USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 TYR OH : rot 104:sc= 1.63 USER MOD Set 1.2: A 106 TYR OH : rot 47:sc= 1.21 USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.678 K(o=-3.2,f=-4) USER MOD Set 2.2: A 68 GLN : amide:sc= -2.47! C(o=-3.2!,f=-6.9!) USER MOD Set 3.1: A 23 TYR OH : rot -172:sc= 0.741 USER MOD Set 3.2: A 46 HIS : no HD1:sc= -3.2 K(o=-2.5,f=-5.8!) USER MOD Set 4.1: A 30 ASN :FLIP amide:sc= -0.622 F(o=-6.7!,f=-0.061) USER MOD Set 4.2: A 33 THR OG1 : rot -11:sc= 0.247 USER MOD Set 4.3: A 34 SER OG : rot 38:sc= 0.314 USER MOD Single : A 16 CYS SG : rot 160:sc= -0.611 USER MOD Single : A 17 GLN : amide:sc= 0.376 K(o=0.38,f=-2!) USER MOD Single : A 18 MET CE :methyl -133:sc= -0.195 (180deg=-2.17!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -73:sc= -0.321! USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 27 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.6!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.265 USER MOD Single : A 42 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.7!) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0506) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -5.32! C(o=-8.6!,f=-5.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.000615) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= 0.0654 F(o=-1.4,f=0.065) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -6.1! C(o=-6.1!,f=-9.1!) USER MOD Single : A 69 ASN : amide:sc= -1 X(o=-1,f=-0.52) USER MOD Single : A 72 ASN : amide:sc= -5.7! C(o=-5.7!,f=-8.1!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.742) USER MOD Single : A 90 ASN : amide:sc=-0.00659 X(o=-0.0066,f=-0.45) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 80:sc= 0.858 USER MOD Single : A 105 THR OG1 : rot -68:sc= 1.22 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -71:sc= 0.741 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.971 7.145 -1.589 1.00 0.00 N ATOM 99 CA ASP A 10 12.719 7.394 -3.003 1.00 0.00 C ATOM 100 C ASP A 10 12.402 6.093 -3.735 1.00 0.00 C ATOM 101 O ASP A 10 11.490 6.040 -4.559 1.00 0.00 O ATOM 102 CB ASP A 10 13.929 8.073 -3.648 1.00 0.00 C ATOM 103 CG ASP A 10 14.275 9.390 -2.980 1.00 0.00 C ATOM 104 OD1 ASP A 10 14.549 9.385 -1.761 1.00 0.00 O ATOM 105 OD2 ASP A 10 14.274 10.426 -3.677 1.00 0.00 O ATOM 0 HA ASP A 10 11.856 8.055 -3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.789 7.405 -3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.725 8.247 -4.704 1.00 0.00 H new ATOM 110 N ALA A 11 13.162 5.047 -3.429 1.00 0.00 N ATOM 111 CA ALA A 11 12.961 3.747 -4.057 1.00 0.00 C ATOM 112 C ALA A 11 11.535 3.250 -3.846 1.00 0.00 C ATOM 113 O ALA A 11 10.930 2.667 -4.746 1.00 0.00 O ATOM 114 CB ALA A 11 13.961 2.738 -3.512 1.00 0.00 C ATOM 0 H ALA A 11 13.923 5.074 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 11 13.123 3.859 -5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.800 1.772 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.974 3.081 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.826 2.638 -2.435 1.00 0.00 H new ATOM 120 N LEU A 12 11.005 3.481 -2.650 1.00 0.00 N ATOM 121 CA LEU A 12 9.649 3.056 -2.320 1.00 0.00 C ATOM 122 C LEU A 12 8.617 3.959 -2.987 1.00 0.00 C ATOM 123 O LEU A 12 7.754 3.489 -3.731 1.00 0.00 O ATOM 124 CB LEU A 12 9.446 3.065 -0.803 1.00 0.00 C ATOM 125 CG LEU A 12 8.250 2.268 -0.282 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.453 0.780 -0.524 1.00 0.00 C ATOM 127 CD2 LEU A 12 8.030 2.544 1.199 1.00 0.00 C ATOM 0 H LEU A 12 11.493 3.960 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 12 9.512 2.041 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.349 2.676 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.338 4.099 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 12 7.361 2.586 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.592 0.229 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.561 0.597 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.352 0.446 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.175 1.969 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.919 2.255 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.838 3.607 1.346 1.00 0.00 H new ATOM 139 N LEU A 13 8.712 5.256 -2.719 1.00 0.00 N ATOM 140 CA LEU A 13 7.788 6.227 -3.297 1.00 0.00 C ATOM 141 C LEU A 13 7.584 5.966 -4.786 1.00 0.00 C ATOM 142 O LEU A 13 6.455 5.970 -5.279 1.00 0.00 O ATOM 143 CB LEU A 13 8.311 7.648 -3.084 1.00 0.00 C ATOM 144 CG LEU A 13 7.431 8.776 -3.625 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.133 8.865 -2.840 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.176 10.102 -3.580 1.00 0.00 C ATOM 0 H LEU A 13 9.419 5.661 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 13 6.827 6.121 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.452 7.805 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.293 7.726 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 13 7.188 8.554 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.521 9.673 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.591 7.923 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.355 9.063 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.535 10.893 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.450 10.330 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.077 10.034 -4.189 1.00 0.00 H new ATOM 158 N LEU A 14 8.683 5.737 -5.497 1.00 0.00 N ATOM 159 CA LEU A 14 8.625 5.471 -6.930 1.00 0.00 C ATOM 160 C LEU A 14 7.818 4.209 -7.217 1.00 0.00 C ATOM 161 O LEU A 14 7.023 4.169 -8.156 1.00 0.00 O ATOM 162 CB LEU A 14 10.037 5.328 -7.499 1.00 0.00 C ATOM 163 CG LEU A 14 10.138 4.719 -8.898 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.488 5.632 -9.926 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.592 4.454 -9.260 1.00 0.00 C ATOM 0 H LEU A 14 9.624 5.730 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 14 8.130 6.314 -7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.501 6.314 -7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.623 4.715 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 14 9.605 3.768 -8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.570 5.182 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.436 5.771 -9.676 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.992 6.599 -9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.645 4.021 -10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.148 5.391 -9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.026 3.760 -8.540 1.00 0.00 H new ATOM 177 N TRP A 15 8.027 3.181 -6.403 1.00 0.00 N ATOM 178 CA TRP A 15 7.318 1.918 -6.568 1.00 0.00 C ATOM 179 C TRP A 15 5.810 2.137 -6.573 1.00 0.00 C ATOM 180 O TRP A 15 5.133 1.841 -7.558 1.00 0.00 O ATOM 181 CB TRP A 15 7.701 0.943 -5.453 1.00 0.00 C ATOM 182 CG TRP A 15 7.259 -0.464 -5.716 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.747 -1.312 -6.669 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.239 -1.187 -5.019 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.091 -2.518 -6.606 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.162 -2.466 -5.600 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.383 -0.877 -3.957 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.264 -3.434 -5.156 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.492 -1.838 -3.518 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.439 -3.104 -4.116 1.00 0.00 C ATOM 0 H TRP A 15 8.682 3.197 -5.621 1.00 0.00 H new ATOM 0 HA TRP A 15 7.608 1.491 -7.528 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.783 0.958 -5.323 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.263 1.285 -4.515 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.533 -1.070 -7.369 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.267 -3.321 -7.210 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.418 0.096 -3.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.221 -4.410 -5.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.825 -1.609 -2.700 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.733 -3.834 -3.749 1.00 0.00 H new ATOM 201 N CYS A 16 5.288 2.657 -5.467 1.00 0.00 N ATOM 202 CA CYS A 16 3.858 2.916 -5.344 1.00 0.00 C ATOM 203 C CYS A 16 3.365 3.796 -6.488 1.00 0.00 C ATOM 204 O CYS A 16 2.270 3.592 -7.011 1.00 0.00 O ATOM 205 CB CYS A 16 3.553 3.584 -4.002 1.00 0.00 C ATOM 206 SG CYS A 16 4.092 2.630 -2.564 1.00 0.00 S ATOM 0 H CYS A 16 5.834 2.907 -4.643 1.00 0.00 H new ATOM 0 HA CYS A 16 3.335 1.961 -5.393 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.034 4.562 -3.977 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.479 3.755 -3.929 1.00 0.00 H new ATOM 0 HG CYS A 16 4.190 3.416 -1.533 1.00 0.00 H new ATOM 212 N GLN A 17 4.178 4.774 -6.869 1.00 0.00 N ATOM 213 CA GLN A 17 3.823 5.687 -7.949 1.00 0.00 C ATOM 214 C GLN A 17 3.664 4.935 -9.266 1.00 0.00 C ATOM 215 O GLN A 17 2.746 5.207 -10.040 1.00 0.00 O ATOM 216 CB GLN A 17 4.886 6.776 -8.096 1.00 0.00 C ATOM 217 CG GLN A 17 4.622 8.003 -7.238 1.00 0.00 C ATOM 218 CD GLN A 17 5.365 9.231 -7.731 1.00 0.00 C ATOM 219 OE1 GLN A 17 5.950 9.223 -8.814 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.346 10.293 -6.935 1.00 0.00 N ATOM 0 H GLN A 17 5.088 4.955 -6.446 1.00 0.00 H new ATOM 0 HA GLN A 17 2.870 6.152 -7.699 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.859 6.361 -7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.942 7.079 -9.142 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.552 8.211 -7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.917 7.793 -6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.848 10.255 -6.046 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.829 11.147 -7.213 1.00 0.00 H new ATOM 229 N MET A 18 4.563 3.988 -9.514 1.00 0.00 N ATOM 230 CA MET A 18 4.521 3.197 -10.739 1.00 0.00 C ATOM 231 C MET A 18 3.320 2.257 -10.737 1.00 0.00 C ATOM 232 O MET A 18 2.616 2.129 -11.739 1.00 0.00 O ATOM 233 CB MET A 18 5.813 2.392 -10.896 1.00 0.00 C ATOM 234 CG MET A 18 7.029 3.251 -11.199 1.00 0.00 C ATOM 235 SD MET A 18 8.408 2.293 -11.858 1.00 0.00 S ATOM 236 CE MET A 18 8.950 1.426 -10.387 1.00 0.00 C ATOM 0 H MET A 18 5.329 3.750 -8.884 1.00 0.00 H new ATOM 0 HA MET A 18 4.423 3.882 -11.581 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.995 1.829 -9.980 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.683 1.664 -11.697 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.753 4.024 -11.916 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.347 3.759 -10.288 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.034 1.501 -10.299 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.483 1.872 -9.509 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.663 0.377 -10.457 1.00 0.00 H new ATOM 246 N LYS A 19 3.091 1.599 -9.605 1.00 0.00 N ATOM 247 CA LYS A 19 1.974 0.670 -9.472 1.00 0.00 C ATOM 248 C LYS A 19 0.642 1.412 -9.509 1.00 0.00 C ATOM 249 O LYS A 19 -0.196 1.163 -10.377 1.00 0.00 O ATOM 250 CB LYS A 19 2.094 -0.119 -8.166 1.00 0.00 C ATOM 251 CG LYS A 19 3.421 -0.841 -8.011 1.00 0.00 C ATOM 252 CD LYS A 19 3.659 -1.819 -9.149 1.00 0.00 C ATOM 253 CE LYS A 19 4.661 -2.894 -8.759 1.00 0.00 C ATOM 254 NZ LYS A 19 5.073 -3.720 -9.928 1.00 0.00 N ATOM 0 H LYS A 19 3.664 1.692 -8.766 1.00 0.00 H new ATOM 0 HA LYS A 19 2.007 -0.023 -10.313 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.961 0.563 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.285 -0.848 -8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.231 -0.113 -7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.437 -1.376 -7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.716 -2.285 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.024 -1.280 -10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.541 -2.427 -8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.224 -3.538 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.756 -4.441 -9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.237 -4.186 -10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.513 -3.110 -10.646 1.00 0.00 H new ATOM 268 N THR A 20 0.452 2.328 -8.564 1.00 0.00 N ATOM 269 CA THR A 20 -0.778 3.106 -8.489 1.00 0.00 C ATOM 270 C THR A 20 -1.013 3.886 -9.776 1.00 0.00 C ATOM 271 O THR A 20 -2.142 4.265 -10.087 1.00 0.00 O ATOM 272 CB THR A 20 -0.749 4.090 -7.304 1.00 0.00 C ATOM 273 OG1 THR A 20 0.310 5.038 -7.480 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.559 3.348 -5.989 1.00 0.00 C ATOM 0 H THR A 20 1.135 2.549 -7.840 1.00 0.00 H new ATOM 0 HA THR A 20 -1.593 2.397 -8.343 1.00 0.00 H new ATOM 0 HB THR A 20 -1.704 4.615 -7.272 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.172 4.599 -7.322 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.542 4.063 -5.167 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.382 2.648 -5.844 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.383 2.800 -6.013 1.00 0.00 H new ATOM 282 N ALA A 21 0.060 4.123 -10.524 1.00 0.00 N ATOM 283 CA ALA A 21 -0.031 4.857 -11.780 1.00 0.00 C ATOM 284 C ALA A 21 -1.190 4.347 -12.631 1.00 0.00 C ATOM 285 O ALA A 21 -1.913 5.129 -13.246 1.00 0.00 O ATOM 286 CB ALA A 21 1.278 4.751 -12.549 1.00 0.00 C ATOM 0 H ALA A 21 1.002 3.817 -10.282 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.219 5.905 -11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.196 5.304 -13.485 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.087 5.170 -11.950 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.490 3.704 -12.764 1.00 0.00 H new ATOM 292 N GLY A 22 -1.359 3.029 -12.663 1.00 0.00 N ATOM 293 CA GLY A 22 -2.430 2.437 -13.442 1.00 0.00 C ATOM 294 C GLY A 22 -3.714 3.240 -13.366 1.00 0.00 C ATOM 295 O GLY A 22 -4.423 3.388 -14.363 1.00 0.00 O ATOM 0 H GLY A 22 -0.773 2.360 -12.163 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.116 2.356 -14.483 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.617 1.424 -13.086 1.00 0.00 H new ATOM 299 N TYR A 23 -4.017 3.758 -12.182 1.00 0.00 N ATOM 300 CA TYR A 23 -5.226 4.547 -11.978 1.00 0.00 C ATOM 301 C TYR A 23 -4.926 6.040 -12.078 1.00 0.00 C ATOM 302 O TYR A 23 -3.947 6.541 -11.526 1.00 0.00 O ATOM 303 CB TYR A 23 -5.844 4.230 -10.615 1.00 0.00 C ATOM 304 CG TYR A 23 -5.832 2.757 -10.273 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.664 2.130 -9.854 1.00 0.00 C ATOM 306 CD2 TYR A 23 -6.989 1.993 -10.366 1.00 0.00 C ATOM 307 CE1 TYR A 23 -4.650 0.785 -9.542 1.00 0.00 C ATOM 308 CE2 TYR A 23 -6.982 0.648 -10.054 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.811 0.048 -9.643 1.00 0.00 C ATOM 310 OH TYR A 23 -5.800 -1.292 -9.330 1.00 0.00 O ATOM 0 H TYR A 23 -3.441 3.646 -11.347 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.937 4.284 -12.762 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.303 4.778 -9.844 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.873 4.590 -10.599 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.753 2.704 -9.771 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.909 2.459 -10.688 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.734 0.312 -9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.890 0.069 -10.132 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.660 -1.693 -9.577 1.00 0.00 H new ATOM 320 N PRO A 24 -5.789 6.768 -12.801 1.00 0.00 N ATOM 321 CA PRO A 24 -5.641 8.214 -12.991 1.00 0.00 C ATOM 322 C PRO A 24 -5.902 8.997 -11.709 1.00 0.00 C ATOM 323 O PRO A 24 -5.095 9.833 -11.306 1.00 0.00 O ATOM 324 CB PRO A 24 -6.701 8.545 -14.045 1.00 0.00 C ATOM 325 CG PRO A 24 -7.727 7.475 -13.899 1.00 0.00 C ATOM 326 CD PRO A 24 -6.978 6.236 -13.489 1.00 0.00 C ATOM 0 HA PRO A 24 -4.627 8.484 -13.287 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.132 9.532 -13.877 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.274 8.550 -15.048 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.471 7.747 -13.150 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.261 7.316 -14.836 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.575 5.605 -12.830 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.705 5.628 -14.351 1.00 0.00 H new ATOM 334 N ASN A 25 -7.035 8.720 -11.073 1.00 0.00 N ATOM 335 CA ASN A 25 -7.402 9.399 -9.835 1.00 0.00 C ATOM 336 C ASN A 25 -6.315 9.230 -8.778 1.00 0.00 C ATOM 337 O ASN A 25 -5.941 10.186 -8.099 1.00 0.00 O ATOM 338 CB ASN A 25 -8.732 8.857 -9.307 1.00 0.00 C ATOM 339 CG ASN A 25 -9.924 9.407 -10.067 1.00 0.00 C ATOM 340 OD1 ASN A 25 -9.795 9.847 -11.210 1.00 0.00 O ATOM 341 ND2 ASN A 25 -11.090 9.384 -9.434 1.00 0.00 N ATOM 0 H ASN A 25 -7.715 8.031 -11.394 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.510 10.462 -10.051 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.731 7.769 -9.376 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.830 9.109 -8.251 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.927 9.741 -9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.149 9.010 -8.487 1.00 0.00 H new ATOM 348 N VAL A 26 -5.811 8.007 -8.646 1.00 0.00 N ATOM 349 CA VAL A 26 -4.766 7.713 -7.673 1.00 0.00 C ATOM 350 C VAL A 26 -3.463 8.417 -8.036 1.00 0.00 C ATOM 351 O VAL A 26 -3.215 8.721 -9.201 1.00 0.00 O ATOM 352 CB VAL A 26 -4.506 6.197 -7.571 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.542 5.896 -6.434 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.815 5.444 -7.384 1.00 0.00 C ATOM 0 H VAL A 26 -6.109 7.204 -9.200 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.118 8.081 -6.709 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.049 5.861 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.370 4.821 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.596 6.405 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.968 6.245 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.613 4.375 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.302 5.782 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.469 5.635 -8.235 1.00 0.00 H new ATOM 364 N ASN A 27 -2.635 8.672 -7.028 1.00 0.00 N ATOM 365 CA ASN A 27 -1.357 9.342 -7.241 1.00 0.00 C ATOM 366 C ASN A 27 -0.532 9.361 -5.957 1.00 0.00 C ATOM 367 O ASN A 27 -0.829 10.111 -5.027 1.00 0.00 O ATOM 368 CB ASN A 27 -1.582 10.772 -7.737 1.00 0.00 C ATOM 369 CG ASN A 27 -1.674 10.852 -9.248 1.00 0.00 C ATOM 370 OD1 ASN A 27 -2.707 11.230 -9.800 1.00 0.00 O ATOM 371 ND2 ASN A 27 -0.588 10.496 -9.926 1.00 0.00 N ATOM 0 H ASN A 27 -2.826 8.425 -6.057 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.806 8.785 -7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.499 11.166 -7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.766 11.406 -7.391 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.589 10.530 -10.945 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.247 10.189 -9.427 1.00 0.00 H new ATOM 378 N VAL A 28 0.505 8.531 -5.914 1.00 0.00 N ATOM 379 CA VAL A 28 1.374 8.453 -4.746 1.00 0.00 C ATOM 380 C VAL A 28 2.458 9.523 -4.796 1.00 0.00 C ATOM 381 O VAL A 28 3.612 9.238 -5.118 1.00 0.00 O ATOM 382 CB VAL A 28 2.038 7.068 -4.633 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.902 6.992 -3.383 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.985 5.971 -4.631 1.00 0.00 C ATOM 0 H VAL A 28 0.764 7.903 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 28 0.745 8.618 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 28 2.681 6.920 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.363 6.007 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.680 7.754 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.283 7.161 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.472 4.999 -4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.314 6.112 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.413 6.014 -5.558 1.00 0.00 H new ATOM 394 N HIS A 29 2.081 10.756 -4.475 1.00 0.00 N ATOM 395 CA HIS A 29 3.022 11.870 -4.480 1.00 0.00 C ATOM 396 C HIS A 29 3.595 12.105 -3.087 1.00 0.00 C ATOM 397 O HIS A 29 4.753 12.495 -2.939 1.00 0.00 O ATOM 398 CB HIS A 29 2.337 13.141 -4.984 1.00 0.00 C ATOM 399 CG HIS A 29 3.262 14.313 -5.105 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.057 15.505 -4.444 1.00 0.00 N ATOM 401 CD2 HIS A 29 4.404 14.469 -5.815 1.00 0.00 C ATOM 402 CE1 HIS A 29 4.032 16.345 -4.742 1.00 0.00 C ATOM 403 NE2 HIS A 29 4.862 15.741 -5.573 1.00 0.00 N ATOM 0 H HIS A 29 1.130 11.009 -4.208 1.00 0.00 H new ATOM 0 HA HIS A 29 3.842 11.617 -5.152 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.889 12.941 -5.957 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.524 13.399 -4.305 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.868 13.731 -6.453 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.133 17.354 -4.370 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.706 16.153 -5.971 1.00 0.00 H new ATOM 412 N ASN A 30 2.777 11.866 -2.067 1.00 0.00 N ATOM 413 CA ASN A 30 3.203 12.053 -0.685 1.00 0.00 C ATOM 414 C ASN A 30 2.979 10.782 0.130 1.00 0.00 C ATOM 415 O ASN A 30 2.467 9.786 -0.381 1.00 0.00 O ATOM 416 CB ASN A 30 2.445 13.220 -0.049 1.00 0.00 C ATOM 417 CG ASN A 30 1.050 13.384 -0.624 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.070 12.758 0.015 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 0.858 14.069 -1.630 1.00 0.00 N flip ATOM 0 H ASN A 30 1.815 11.542 -2.172 1.00 0.00 H new ATOM 0 HA ASN A 30 4.269 12.279 -0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.375 13.061 1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.008 14.141 -0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.642 14.532 -2.089 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.085 14.173 -2.004 1.00 0.00 H new ATOM 426 N PHE A 31 3.368 10.825 1.400 1.00 0.00 N ATOM 427 CA PHE A 31 3.210 9.677 2.287 1.00 0.00 C ATOM 428 C PHE A 31 2.318 10.026 3.475 1.00 0.00 C ATOM 429 O PHE A 31 2.408 9.408 4.536 1.00 0.00 O ATOM 430 CB PHE A 31 4.575 9.197 2.782 1.00 0.00 C ATOM 431 CG PHE A 31 5.316 8.360 1.779 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.833 7.117 1.401 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.496 8.816 1.213 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.514 6.345 0.480 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.181 8.048 0.290 1.00 0.00 C ATOM 436 CZ PHE A 31 6.688 6.811 -0.078 1.00 0.00 C ATOM 0 H PHE A 31 3.795 11.641 1.838 1.00 0.00 H new ATOM 0 HA PHE A 31 2.734 8.875 1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.184 10.063 3.041 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.438 8.619 3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.914 6.748 1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.885 9.783 1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.128 5.377 0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.100 8.414 -0.143 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.220 6.210 -0.801 1.00 0.00 H new ATOM 446 N THR A 32 1.458 11.023 3.290 1.00 0.00 N ATOM 447 CA THR A 32 0.551 11.456 4.345 1.00 0.00 C ATOM 448 C THR A 32 -0.881 11.560 3.832 1.00 0.00 C ATOM 449 O THR A 32 -1.724 10.717 4.139 1.00 0.00 O ATOM 450 CB THR A 32 0.977 12.817 4.927 1.00 0.00 C ATOM 451 OG1 THR A 32 1.189 13.758 3.868 1.00 0.00 O ATOM 452 CG2 THR A 32 2.247 12.680 5.752 1.00 0.00 C ATOM 0 H THR A 32 1.371 11.546 2.418 1.00 0.00 H new ATOM 0 HA THR A 32 0.597 10.702 5.131 1.00 0.00 H new ATOM 0 HB THR A 32 0.178 13.175 5.577 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.458 14.621 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.528 13.654 6.152 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.074 11.986 6.574 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.051 12.301 5.121 1.00 0.00 H new ATOM 460 N THR A 33 -1.149 12.600 3.050 1.00 0.00 N ATOM 461 CA THR A 33 -2.480 12.815 2.494 1.00 0.00 C ATOM 462 C THR A 33 -2.670 12.030 1.202 1.00 0.00 C ATOM 463 O THR A 33 -3.573 12.317 0.417 1.00 0.00 O ATOM 464 CB THR A 33 -2.738 14.308 2.217 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.879 14.768 1.168 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.507 15.140 3.470 1.00 0.00 C ATOM 0 H THR A 33 -0.463 13.307 2.787 1.00 0.00 H new ATOM 0 HA THR A 33 -3.194 12.462 3.238 1.00 0.00 H new ATOM 0 HB THR A 33 -3.778 14.423 1.911 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.202 14.086 0.977 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.695 16.191 3.249 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.184 14.808 4.257 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.476 15.018 3.803 1.00 0.00 H new ATOM 474 N SER A 34 -1.812 11.037 0.987 1.00 0.00 N ATOM 475 CA SER A 34 -1.884 10.211 -0.212 1.00 0.00 C ATOM 476 C SER A 34 -2.543 8.869 0.090 1.00 0.00 C ATOM 477 O SER A 34 -3.092 8.219 -0.800 1.00 0.00 O ATOM 478 CB SER A 34 -0.484 9.987 -0.787 1.00 0.00 C ATOM 479 OG SER A 34 -0.160 10.983 -1.743 1.00 0.00 O ATOM 0 H SER A 34 -1.059 10.786 1.628 1.00 0.00 H new ATOM 0 HA SER A 34 -2.492 10.736 -0.948 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.250 9.999 0.019 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.431 9.002 -1.251 1.00 0.00 H new ATOM 0 HG SER A 34 -0.512 11.848 -1.446 1.00 0.00 H new ATOM 485 N TRP A 35 -2.483 8.460 1.353 1.00 0.00 N ATOM 486 CA TRP A 35 -3.073 7.194 1.774 1.00 0.00 C ATOM 487 C TRP A 35 -4.255 7.430 2.710 1.00 0.00 C ATOM 488 O TRP A 35 -5.105 6.556 2.883 1.00 0.00 O ATOM 489 CB TRP A 35 -2.023 6.324 2.468 1.00 0.00 C ATOM 490 CG TRP A 35 -0.721 6.265 1.730 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.198 7.268 1.608 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.193 5.145 1.011 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.266 6.838 0.856 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.050 5.539 0.479 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.648 3.846 0.767 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.839 4.681 -0.283 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.136 2.996 0.011 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.369 3.415 -0.506 1.00 0.00 C ATOM 0 H TRP A 35 -2.033 8.986 2.102 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.434 6.676 0.886 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.847 6.711 3.472 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.415 5.313 2.580 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.100 8.254 2.039 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.086 7.396 0.618 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.596 3.513 1.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.789 5.003 -0.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.208 1.991 -0.185 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.960 2.726 -1.092 1.00 0.00 H new ATOM 509 N ARG A 36 -4.301 8.614 3.311 1.00 0.00 N ATOM 510 CA ARG A 36 -5.378 8.962 4.230 1.00 0.00 C ATOM 511 C ARG A 36 -6.729 8.520 3.676 1.00 0.00 C ATOM 512 O ARG A 36 -7.566 7.987 4.405 1.00 0.00 O ATOM 513 CB ARG A 36 -5.389 10.470 4.489 1.00 0.00 C ATOM 514 CG ARG A 36 -6.660 10.964 5.159 1.00 0.00 C ATOM 515 CD ARG A 36 -6.811 12.472 5.026 1.00 0.00 C ATOM 516 NE ARG A 36 -8.115 12.935 5.493 1.00 0.00 N ATOM 517 CZ ARG A 36 -9.246 12.743 4.824 1.00 0.00 C ATOM 518 NH1 ARG A 36 -9.233 12.101 3.664 1.00 0.00 N ATOM 519 NH2 ARG A 36 -10.394 13.195 5.314 1.00 0.00 N ATOM 0 H ARG A 36 -3.606 9.348 3.178 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.202 8.440 5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.535 10.729 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.261 10.994 3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.523 10.470 4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.646 10.690 6.214 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.025 12.967 5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.677 12.759 3.983 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.160 13.433 6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.353 11.753 3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.103 11.955 3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.408 13.691 6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.262 13.047 4.799 1.00 0.00 H new ATOM 533 N ASP A 37 -6.936 8.747 2.384 1.00 0.00 N ATOM 534 CA ASP A 37 -8.185 8.372 1.731 1.00 0.00 C ATOM 535 C ASP A 37 -8.397 6.861 1.790 1.00 0.00 C ATOM 536 O ASP A 37 -9.476 6.390 2.144 1.00 0.00 O ATOM 537 CB ASP A 37 -8.188 8.843 0.277 1.00 0.00 C ATOM 538 CG ASP A 37 -7.263 8.022 -0.600 1.00 0.00 C ATOM 539 OD1 ASP A 37 -6.040 8.038 -0.350 1.00 0.00 O ATOM 540 OD2 ASP A 37 -7.762 7.363 -1.536 1.00 0.00 O ATOM 0 H ASP A 37 -6.254 9.189 1.767 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.003 8.857 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.202 8.787 -0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.888 9.890 0.237 1.00 0.00 H new ATOM 545 N GLY A 38 -7.358 6.109 1.440 1.00 0.00 N ATOM 546 CA GLY A 38 -7.451 4.661 1.459 1.00 0.00 C ATOM 547 C GLY A 38 -7.194 4.046 0.097 1.00 0.00 C ATOM 548 O GLY A 38 -6.458 3.066 -0.021 1.00 0.00 O ATOM 0 H GLY A 38 -6.454 6.477 1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.732 4.263 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.442 4.368 1.805 1.00 0.00 H new ATOM 552 N LEU A 39 -7.802 4.621 -0.934 1.00 0.00 N ATOM 553 CA LEU A 39 -7.637 4.123 -2.296 1.00 0.00 C ATOM 554 C LEU A 39 -6.217 3.615 -2.520 1.00 0.00 C ATOM 555 O LEU A 39 -6.012 2.466 -2.912 1.00 0.00 O ATOM 556 CB LEU A 39 -7.964 5.223 -3.306 1.00 0.00 C ATOM 557 CG LEU A 39 -9.353 5.853 -3.187 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.466 7.070 -4.092 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.431 4.833 -3.524 1.00 0.00 C ATOM 0 H LEU A 39 -8.414 5.433 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.327 3.292 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.219 6.013 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.859 4.810 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.497 6.178 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.461 7.505 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.717 7.808 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.301 6.770 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.413 5.298 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.290 4.478 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.364 3.991 -2.835 1.00 0.00 H new ATOM 571 N ALA A 40 -5.239 4.478 -2.269 1.00 0.00 N ATOM 572 CA ALA A 40 -3.837 4.117 -2.440 1.00 0.00 C ATOM 573 C ALA A 40 -3.594 2.663 -2.049 1.00 0.00 C ATOM 574 O ALA A 40 -3.135 1.859 -2.860 1.00 0.00 O ATOM 575 CB ALA A 40 -2.949 5.041 -1.620 1.00 0.00 C ATOM 0 H ALA A 40 -5.392 5.433 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.584 4.231 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.905 4.759 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.093 6.070 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.211 4.956 -0.565 1.00 0.00 H new ATOM 581 N PHE A 41 -3.904 2.332 -0.799 1.00 0.00 N ATOM 582 CA PHE A 41 -3.718 0.974 -0.300 1.00 0.00 C ATOM 583 C PHE A 41 -4.534 -0.023 -1.116 1.00 0.00 C ATOM 584 O PHE A 41 -4.072 -1.124 -1.412 1.00 0.00 O ATOM 585 CB PHE A 41 -4.117 0.892 1.175 1.00 0.00 C ATOM 586 CG PHE A 41 -3.128 1.539 2.102 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.820 1.086 2.165 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.506 2.598 2.910 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.907 1.680 3.017 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.598 3.196 3.763 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.297 2.735 3.817 1.00 0.00 C ATOM 0 H PHE A 41 -4.285 2.985 -0.114 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.663 0.718 -0.399 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.090 1.366 1.307 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.232 -0.155 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.510 0.260 1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.523 2.961 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.110 1.319 3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.905 4.023 4.387 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.586 3.199 4.484 1.00 0.00 H new ATOM 601 N ASN A 42 -5.750 0.372 -1.477 1.00 0.00 N ATOM 602 CA ASN A 42 -6.633 -0.487 -2.258 1.00 0.00 C ATOM 603 C ASN A 42 -6.218 -0.502 -3.727 1.00 0.00 C ATOM 604 O ASN A 42 -6.828 -1.186 -4.548 1.00 0.00 O ATOM 605 CB ASN A 42 -8.082 -0.014 -2.132 1.00 0.00 C ATOM 606 CG ASN A 42 -8.533 0.090 -0.687 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.929 -0.901 -0.076 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.473 1.297 -0.135 1.00 0.00 N ATOM 0 H ASN A 42 -6.147 1.282 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.553 -1.501 -1.865 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.187 0.958 -2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.735 -0.706 -2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.762 1.430 0.834 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.138 2.091 -0.680 1.00 0.00 H new ATOM 615 N ALA A 43 -5.175 0.257 -4.049 1.00 0.00 N ATOM 616 CA ALA A 43 -4.676 0.330 -5.416 1.00 0.00 C ATOM 617 C ALA A 43 -3.494 -0.611 -5.620 1.00 0.00 C ATOM 618 O ALA A 43 -3.292 -1.143 -6.712 1.00 0.00 O ATOM 619 CB ALA A 43 -4.281 1.758 -5.758 1.00 0.00 C ATOM 0 H ALA A 43 -4.660 0.830 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.477 0.016 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.910 1.798 -6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.150 2.409 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.499 2.093 -5.076 1.00 0.00 H new ATOM 625 N ILE A 44 -2.716 -0.814 -4.562 1.00 0.00 N ATOM 626 CA ILE A 44 -1.555 -1.692 -4.626 1.00 0.00 C ATOM 627 C ILE A 44 -1.975 -3.150 -4.786 1.00 0.00 C ATOM 628 O ILE A 44 -1.433 -3.875 -5.620 1.00 0.00 O ATOM 629 CB ILE A 44 -0.678 -1.559 -3.367 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.174 -0.122 -3.220 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.491 -2.532 -3.429 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.456 0.163 -1.875 1.00 0.00 C ATOM 0 H ILE A 44 -2.869 -0.382 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.976 -1.385 -5.497 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.283 -1.804 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.556 0.080 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.007 0.564 -3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.101 -2.425 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.112 -3.552 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.098 -2.316 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.790 1.200 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.277 -0.007 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.310 -0.498 -1.726 1.00 0.00 H new ATOM 644 N VAL A 45 -2.946 -3.571 -3.984 1.00 0.00 N ATOM 645 CA VAL A 45 -3.443 -4.941 -4.038 1.00 0.00 C ATOM 646 C VAL A 45 -4.171 -5.210 -5.350 1.00 0.00 C ATOM 647 O VAL A 45 -3.731 -6.026 -6.161 1.00 0.00 O ATOM 648 CB VAL A 45 -4.395 -5.240 -2.865 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.908 -6.670 -2.944 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.699 -4.988 -1.536 1.00 0.00 C ATOM 0 H VAL A 45 -3.405 -2.983 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.574 -5.595 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.250 -4.568 -2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.579 -6.863 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.447 -6.812 -3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.066 -7.361 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.387 -5.204 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.824 -5.634 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.387 -3.945 -1.481 1.00 0.00 H new ATOM 660 N HIS A 46 -5.287 -4.518 -5.554 1.00 0.00 N ATOM 661 CA HIS A 46 -6.076 -4.681 -6.770 1.00 0.00 C ATOM 662 C HIS A 46 -5.175 -4.946 -7.972 1.00 0.00 C ATOM 663 O HIS A 46 -5.498 -5.760 -8.836 1.00 0.00 O ATOM 664 CB HIS A 46 -6.928 -3.436 -7.021 1.00 0.00 C ATOM 665 CG HIS A 46 -7.896 -3.591 -8.154 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.511 -3.591 -9.478 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.240 -3.755 -8.153 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.577 -3.745 -10.243 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.638 -3.847 -9.464 1.00 0.00 N ATOM 0 H HIS A 46 -5.665 -3.839 -4.893 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.733 -5.541 -6.635 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.480 -3.194 -6.113 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.271 -2.592 -7.228 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.879 -3.804 -7.284 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.580 -3.781 -11.322 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.598 -3.974 -9.784 1.00 0.00 H new ATOM 678 N LYS A 47 -4.043 -4.252 -8.020 1.00 0.00 N ATOM 679 CA LYS A 47 -3.093 -4.412 -9.115 1.00 0.00 C ATOM 680 C LYS A 47 -2.558 -5.839 -9.168 1.00 0.00 C ATOM 681 O LYS A 47 -2.511 -6.455 -10.233 1.00 0.00 O ATOM 682 CB LYS A 47 -1.932 -3.427 -8.958 1.00 0.00 C ATOM 683 CG LYS A 47 -1.070 -3.300 -10.203 1.00 0.00 C ATOM 684 CD LYS A 47 -1.644 -2.285 -11.177 1.00 0.00 C ATOM 685 CE LYS A 47 -0.599 -1.825 -12.182 1.00 0.00 C ATOM 686 NZ LYS A 47 -1.221 -1.314 -13.435 1.00 0.00 N ATOM 0 H LYS A 47 -3.761 -3.573 -7.313 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.615 -4.204 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.331 -2.446 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.307 -3.745 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.061 -3.003 -9.919 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.991 -4.271 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.490 -2.724 -11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.024 -1.425 -10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.014 -1.042 -11.736 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.067 -2.655 -12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.498 -0.842 -14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.628 -2.108 -13.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.972 -0.635 -13.198 1.00 0.00 H new ATOM 700 N HIS A 48 -2.158 -6.360 -8.012 1.00 0.00 N ATOM 701 CA HIS A 48 -1.629 -7.716 -7.927 1.00 0.00 C ATOM 702 C HIS A 48 -2.758 -8.743 -7.966 1.00 0.00 C ATOM 703 O HIS A 48 -2.728 -9.680 -8.763 1.00 0.00 O ATOM 704 CB HIS A 48 -0.812 -7.888 -6.646 1.00 0.00 C ATOM 705 CG HIS A 48 0.138 -6.760 -6.386 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.229 -5.902 -5.344 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 1.147 -6.409 -7.259 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.281 -5.057 -5.603 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.818 -5.385 -6.764 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.190 -5.863 -7.122 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.981 -7.881 -8.788 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.493 -7.981 -5.800 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.249 -8.820 -6.706 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.371 -5.885 -4.520 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.356 -6.896 -8.200 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.615 -4.255 -4.961 1.00 0.00 H new ATOM 718 N ARG A 49 -3.749 -8.559 -7.101 1.00 0.00 N ATOM 719 CA ARG A 49 -4.885 -9.470 -7.037 1.00 0.00 C ATOM 720 C ARG A 49 -6.202 -8.705 -7.125 1.00 0.00 C ATOM 721 O ARG A 49 -6.812 -8.352 -6.115 1.00 0.00 O ATOM 722 CB ARG A 49 -4.841 -10.283 -5.741 1.00 0.00 C ATOM 723 CG ARG A 49 -3.604 -11.158 -5.613 1.00 0.00 C ATOM 724 CD ARG A 49 -3.729 -12.424 -6.445 1.00 0.00 C ATOM 725 NE ARG A 49 -4.672 -13.373 -5.860 1.00 0.00 N ATOM 726 CZ ARG A 49 -4.343 -14.250 -4.918 1.00 0.00 C ATOM 727 NH1 ARG A 49 -3.101 -14.298 -4.458 1.00 0.00 N ATOM 728 NH2 ARG A 49 -5.258 -15.082 -4.437 1.00 0.00 N ATOM 0 H ARG A 49 -3.788 -7.788 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.822 -10.149 -7.887 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.882 -9.600 -4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.729 -10.913 -5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.726 -10.597 -5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.451 -11.423 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.054 -12.165 -7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.750 -12.895 -6.537 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.636 -13.362 -6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.395 -13.661 -4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.851 -14.972 -3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.214 -15.048 -4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.005 -15.755 -3.714 1.00 0.00 H new ATOM 742 N PRO A 50 -6.651 -8.439 -8.361 1.00 0.00 N ATOM 743 CA PRO A 50 -7.899 -7.712 -8.610 1.00 0.00 C ATOM 744 C PRO A 50 -9.131 -8.529 -8.232 1.00 0.00 C ATOM 745 O PRO A 50 -10.263 -8.088 -8.430 1.00 0.00 O ATOM 746 CB PRO A 50 -7.868 -7.461 -10.120 1.00 0.00 C ATOM 747 CG PRO A 50 -7.007 -8.546 -10.667 1.00 0.00 C ATOM 748 CD PRO A 50 -5.975 -8.829 -9.609 1.00 0.00 C ATOM 0 HA PRO A 50 -7.966 -6.802 -8.014 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.870 -7.497 -10.548 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.459 -6.477 -10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.595 -9.437 -10.887 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.535 -8.237 -11.600 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.688 -9.880 -9.599 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.065 -8.251 -9.771 1.00 0.00 H new ATOM 756 N ASP A 51 -8.902 -9.718 -7.686 1.00 0.00 N ATOM 757 CA ASP A 51 -9.993 -10.595 -7.279 1.00 0.00 C ATOM 758 C ASP A 51 -10.542 -10.184 -5.917 1.00 0.00 C ATOM 759 O ASP A 51 -11.755 -10.161 -5.705 1.00 0.00 O ATOM 760 CB ASP A 51 -9.517 -12.049 -7.233 1.00 0.00 C ATOM 761 CG ASP A 51 -10.668 -13.035 -7.261 1.00 0.00 C ATOM 762 OD1 ASP A 51 -11.680 -12.747 -7.932 1.00 0.00 O ATOM 763 OD2 ASP A 51 -10.557 -14.096 -6.610 1.00 0.00 O ATOM 0 H ASP A 51 -7.970 -10.097 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.792 -10.505 -8.015 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.858 -12.240 -8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.928 -12.207 -6.329 1.00 0.00 H new ATOM 768 N LEU A 52 -9.641 -9.859 -4.995 1.00 0.00 N ATOM 769 CA LEU A 52 -10.035 -9.449 -3.652 1.00 0.00 C ATOM 770 C LEU A 52 -11.053 -8.314 -3.705 1.00 0.00 C ATOM 771 O LEU A 52 -12.181 -8.455 -3.231 1.00 0.00 O ATOM 772 CB LEU A 52 -8.807 -9.010 -2.851 1.00 0.00 C ATOM 773 CG LEU A 52 -7.665 -10.022 -2.766 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.574 -9.519 -1.834 1.00 0.00 C ATOM 775 CD2 LEU A 52 -8.186 -11.375 -2.299 1.00 0.00 C ATOM 0 H LEU A 52 -8.633 -9.872 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.497 -10.304 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.420 -8.091 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.127 -8.767 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.237 -10.143 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.769 -10.253 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.181 -8.574 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.988 -9.369 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.360 -12.084 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.640 -11.270 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.932 -11.741 -3.005 1.00 0.00 H new ATOM 787 N LEU A 53 -10.649 -7.191 -4.288 1.00 0.00 N ATOM 788 CA LEU A 53 -11.527 -6.032 -4.407 1.00 0.00 C ATOM 789 C LEU A 53 -11.624 -5.568 -5.857 1.00 0.00 C ATOM 790 O LEU A 53 -10.929 -6.085 -6.732 1.00 0.00 O ATOM 791 CB LEU A 53 -11.017 -4.889 -3.528 1.00 0.00 C ATOM 792 CG LEU A 53 -9.656 -4.304 -3.908 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.492 -2.909 -3.325 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.533 -5.217 -3.437 1.00 0.00 C ATOM 0 H LEU A 53 -9.719 -7.058 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.522 -6.325 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.753 -4.086 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.962 -5.245 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.605 -4.229 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.518 -2.509 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.276 -2.258 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.564 -2.958 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.572 -4.785 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.582 -5.325 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.640 -6.196 -3.904 1.00 0.00 H new ATOM 806 N ASP A 54 -12.488 -4.590 -6.103 1.00 0.00 N ATOM 807 CA ASP A 54 -12.675 -4.055 -7.447 1.00 0.00 C ATOM 808 C ASP A 54 -12.043 -2.672 -7.572 1.00 0.00 C ATOM 809 O ASP A 54 -11.497 -2.320 -8.619 1.00 0.00 O ATOM 810 CB ASP A 54 -14.164 -3.981 -7.787 1.00 0.00 C ATOM 811 CG ASP A 54 -14.690 -5.278 -8.370 1.00 0.00 C ATOM 812 OD1 ASP A 54 -14.582 -5.463 -9.600 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.209 -6.108 -7.594 1.00 0.00 O ATOM 0 H ASP A 54 -13.070 -4.151 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.183 -4.726 -8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.727 -3.736 -6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.332 -3.172 -8.498 1.00 0.00 H new ATOM 818 N PHE A 55 -12.119 -1.892 -6.499 1.00 0.00 N ATOM 819 CA PHE A 55 -11.557 -0.547 -6.491 1.00 0.00 C ATOM 820 C PHE A 55 -12.315 0.367 -7.449 1.00 0.00 C ATOM 821 O PHE A 55 -11.719 1.209 -8.122 1.00 0.00 O ATOM 822 CB PHE A 55 -10.075 -0.588 -6.872 1.00 0.00 C ATOM 823 CG PHE A 55 -9.376 0.731 -6.709 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.932 1.146 -5.464 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.165 1.558 -7.801 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.289 2.359 -5.310 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.522 2.772 -7.653 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.084 3.174 -6.407 1.00 0.00 C ATOM 0 H PHE A 55 -12.564 -2.168 -5.624 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.655 -0.146 -5.482 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.571 -1.335 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.984 -0.913 -7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.091 0.513 -4.603 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.507 1.250 -8.778 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.947 2.670 -4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.362 3.407 -8.512 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.582 4.123 -6.290 1.00 0.00 H new ATOM 838 N GLU A 56 -13.631 0.193 -7.506 1.00 0.00 N ATOM 839 CA GLU A 56 -14.470 1.001 -8.383 1.00 0.00 C ATOM 840 C GLU A 56 -15.637 1.609 -7.611 1.00 0.00 C ATOM 841 O GLU A 56 -16.088 2.714 -7.914 1.00 0.00 O ATOM 842 CB GLU A 56 -14.998 0.153 -9.543 1.00 0.00 C ATOM 843 CG GLU A 56 -16.159 -0.748 -9.159 1.00 0.00 C ATOM 844 CD GLU A 56 -16.875 -1.324 -10.365 1.00 0.00 C ATOM 845 OE1 GLU A 56 -16.864 -0.668 -11.429 1.00 0.00 O ATOM 846 OE2 GLU A 56 -17.446 -2.427 -10.247 1.00 0.00 O ATOM 0 H GLU A 56 -14.139 -0.500 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.860 1.811 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.313 0.814 -10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.186 -0.461 -9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.791 -1.563 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.869 -0.182 -8.556 1.00 0.00 H new ATOM 853 N SER A 57 -16.123 0.879 -6.612 1.00 0.00 N ATOM 854 CA SER A 57 -17.240 1.343 -5.798 1.00 0.00 C ATOM 855 C SER A 57 -16.750 2.227 -4.655 1.00 0.00 C ATOM 856 O SER A 57 -17.395 3.214 -4.297 1.00 0.00 O ATOM 857 CB SER A 57 -18.021 0.153 -5.238 1.00 0.00 C ATOM 858 OG SER A 57 -19.283 0.559 -4.739 1.00 0.00 O ATOM 0 H SER A 57 -15.760 -0.037 -6.347 1.00 0.00 H new ATOM 0 HA SER A 57 -17.899 1.934 -6.434 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.159 -0.595 -6.019 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.447 -0.320 -4.441 1.00 0.00 H new ATOM 0 HG SER A 57 -19.762 -0.221 -4.388 1.00 0.00 H new ATOM 864 N LEU A 58 -15.605 1.866 -4.087 1.00 0.00 N ATOM 865 CA LEU A 58 -15.026 2.626 -2.984 1.00 0.00 C ATOM 866 C LEU A 58 -15.190 4.126 -3.209 1.00 0.00 C ATOM 867 O LEU A 58 -14.652 4.683 -4.167 1.00 0.00 O ATOM 868 CB LEU A 58 -13.544 2.282 -2.824 1.00 0.00 C ATOM 869 CG LEU A 58 -13.210 0.795 -2.703 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.703 0.587 -2.684 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.848 0.205 -1.454 1.00 0.00 C ATOM 0 H LEU A 58 -15.059 1.053 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.557 2.355 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.003 2.687 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.167 2.792 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.617 0.278 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.484 -0.477 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.271 0.973 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.273 1.116 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.600 -0.854 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.472 0.725 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.930 0.321 -1.509 1.00 0.00 H new ATOM 883 N LYS A 59 -15.936 4.774 -2.321 1.00 0.00 N ATOM 884 CA LYS A 59 -16.169 6.210 -2.420 1.00 0.00 C ATOM 885 C LYS A 59 -15.104 6.988 -1.655 1.00 0.00 C ATOM 886 O LYS A 59 -15.018 6.902 -0.429 1.00 0.00 O ATOM 887 CB LYS A 59 -17.557 6.560 -1.881 1.00 0.00 C ATOM 888 CG LYS A 59 -18.693 6.047 -2.748 1.00 0.00 C ATOM 889 CD LYS A 59 -19.041 4.605 -2.416 1.00 0.00 C ATOM 890 CE LYS A 59 -19.898 4.514 -1.163 1.00 0.00 C ATOM 891 NZ LYS A 59 -19.867 3.149 -0.568 1.00 0.00 N ATOM 0 H LYS A 59 -16.390 4.327 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.113 6.490 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.662 6.148 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.640 7.643 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -19.572 6.676 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.412 6.122 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -19.572 4.155 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -18.125 4.032 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.546 5.238 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.926 4.781 -1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -20.463 3.128 0.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.227 2.461 -1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -18.889 2.904 -0.312 1.00 0.00 H new ATOM 905 N LYS A 60 -14.295 7.749 -2.384 1.00 0.00 N ATOM 906 CA LYS A 60 -13.237 8.546 -1.774 1.00 0.00 C ATOM 907 C LYS A 60 -13.693 9.128 -0.440 1.00 0.00 C ATOM 908 O LYS A 60 -12.949 9.115 0.542 1.00 0.00 O ATOM 909 CB LYS A 60 -12.811 9.673 -2.716 1.00 0.00 C ATOM 910 CG LYS A 60 -11.357 10.081 -2.560 1.00 0.00 C ATOM 911 CD LYS A 60 -10.793 10.646 -3.853 1.00 0.00 C ATOM 912 CE LYS A 60 -11.007 12.149 -3.944 1.00 0.00 C ATOM 913 NZ LYS A 60 -12.310 12.487 -4.582 1.00 0.00 N ATOM 0 H LYS A 60 -14.352 7.831 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.384 7.892 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.983 9.359 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.444 10.542 -2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.270 10.825 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.767 9.218 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.727 10.425 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.269 10.157 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.969 12.582 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.195 12.597 -4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.145 13.107 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.779 11.614 -4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.917 12.977 -3.894 1.00 0.00 H new ATOM 927 N CYS A 61 -14.920 9.637 -0.411 1.00 0.00 N ATOM 928 CA CYS A 61 -15.477 10.222 0.803 1.00 0.00 C ATOM 929 C CYS A 61 -15.200 9.335 2.012 1.00 0.00 C ATOM 930 O CYS A 61 -14.535 9.749 2.960 1.00 0.00 O ATOM 931 CB CYS A 61 -16.982 10.438 0.647 1.00 0.00 C ATOM 932 SG CYS A 61 -17.423 11.797 -0.461 1.00 0.00 S ATOM 0 H CYS A 61 -15.548 9.656 -1.215 1.00 0.00 H new ATOM 0 HA CYS A 61 -14.995 11.186 0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.433 9.519 0.274 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.414 10.630 1.629 1.00 0.00 H new ATOM 0 HG CYS A 61 -18.717 11.899 -0.529 1.00 0.00 H new ATOM 938 N ASN A 62 -15.717 8.111 1.970 1.00 0.00 N ATOM 939 CA ASN A 62 -15.527 7.164 3.064 1.00 0.00 C ATOM 940 C ASN A 62 -14.163 6.487 2.968 1.00 0.00 C ATOM 941 O ASN A 62 -13.907 5.712 2.047 1.00 0.00 O ATOM 942 CB ASN A 62 -16.635 6.108 3.050 1.00 0.00 C ATOM 943 CG ASN A 62 -16.941 5.573 4.435 1.00 0.00 C ATOM 944 OD1 ASN A 62 -16.301 4.467 4.798 1.00 0.00 O flip ATOM 945 ND2 ASN A 62 -17.744 6.147 5.170 1.00 0.00 N flip ATOM 0 H ASN A 62 -16.270 7.752 1.192 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.573 7.717 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.540 6.540 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.339 5.283 2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.213 6.994 4.850 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.941 5.775 6.099 1.00 0.00 H new ATOM 952 N ALA A 63 -13.291 6.788 3.926 1.00 0.00 N ATOM 953 CA ALA A 63 -11.954 6.207 3.951 1.00 0.00 C ATOM 954 C ALA A 63 -11.857 5.097 4.992 1.00 0.00 C ATOM 955 O ALA A 63 -11.083 4.152 4.837 1.00 0.00 O ATOM 956 CB ALA A 63 -10.917 7.284 4.228 1.00 0.00 C ATOM 0 H ALA A 63 -13.487 7.430 4.694 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.756 5.770 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.923 6.837 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.961 8.042 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.122 7.747 5.193 1.00 0.00 H new ATOM 962 N HIS A 64 -12.648 5.217 6.054 1.00 0.00 N ATOM 963 CA HIS A 64 -12.651 4.223 7.121 1.00 0.00 C ATOM 964 C HIS A 64 -12.778 2.814 6.551 1.00 0.00 C ATOM 965 O HIS A 64 -11.980 1.932 6.867 1.00 0.00 O ATOM 966 CB HIS A 64 -13.795 4.497 8.098 1.00 0.00 C ATOM 967 CG HIS A 64 -14.007 3.398 9.094 1.00 0.00 C ATOM 968 ND1 HIS A 64 -13.156 3.169 10.155 1.00 0.00 N ATOM 969 CD2 HIS A 64 -14.982 2.463 9.187 1.00 0.00 C ATOM 970 CE1 HIS A 64 -13.598 2.141 10.856 1.00 0.00 C ATOM 971 NE2 HIS A 64 -14.704 1.694 10.290 1.00 0.00 N ATOM 0 H HIS A 64 -13.295 5.993 6.198 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.703 4.295 7.654 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.592 5.426 8.631 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.715 4.648 7.534 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -15.822 2.344 8.518 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -13.134 1.735 11.742 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -15.261 0.906 10.619 1.00 0.00 H new ATOM 980 N TYR A 65 -13.787 2.611 5.712 1.00 0.00 N ATOM 981 CA TYR A 65 -14.021 1.307 5.100 1.00 0.00 C ATOM 982 C TYR A 65 -12.913 0.964 4.109 1.00 0.00 C ATOM 983 O TYR A 65 -12.297 -0.098 4.193 1.00 0.00 O ATOM 984 CB TYR A 65 -15.377 1.290 4.393 1.00 0.00 C ATOM 985 CG TYR A 65 -15.581 0.082 3.505 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.557 -1.203 4.032 1.00 0.00 C ATOM 987 CD2 TYR A 65 -15.795 0.226 2.140 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.742 -2.310 3.225 1.00 0.00 C ATOM 989 CE2 TYR A 65 -15.983 -0.875 1.326 1.00 0.00 C ATOM 990 CZ TYR A 65 -15.955 -2.140 1.873 1.00 0.00 C ATOM 991 OH TYR A 65 -16.139 -3.239 1.066 1.00 0.00 O ATOM 0 H TYR A 65 -14.456 3.331 5.440 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.021 0.556 5.890 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.168 1.318 5.142 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.475 2.194 3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.391 -1.340 5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.815 1.215 1.707 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.720 -3.302 3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.151 -0.745 0.267 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.277 -2.946 0.141 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.665 1.872 3.172 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.631 1.667 2.163 1.00 0.00 C ATOM 1003 C ASN A 66 -10.295 1.325 2.816 1.00 0.00 C ATOM 1004 O ASN A 66 -9.479 0.600 2.244 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.481 2.916 1.294 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.724 3.201 0.472 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.602 2.349 0.340 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.801 4.404 -0.087 1.00 0.00 N ATOM 0 H ASN A 66 -13.165 2.757 3.090 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.934 0.830 1.534 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.265 3.774 1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.628 2.791 0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.613 4.652 -0.653 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.049 5.079 0.050 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.078 1.850 4.016 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.841 1.599 4.749 1.00 0.00 C ATOM 1017 C LEU A 67 -8.833 0.194 5.341 1.00 0.00 C ATOM 1018 O LEU A 67 -8.036 -0.653 4.939 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.666 2.635 5.862 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.295 4.048 5.412 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.565 5.051 6.523 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.836 4.105 4.982 1.00 0.00 C ATOM 0 H LEU A 67 -10.742 2.452 4.503 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.010 1.682 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.595 2.688 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.895 2.278 6.545 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.916 4.310 4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.295 6.051 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.623 5.030 6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.971 4.792 7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.589 5.118 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.199 3.822 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.674 3.416 4.153 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.726 -0.046 6.295 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.822 -1.350 6.940 1.00 0.00 C ATOM 1036 C GLN A 68 -9.899 -2.466 5.903 1.00 0.00 C ATOM 1037 O GLN A 68 -9.373 -3.558 6.114 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.048 -1.402 7.854 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.359 -1.575 7.103 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.526 -0.909 7.805 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.392 0.183 8.358 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.681 -1.564 7.787 1.00 0.00 N ATOM 0 H GLN A 68 -10.393 0.645 6.638 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.924 -1.497 7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.931 -2.225 8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.093 -0.484 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.257 -1.158 6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.569 -2.638 6.986 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.748 -2.467 7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.501 -1.164 8.243 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.555 -2.183 4.784 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.701 -3.164 3.715 1.00 0.00 C ATOM 1053 C ASN A 69 -9.340 -3.696 3.276 1.00 0.00 C ATOM 1054 O ASN A 69 -9.079 -4.896 3.349 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.428 -2.543 2.519 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.112 -3.583 1.654 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -12.834 -4.446 2.155 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.889 -3.506 0.347 1.00 0.00 N ATOM 0 H ASN A 69 -10.994 -1.282 4.593 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.291 -3.996 4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.169 -1.829 2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.714 -1.984 1.914 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.323 -4.179 -0.285 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.283 -2.774 -0.025 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.477 -2.795 2.820 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.143 -3.172 2.372 1.00 0.00 C ATOM 1067 C ALA A 70 -6.300 -3.689 3.533 1.00 0.00 C ATOM 1068 O ALA A 70 -5.598 -4.693 3.405 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.456 -1.991 1.703 1.00 0.00 C ATOM 0 H ALA A 70 -8.678 -1.797 2.751 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.246 -3.977 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.460 -2.288 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.042 -1.669 0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.373 -1.168 2.413 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.373 -2.998 4.665 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.616 -3.386 5.849 1.00 0.00 C ATOM 1077 C PHE A 71 -5.904 -4.836 6.227 1.00 0.00 C ATOM 1078 O PHE A 71 -4.987 -5.636 6.408 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.953 -2.463 7.022 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.261 -1.132 6.957 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -3.880 -1.059 6.863 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -5.990 0.045 6.988 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.241 0.165 6.803 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.357 1.273 6.928 1.00 0.00 C ATOM 1085 CZ PHE A 71 -3.980 1.332 6.834 1.00 0.00 C ATOM 0 H PHE A 71 -6.949 -2.165 4.788 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.555 -3.293 5.618 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.031 -2.302 7.049 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.682 -2.959 7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.297 -1.968 6.836 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.067 0.003 7.060 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.164 0.209 6.732 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.937 2.183 6.955 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.482 2.289 6.785 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.186 -5.167 6.346 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.596 -6.519 6.705 1.00 0.00 C ATOM 1097 C ASN A 72 -7.426 -7.470 5.525 1.00 0.00 C ATOM 1098 O ASN A 72 -6.801 -8.525 5.647 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.053 -6.526 7.173 1.00 0.00 C ATOM 1100 CG ASN A 72 -10.030 -6.628 6.019 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -10.111 -7.658 5.348 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -10.781 -5.559 5.781 1.00 0.00 N ATOM 0 H ASN A 72 -7.958 -4.517 6.199 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.958 -6.861 7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.209 -7.363 7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.255 -5.615 7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.457 -5.571 5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.681 -4.726 6.362 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.984 -7.091 4.380 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.893 -7.909 3.176 1.00 0.00 C ATOM 1111 C LEU A 73 -6.525 -8.575 3.072 1.00 0.00 C ATOM 1112 O LEU A 73 -6.426 -9.785 2.872 1.00 0.00 O ATOM 1113 CB LEU A 73 -8.154 -7.055 1.935 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.620 -6.860 1.549 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.755 -5.768 0.499 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -10.218 -8.166 1.045 1.00 0.00 C ATOM 0 H LEU A 73 -8.504 -6.222 4.260 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.652 -8.689 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.708 -6.073 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.634 -7.509 1.091 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.171 -6.551 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.806 -5.643 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.367 -4.831 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.190 -6.046 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.262 -8.008 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.664 -8.506 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.156 -8.921 1.829 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.472 -7.776 3.212 1.00 0.00 N ATOM 1129 CA ALA A 74 -4.109 -8.289 3.138 1.00 0.00 C ATOM 1130 C ALA A 74 -3.765 -9.115 4.372 1.00 0.00 C ATOM 1131 O ALA A 74 -3.281 -10.240 4.261 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.122 -7.142 2.975 1.00 0.00 C ATOM 0 H ALA A 74 -5.536 -6.772 3.377 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.039 -8.941 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.108 -7.539 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.347 -6.596 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.203 -6.468 3.828 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.019 -8.547 5.547 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.734 -9.232 6.802 1.00 0.00 C ATOM 1140 C GLU A 75 -4.326 -10.638 6.801 1.00 0.00 C ATOM 1141 O GLU A 75 -3.937 -11.488 7.603 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.292 -8.433 7.983 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.156 -9.146 9.318 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.247 -10.176 9.541 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.403 -9.910 9.151 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -4.945 -11.247 10.108 1.00 0.00 O ATOM 0 H GLU A 75 -4.421 -7.616 5.656 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.652 -9.312 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.776 -7.474 8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.345 -8.218 7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.183 -9.635 9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.184 -8.412 10.123 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.268 -10.877 5.896 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.915 -12.180 5.788 1.00 0.00 C ATOM 1155 C LYS A 76 -5.405 -12.940 4.569 1.00 0.00 C ATOM 1156 O LYS A 76 -4.881 -14.046 4.691 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.434 -12.012 5.700 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.197 -13.320 5.812 1.00 0.00 C ATOM 1159 CD LYS A 76 -9.622 -13.180 5.304 1.00 0.00 C ATOM 1160 CE LYS A 76 -10.527 -12.545 6.348 1.00 0.00 C ATOM 1161 NZ LYS A 76 -11.942 -12.984 6.197 1.00 0.00 N ATOM 0 H LYS A 76 -5.601 -10.185 5.225 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.671 -12.755 6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.763 -11.340 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.684 -11.535 4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.681 -14.093 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.211 -13.646 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.628 -12.573 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.011 -14.162 5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.170 -12.806 7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.473 -11.460 6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.526 -12.529 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.291 -12.713 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.998 -14.017 6.303 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.562 -12.339 3.393 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.117 -12.961 2.151 1.00 0.00 C ATOM 1177 C GLU A 77 -3.599 -13.112 2.133 1.00 0.00 C ATOM 1178 O GLU A 77 -3.072 -14.222 2.223 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.574 -12.134 0.948 1.00 0.00 C ATOM 1180 CG GLU A 77 -7.032 -12.351 0.578 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.253 -13.641 -0.187 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -6.341 -14.052 -0.933 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.339 -14.239 -0.041 1.00 0.00 O ATOM 0 H GLU A 77 -5.994 -11.423 3.275 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.564 -13.953 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.416 -11.077 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.949 -12.381 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.636 -12.363 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.379 -11.512 -0.024 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.900 -11.988 2.014 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.442 -11.992 1.982 1.00 0.00 C ATOM 1192 C LEU A 78 -0.872 -12.655 3.233 1.00 0.00 C ATOM 1193 O LEU A 78 -0.054 -13.568 3.146 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.910 -10.563 1.861 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.552 -9.700 0.775 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.063 -8.263 0.878 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.253 -10.268 -0.606 1.00 0.00 C ATOM 0 H LEU A 78 -3.320 -11.062 1.938 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.124 -12.566 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.044 -10.064 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.163 -10.610 1.673 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.632 -9.708 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.530 -7.663 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.328 -7.858 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.020 -8.238 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.718 -9.640 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.175 -10.291 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.652 -11.280 -0.677 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.314 -12.187 4.397 1.00 0.00 N ATOM 1210 CA GLY A 79 -0.839 -12.747 5.649 1.00 0.00 C ATOM 1211 C GLY A 79 0.088 -11.805 6.391 1.00 0.00 C ATOM 1212 O GLY A 79 1.010 -12.244 7.079 1.00 0.00 O ATOM 0 H GLY A 79 -1.992 -11.431 4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.692 -12.986 6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.317 -13.683 5.450 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.154 -10.507 6.249 1.00 0.00 N ATOM 1217 CA LEU A 80 0.668 -9.499 6.910 1.00 0.00 C ATOM 1218 C LEU A 80 0.107 -9.156 8.287 1.00 0.00 C ATOM 1219 O LEU A 80 -1.026 -9.508 8.613 1.00 0.00 O ATOM 1220 CB LEU A 80 0.750 -8.236 6.051 1.00 0.00 C ATOM 1221 CG LEU A 80 1.486 -8.377 4.718 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.090 -7.257 3.768 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.991 -8.387 4.937 1.00 0.00 C ATOM 0 H LEU A 80 -0.912 -10.127 5.682 1.00 0.00 H new ATOM 0 HA LEU A 80 1.670 -9.909 7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.264 -7.892 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.241 -7.456 6.633 1.00 0.00 H new ATOM 0 HG LEU A 80 1.200 -9.327 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.624 -7.374 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.016 -7.298 3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.346 -6.295 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.498 -8.488 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.296 -7.454 5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.260 -9.226 5.579 1.00 0.00 H new ATOM 1235 N THR A 81 0.909 -8.463 9.091 1.00 0.00 N ATOM 1236 CA THR A 81 0.493 -8.071 10.432 1.00 0.00 C ATOM 1237 C THR A 81 0.071 -6.607 10.470 1.00 0.00 C ATOM 1238 O THR A 81 0.909 -5.707 10.398 1.00 0.00 O ATOM 1239 CB THR A 81 1.620 -8.297 11.458 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.918 -9.695 11.558 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.223 -7.759 12.824 1.00 0.00 C ATOM 0 H THR A 81 1.850 -8.162 8.836 1.00 0.00 H new ATOM 0 HA THR A 81 -0.359 -8.698 10.696 1.00 0.00 H new ATOM 0 HB THR A 81 2.506 -7.761 11.117 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.636 -9.830 12.211 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.034 -7.930 13.532 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.025 -6.690 12.750 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.325 -8.271 13.170 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.231 -6.374 10.587 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.764 -5.018 10.637 1.00 0.00 C ATOM 1251 C LYS A 82 -0.957 -4.150 11.597 1.00 0.00 C ATOM 1252 O LYS A 82 -1.093 -4.264 12.817 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.233 -5.041 11.067 1.00 0.00 C ATOM 1254 CG LYS A 82 -4.204 -5.192 9.908 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.634 -4.915 10.339 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.300 -6.165 10.894 1.00 0.00 C ATOM 1257 NZ LYS A 82 -6.025 -6.342 12.346 1.00 0.00 N ATOM 0 H LYS A 82 -1.937 -7.107 10.649 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.690 -4.589 9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.385 -5.863 11.767 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.460 -4.120 11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.925 -4.507 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.134 -6.202 9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.642 -4.131 11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.206 -4.543 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.376 -6.105 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.944 -7.039 10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.825 -6.833 12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.160 -6.906 12.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.898 -5.411 12.791 1.00 0.00 H new ATOM 1271 N LEU A 83 -0.116 -3.284 11.042 1.00 0.00 N ATOM 1272 CA LEU A 83 0.712 -2.396 11.849 1.00 0.00 C ATOM 1273 C LEU A 83 -0.028 -1.100 12.167 1.00 0.00 C ATOM 1274 O LEU A 83 0.086 -0.563 13.269 1.00 0.00 O ATOM 1275 CB LEU A 83 2.021 -2.086 11.120 1.00 0.00 C ATOM 1276 CG LEU A 83 2.768 -3.286 10.541 1.00 0.00 C ATOM 1277 CD1 LEU A 83 3.940 -2.826 9.689 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.246 -4.207 11.655 1.00 0.00 C ATOM 0 H LEU A 83 0.010 -3.178 10.035 1.00 0.00 H new ATOM 0 HA LEU A 83 0.938 -2.902 12.788 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.805 -1.392 10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.686 -1.570 11.813 1.00 0.00 H new ATOM 0 HG LEU A 83 2.080 -3.844 9.906 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.460 -3.695 9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.573 -2.209 8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.628 -2.244 10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.776 -5.056 11.223 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.917 -3.659 12.317 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.388 -4.566 12.224 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.785 -0.605 11.195 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.546 0.628 11.371 1.00 0.00 C ATOM 1292 C LEU A 84 -3.039 0.335 11.484 1.00 0.00 C ATOM 1293 O LEU A 84 -3.454 -0.825 11.515 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.289 1.580 10.201 1.00 0.00 C ATOM 1295 CG LEU A 84 0.177 1.903 9.908 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.307 2.633 8.581 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.777 2.731 11.036 1.00 0.00 C ATOM 0 H LEU A 84 -0.889 -1.037 10.277 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.216 1.101 12.296 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.732 1.148 9.303 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.814 2.515 10.397 1.00 0.00 H new ATOM 0 HG LEU A 84 0.729 0.966 9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.357 2.855 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.084 2.005 7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.259 3.564 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.820 2.951 10.810 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.223 3.664 11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.718 2.171 11.969 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.841 1.392 11.545 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.288 1.248 11.652 1.00 0.00 C ATOM 1311 C ASP A 85 -6.000 2.232 10.729 1.00 0.00 C ATOM 1312 O ASP A 85 -5.480 3.296 10.394 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.738 1.467 13.097 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.301 0.343 14.015 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -4.281 -0.310 13.711 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -5.977 0.118 15.040 1.00 0.00 O ATOM 0 H ASP A 85 -3.514 2.358 11.522 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.552 0.235 11.348 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.331 2.410 13.462 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.824 1.556 13.127 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.222 1.871 10.307 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.032 2.708 9.418 1.00 0.00 C ATOM 1323 C PRO A 86 -8.538 3.968 10.109 1.00 0.00 C ATOM 1324 O PRO A 86 -9.217 4.793 9.498 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.204 1.796 9.043 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.309 0.831 10.174 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.905 0.617 10.668 1.00 0.00 C ATOM 0 HA PRO A 86 -7.460 3.065 8.561 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.126 2.365 8.921 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.020 1.282 8.100 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.945 1.226 10.966 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.754 -0.108 9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.880 0.441 11.743 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.439 -0.246 10.193 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.201 4.113 11.388 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.622 5.274 12.161 1.00 0.00 C ATOM 1337 C GLU A 87 -7.434 6.179 12.476 1.00 0.00 C ATOM 1338 O GLU A 87 -7.511 7.398 12.326 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.299 4.832 13.460 1.00 0.00 C ATOM 1340 CG GLU A 87 -10.564 4.020 13.242 1.00 0.00 C ATOM 1341 CD GLU A 87 -11.316 3.752 14.531 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -12.179 4.578 14.896 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -11.041 2.718 15.175 1.00 0.00 O ATOM 0 H GLU A 87 -7.638 3.441 11.909 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.336 5.837 11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.594 4.240 14.044 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.542 5.715 14.052 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.217 4.551 12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.305 3.071 12.773 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.336 5.572 12.914 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.131 6.321 13.250 1.00 0.00 C ATOM 1352 C ASP A 88 -4.552 7.001 12.014 1.00 0.00 C ATOM 1353 O ASP A 88 -4.190 8.177 12.052 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.086 5.393 13.873 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.214 5.308 15.382 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -5.347 5.118 15.872 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -3.181 5.431 16.071 1.00 0.00 O ATOM 0 H ASP A 88 -6.256 4.564 13.045 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.401 7.091 13.973 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.189 4.396 13.446 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.088 5.749 13.615 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.466 6.253 10.918 1.00 0.00 N ATOM 1363 CA VAL A 89 -3.931 6.785 9.670 1.00 0.00 C ATOM 1364 C VAL A 89 -4.842 7.864 9.096 1.00 0.00 C ATOM 1365 O VAL A 89 -4.379 8.923 8.675 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.747 5.673 8.620 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.350 6.267 7.277 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.712 4.662 9.091 1.00 0.00 C ATOM 0 H VAL A 89 -4.760 5.277 10.869 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.959 7.221 9.903 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.698 5.155 8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.224 5.467 6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.129 6.949 6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.412 6.812 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.595 3.883 8.337 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.757 5.164 9.246 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.042 4.213 10.028 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.142 7.588 9.084 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.120 8.536 8.562 1.00 0.00 C ATOM 1380 C ASN A 90 -7.117 9.825 9.378 1.00 0.00 C ATOM 1381 O ASN A 90 -7.862 9.960 10.348 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.519 7.916 8.574 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.586 8.885 8.102 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.342 9.714 7.224 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.774 8.787 8.686 1.00 0.00 N ATOM 0 H ASN A 90 -6.543 6.716 9.430 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.844 8.776 7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.527 7.032 7.936 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.757 7.582 9.584 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.530 9.414 8.412 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.931 8.085 9.409 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.274 10.771 8.975 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.175 12.050 9.667 1.00 0.00 C ATOM 1394 C VAL A 91 -5.710 13.152 8.721 1.00 0.00 C ATOM 1395 O VAL A 91 -5.194 12.877 7.637 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.203 11.971 10.860 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.766 11.876 10.372 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.386 13.169 11.778 1.00 0.00 C ATOM 0 H VAL A 91 -5.650 10.675 8.173 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.173 12.287 10.036 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.428 11.070 11.430 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.094 11.821 11.228 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.648 10.982 9.760 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.525 12.757 9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.691 13.096 12.615 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.190 14.086 11.223 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.408 13.185 12.156 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.895 14.399 9.138 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.494 15.544 8.328 1.00 0.00 C ATOM 1410 C ASP A 92 -4.039 15.413 7.886 1.00 0.00 C ATOM 1411 O ASP A 92 -3.734 15.487 6.696 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.687 16.843 9.112 1.00 0.00 C ATOM 1413 CG ASP A 92 -7.104 17.005 9.624 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.939 17.572 8.889 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.378 16.565 10.761 1.00 0.00 O ATOM 0 H ASP A 92 -6.320 14.643 10.032 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.125 15.568 7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.995 16.862 9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.435 17.690 8.474 1.00 0.00 H new ATOM 1420 N GLN A 93 -3.148 15.219 8.853 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.725 15.080 8.563 1.00 0.00 C ATOM 1422 C GLN A 93 -1.121 13.919 9.344 1.00 0.00 C ATOM 1423 O GLN A 93 -0.535 14.095 10.412 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.986 16.376 8.899 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.570 17.119 10.090 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.998 18.514 10.246 1.00 0.00 C ATOM 1427 OE1 GLN A 93 -1.456 19.461 9.605 1.00 0.00 O ATOM 1428 NE2 GLN A 93 0.009 18.649 11.102 1.00 0.00 N ATOM 0 H GLN A 93 -3.386 15.155 9.843 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.615 14.873 7.498 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.060 16.146 9.102 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.005 17.031 8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.652 17.185 9.977 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.378 16.548 10.999 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.357 17.837 11.612 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.434 19.564 11.249 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.267 12.701 8.801 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.743 11.485 9.431 1.00 0.00 C ATOM 1439 C PRO A 94 0.781 11.426 9.397 1.00 0.00 C ATOM 1440 O PRO A 94 1.425 12.184 8.671 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.341 10.360 8.584 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.597 10.982 7.255 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.955 12.416 7.531 1.00 0.00 C ATOM 0 HA PRO A 94 -1.006 11.427 10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.653 9.518 8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.261 9.978 9.026 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.716 10.916 6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.407 10.471 6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.615 13.076 6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.033 12.551 7.619 1.00 0.00 H new ATOM 1451 N ASP A 95 1.351 10.521 10.184 1.00 0.00 N ATOM 1452 CA ASP A 95 2.799 10.362 10.242 1.00 0.00 C ATOM 1453 C ASP A 95 3.300 9.508 9.081 1.00 0.00 C ATOM 1454 O ASP A 95 3.128 8.290 9.074 1.00 0.00 O ATOM 1455 CB ASP A 95 3.211 9.726 11.571 1.00 0.00 C ATOM 1456 CG ASP A 95 4.582 10.180 12.030 1.00 0.00 C ATOM 1457 OD1 ASP A 95 5.579 9.825 11.366 1.00 0.00 O ATOM 1458 OD2 ASP A 95 4.660 10.893 13.053 1.00 0.00 O ATOM 0 H ASP A 95 0.832 9.886 10.791 1.00 0.00 H new ATOM 0 HA ASP A 95 3.251 11.351 10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.474 9.977 12.334 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.207 8.641 11.468 1.00 0.00 H new ATOM 1463 N GLU A 96 3.917 10.159 8.099 1.00 0.00 N ATOM 1464 CA GLU A 96 4.440 9.460 6.931 1.00 0.00 C ATOM 1465 C GLU A 96 5.399 8.348 7.347 1.00 0.00 C ATOM 1466 O GLU A 96 5.529 7.335 6.660 1.00 0.00 O ATOM 1467 CB GLU A 96 5.152 10.441 5.998 1.00 0.00 C ATOM 1468 CG GLU A 96 6.036 11.440 6.726 1.00 0.00 C ATOM 1469 CD GLU A 96 7.048 12.100 5.809 1.00 0.00 C ATOM 1470 OE1 GLU A 96 7.279 11.572 4.701 1.00 0.00 O ATOM 1471 OE2 GLU A 96 7.610 13.143 6.200 1.00 0.00 O ATOM 0 H GLU A 96 4.067 11.168 8.089 1.00 0.00 H new ATOM 0 HA GLU A 96 3.600 9.012 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.760 9.879 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.406 10.984 5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.411 12.207 7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.561 10.933 7.535 1.00 0.00 H new ATOM 1478 N LYS A 97 6.070 8.546 8.477 1.00 0.00 N ATOM 1479 CA LYS A 97 7.018 7.562 8.987 1.00 0.00 C ATOM 1480 C LYS A 97 6.296 6.304 9.456 1.00 0.00 C ATOM 1481 O LYS A 97 6.829 5.198 9.360 1.00 0.00 O ATOM 1482 CB LYS A 97 7.831 8.156 10.139 1.00 0.00 C ATOM 1483 CG LYS A 97 8.540 9.450 9.779 1.00 0.00 C ATOM 1484 CD LYS A 97 9.857 9.185 9.068 1.00 0.00 C ATOM 1485 CE LYS A 97 9.679 9.152 7.558 1.00 0.00 C ATOM 1486 NZ LYS A 97 9.869 10.498 6.948 1.00 0.00 N ATOM 0 H LYS A 97 5.975 9.379 9.057 1.00 0.00 H new ATOM 0 HA LYS A 97 7.694 7.291 8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.168 8.338 10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.571 7.425 10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.895 10.054 9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.724 10.029 10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.577 9.959 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.270 8.235 9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.393 8.452 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.682 8.782 7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.740 10.434 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.172 11.160 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.829 10.841 7.156 1.00 0.00 H new ATOM 1500 N SER A 98 5.080 6.478 9.963 1.00 0.00 N ATOM 1501 CA SER A 98 4.285 5.357 10.450 1.00 0.00 C ATOM 1502 C SER A 98 3.606 4.630 9.293 1.00 0.00 C ATOM 1503 O SER A 98 3.098 3.520 9.455 1.00 0.00 O ATOM 1504 CB SER A 98 3.233 5.844 11.448 1.00 0.00 C ATOM 1505 OG SER A 98 3.843 6.418 12.592 1.00 0.00 O ATOM 0 H SER A 98 4.623 7.386 10.047 1.00 0.00 H new ATOM 0 HA SER A 98 4.956 4.660 10.952 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.586 6.579 10.970 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.599 5.010 11.750 1.00 0.00 H new ATOM 0 HG SER A 98 3.150 6.723 13.214 1.00 0.00 H new ATOM 1511 N ILE A 99 3.600 5.264 8.125 1.00 0.00 N ATOM 1512 CA ILE A 99 2.985 4.679 6.941 1.00 0.00 C ATOM 1513 C ILE A 99 4.030 4.024 6.045 1.00 0.00 C ATOM 1514 O ILE A 99 3.840 2.905 5.568 1.00 0.00 O ATOM 1515 CB ILE A 99 2.215 5.734 6.126 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.053 6.297 6.947 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.708 5.133 4.825 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.486 7.584 6.390 1.00 0.00 C ATOM 0 H ILE A 99 4.015 6.184 7.974 1.00 0.00 H new ATOM 0 HA ILE A 99 2.285 3.921 7.292 1.00 0.00 H new ATOM 0 HB ILE A 99 2.895 6.551 5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.259 5.552 6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.391 6.471 7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.166 5.892 4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.553 4.777 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.041 4.299 5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.334 7.924 7.023 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.266 8.345 6.366 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.116 7.411 5.379 1.00 0.00 H new ATOM 1530 N ILE A 100 5.135 4.729 5.821 1.00 0.00 N ATOM 1531 CA ILE A 100 6.212 4.214 4.986 1.00 0.00 C ATOM 1532 C ILE A 100 6.666 2.837 5.459 1.00 0.00 C ATOM 1533 O ILE A 100 7.105 2.007 4.661 1.00 0.00 O ATOM 1534 CB ILE A 100 7.422 5.167 4.977 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.033 6.514 4.366 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.580 4.546 4.211 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.820 7.680 4.923 1.00 0.00 C ATOM 0 H ILE A 100 5.307 5.658 6.206 1.00 0.00 H new ATOM 0 HA ILE A 100 5.815 4.134 3.974 1.00 0.00 H new ATOM 0 HB ILE A 100 7.741 5.335 6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.179 6.470 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.971 6.688 4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.427 5.232 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.870 3.609 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.274 4.352 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.491 8.603 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.655 7.750 5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.882 7.529 4.728 1.00 0.00 H new ATOM 1549 N THR A 101 6.557 2.600 6.763 1.00 0.00 N ATOM 1550 CA THR A 101 6.956 1.324 7.342 1.00 0.00 C ATOM 1551 C THR A 101 5.943 0.232 7.017 1.00 0.00 C ATOM 1552 O THR A 101 6.311 -0.919 6.781 1.00 0.00 O ATOM 1553 CB THR A 101 7.110 1.427 8.872 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.881 2.586 9.210 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.784 0.183 9.431 1.00 0.00 C ATOM 0 H THR A 101 6.196 3.275 7.437 1.00 0.00 H new ATOM 0 HA THR A 101 7.919 1.064 6.903 1.00 0.00 H new ATOM 0 HB THR A 101 6.116 1.512 9.311 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.311 3.382 9.166 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.882 0.277 10.512 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.181 -0.694 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.772 0.073 8.985 1.00 0.00 H new ATOM 1563 N TYR A 102 4.666 0.599 7.007 1.00 0.00 N ATOM 1564 CA TYR A 102 3.600 -0.350 6.713 1.00 0.00 C ATOM 1565 C TYR A 102 3.602 -0.730 5.235 1.00 0.00 C ATOM 1566 O TYR A 102 3.620 -1.910 4.886 1.00 0.00 O ATOM 1567 CB TYR A 102 2.242 0.240 7.098 1.00 0.00 C ATOM 1568 CG TYR A 102 1.067 -0.533 6.544 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.512 -1.593 7.250 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.512 -0.204 5.314 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.561 -2.302 6.748 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.562 -0.907 4.803 1.00 0.00 C ATOM 1573 CZ TYR A 102 -1.095 -1.955 5.524 1.00 0.00 C ATOM 1574 OH TYR A 102 -2.165 -2.659 5.019 1.00 0.00 O ATOM 0 H TYR A 102 4.345 1.548 7.199 1.00 0.00 H new ATOM 0 HA TYR A 102 3.777 -1.250 7.302 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.165 0.273 8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.189 1.269 6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.927 -1.867 8.209 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.927 0.616 4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.980 -3.124 7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.982 -0.638 3.845 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.983 -2.130 5.123 1.00 0.00 H new ATOM 1584 N VAL A 103 3.581 0.280 4.372 1.00 0.00 N ATOM 1585 CA VAL A 103 3.582 0.054 2.931 1.00 0.00 C ATOM 1586 C VAL A 103 4.814 -0.732 2.499 1.00 0.00 C ATOM 1587 O VAL A 103 4.787 -1.448 1.498 1.00 0.00 O ATOM 1588 CB VAL A 103 3.536 1.384 2.154 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.733 2.253 2.514 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.486 1.124 0.657 1.00 0.00 C ATOM 0 H VAL A 103 3.563 1.263 4.645 1.00 0.00 H new ATOM 0 HA VAL A 103 2.687 -0.524 2.701 1.00 0.00 H new ATOM 0 HB VAL A 103 2.630 1.920 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.685 3.188 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.719 2.467 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.654 1.727 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.454 2.074 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.373 0.568 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.595 0.543 0.418 1.00 0.00 H new ATOM 1600 N ALA A 104 5.895 -0.594 3.260 1.00 0.00 N ATOM 1601 CA ALA A 104 7.137 -1.294 2.958 1.00 0.00 C ATOM 1602 C ALA A 104 6.924 -2.804 2.930 1.00 0.00 C ATOM 1603 O ALA A 104 7.562 -3.518 2.155 1.00 0.00 O ATOM 1604 CB ALA A 104 8.210 -0.928 3.972 1.00 0.00 C ATOM 0 H ALA A 104 5.935 -0.003 4.091 1.00 0.00 H new ATOM 0 HA ALA A 104 7.469 -0.982 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.132 -1.458 3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.391 0.146 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.877 -1.209 4.971 1.00 0.00 H new ATOM 1610 N THR A 105 6.024 -3.286 3.783 1.00 0.00 N ATOM 1611 CA THR A 105 5.729 -4.711 3.858 1.00 0.00 C ATOM 1612 C THR A 105 5.082 -5.206 2.571 1.00 0.00 C ATOM 1613 O THR A 105 5.281 -6.352 2.166 1.00 0.00 O ATOM 1614 CB THR A 105 4.798 -5.029 5.044 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.455 -4.650 4.727 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.254 -4.302 6.300 1.00 0.00 C ATOM 0 H THR A 105 5.487 -2.710 4.431 1.00 0.00 H new ATOM 0 HA THR A 105 6.679 -5.225 4.004 1.00 0.00 H new ATOM 0 HB THR A 105 4.837 -6.102 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.395 -3.673 4.673 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.582 -4.542 7.124 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.266 -4.616 6.555 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.241 -3.227 6.123 1.00 0.00 H new ATOM 1624 N TYR A 106 4.307 -4.338 1.932 1.00 0.00 N ATOM 1625 CA TYR A 106 3.627 -4.689 0.689 1.00 0.00 C ATOM 1626 C TYR A 106 4.635 -4.961 -0.423 1.00 0.00 C ATOM 1627 O TYR A 106 4.408 -5.808 -1.288 1.00 0.00 O ATOM 1628 CB TYR A 106 2.677 -3.567 0.268 1.00 0.00 C ATOM 1629 CG TYR A 106 1.315 -3.652 0.920 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.182 -4.018 2.254 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.161 -3.367 0.201 1.00 0.00 C ATOM 1632 CE1 TYR A 106 -0.060 -4.097 2.853 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.086 -3.443 0.792 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.191 -3.808 2.118 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.430 -3.886 2.710 1.00 0.00 O ATOM 0 H TYR A 106 4.133 -3.386 2.253 1.00 0.00 H new ATOM 0 HA TYR A 106 3.050 -5.597 0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.130 -2.607 0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.555 -3.593 -0.815 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.065 -4.245 2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.240 -3.081 -0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.145 -4.383 3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.973 -3.218 0.219 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.406 -3.433 3.579 1.00 0.00 H new ATOM 1645 N TYR A 107 5.749 -4.238 -0.395 1.00 0.00 N ATOM 1646 CA TYR A 107 6.791 -4.399 -1.400 1.00 0.00 C ATOM 1647 C TYR A 107 7.675 -5.602 -1.082 1.00 0.00 C ATOM 1648 O TYR A 107 7.798 -6.527 -1.885 1.00 0.00 O ATOM 1649 CB TYR A 107 7.645 -3.134 -1.488 1.00 0.00 C ATOM 1650 CG TYR A 107 8.952 -3.333 -2.222 1.00 0.00 C ATOM 1651 CD1 TYR A 107 8.980 -3.475 -3.605 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.158 -3.381 -1.535 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.171 -3.658 -4.279 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.354 -3.562 -2.201 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.355 -3.701 -3.575 1.00 0.00 C ATOM 1656 OH TYR A 107 12.544 -3.883 -4.243 1.00 0.00 O ATOM 0 H TYR A 107 5.953 -3.534 0.314 1.00 0.00 H new ATOM 0 HA TYR A 107 6.308 -4.570 -2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.072 -2.354 -1.989 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.855 -2.777 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.055 -3.442 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.160 -3.275 -0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.175 -3.767 -5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.283 -3.595 -1.651 1.00 0.00 H new ATOM 0 HH TYR A 107 13.283 -3.888 -3.600 1.00 0.00 H new ATOM 1666 N HIS A 108 8.288 -5.581 0.098 1.00 0.00 N ATOM 1667 CA HIS A 108 9.160 -6.670 0.525 1.00 0.00 C ATOM 1668 C HIS A 108 8.441 -8.011 0.430 1.00 0.00 C ATOM 1669 O HIS A 108 9.059 -9.039 0.153 1.00 0.00 O ATOM 1670 CB HIS A 108 9.640 -6.435 1.958 1.00 0.00 C ATOM 1671 CG HIS A 108 10.779 -5.469 2.058 1.00 0.00 C ATOM 1672 ND1 HIS A 108 12.091 -5.824 1.825 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.798 -4.151 2.366 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.867 -4.768 1.987 1.00 0.00 C ATOM 1675 NE2 HIS A 108 12.107 -3.740 2.316 1.00 0.00 N ATOM 0 H HIS A 108 8.197 -4.823 0.774 1.00 0.00 H new ATOM 0 HA HIS A 108 10.023 -6.693 -0.140 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.807 -6.064 2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.944 -7.388 2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.943 -3.537 2.606 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.940 -4.749 1.870 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.439 -2.794 2.503 1.00 0.00 H new ATOM 1684 N TYR A 109 7.133 -7.994 0.662 1.00 0.00 N ATOM 1685 CA TYR A 109 6.330 -9.209 0.605 1.00 0.00 C ATOM 1686 C TYR A 109 6.249 -9.743 -0.822 1.00 0.00 C ATOM 1687 O TYR A 109 6.788 -10.806 -1.132 1.00 0.00 O ATOM 1688 CB TYR A 109 4.923 -8.942 1.142 1.00 0.00 C ATOM 1689 CG TYR A 109 3.906 -9.976 0.716 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.785 -11.182 1.396 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.065 -9.748 -0.367 1.00 0.00 C ATOM 1692 CE1 TYR A 109 2.857 -12.129 1.010 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.134 -10.689 -0.759 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.034 -11.878 -0.068 1.00 0.00 C ATOM 1695 OH TYR A 109 1.107 -12.820 -0.455 1.00 0.00 O ATOM 0 H TYR A 109 6.606 -7.151 0.891 1.00 0.00 H new ATOM 0 HA TYR A 109 6.813 -9.962 1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 109 4.959 -8.907 2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.594 -7.960 0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.428 -11.382 2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.141 -8.818 -0.911 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.776 -13.061 1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.488 -10.495 -1.602 1.00 0.00 H new ATOM 0 HH TYR A 109 0.607 -12.488 -1.230 1.00 0.00 H new ATOM 1705 N PHE A 110 5.572 -8.996 -1.688 1.00 0.00 N ATOM 1706 CA PHE A 110 5.419 -9.393 -3.083 1.00 0.00 C ATOM 1707 C PHE A 110 6.773 -9.717 -3.709 1.00 0.00 C ATOM 1708 O PHE A 110 6.914 -10.703 -4.431 1.00 0.00 O ATOM 1709 CB PHE A 110 4.730 -8.283 -3.879 1.00 0.00 C ATOM 1710 CG PHE A 110 3.233 -8.399 -3.898 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.614 -9.425 -4.593 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.444 -7.484 -3.220 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.236 -9.534 -4.614 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.066 -7.588 -3.237 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.462 -8.615 -3.933 1.00 0.00 C ATOM 0 H PHE A 110 5.121 -8.113 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 110 4.801 -10.290 -3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.006 -7.318 -3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.101 -8.298 -4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.215 -10.148 -5.125 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.912 -6.680 -2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.765 -10.337 -5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.463 -6.866 -2.706 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.615 -8.700 -3.945 1.00 0.00 H new ATOM 1725 N SER A 111 7.764 -8.878 -3.425 1.00 0.00 N ATOM 1726 CA SER A 111 9.106 -9.073 -3.962 1.00 0.00 C ATOM 1727 C SER A 111 9.559 -10.519 -3.786 1.00 0.00 C ATOM 1728 O SER A 111 10.060 -11.143 -4.721 1.00 0.00 O ATOM 1729 CB SER A 111 10.095 -8.129 -3.274 1.00 0.00 C ATOM 1730 OG SER A 111 10.643 -8.725 -2.110 1.00 0.00 O ATOM 0 H SER A 111 7.663 -8.058 -2.827 1.00 0.00 H new ATOM 0 HA SER A 111 9.080 -8.847 -5.028 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.897 -7.870 -3.966 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.591 -7.200 -3.008 1.00 0.00 H new ATOM 0 HG SER A 111 9.956 -8.774 -1.413 1.00 0.00 H new ATOM 1736 N LYS A 112 9.379 -11.045 -2.579 1.00 0.00 N ATOM 1737 CA LYS A 112 9.766 -12.418 -2.277 1.00 0.00 C ATOM 1738 C LYS A 112 9.415 -13.348 -3.433 1.00 0.00 C ATOM 1739 O LYS A 112 10.245 -14.142 -3.877 1.00 0.00 O ATOM 1740 CB LYS A 112 9.076 -12.894 -0.997 1.00 0.00 C ATOM 1741 CG LYS A 112 9.492 -12.121 0.242 1.00 0.00 C ATOM 1742 CD LYS A 112 9.351 -12.963 1.499 1.00 0.00 C ATOM 1743 CE LYS A 112 7.948 -12.870 2.079 1.00 0.00 C ATOM 1744 NZ LYS A 112 7.684 -13.948 3.071 1.00 0.00 N ATOM 0 H LYS A 112 8.967 -10.541 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 112 10.846 -12.441 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.997 -12.809 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.297 -13.951 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.526 -11.793 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.881 -11.223 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.582 -14.003 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.076 -12.632 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.816 -11.898 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.217 -12.932 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 6.718 -13.849 3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.785 -14.875 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.365 -13.874 3.854 1.00 0.00 H new