4.391 9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.915 3.556 11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.096 2.306 11.425 1.00 0.00 H new ATOM 0 HE ARG A 25 7.114 4.167 13.394 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.897 1.461 12.915 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.998 0.931 14.597 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.241 3.478 15.551 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.320 2.068 16.084 1.00 0.00 H new ATOM 358 N GLN A 26 9.839 6.127 10.184 1.00 0.00 N ATOM 359 CA GLN A 26 10.216 7.526 10.347 1.00 0.00 C ATOM 360 C GLN A 26 10.543 8.162 9.001 1.00 0.00 C ATOM 361 O GLN A 26 10.154 9.297 8.729 1.00 0.00 O ATOM 362 CB GLN A 26 11.417 7.647 11.287 1.00 0.00 C ATOM 363 CG GLN A 26 11.688 9.070 11.748 1.00 0.00 C ATOM 364 CD GLN A 26 10.950 9.420 13.026 1.00 0.00 C ATOM 365 OE1 GLN A 26 9.844 9.960 12.989 1.00 0.00 O ATOM 366 NE2 GLN A 26 11.560 9.113 14.165 1.00 0.00 N ATOM 0 H GLN A 26 10.298 5.488 10.833 1.00 0.00 H new ATOM 0 HA GLN A 26 9.369 8.056 10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.249 7.017 12.160 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.303 7.263 10.782 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.759 9.200 11.904 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.394 9.765 10.961 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.477 8.666 14.148 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.112 9.324 15.057 1.00 0.00 H new ATOM 375 N GLN A 27 11.260 7.422 8.161 1.00 0.00 N ATOM 376 CA GLN A 27 11.640 7.916 6.842 1.00 0.00 C ATOM 377 C GLN A 27 10.406 8.202 5.992 1.00 0.00 C ATOM 378 O GLN A 27 10.396 9.134 5.187 1.00 0.00 O ATOM 379 CB GLN A 27 12.538 6.900 6.134 1.00 0.00 C ATOM 380 CG GLN A 27 13.277 7.473 4.935 1.00 0.00 C ATOM 381 CD GLN A 27 13.770 6.398 3.986 1.00 0.00 C ATOM 382 OE1 GLN A 27 13.879 5.229 4.356 1.00 0.00 O ATOM 383 NE2 GLN A 27 14.070 6.790 2.753 1.00 0.00 N ATOM 0 H GLN A 27 11.589 6.479 8.370 1.00 0.00 H new ATOM 0 HA GLN A 27 12.191 8.847 6.974 1.00 0.00 H new ATOM 0 HB2 GLN A 27 13.265 6.511 6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.930 6.056 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.617 8.153 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.125 8.062 5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.965 7.770 2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.406 6.111 2.070 1.00 0.00 H new ATOM 392 N THR A 28 9.367 7.394 6.174 1.00 0.00 N ATOM 393 CA THR A 28 8.129 7.559 5.424 1.00 0.00 C ATOM 394 C THR A 28 7.450 8.879 5.767 1.00 0.00 C ATOM 395 O THR A 28 7.098 9.656 4.879 1.00 0.00 O ATOM 396 CB THR A 28 7.148 6.403 5.697 1.00 0.00 C ATOM 397 OG1 THR A 28 7.810 5.146 5.522 1.00 0.00 O ATOM 398 CG2 THR A 28 5.946 6.484 4.768 1.00 0.00 C ATOM 0 H THR A 28 9.359 6.618 6.835 1.00 0.00 H new ATOM 0 HA THR A 28 8.397 7.556 4.367 1.00 0.00 H new ATOM 0 HB THR A 28 6.798 6.487 6.726 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.840 4.922 4.568 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.267 5.658 4.979 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.427 7.430 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.282 6.423 3.733 1.00 0.00 H new ATOM 406 N ASP A 29 7.270 9.128 7.059 1.00 0.00 N ATOM 407 CA ASP A 29 6.633 10.357 7.519 1.00 0.00 C ATOM 408 C ASP A 29 7.554 11.555 7.316 1.00 0.00 C ATOM 409 O ASP A 29 7.130 12.704 7.434 1.00 0.00 O ATOM 410 CB ASP A 29 6.251 10.236 8.996 1.00 0.00 C ATOM 411 CG ASP A 29 5.053 11.094 9.356 1.00 0.00 C ATOM 412 OD1 ASP A 29 4.949 12.219 8.826 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.222 10.639 10.170 1.00 0.00 O ATOM 0 H ASP A 29 7.556 8.496 7.807 1.00 0.00 H new ATOM 0 HA ASP A 29 5.730 10.512 6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.031 9.194 9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.101 10.527 9.613 1.00 0.00 H new ATOM 418 N ASN A 30 8.818 11.278 7.013 1.00 0.00 N ATOM 419 CA ASN A 30 9.801 12.334 6.794 1.00 0.00 C ATOM 420 C ASN A 30 9.844 12.741 5.324 1.00 0.00 C ATOM 421 O ASN A 30 9.982 13.922 5.000 1.00 0.00 O ATOM 422 CB ASN A 30 11.187 11.870 7.247 1.00 0.00 C ATOM 423 CG ASN A 30 11.268 11.670 8.748 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.251 11.677 9.442 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.481 11.490 9.256 1.00 0.00 N ATOM 0 H ASN A 30 9.186 10.332 6.913 1.00 0.00 H new ATOM 0 HA ASN A 30 9.504 13.201 7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.436 10.935 6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.931 12.605 6.940 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.598 11.350 10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.296 11.492 8.643 1.00 0.00 H new ATOM 432 N LEU A 31 9.724 11.758 4.439 1.00 0.00 N ATOM 433 CA LEU A 31 9.748 12.014 3.003 1.00 0.00 C ATOM 434 C LEU A 31 8.358 12.373 2.490 1.00 0.00 C ATOM 435 O LEU A 31 8.209 13.226 1.615 1.00 0.00 O ATOM 436 CB LEU A 31 10.279 10.789 2.256 1.00 0.00 C ATOM 437 CG LEU A 31 9.306 9.619 2.110 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.466 9.777 0.852 1.00 0.00 C ATOM 439 CD2 LEU A 31 10.061 8.297 2.086 1.00 0.00 C ATOM 0 H LEU A 31 9.609 10.776 4.690 1.00 0.00 H new ATOM 0 HA LEU A 31 10.411 12.860 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.591 11.103 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.171 10.432 2.772 1.00 0.00 H new ATOM 0 HG LEU A 31 8.638 9.618 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.779 8.935 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.897 10.705 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.119 9.805 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.353 7.475 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.753 8.289 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.619 8.179 3.015 1.00 0.00 H new ATOM 451 N LEU A 32 7.342 11.719 3.044 1.00 0.00 N ATOM 452 CA LEU A 32 5.961 11.972 2.644 1.00 0.00 C ATOM 453 C LEU A 32 5.518 13.367 3.070 1.00 0.00 C ATOM 454 O LEU A 32 5.076 14.169 2.246 1.00 0.00 O ATOM 455 CB LEU A 32 5.033 10.920 3.254 1.00 0.00 C ATOM 456 CG LEU A 32 5.053 9.541 2.593 1.00 0.00 C ATOM 457 CD1 LEU A 32 4.020 8.627 3.233 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.804 9.664 1.096 1.00 0.00 C ATOM 0 H LEU A 32 7.448 11.011 3.770 1.00 0.00 H new ATOM 0 HA LEU A 32 5.905 11.910 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.294 10.800 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.013 11.302 3.221 1.00 0.00 H new ATOM 0 HG LEU A 32 6.039 9.102 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.049 7.650 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.242 8.513 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.027 9.061 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.822 8.673 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.831 10.124 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.581 10.283 0.648 1.00 0.00 H new ATOM 470 N LYS A 33 5.640 13.653 4.362 1.00 0.00 N ATOM 471 CA LYS A 33 5.255 14.953 4.899 1.00 0.00 C ATOM 472 C LYS A 33 5.733 16.080 3.989 1.00 0.00 C ATOM 473 O LYS A 33 5.005 17.042 3.741 1.00 0.00 O ATOM 474 CB LYS A 33 5.831 15.138 6.304 1.00 0.00 C ATOM 475 CG LYS A 33 7.350 15.194 6.336 1.00 0.00 C ATOM 476 CD LYS A 33 7.871 15.378 7.752 1.00 0.00 C ATOM 477 CE LYS A 33 7.606 16.786 8.264 1.00 0.00 C ATOM 478 NZ LYS A 33 8.498 17.787 7.618 1.00 0.00 N ATOM 0 H LYS A 33 6.003 13.001 5.057 1.00 0.00 H new ATOM 0 HA LYS A 33 4.167 14.989 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.433 16.058 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.492 14.318 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.758 14.276 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.698 16.015 5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.395 14.654 8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.942 15.176 7.776 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.566 17.051 8.076 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.751 16.813 9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.408 18.700 8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.484 17.460 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.226 17.902 6.621 1.00 0.00 H new ATOM 492 N SER A 34 6.959 15.954 3.492 1.00 0.00 N ATOM 493 CA SER A 34 7.535 16.964 2.612 1.00 0.00 C ATOM 494 C SER A 34 6.849 16.950 1.249 1.00 0.00 C ATOM 495 O SER A 34 6.597 18.000 0.657 1.00 0.00 O ATOM 496 CB SER A 34 9.037 16.728 2.443 1.00 0.00 C ATOM 497 OG SER A 34 9.714 17.937 2.149 1.00 0.00 O ATOM 0 H SER A 34 7.573 15.162 3.684 1.00 0.00 H new ATOM 0 HA SER A 34 7.378 17.941 3.069 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.445 16.292 3.355 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.207 16.008 1.642 1.00 0.00 H new ATOM 0 HG SER A 34 10.672 17.759 2.048 1.00 0.00 H new ATOM 503 N HIS A 35 6.551 15.752 0.755 1.00 0.00 N ATOM 504 CA HIS A 35 5.895 15.600 -0.538 1.00 0.00 C ATOM 505 C HIS A 35 4.615 16.427 -0.598 1.00 0.00 C ATOM 506 O HIS A 35 4.283 17.144 0.345 1.00 0.00 O ATOM 507 CB HIS A 35 5.579 14.127 -0.802 1.00 0.00 C ATOM 508 CG HIS A 35 6.680 13.395 -1.504 1.00 0.00 C ATOM 509 ND1 HIS A 35 7.336 13.897 -2.608 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.242 12.189 -1.251 1.00 0.00 C ATOM 511 CE1 HIS A 35 8.252 13.033 -3.004 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.216 11.988 -2.198 1.00 0.00 N ATOM 0 H HIS A 35 6.754 14.873 1.231 1.00 0.00 H new ATOM 0 HA HIS A 35 6.576 15.962 -1.309 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.373 13.632 0.147 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.670 14.060 -1.400 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.143 14.796 -3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.974 11.512 -0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.918 13.159 -3.845 1.00 0.00 H new ATOM 521 N ALA A 36 3.898 16.320 -1.713 1.00 0.00 N ATOM 522 CA ALA A 36 2.653 17.057 -1.894 1.00 0.00 C ATOM 523 C ALA A 36 1.489 16.343 -1.217 1.00 0.00 C ATOM 524 O ALA A 36 1.664 15.285 -0.612 1.00 0.00 O ATOM 525 CB ALA A 36 2.367 17.251 -3.376 1.00 0.00 C ATOM 0 H ALA A 36 4.158 15.730 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 36 2.766 18.035 -1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.435 17.803 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.182 17.811 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.279 16.278 -3.860 1.00 0.00 H new ATOM 531 N SER A 37 0.301 16.928 -1.322 1.00 0.00 N ATOM 532 CA SER A 37 -0.892 16.350 -0.715 1.00 0.00 C ATOM 533 C SER A 37 -1.520 15.308 -1.636 1.00 0.00 C ATOM 534 O SER A 37 -2.741 15.167 -1.692 1.00 0.00 O ATOM 535 CB SER A 37 -1.912 17.446 -0.398 1.00 0.00 C ATOM 536 OG SER A 37 -1.287 18.563 0.211 1.00 0.00 O ATOM 0 H SER A 37 0.139 17.802 -1.822 1.00 0.00 H new ATOM 0 HA SER A 37 -0.596 15.860 0.212 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.411 17.759 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.682 17.050 0.264 1.00 0.00 H new ATOM 0 HG SER A 37 -1.959 19.250 0.402 1.00 0.00 H new ATOM 542 N GLY A 38 -0.674 14.580 -2.359 1.00 0.00 N ATOM 543 CA GLY A 38 -1.163 13.560 -3.268 1.00 0.00 C ATOM 544 C GLY A 38 -0.153 12.454 -3.496 1.00 0.00 C ATOM 545 O GLY A 38 -0.286 11.661 -4.430 1.00 0.00 O ATOM 0 H GLY A 38 0.341 14.679 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.082 13.132 -2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.415 14.020 -4.223 1.00 0.00 H new ATOM 549 N THR A 39 0.866 12.399 -2.643 1.00 0.00 N ATOM 550 CA THR A 39 1.905 11.384 -2.757 1.00 0.00 C ATOM 551 C THR A 39 1.524 10.118 -1.998 1.00 0.00 C ATOM 552 O THR A 39 1.352 10.142 -0.779 1.00 0.00 O ATOM 553 CB THR A 39 3.255 11.900 -2.225 1.00 0.00 C ATOM 554 OG1 THR A 39 3.790 12.883 -3.120 1.00 0.00 O ATOM 555 CG2 THR A 39 4.248 10.758 -2.068 1.00 0.00 C ATOM 0 H THR A 39 0.993 13.047 -1.865 1.00 0.00 H new ATOM 0 HA THR A 39 2.004 11.152 -3.817 1.00 0.00 H new ATOM 0 HB THR A 39 3.086 12.351 -1.247 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.722 12.663 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.194 11.147 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.851 10.025 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.411 10.282 -3.035 1.00 0.00 H new ATOM 563 N TYR A 40 1.393 9.015 -2.725 1.00 0.00 N ATOM 564 CA TYR A 40 1.030 7.739 -2.120 1.00 0.00 C ATOM 565 C TYR A 40 2.153 6.719 -2.282 1.00 0.00 C ATOM 566 O TYR A 40 3.031 6.876 -3.131 1.00 0.00 O ATOM 567 CB TYR A 40 -0.258 7.201 -2.748 1.00 0.00 C ATOM 568 CG TYR A 40 -0.066 6.654 -4.144 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.054 7.506 -5.235 1.00 0.00 C ATOM 570 CD2 TYR A 40 -0.004 5.285 -4.374 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.228 7.011 -6.513 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.170 4.780 -5.648 1.00 0.00 C ATOM 573 CZ TYR A 40 0.285 5.647 -6.715 1.00 0.00 C ATOM 574 OH TYR A 40 0.460 5.150 -7.986 1.00 0.00 O ATOM 0 H TYR A 40 1.533 8.978 -3.735 1.00 0.00 H new ATOM 0 HA TYR A 40 0.866 7.905 -1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.662 6.415 -2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.999 8.000 -2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.010 8.574 -5.081 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.094 4.603 -3.541 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.319 7.688 -7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.216 3.713 -5.808 1.00 0.00 H new ATOM 0 HH TYR A 40 1.126 4.431 -7.967 1.00 0.00 H new ATOM 584 N LEU A 41 2.118 5.676 -1.461 1.00 0.00 N ATOM 585 CA LEU A 41 3.132 4.628 -1.511 1.00 0.00 C ATOM 586 C LEU A 41 2.643 3.362 -0.816 1.00 0.00 C ATOM 587 O LEU A 41 1.748 3.413 0.028 1.00 0.00 O ATOM 588 CB LEU A 41 4.428 5.114 -0.859 1.00 0.00 C ATOM 589 CG LEU A 41 4.501 4.988 0.663 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.090 3.642 1.059 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.321 6.126 1.253 1.00 0.00 C ATOM 0 H LEU A 41 1.398 5.533 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 41 3.325 4.393 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.260 4.556 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.575 6.161 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 41 3.489 5.051 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.134 3.570 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.463 2.841 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.095 3.550 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.362 6.021 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.332 6.095 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.857 7.079 0.999 1.00 0.00 H new ATOM 603 N ILE A 42 3.236 2.229 -1.176 1.00 0.00 N ATOM 604 CA ILE A 42 2.862 0.951 -0.584 1.00 0.00 C ATOM 605 C ILE A 42 4.054 0.294 0.105 1.00 0.00 C ATOM 606 O ILE A 42 5.061 -0.015 -0.535 1.00 0.00 O ATOM 607 CB ILE A 42 2.298 -0.017 -1.641 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.876 0.393 -2.031 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.320 -1.445 -1.118 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.822 1.357 -3.195 1.00 0.00 C ATOM 0 H ILE A 42 3.977 2.170 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 42 2.088 1.161 0.154 1.00 0.00 H new ATOM 0 HB ILE A 42 2.927 0.032 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.305 -0.501 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.389 0.849 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.918 -2.117 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.346 -1.732 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.712 -1.512 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.217 1.603 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.364 2.267 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.279 0.896 -4.071 1.00 0.00 H new ATOM 622 N ARG A 43 3.933 0.081 1.411 1.00 0.00 N ATOM 623 CA ARG A 43 5.001 -0.539 2.186 1.00 0.00 C ATOM 624 C ARG A 43 4.553 -1.886 2.746 1.00 0.00 C ATOM 625 O ARG A 43 3.361 -2.192 2.776 1.00 0.00 O ATOM 626 CB ARG A 43 5.432 0.382 3.328 1.00 0.00 C ATOM 627 CG ARG A 43 4.279 0.859 4.195 1.00 0.00 C ATOM 628 CD ARG A 43 4.671 2.072 5.025 1.00 0.00 C ATOM 629 NE ARG A 43 5.203 1.693 6.330 1.00 0.00 N ATOM 630 CZ ARG A 43 6.459 1.305 6.528 1.00 0.00 C ATOM 631 NH1 ARG A 43 7.305 1.246 5.509 1.00 0.00 N ATOM 632 NH2 ARG A 43 6.869 0.975 7.746 1.00 0.00 N ATOM 0 H ARG A 43 3.106 0.329 1.955 1.00 0.00 H new ATOM 0 HA ARG A 43 5.850 -0.704 1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.153 -0.143 3.954 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.944 1.249 2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.427 1.109 3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.961 0.052 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.417 2.655 4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.801 2.715 5.161 1.00 0.00 H new ATOM 0 HE ARG A 43 4.577 1.728 7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.993 1.499 4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.268 0.948 5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.220 1.019 8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.833 0.677 7.896 1.00 0.00 H new ATOM 646 N GLU A 44 5.518 -2.687 3.189 1.00 0.00 N ATOM 647 CA GLU A 44 5.221 -4.002 3.747 1.00 0.00 C ATOM 648 C GLU A 44 5.472 -4.023 5.252 1.00 0.00 C ATOM 649 O GLU A 44 6.268 -3.240 5.770 1.00 0.00 O ATOM 650 CB GLU A 44 6.071 -5.074 3.062 1.00 0.00 C ATOM 651 CG GLU A 44 5.891 -6.463 3.652 1.00 0.00 C ATOM 652 CD GLU A 44 6.353 -7.560 2.713 1.00 0.00 C ATOM 653 OE1 GLU A 44 5.577 -7.932 1.807 1.00 0.00 O ATOM 654 OE2 GLU A 44 7.490 -8.046 2.884 1.00 0.00 O ATOM 0 H GLU A 44 6.510 -2.449 3.172 1.00 0.00 H new ATOM 0 HA GLU A 44 4.167 -4.215 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.819 -5.103 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.122 -4.792 3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.448 -6.532 4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.840 -6.617 3.895 1.00 0.00 H new ATOM 749 N ARG A 51 0.835 -8.529 5.586 1.00 0.00 N ATOM 750 CA ARG A 51 2.164 -8.356 5.012 1.00 0.00 C ATOM 751 C ARG A 51 2.159 -7.268 3.943 1.00 0.00 C ATOM 752 O ARG A 51 2.895 -7.344 2.960 1.00 0.00 O ATOM 753 CB ARG A 51 2.659 -9.673 4.410 1.00 0.00 C ATOM 754 CG ARG A 51 4.148 -9.683 4.107 1.00 0.00 C ATOM 755 CD ARG A 51 4.491 -10.707 3.035 1.00 0.00 C ATOM 756 NE ARG A 51 5.896 -10.638 2.643 1.00 0.00 N ATOM 757 CZ ARG A 51 6.887 -11.147 3.367 1.00 0.00 C ATOM 758 NH1 ARG A 51 6.627 -11.759 4.514 1.00 0.00 N ATOM 759 NH2 ARG A 51 8.140 -11.045 2.942 1.00 0.00 N ATOM 0 HA ARG A 51 2.839 -8.052 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.432 -10.486 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.108 -9.872 3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.460 -8.692 3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.704 -9.907 5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.266 -11.708 3.404 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.862 -10.541 2.160 1.00 0.00 H new ATOM 0 HE ARG A 51 6.129 -10.174 1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.665 -11.840 4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.389 -12.149 5.068 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.343 -10.576 2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.901 -11.436 3.498 1.00 0.00 H new ATOM 773 N PHE A 52 1.323 -6.254 4.142 1.00 0.00 N ATOM 774 CA PHE A 52 1.219 -5.150 3.195 1.00 0.00 C ATOM 775 C PHE A 52 0.584 -3.928 3.852 1.00 0.00 C ATOM 776 O PHE A 52 -0.227 -4.054 4.770 1.00 0.00 O ATOM 777 CB PHE A 52 0.398 -5.573 1.976 1.00 0.00 C ATOM 778 CG PHE A 52 1.193 -6.332 0.952 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.339 -5.784 0.399 1.00 0.00 C ATOM 780 CD2 PHE A 52 0.794 -7.594 0.542 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.072 -6.480 -0.543 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.524 -8.296 -0.398 1.00 0.00 C ATOM 783 CZ PHE A 52 2.664 -7.737 -0.943 1.00 0.00 C ATOM 0 H PHE A 52 0.707 -6.174 4.951 1.00 0.00 H new ATOM 0 HA PHE A 52 2.226 -4.884 2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.437 -6.191 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.028 -4.685 1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.663 -4.801 0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.098 -8.034 0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.963 -6.041 -0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.204 -9.280 -0.706 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.235 -8.282 -1.680 1.00 0.00 H new ATOM 793 N ALA A 53 0.959 -2.746 3.375 1.00 0.00 N ATOM 794 CA ALA A 53 0.426 -1.501 3.914 1.00 0.00 C ATOM 795 C ALA A 53 0.432 -0.399 2.860 1.00 0.00 C ATOM 796 O ALA A 53 1.097 -0.517 1.830 1.00 0.00 O ATOM 797 CB ALA A 53 1.224 -1.070 5.136 1.00 0.00 C ATOM 0 H ALA A 53 1.630 -2.624 2.616 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.608 -1.676 4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.815 -0.139 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.163 -1.844 5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.266 -0.918 4.855 1.00 0.00 H new ATOM 803 N ILE A 54 -0.312 0.670 3.123 1.00 0.00 N ATOM 804 CA ILE A 54 -0.391 1.792 2.196 1.00 0.00 C ATOM 805 C ILE A 54 -0.332 3.123 2.938 1.00 0.00 C ATOM 806 O ILE A 54 -1.123 3.375 3.848 1.00 0.00 O ATOM 807 CB ILE A 54 -1.684 1.741 1.359 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.860 0.354 0.737 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.658 2.813 0.280 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.280 0.060 0.309 1.00 0.00 C ATOM 0 H ILE A 54 -0.869 0.783 3.970 1.00 0.00 H new ATOM 0 HA ILE A 54 0.468 1.712 1.529 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.533 1.934 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.203 0.267 -0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.542 -0.401 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.578 2.765 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.574 3.795 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.803 2.648 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.330 -0.940 -0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.940 0.115 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.595 0.793 -0.434 1.00 0.00 H new ATOM 822 N SER A 55 0.610 3.973 2.543 1.00 0.00 N ATOM 823 CA SER A 55 0.776 5.278 3.172 1.00 0.00 C ATOM 824 C SER A 55 0.637 6.398 2.144 1.00 0.00 C ATOM 825 O SER A 55 1.353 6.426 1.142 1.00 0.00 O ATOM 826 CB SER A 55 2.139 5.367 3.860 1.00 0.00 C ATOM 827 OG SER A 55 2.103 6.279 4.944 1.00 0.00 O ATOM 0 H SER A 55 1.270 3.781 1.790 1.00 0.00 H new ATOM 0 HA SER A 55 -0.008 5.396 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.434 4.381 4.219 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.894 5.683 3.140 1.00 0.00 H new ATOM 0 HG SER A 55 1.174 6.416 5.225 1.00 0.00 H new ATOM 833 N ILE A 56 -0.287 7.316 2.400 1.00 0.00 N ATOM 834 CA ILE A 56 -0.520 8.438 1.499 1.00 0.00 C ATOM 835 C ILE A 56 -0.541 9.760 2.260 1.00 0.00 C ATOM 836 O ILE A 56 -1.164 9.871 3.316 1.00 0.00 O ATOM 837 CB ILE A 56 -1.845 8.280 0.732 1.00 0.00 C ATOM 838 CG1 ILE A 56 -2.102 6.805 0.414 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.820 9.106 -0.545 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.717 6.037 1.562 1.00 0.00 C ATOM 0 H ILE A 56 -0.887 7.306 3.224 1.00 0.00 H new ATOM 0 HA ILE A 56 0.304 8.445 0.786 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.658 8.644 1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.761 6.738 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.160 6.333 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.764 8.984 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.678 10.157 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.000 8.770 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.871 5.000 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.049 6.073 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.675 6.484 1.827 1.00 0.00 H new ATOM 852 N LYS A 57 0.144 10.761 1.716 1.00 0.00 N ATOM 853 CA LYS A 57 0.202 12.077 2.341 1.00 0.00 C ATOM 854 C LYS A 57 -1.039 12.896 2.002 1.00 0.00 C ATOM 855 O LYS A 57 -1.205 13.349 0.869 1.00 0.00 O ATOM 856 CB LYS A 57 1.459 12.824 1.888 1.00 0.00 C ATOM 857 CG LYS A 57 1.576 14.223 2.467 1.00 0.00 C ATOM 858 CD LYS A 57 1.633 14.196 3.985 1.00 0.00 C ATOM 859 CE LYS A 57 1.544 15.596 4.571 1.00 0.00 C ATOM 860 NZ LYS A 57 1.818 15.603 6.035 1.00 0.00 N ATOM 0 H LYS A 57 0.667 10.685 0.843 1.00 0.00 H new ATOM 0 HA LYS A 57 0.239 11.937 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.338 12.246 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.461 12.889 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.472 14.705 2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.725 14.823 2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.815 13.587 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.561 13.724 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.257 16.247 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.551 16.005 4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.632 16.552 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.201 14.912 6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.813 15.350 6.203 1.00 0.00 H new ATOM 874 N PHE A 58 -1.908 13.082 2.990 1.00 0.00 N ATOM 875 CA PHE A 58 -3.134 13.847 2.796 1.00 0.00 C ATOM 876 C PHE A 58 -3.539 14.561 4.082 1.00 0.00 C ATOM 877 O PHE A 58 -3.525 13.971 5.162 1.00 0.00 O ATOM 878 CB PHE A 58 -4.266 12.928 2.330 1.00 0.00 C ATOM 879 CG PHE A 58 -5.611 13.594 2.318 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.377 13.661 3.470 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.111 14.154 1.152 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.616 14.272 3.461 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.350 14.767 1.138 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.103 14.827 2.294 1.00 0.00 C ATOM 0 H PHE A 58 -1.786 12.713 3.933 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.946 14.598 2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.040 12.566 1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.307 12.056 2.982 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.001 13.230 4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.526 14.111 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.203 14.316 4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.729 15.199 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.071 15.307 2.285 1.00 0.00 H new ATOM 894 N ASN A 59 -3.901 15.834 3.958 1.00 0.00 N ATOM 895 CA ASN A 59 -4.309 16.628 5.110 1.00 0.00 C ATOM 896 C ASN A 59 -3.123 16.903 6.029 1.00 0.00 C ATOM 897 O ASN A 59 -3.224 16.763 7.249 1.00 0.00 O ATOM 898 CB ASN A 59 -5.414 15.909 5.886 1.00 0.00 C ATOM 899 CG ASN A 59 -6.345 16.873 6.595 1.00 0.00 C ATOM 900 OD1 ASN A 59 -6.928 17.762 5.973 1.00 0.00 O ATOM 901 ND2 ASN A 59 -6.488 16.703 7.904 1.00 0.00 N ATOM 0 H ASN A 59 -3.920 16.337 3.071 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.692 17.581 4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.991 15.289 5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.963 15.239 6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.100 17.322 8.435 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.986 15.953 8.379 1.00 0.00 H new ATOM 908 N ASP A 60 -2.001 17.297 5.437 1.00 0.00 N ATOM 909 CA ASP A 60 -0.796 17.593 6.202 1.00 0.00 C ATOM 910 C ASP A 60 -0.557 16.534 7.273 1.00 0.00 C ATOM 911 O ASP A 60 -0.037 16.830 8.348 1.00 0.00 O ATOM 912 CB ASP A 60 -0.903 18.975 6.849 1.00 0.00 C ATOM 913 CG ASP A 60 -1.064 20.083 5.826 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.249 20.140 4.882 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.004 20.892 5.970 1.00 0.00 O ATOM 0 H ASP A 60 -1.901 17.419 4.429 1.00 0.00 H new ATOM 0 HA ASP A 60 0.050 17.586 5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.753 18.989 7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.011 19.163 7.447 1.00 0.00 H new ATOM 920 N GLU A 61 -0.941 15.297 6.970 1.00 0.00 N ATOM 921 CA GLU A 61 -0.770 14.194 7.909 1.00 0.00 C ATOM 922 C GLU A 61 -0.564 12.876 7.168 1.00 0.00 C ATOM 923 O GLU A 61 -1.373 12.492 6.324 1.00 0.00 O ATOM 924 CB GLU A 61 -1.987 14.087 8.832 1.00 0.00 C ATOM 925 CG GLU A 61 -2.154 15.280 9.757 1.00 0.00 C ATOM 926 CD GLU A 61 -3.437 15.216 10.565 1.00 0.00 C ATOM 927 OE1 GLU A 61 -3.593 14.260 11.352 1.00 0.00 O ATOM 928 OE2 GLU A 61 -4.282 16.123 10.410 1.00 0.00 O ATOM 0 H GLU A 61 -1.372 15.034 6.083 1.00 0.00 H new ATOM 0 HA GLU A 61 0.117 14.396 8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.885 13.980 8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.899 13.182 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.303 15.330 10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.146 16.197 9.167 1.00 0.00 H new ATOM 935 N VAL A 62 0.528 12.188 7.489 1.00 0.00 N ATOM 936 CA VAL A 62 0.842 10.914 6.855 1.00 0.00 C ATOM 937 C VAL A 62 0.035 9.779 7.474 1.00 0.00 C ATOM 938 O VAL A 62 0.254 9.402 8.626 1.00 0.00 O ATOM 939 CB VAL A 62 2.342 10.585 6.969 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.627 9.192 6.429 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.174 11.629 6.240 1.00 0.00 C ATOM 0 H VAL A 62 1.209 12.492 8.184 1.00 0.00 H new ATOM 0 HA VAL A 62 0.578 11.011 5.802 1.00 0.00 H new ATOM 0 HB VAL A 62 2.620 10.603 8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.692 8.978 6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.060 8.457 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.333 9.141 5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.231 11.380 6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.895 11.646 5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.993 12.610 6.679 1.00 0.00 H new ATOM 951 N LYS A 63 -0.899 9.235 6.701 1.00 0.00 N ATOM 952 CA LYS A 63 -1.740 8.140 7.172 1.00 0.00 C ATOM 953 C LYS A 63 -1.158 6.792 6.761 1.00 0.00 C ATOM 954 O LYS A 63 -0.640 6.638 5.653 1.00 0.00 O ATOM 955 CB LYS A 63 -3.159 8.285 6.618 1.00 0.00 C ATOM 956 CG LYS A 63 -4.011 9.284 7.381 1.00 0.00 C ATOM 957 CD LYS A 63 -3.471 10.697 7.245 1.00 0.00 C ATOM 958 CE LYS A 63 -4.472 11.728 7.742 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.398 11.904 9.220 1.00 0.00 N ATOM 0 H LYS A 63 -1.093 9.534 5.745 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.775 8.184 8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.103 8.591 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.649 7.312 6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.035 9.248 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.043 9.006 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.543 10.788 7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.230 10.896 6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.283 12.683 7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.480 11.420 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.362 12.918 9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.238 11.480 9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.543 11.437 9.583 1.00 0.00 H new ATOM 973 N HIS A 64 -1.245 5.815 7.659 1.00 0.00 N ATOM 974 CA HIS A 64 -0.728 4.479 7.388 1.00 0.00 C ATOM 975 C HIS A 64 -1.839 3.437 7.486 1.00 0.00 C ATOM 976 O HIS A 64 -2.386 3.199 8.563 1.00 0.00 O ATOM 977 CB HIS A 64 0.396 4.136 8.365 1.00 0.00 C ATOM 978 CG HIS A 64 1.665 4.889 8.107 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.764 4.325 7.496 1.00 0.00 N ATOM 980 CD2 HIS A 64 2.004 6.171 8.379 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.726 5.226 7.406 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.290 6.355 7.933 1.00 0.00 N ATOM 0 H HIS A 64 -1.669 5.924 8.580 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.332 4.468 6.373 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.060 4.345 9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.600 3.067 8.310 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.380 6.911 8.857 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.703 5.066 6.975 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.822 7.223 7.998 1.00 0.00 H new ATOM 991 N ILE A 65 -2.166 2.820 6.356 1.00 0.00 N ATOM 992 CA ILE A 65 -3.210 1.804 6.315 1.00 0.00 C ATOM 993 C ILE A 65 -2.613 0.400 6.334 1.00 0.00 C ATOM 994 O ILE A 65 -1.504 0.179 5.849 1.00 0.00 O ATOM 995 CB ILE A 65 -4.096 1.956 5.065 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.783 3.323 5.062 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.127 0.838 5.006 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.238 3.769 3.691 1.00 0.00 C ATOM 0 H ILE A 65 -1.723 3.006 5.456 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.824 1.947 7.204 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.464 1.887 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.645 3.288 5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.096 4.066 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.745 0.960 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.618 -0.125 4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.757 0.877 5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.716 4.746 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.377 3.836 3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.950 3.047 3.291 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.358 -0.546 6.896 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.905 -1.929 6.976 1.00 0.00 C ATOM 1012 C LYS A 66 -3.646 -2.803 5.969 1.00 0.00 C ATOM 1013 O LYS A 66 -4.838 -2.612 5.725 1.00 0.00 O ATOM 1014 CB LYS A 66 -3.112 -2.474 8.391 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.560 -2.443 8.849 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.299 -3.708 8.446 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.138 -4.804 9.488 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.957 -4.537 10.703 1.00 0.00 N ATOM 0 H LYS A 66 -4.278 -0.380 7.303 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.842 -1.952 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.748 -3.501 8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.507 -1.893 9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.598 -2.328 9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.060 -1.575 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.357 -3.485 8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.923 -4.060 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.430 -5.761 9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.088 -4.887 9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.998 -5.395 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.526 -3.764 11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.920 -4.266 10.420 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.934 -3.764 5.389 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.525 -4.670 4.411 1.00 0.00 C ATOM 1034 C VAL A 67 -3.715 -6.063 4.997 1.00 0.00 C ATOM 1035 O VAL A 67 -2.831 -6.591 5.673 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.656 -4.771 3.143 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.229 -5.804 2.185 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.539 -3.413 2.468 1.00 0.00 C ATOM 0 H VAL A 67 -1.947 -3.935 5.580 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.498 -4.257 4.144 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.656 -5.094 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.602 -5.862 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.256 -6.778 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.240 -5.514 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.922 -3.503 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.531 -3.058 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.080 -2.703 3.156 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.875 -6.658 4.733 1.00 0.00 N ATOM 1049 CA VAL A 68 -5.180 -7.993 5.234 1.00 0.00 C ATOM 1050 C VAL A 68 -5.250 -9.004 4.094 1.00 0.00 C ATOM 1051 O VAL A 68 -5.990 -8.814 3.129 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.514 -8.011 6.004 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.904 -9.438 6.361 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.419 -7.147 7.252 1.00 0.00 C ATOM 0 H VAL A 68 -5.618 -6.237 4.175 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.373 -8.270 5.913 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.291 -7.597 5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.849 -9.432 6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.014 -10.024 5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.129 -9.882 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.370 -7.171 7.784 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.631 -7.530 7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.188 -6.120 6.967 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.476 -10.078 4.214 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.450 -11.119 3.194 1.00 0.00 C ATOM 1066 C GLU A 69 -5.009 -12.429 3.740 1.00 0.00 C ATOM 1067 O GLU A 69 -4.345 -13.129 4.506 1.00 0.00 O ATOM 1068 CB GLU A 69 -3.023 -11.331 2.686 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.954 -12.001 1.325 1.00 0.00 C ATOM 1070 CD GLU A 69 -2.971 -13.515 1.417 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -3.990 -14.069 1.879 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -1.966 -14.143 1.026 1.00 0.00 O ATOM 0 H GLU A 69 -3.859 -10.250 5.008 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.078 -10.795 2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.519 -10.366 2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.476 -11.937 3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.796 -11.668 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.046 -11.682 0.813 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.233 -12.756 3.341 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.882 -13.983 3.788 1.00 0.00 C ATOM 1081 C LYS A 70 -7.666 -14.629 2.650 1.00 0.00 C ATOM 1082 O LYS A 70 -8.170 -13.942 1.762 1.00 0.00 O ATOM 1083 CB LYS A 70 -7.817 -13.690 4.964 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.134 -14.913 5.807 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.100 -14.579 6.932 1.00 0.00 C ATOM 1086 CE LYS A 70 -10.545 -14.624 6.458 1.00 0.00 C ATOM 1087 NZ LYS A 70 -11.470 -13.988 7.437 1.00 0.00 N ATOM 0 H LYS A 70 -6.796 -12.188 2.708 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.107 -14.678 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.362 -12.929 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.748 -13.271 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.564 -15.690 5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.212 -15.317 6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.963 -15.284 7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.875 -13.587 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.628 -14.116 5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.842 -15.660 6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.445 -14.039 7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.410 -14.488 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.202 -12.992 7.571 1.00 0.00 H new ATOM 1101 N ASP A 71 -7.766 -15.953 2.685 1.00 0.00 N ATOM 1102 CA ASP A 71 -8.491 -16.692 1.658 1.00 0.00 C ATOM 1103 C ASP A 71 -7.953 -16.363 0.269 1.00 0.00 C ATOM 1104 O ASP A 71 -8.714 -16.247 -0.690 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.985 -16.374 1.729 1.00 0.00 C ATOM 1106 CG ASP A 71 -10.713 -17.230 2.746 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -10.035 -17.956 3.504 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -11.959 -17.175 2.785 1.00 0.00 O ATOM 0 H ASP A 71 -7.354 -16.537 3.413 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.345 -17.757 1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.118 -15.322 1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.432 -16.524 0.746 1.00 0.00 H new ATOM 1113 N ASN A 72 -6.636 -16.213 0.170 1.00 0.00 N ATOM 1114 CA ASN A 72 -5.996 -15.894 -1.101 1.00 0.00 C ATOM 1115 C ASN A 72 -6.532 -14.581 -1.666 1.00 0.00 C ATOM 1116 O ASN A 72 -6.556 -14.382 -2.880 1.00 0.00 O ATOM 1117 CB ASN A 72 -6.222 -17.026 -2.106 1.00 0.00 C ATOM 1118 CG ASN A 72 -5.225 -18.157 -1.937 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -5.608 -19.310 -1.737 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -3.941 -17.830 -2.017 1.00 0.00 N ATOM 0 H ASN A 72 -5.991 -16.307 0.955 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.926 -15.782 -0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.233 -17.416 -1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.149 -16.629 -3.119 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.224 -18.548 -1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.671 -16.861 -2.184 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.957 -13.693 -0.777 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.492 -12.398 -1.187 1.00 0.00 C ATOM 1129 C TRP A 73 -6.754 -11.260 -0.491 1.00 0.00 C ATOM 1130 O TRP A 73 -6.084 -11.469 0.520 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.988 -12.320 -0.876 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.735 -13.568 -1.235 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.614 -14.254 -0.445 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -9.670 -14.280 -2.476 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -11.097 -15.348 -1.120 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -10.534 -15.386 -2.368 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -8.966 -14.088 -3.668 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -10.711 -16.296 -3.406 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -9.142 -14.993 -4.698 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -10.009 -16.085 -4.563 1.00 0.00 C ATOM 0 H TRP A 73 -6.942 -13.844 0.232 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.347 -12.296 -2.262 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.121 -12.119 0.187 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.421 -11.478 -1.416 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.888 -13.977 0.562 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.767 -16.023 -0.751 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.297 -13.248 -3.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.378 -17.139 -3.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.602 -14.856 -5.623 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.126 -16.774 -5.387 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.883 -10.055 -1.038 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.230 -8.884 -0.467 1.00 0.00 C ATOM 1153 C ILE A 74 -7.205 -7.718 -0.338 1.00 0.00 C ATOM 1154 O ILE A 74 -7.825 -7.303 -1.318 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.027 -8.440 -1.319 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.790 -9.270 -0.966 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -4.752 -6.958 -1.116 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -2.832 -9.448 -2.122 1.00 0.00 C ATOM 0 H ILE A 74 -7.434 -9.865 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.878 -9.171 0.524 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.265 -8.605 -2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.265 -8.791 -0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.109 -10.251 -0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.899 -6.660 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.628 -6.381 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.531 -6.769 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.980 -10.046 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.341 -9.955 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.484 -8.472 -2.459 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.336 -7.194 0.876 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.234 -6.073 1.133 1.00 0.00 C ATOM 1172 C HIS A 75 -7.846 -5.351 2.420 1.00 0.00 C ATOM 1173 O HIS A 75 -6.938 -5.778 3.132 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.679 -6.563 1.224 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.845 -7.789 2.068 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -10.111 -7.742 3.420 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -9.781 -9.101 1.744 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -10.204 -8.972 3.892 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -10.008 -9.816 2.895 1.00 0.00 N ATOM 0 H HIS A 75 -6.832 -7.527 1.698 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.148 -5.371 0.304 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.299 -5.765 1.632 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.047 -6.771 0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.588 -9.510 0.763 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.406 -9.242 4.918 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.023 -10.833 2.968 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.540 -4.255 2.708 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.268 -3.474 3.909 1.00 0.00 C ATOM 1190 C ILE A 76 -9.540 -3.253 4.720 1.00 0.00 C ATOM 1191 O ILE A 76 -10.610 -3.001 4.164 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.649 -2.107 3.562 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.588 -1.314 2.651 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.291 -2.293 2.901 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.216 0.147 2.525 1.00 0.00 C ATOM 0 H ILE A 76 -9.294 -3.888 2.127 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.556 -4.046 4.504 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.508 -1.544 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.588 -1.767 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.605 -1.390 3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.866 -1.318 2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.624 -2.822 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.408 -2.872 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.924 0.647 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.244 0.616 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.211 0.232 2.111 1.00 0.00 H new ATOM 1207 N THR A 77 -9.417 -3.347 6.040 1.00 0.00 N ATOM 1208 CA THR A 77 -10.557 -3.157 6.930 1.00 0.00 C ATOM 1209 C THR A 77 -11.767 -3.947 6.449 1.00 0.00 C ATOM 1210 O THR A 77 -12.909 -3.570 6.711 1.00 0.00 O ATOM 1211 CB THR A 77 -10.940 -1.669 7.041 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.860 -1.479 8.121 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.562 -1.172 5.745 1.00 0.00 C ATOM 0 H THR A 77 -8.539 -3.554 6.517 1.00 0.00 H new ATOM 0 HA THR A 77 -10.256 -3.522 7.912 1.00 0.00 H new ATOM 0 HB THR A 77 -10.032 -1.097 7.233 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.586 -2.133 8.051 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.824 -0.119 5.848 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.848 -1.290 4.930 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.460 -1.750 5.527 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.510 -5.045 5.745 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.581 -5.889 5.228 1.00 0.00 C ATOM 1223 C GLU A 78 -13.750 -5.042 4.734 1.00 0.00 C ATOM 1224 O GLU A 78 -14.900 -5.275 5.107 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.061 -6.860 6.308 1.00 0.00 C ATOM 1226 CG GLU A 78 -13.577 -8.179 5.754 1.00 0.00 C ATOM 1227 CD GLU A 78 -15.065 -8.147 5.462 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -15.858 -8.348 6.406 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -15.435 -7.922 4.292 1.00 0.00 O ATOM 0 H GLU A 78 -10.570 -5.371 5.520 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.186 -6.459 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.239 -7.061 6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.852 -6.384 6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.036 -8.421 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.368 -8.975 6.468 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.447 -4.058 3.894 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.471 -3.176 3.348 1.00 0.00 C ATOM 1238 C ALA A 79 -14.730 -3.480 1.876 1.00 0.00 C ATOM 1239 O ALA A 79 -15.817 -3.220 1.359 1.00 0.00 O ATOM 1240 CB ALA A 79 -14.065 -1.721 3.524 1.00 0.00 C ATOM 0 H ALA A 79 -12.500 -3.851 3.577 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.396 -3.352 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.840 -1.075 3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.939 -1.504 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.125 -1.540 3.002 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.725 -4.033 1.206 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.842 -4.374 -0.207 1.00 0.00 C ATOM 1248 C LYS A 80 -12.770 -5.380 -0.615 1.00 0.00 C ATOM 1249 O LYS A 80 -11.579 -5.154 -0.405 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.728 -3.115 -1.068 1.00 0.00 C ATOM 1251 CG LYS A 80 -14.489 -3.203 -2.380 1.00 0.00 C ATOM 1252 CD LYS A 80 -13.882 -4.242 -3.308 1.00 0.00 C ATOM 1253 CE LYS A 80 -14.461 -4.143 -4.710 1.00 0.00 C ATOM 1254 NZ LYS A 80 -14.509 -2.735 -5.192 1.00 0.00 N ATOM 0 H LYS A 80 -12.819 -4.255 1.619 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.820 -4.828 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.098 -2.262 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.676 -2.924 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.531 -3.455 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.485 -2.229 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.801 -4.107 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.064 -5.239 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.859 -4.741 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.466 -4.564 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.814 -2.719 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.183 -2.193 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.564 -2.308 -5.113 1.00 0.00 H new ATOM 1268 N LYS A 81 -13.202 -6.493 -1.200 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.280 -7.533 -1.640 1.00 0.00 C ATOM 1270 C LYS A 81 -11.716 -7.212 -3.020 1.00 0.00 C ATOM 1271 O LYS A 81 -12.387 -6.594 -3.847 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.986 -8.891 -1.669 1.00 0.00 C ATOM 1273 CG LYS A 81 -14.200 -8.926 -2.582 1.00 0.00 C ATOM 1274 CD LYS A 81 -13.823 -9.343 -3.994 1.00 0.00 C ATOM 1275 CE LYS A 81 -15.040 -9.386 -4.906 1.00 0.00 C ATOM 1276 NZ LYS A 81 -15.584 -8.025 -5.168 1.00 0.00 N ATOM 0 H LYS A 81 -14.185 -6.697 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.454 -7.575 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.277 -9.653 -1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.295 -9.152 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.938 -9.621 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.668 -7.942 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.089 -8.645 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.350 -10.325 -3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.769 -9.857 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.813 -10.005 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.336 -8.084 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.974 -7.632 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.822 -7.408 -5.515 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.481 -7.637 -3.264 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.827 -7.395 -4.545 1.00 0.00 C ATOM 1292 C PHE A 82 -8.939 -8.573 -4.933 1.00 0.00 C ATOM 1293 O PHE A 82 -8.241 -9.141 -4.093 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.995 -6.113 -4.482 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.825 -4.861 -4.446 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.727 -4.582 -5.460 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.703 -3.964 -3.397 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.490 -3.431 -5.430 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.465 -2.810 -3.361 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.360 -2.544 -4.378 1.00 0.00 C ATOM 0 H PHE A 82 -9.912 -8.151 -2.591 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.601 -7.281 -5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.360 -6.144 -3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.333 -6.076 -5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.835 -5.272 -6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.005 -4.168 -2.598 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.188 -3.224 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.360 -2.118 -2.538 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.957 -1.645 -4.352 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.972 -8.934 -6.211 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.170 -10.044 -6.713 1.00 0.00 C ATOM 1312 C ASP A 83 -6.785 -10.047 -6.072 1.00 0.00 C ATOM 1313 O ASP A 83 -6.217 -11.106 -5.802 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.040 -9.961 -8.234 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.657 -11.290 -8.856 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -6.545 -11.781 -8.567 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -8.467 -11.839 -9.631 1.00 0.00 O ATOM 0 H ASP A 83 -9.545 -8.474 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.676 -10.973 -6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.985 -9.623 -8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.290 -9.213 -8.491 1.00 0.00 H new ATOM 1322 N SER A 84 -6.247 -8.856 -5.831 1.00 0.00 N ATOM 1323 CA SER A 84 -4.927 -8.721 -5.226 1.00 0.00 C ATOM 1324 C SER A 84 -4.610 -7.258 -4.934 1.00 0.00 C ATOM 1325 O SER A 84 -5.360 -6.359 -5.320 1.00 0.00 O ATOM 1326 CB SER A 84 -3.858 -9.311 -6.148 1.00 0.00 C ATOM 1327 OG SER A 84 -3.805 -10.723 -6.029 1.00 0.00 O ATOM 0 H SER A 84 -6.705 -7.970 -6.045 1.00 0.00 H new ATOM 0 HA SER A 84 -4.929 -9.270 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.073 -9.038 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.885 -8.885 -5.902 1.00 0.00 H new ATOM 0 HG SER A 84 -4.610 -11.043 -5.571 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.496 -7.025 -4.249 1.00 0.00 N ATOM 1334 CA LEU A 85 -3.079 -5.671 -3.903 1.00 0.00 C ATOM 1335 C LEU A 85 -3.194 -4.741 -5.106 1.00 0.00 C ATOM 1336 O LEU A 85 -3.802 -3.673 -5.024 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.640 -5.677 -3.385 1.00 0.00 C ATOM 1338 CG LEU A 85 -1.046 -4.311 -3.035 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.775 -3.700 -1.850 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.442 -4.436 -2.744 1.00 0.00 C ATOM 0 H LEU A 85 -2.865 -7.757 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.740 -5.303 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.597 -6.308 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.006 -6.144 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.173 -3.650 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.339 -2.729 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.829 -3.574 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.681 -4.358 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.848 -3.455 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.593 -5.113 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.953 -4.829 -3.623 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.610 -5.156 -6.225 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.649 -4.362 -7.449 1.00 0.00 C ATOM 1354 C LEU A 86 -4.041 -3.782 -7.677 1.00 0.00 C ATOM 1355 O LEU A 86 -4.200 -2.575 -7.854 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.235 -5.215 -8.648 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.162 -4.492 -9.993 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.279 -3.259 -9.888 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.645 -5.430 -11.075 1.00 0.00 C ATOM 0 H LEU A 86 -2.104 -6.037 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.945 -3.537 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.258 -5.650 -8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.939 -6.042 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.167 -4.172 -10.267 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.239 -2.757 -10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.691 -2.579 -9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.273 -3.556 -9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.600 -4.899 -12.026 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.648 -5.780 -10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.317 -6.283 -11.168 1.00 0.00 H new ATOM 1371 N GLU A 87 -5.047 -4.652 -7.672 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.426 -4.226 -7.877 1.00 0.00 C ATOM 1373 C GLU A 87 -6.832 -3.178 -6.845 1.00 0.00 C ATOM 1374 O GLU A 87 -7.355 -2.118 -7.192 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.371 -5.427 -7.800 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.605 -6.105 -9.138 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.785 -5.521 -9.891 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.936 -5.850 -9.534 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -8.559 -4.736 -10.835 1.00 0.00 O ATOM 0 H GLU A 87 -4.932 -5.655 -7.528 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.497 -3.780 -8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.962 -6.156 -7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.329 -5.099 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.707 -6.013 -9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.773 -7.170 -8.977 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.587 -3.482 -5.575 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.926 -2.567 -4.490 1.00 0.00 C ATOM 1388 C LEU A 88 -6.369 -1.173 -4.759 1.00 0.00 C ATOM 1389 O LEU A 88 -7.016 -0.167 -4.465 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.384 -3.097 -3.161 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.692 -2.251 -1.926 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.743 -3.122 -0.681 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.655 -1.148 -1.765 1.00 0.00 C ATOM 0 H LEU A 88 -6.155 -4.355 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.012 -2.499 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.786 -4.098 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.302 -3.198 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.670 -1.788 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.963 -2.502 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.522 -3.876 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.780 -3.614 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.889 -0.555 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.666 -1.592 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.667 -0.506 -2.646 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.166 -1.120 -5.322 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.523 0.151 -5.635 1.00 0.00 C ATOM 1407 C VAL A 89 -5.211 0.841 -6.807 1.00 0.00 C ATOM 1408 O VAL A 89 -5.601 2.004 -6.712 1.00 0.00 O ATOM 1409 CB VAL A 89 -3.032 -0.042 -5.969 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.378 1.296 -6.282 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.315 -0.740 -4.824 1.00 0.00 C ATOM 0 H VAL A 89 -4.617 -1.943 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.610 0.777 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.955 -0.674 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.325 1.140 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.876 1.753 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.464 1.954 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.263 -0.868 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.400 -0.137 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.768 -1.716 -4.652 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.356 0.115 -7.911 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.997 0.659 -9.104 1.00 0.00 C ATOM 1423 C GLU A 90 -7.407 1.151 -8.786 1.00 0.00 C ATOM 1424 O GLU A 90 -7.929 2.042 -9.455 1.00 0.00 O ATOM 1425 CB GLU A 90 -6.050 -0.397 -10.208 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.688 -0.739 -10.790 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.785 -1.435 -12.134 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -5.772 -1.188 -12.858 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -3.875 -2.225 -12.460 1.00 0.00 O ATOM 0 H GLU A 90 -5.039 -0.850 -8.005 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.404 1.506 -9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.504 -1.304 -9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.699 -0.041 -11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.104 0.175 -10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.149 -1.379 -10.092 1.00 0.00 H new ATOM 1436 N TYR A 91 -8.016 0.562 -7.763 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.366 0.937 -7.359 1.00 0.00 C ATOM 1438 C TYR A 91 -9.387 2.344 -6.770 1.00 0.00 C ATOM 1439 O TYR A 91 -10.168 3.196 -7.195 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.912 -0.063 -6.339 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.324 0.239 -5.890 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -11.565 1.073 -4.806 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -12.416 -0.309 -6.552 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -12.853 1.352 -4.392 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.708 -0.035 -6.146 1.00 0.00 C ATOM 1446 CZ TYR A 91 -13.922 0.795 -5.065 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.206 1.071 -4.656 1.00 0.00 O ATOM 0 H TYR A 91 -7.597 -0.177 -7.199 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.000 0.924 -8.246 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.884 -1.063 -6.772 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.257 -0.074 -5.468 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -10.731 1.511 -4.278 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -12.252 -0.960 -7.398 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.023 2.002 -3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -14.546 -0.468 -6.672 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.842 0.602 -5.236 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.523 2.580 -5.790 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.442 3.884 -5.139 1.00 0.00 C ATOM 1459 C TYR A 92 -7.770 4.906 -6.051 1.00 0.00 C ATOM 1460 O TYR A 92 -8.029 6.105 -5.952 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.672 3.773 -3.823 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.355 2.903 -2.792 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.712 3.041 -2.527 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.644 1.943 -2.083 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.340 2.249 -1.587 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -8.265 1.145 -1.141 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.612 1.303 -0.896 1.00 0.00 C ATOM 1468 OH TYR A 92 -10.235 0.511 0.042 1.00 0.00 O ATOM 0 H TYR A 92 -7.868 1.886 -5.428 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.457 4.222 -4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.680 3.370 -4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.532 4.771 -3.408 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.285 3.781 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.588 1.818 -2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.396 2.369 -1.394 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.698 0.402 -0.600 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.729 -0.321 0.156 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.907 4.422 -6.938 1.00 0.00 N ATOM 1479 CA GLN A 93 -6.198 5.293 -7.868 1.00 0.00 C ATOM 1480 C GLN A 93 -7.164 6.240 -8.571 1.00 0.00 C ATOM 1481 O GLN A 93 -6.769 7.307 -9.044 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.438 4.461 -8.901 1.00 0.00 C ATOM 1483 CG GLN A 93 -4.058 4.025 -8.435 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.340 3.165 -9.458 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.875 2.881 -10.531 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -2.123 2.747 -9.131 1.00 0.00 N ATOM 0 H GLN A 93 -6.682 3.432 -7.032 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.486 5.888 -7.297 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.026 3.576 -9.146 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.336 5.041 -9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.455 4.908 -8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.153 3.470 -7.502 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.719 3.007 -8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.592 2.166 -9.780 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.431 5.844 -8.637 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.453 6.657 -9.285 1.00 0.00 C ATOM 1497 C CYS A 94 -10.570 7.007 -8.306 1.00 0.00 C ATOM 1498 O CYS A 94 -11.181 8.072 -8.400 1.00 0.00 O ATOM 1499 CB CYS A 94 -10.031 5.919 -10.494 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.898 5.802 -11.898 1.00 0.00 S ATOM 0 H CYS A 94 -8.774 4.965 -8.250 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.986 7.582 -9.623 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -10.319 4.913 -10.189 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.940 6.427 -10.816 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.476 5.160 -12.869 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.831 6.104 -7.366 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.876 6.316 -6.371 1.00 0.00 C ATOM 1508 C HIS A 95 -11.277 6.791 -5.050 1.00 0.00 C ATOM 1509 O HIS A 95 -10.362 6.167 -4.513 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.669 5.029 -6.151 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.732 4.149 -7.361 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.627 2.775 -7.299 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.890 4.454 -8.671 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.717 2.274 -8.518 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.878 3.271 -9.369 1.00 0.00 N ATOM 0 H HIS A 95 -10.333 5.219 -7.273 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.549 7.088 -6.744 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.220 4.471 -5.329 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.683 5.285 -5.845 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.500 2.231 -6.446 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -13.004 5.443 -9.089 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.667 1.226 -8.775 1.00 0.00 H new ATOM 1524 N SER A 96 -11.800 7.898 -4.533 1.00 0.00 N ATOM 1525 CA SER A 96 -11.315 8.459 -3.277 1.00 0.00 C ATOM 1526 C SER A 96 -11.301 7.401 -2.179 1.00 0.00 C ATOM 1527 O SER A 96 -12.050 6.424 -2.232 1.00 0.00 O ATOM 1528 CB SER A 96 -12.188 9.641 -2.851 1.00 0.00 C ATOM 1529 OG SER A 96 -11.898 10.035 -1.521 1.00 0.00 O ATOM 0 H SER A 96 -12.560 8.424 -4.964 1.00 0.00 H new ATOM 0 HA SER A 96 -10.294 8.808 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.024 10.481 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.240 9.368 -2.932 1.00 0.00 H new ATOM 0 HG SER A 96 -12.539 10.719 -1.235 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.444 7.600 -1.184 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.331 6.664 -0.072 1.00 0.00 C ATOM 1537 C LEU A 97 -11.343 6.992 1.021 1.00 0.00 C ATOM 1538 O LEU A 97 -11.262 6.474 2.135 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.914 6.694 0.505 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.887 5.803 -0.194 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.494 6.404 -0.080 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.913 4.399 0.391 1.00 0.00 C ATOM 0 H LEU A 97 -9.817 8.402 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.542 5.664 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.553 7.722 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.964 6.403 1.554 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.148 5.740 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.776 5.756 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.483 7.389 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.223 6.498 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.176 3.779 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.677 4.443 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.905 3.967 0.257 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.301 7.855 0.695 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.332 8.250 1.646 1.00 0.00 C ATOM 1556 C LYS A 98 -14.214 7.062 2.018 1.00 0.00 C ATOM 1557 O LYS A 98 -14.610 6.910 3.173 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.192 9.373 1.060 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.308 8.877 0.158 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.216 10.012 -0.281 1.00 0.00 C ATOM 1561 CE LYS A 98 -17.394 9.500 -1.097 1.00 0.00 C ATOM 1562 NZ LYS A 98 -18.148 10.613 -1.741 1.00 0.00 N ATOM 0 H LYS A 98 -12.384 8.294 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.839 8.611 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.626 9.951 1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.553 10.051 0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.880 8.392 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.894 8.123 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.584 10.545 0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.645 10.728 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.034 8.814 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.064 8.933 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.942 10.223 -2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.513 11.254 -1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -17.515 11.139 -2.377 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.515 6.223 1.032 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.349 5.048 1.257 1.00 0.00 C ATOM 1578 C GLU A 99 -14.875 4.272 2.483 1.00 0.00 C ATOM 1579 O GLU A 99 -15.674 3.898 3.341 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.333 4.140 0.026 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.932 4.783 -1.213 1.00 0.00 C ATOM 1582 CD GLU A 99 -17.449 4.789 -1.191 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -18.026 4.761 -0.084 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -18.058 4.821 -2.281 1.00 0.00 O ATOM 0 H GLU A 99 -14.194 6.335 0.070 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.370 5.387 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.304 3.849 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.882 3.226 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.569 5.807 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.587 4.249 -2.098 1.00 0.00 H new ATOM 1591 N SER A 100 -13.570 4.032 2.556 1.00 0.00 N ATOM 1592 CA SER A 100 -12.989 3.296 3.673 1.00 0.00 C ATOM 1593 C SER A 100 -12.763 4.215 4.869 1.00 0.00 C ATOM 1594 O SER A 100 -13.028 3.842 6.012 1.00 0.00 O ATOM 1595 CB SER A 100 -11.667 2.651 3.253 1.00 0.00 C ATOM 1596 OG SER A 100 -10.718 3.633 2.874 1.00 0.00 O ATOM 0 H SER A 100 -12.895 4.336 1.855 1.00 0.00 H new ATOM 0 HA SER A 100 -13.690 2.514 3.965 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.271 2.057 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.840 1.968 2.421 1.00 0.00 H new ATOM 0 HG SER A 100 -9.996 3.663 3.536 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.269 5.419 4.598 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.006 6.392 5.652 1.00 0.00 C ATOM 1604 C PHE A 101 -12.556 7.764 5.275 1.00 0.00 C ATOM 1605 O PHE A 101 -11.918 8.523 4.543 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.502 6.489 5.921 1.00 0.00 C ATOM 1607 CG PHE A 101 -9.834 5.153 6.078 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -9.864 4.487 7.292 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.177 4.563 5.010 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -9.249 3.258 7.439 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.561 3.334 5.151 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.598 2.680 6.368 1.00 0.00 C ATOM 0 H PHE A 101 -12.043 5.744 3.658 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.510 6.055 6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.028 7.029 5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.340 7.076 6.825 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.374 4.933 8.133 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.146 5.069 4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.278 2.750 8.392 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.051 2.885 4.311 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.119 1.719 6.481 1.00 0.00 H new ATOM 1622 N LYS A 102 -13.745 8.078 5.778 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.383 9.358 5.496 1.00 0.00 C ATOM 1624 C LYS A 102 -13.404 10.510 5.702 1.00 0.00 C ATOM 1625 O LYS A 102 -13.238 11.359 4.826 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.608 9.549 6.392 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.305 9.414 7.875 1.00 0.00 C ATOM 1628 CD LYS A 102 -16.578 9.392 8.705 1.00 0.00 C ATOM 1629 CE LYS A 102 -16.303 9.754 10.156 1.00 0.00 C ATOM 1630 NZ LYS A 102 -15.621 8.648 10.884 1.00 0.00 N ATOM 0 H LYS A 102 -14.287 7.462 6.384 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.701 9.356 4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.034 10.535 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.367 8.816 6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.740 8.499 8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.675 10.244 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.300 10.092 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.029 8.401 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.684 10.651 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.242 9.992 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.451 8.934 11.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.222 7.799 10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.713 8.437 10.423 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.760 10.533 6.865 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.798 11.581 7.184 1.00 0.00 C ATOM 1646 C GLN A 103 -10.786 11.753 6.056 1.00 0.00 C ATOM 1647 O GLN A 103 -10.314 12.861 5.794 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.072 11.255 8.491 1.00 0.00 C ATOM 1649 CG GLN A 103 -11.937 11.438 9.728 1.00 0.00 C ATOM 1650 CD GLN A 103 -12.507 12.838 9.840 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -13.724 13.025 9.866 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -11.629 13.832 9.907 1.00 0.00 N ATOM 0 H GLN A 103 -12.887 9.838 7.601 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.344 12.517 7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.719 10.224 8.454 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.191 11.891 8.576 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.755 10.718 9.704 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -11.345 11.219 10.616 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.629 13.632 9.882 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.954 14.796 9.983 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.456 10.651 5.391 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.499 10.680 4.290 1.00 0.00 C ATOM 1663 C LEU A 104 -10.217 10.684 2.945 1.00 0.00 C ATOM 1664 O LEU A 104 -10.929 9.737 2.607 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.557 9.478 4.375 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.149 9.688 3.818 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.218 10.211 4.901 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.610 8.392 3.229 1.00 0.00 C ATOM 0 H LEU A 104 -10.837 9.727 5.595 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.916 11.597 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.472 9.182 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.016 8.644 3.844 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.201 10.432 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.221 10.354 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.595 11.162 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.171 9.492 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.607 8.560 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.573 7.627 4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.264 8.059 2.423 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.023 11.752 2.179 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.650 11.877 0.868 1.00 0.00 C ATOM 1682 C ASP A 105 -9.620 12.252 -0.193 1.00 0.00 C ATOM 1683 O ASP A 105 -9.315 13.429 -0.391 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.763 12.926 0.910 1.00 0.00 C ATOM 1685 CG ASP A 105 -12.475 13.067 -0.421 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -13.289 12.180 -0.757 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -12.220 14.064 -1.129 1.00 0.00 O ATOM 0 H ASP A 105 -9.437 12.544 2.443 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.081 10.911 0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.486 12.654 1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.340 13.889 1.197 1.00 0.00 H new ATOM 1692 N THR A 106 -9.084 11.243 -0.873 1.00 0.00 N ATOM 1693 CA THR A 106 -8.086 11.466 -1.911 1.00 0.00 C ATOM 1694 C THR A 106 -7.866 10.206 -2.741 1.00 0.00 C ATOM 1695 O THR A 106 -8.336 9.125 -2.385 1.00 0.00 O ATOM 1696 CB THR A 106 -6.740 11.913 -1.311 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.850 12.323 -2.355 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.105 10.787 -0.508 1.00 0.00 C ATOM 0 H THR A 106 -9.325 10.263 -0.723 1.00 0.00 H new ATOM 0 HA THR A 106 -8.470 12.259 -2.553 1.00 0.00 H new ATOM 0 HB THR A 106 -6.926 12.754 -0.643 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.997 12.607 -1.965 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.155 11.126 -0.094 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.772 10.498 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.932 9.929 -1.158 1.00 0.00 H new ATOM 1706 N THR A 107 -7.148 10.352 -3.850 1.00 0.00 N ATOM 1707 CA THR A 107 -6.865 9.226 -4.731 1.00 0.00 C ATOM 1708 C THR A 107 -5.398 9.206 -5.145 1.00 0.00 C ATOM 1709 O THR A 107 -4.838 10.231 -5.533 1.00 0.00 O ATOM 1710 CB THR A 107 -7.743 9.269 -5.996 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.499 10.479 -6.722 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.218 9.177 -5.635 1.00 0.00 C ATOM 0 H THR A 107 -6.752 11.239 -4.159 1.00 0.00 H new ATOM 0 HA THR A 107 -7.093 8.320 -4.169 1.00 0.00 H new ATOM 0 HB THR A 107 -7.484 8.413 -6.620 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.060 10.497 -7.525 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.818 9.209 -6.544 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.406 8.241 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.488 10.015 -4.992 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.780 8.032 -5.060 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.378 7.879 -5.426 1.00 0.00 C ATOM 1722 C LEU A 108 -3.035 8.733 -6.642 1.00 0.00 C ATOM 1723 O LEU A 108 -3.366 8.381 -7.775 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.064 6.410 -5.716 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.690 5.390 -4.765 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.164 3.992 -5.058 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.416 5.771 -3.318 1.00 0.00 C ATOM 0 H LEU A 108 -5.229 7.173 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.771 8.216 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.394 6.182 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.982 6.280 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.769 5.391 -4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.621 3.280 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.412 3.717 -6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.082 3.976 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.869 5.034 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.340 5.800 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.842 6.753 -3.113 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.368 9.857 -6.401 1.00 0.00 N ATOM 1740 CA LYS A 109 -1.977 10.761 -7.476 1.00 0.00 C ATOM 1741 C LYS A 109 -0.553 10.472 -7.939 1.00 0.00 C ATOM 1742 O LYS A 109 -0.342 9.891 -9.004 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.089 12.216 -7.013 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.451 12.834 -7.272 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.722 14.001 -6.337 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.399 13.543 -5.055 1.00 0.00 C ATOM 1747 NZ LYS A 109 -5.204 14.631 -4.433 1.00 0.00 N ATOM 0 H LYS A 109 -2.087 10.164 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.653 10.600 -8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.874 12.266 -5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.328 12.809 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.506 13.175 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.225 12.077 -7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.784 14.501 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.353 14.733 -6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.044 12.691 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.644 13.201 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.676 14.269 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.579 15.421 -4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.920 14.964 -5.110 1.00 0.00 H new ATOM 1761 N TYR A 110 0.420 10.878 -7.132 1.00 0.00 N ATOM 1762 CA TYR A 110 1.824 10.663 -7.459 1.00 0.00 C ATOM 1763 C TYR A 110 2.460 9.657 -6.504 1.00 0.00 C ATOM 1764 O TYR A 110 2.076 9.540 -5.340 1.00 0.00 O ATOM 1765 CB TYR A 110 2.591 11.987 -7.407 1.00 0.00 C ATOM 1766 CG TYR A 110 1.807 13.162 -7.947 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.808 13.458 -9.304 1.00 0.00 C ATOM 1768 CD2 TYR A 110 1.065 13.975 -7.099 1.00 0.00 C ATOM 1769 CE1 TYR A 110 1.095 14.532 -9.801 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.347 15.049 -7.587 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.364 15.324 -8.939 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.349 16.392 -9.431 1.00 0.00 O ATOM 0 H TYR A 110 0.262 11.358 -6.246 1.00 0.00 H new ATOM 0 HA TYR A 110 1.876 10.259 -8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.874 12.193 -6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.515 11.885 -7.976 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.376 12.838 -9.982 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.050 13.763 -6.040 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.110 14.751 -10.859 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.225 15.670 -6.914 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.809 16.846 -8.694 1.00 0.00 H new ATOM 1782 N PRO A 111 3.456 8.914 -7.007 1.00 0.00 N ATOM 1783 CA PRO A 111 4.166 7.904 -6.216 1.00 0.00 C ATOM 1784 C PRO A 111 5.046 8.527 -5.137 1.00 0.00 C ATOM 1785 O PRO A 111 5.054 9.745 -4.956 1.00 0.00 O ATOM 1786 CB PRO A 111 5.028 7.182 -7.255 1.00 0.00 C ATOM 1787 CG PRO A 111 5.224 8.179 -8.345 1.00 0.00 C ATOM 1788 CD PRO A 111 3.966 9.000 -8.386 1.00 0.00 C ATOM 0 HA PRO A 111 3.479 7.248 -5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.981 6.869 -6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.533 6.284 -7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.093 8.807 -8.148 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.398 7.684 -9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.169 10.031 -8.676 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.250 8.602 -9.105 1.00 0.00 H new ATOM 1796 N TYR A 112 5.783 7.684 -4.423 1.00 0.00 N ATOM 1797 CA TYR A 112 6.663 8.153 -3.359 1.00 0.00 C ATOM 1798 C TYR A 112 7.971 8.693 -3.932 1.00 0.00 C ATOM 1799 O TYR A 112 8.138 8.783 -5.148 1.00 0.00 O ATOM 1800 CB TYR A 112 6.956 7.020 -2.374 1.00 0.00 C ATOM 1801 CG TYR A 112 8.186 6.214 -2.725 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.165 5.300 -3.772 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.367 6.365 -2.010 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.286 4.561 -4.097 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.493 5.630 -2.329 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.448 4.729 -3.373 1.00 0.00 C ATOM 1807 OH TYR A 112 11.566 3.995 -3.692 1.00 0.00 O ATOM 0 H TYR A 112 5.789 6.673 -4.561 1.00 0.00 H new ATOM 0 HA TYR A 112 6.155 8.962 -2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.080 7.441 -1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.095 6.353 -2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.257 5.165 -4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.406 7.068 -1.191 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.253 3.855 -4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.404 5.760 -1.764 1.00 0.00 H new ATOM 0 HH TYR A 112 12.298 4.234 -3.086 1.00 0.00 H new ATOM 1817 N SER A 113 8.894 9.050 -3.046 1.00 0.00 N ATOM 1818 CA SER A 113 10.186 9.585 -3.462 1.00 0.00 C ATOM 1819 C SER A 113 10.649 8.936 -4.762 1.00 0.00 C ATOM 1820 O SER A 113 11.047 9.621 -5.704 1.00 0.00 O ATOM 1821 CB SER A 113 11.231 9.361 -2.367 1.00 0.00 C ATOM 1822 OG SER A 113 12.526 9.719 -2.818 1.00 0.00 O ATOM 0 H SER A 113 8.772 8.979 -2.036 1.00 0.00 H new ATOM 0 HA SER A 113 10.071 10.656 -3.631 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.973 9.951 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.225 8.314 -2.062 1.00 0.00 H new ATOM 0 HG SER A 113 13.176 9.568 -2.100 1.00 0.00 H new