USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 969 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 66 GLN : amide:sc= 0.109 X(o=0.47,f=0.25) USER MOD Set 1.2: B 55 GLN : amide:sc= 0.288 K(o=0.47,f=-0.63) USER MOD Set 1.3: B 59 ASN : amide:sc= 0.0714 K(o=0.47,f=-0.63) USER MOD Set 2.1: A 30 THR OG1 : rot -136:sc= 0.897 USER MOD Set 2.2: B 48 SER OG : rot -41:sc= 0.836 USER MOD Set 3.1: B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 39 ASN : amide:sc=-0.00049 K(o=-0.00049,f=-0.84) USER MOD Set 4.1: A 68 SER OG : rot -79:sc= 0.958 USER MOD Set 4.2: B 42 THR OG1 : rot 80:sc= 1.23 USER MOD Set 5.1: A 55 GLN : amide:sc= 0.394 K(o=2,f=-0.6) USER MOD Set 5.2: A 59 ASN : amide:sc= 1.22 K(o=2,f=0.66) USER MOD Set 5.3: B 66 GLN : amide:sc= 0.367 K(o=2,f=-0.71) USER MOD Set 6.1: A 48 SER OG : rot -45:sc= 1.42 USER MOD Set 6.2: B 30 THR OG1 : rot -118:sc= 0.173 USER MOD Set 7.1: A 42 THR OG1 : rot 86:sc= 1.28 USER MOD Set 7.2: B 68 SER OG : rot 180:sc= -0.121 USER MOD Set 8.1: A 26 HIS : no HD1:sc= 0 X(o=-0.07,f=-0.09) USER MOD Set 8.2: B 11 GLN : amide:sc= -0.0701 K(o=-0.07,f=-0.8) USER MOD Set 9.1: A 14 GLN :FLIP amide:sc= 0.273 X(o=0.36,f=0.52) USER MOD Set 9.2: B 26 HIS :FLIP no HE2:sc= 0.246 F(o=-1.3,f=0.52) USER MOD Single : A 11 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.36) USER MOD Single : A 21 ASN : amide:sc= 0.491 K(o=0.49,f=-0.33) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0118) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= -0.0467 (180deg=-0.27) USER MOD Single : A 33 SER OG : rot -170:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 40 MET CE :methyl -155:sc=-0.00332 (180deg=-0.744) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 47 THR OG1 : rot -88:sc= 1.28 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 60 SER OG : rot -94:sc= 1.21 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 38:sc= 0.162 USER MOD Single : B 14 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 21 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 180:sc= -0.0177 USER MOD Single : B 40 MET CE :methyl -167:sc= 0 (180deg=-0.261) USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 46 ASN : amide:sc= -0.342 K(o=-0.34,f=-2.6) USER MOD Single : B 47 THR OG1 : rot -87:sc= 1.23 USER MOD Single : B 53 GLN : amide:sc=-0.00253 K(o=-0.0025,f=-0.82) USER MOD Single : B 60 SER OG : rot 17:sc= 0.114 USER MOD Single : B 67 SER OG : rot 70:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 137 N ASP A 9 -9.744 7.606 13.564 1.00 0.00 N ATOM 138 CA ASP A 9 -10.664 7.416 12.434 1.00 0.00 C ATOM 139 C ASP A 9 -11.051 8.740 11.784 1.00 0.00 C ATOM 140 O ASP A 9 -11.126 8.839 10.561 1.00 0.00 O ATOM 141 CB ASP A 9 -11.929 6.684 12.902 1.00 0.00 C ATOM 142 CG ASP A 9 -12.753 7.502 13.883 1.00 0.00 C ATOM 143 OD1 ASP A 9 -12.231 7.839 14.968 1.00 0.00 O ATOM 144 OD2 ASP A 9 -13.920 7.819 13.573 1.00 0.00 O ATOM 0 HA ASP A 9 -10.143 6.816 11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.543 6.438 12.035 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.646 5.741 13.370 1.00 0.00 H new ATOM 149 N GLU A 10 -11.277 9.751 12.613 1.00 0.00 N ATOM 150 CA GLU A 10 -11.650 11.077 12.141 1.00 0.00 C ATOM 151 C GLU A 10 -10.627 11.616 11.138 1.00 0.00 C ATOM 152 O GLU A 10 -10.988 12.058 10.043 1.00 0.00 O ATOM 153 CB GLU A 10 -11.781 12.022 13.337 1.00 0.00 C ATOM 154 CG GLU A 10 -10.556 12.025 14.237 1.00 0.00 C ATOM 155 CD GLU A 10 -10.734 12.886 15.462 1.00 0.00 C ATOM 156 OE1 GLU A 10 -10.625 14.123 15.343 1.00 0.00 O ATOM 157 OE2 GLU A 10 -10.977 12.329 16.551 1.00 0.00 O ATOM 0 H GLU A 10 -11.207 9.675 13.628 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.608 11.009 11.626 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.959 13.034 12.974 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.654 11.736 13.924 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.335 11.003 14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.695 12.380 13.670 1.00 0.00 H new ATOM 164 N GLN A 11 -9.353 11.537 11.505 1.00 0.00 N ATOM 165 CA GLN A 11 -8.281 12.066 10.680 1.00 0.00 C ATOM 166 C GLN A 11 -7.922 11.078 9.576 1.00 0.00 C ATOM 167 O GLN A 11 -7.587 11.482 8.467 1.00 0.00 O ATOM 168 CB GLN A 11 -7.053 12.385 11.540 1.00 0.00 C ATOM 169 CG GLN A 11 -5.897 12.984 10.755 1.00 0.00 C ATOM 170 CD GLN A 11 -4.753 13.436 11.643 1.00 0.00 C ATOM 171 OE1 GLN A 11 -4.710 14.583 12.085 1.00 0.00 O ATOM 172 NE2 GLN A 11 -3.815 12.539 11.904 1.00 0.00 N ATOM 0 H GLN A 11 -9.039 11.108 12.375 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.624 12.990 10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.343 13.079 12.329 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.715 11.471 12.028 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.528 12.247 10.042 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.259 13.834 10.176 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.888 11.598 11.518 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.019 12.789 12.491 1.00 0.00 H new ATOM 181 N VAL A 12 -8.010 9.787 9.881 1.00 0.00 N ATOM 182 CA VAL A 12 -7.753 8.745 8.890 1.00 0.00 C ATOM 183 C VAL A 12 -8.702 8.902 7.709 1.00 0.00 C ATOM 184 O VAL A 12 -8.274 8.946 6.557 1.00 0.00 O ATOM 185 CB VAL A 12 -7.913 7.328 9.490 1.00 0.00 C ATOM 186 CG1 VAL A 12 -7.787 6.258 8.412 1.00 0.00 C ATOM 187 CG2 VAL A 12 -6.888 7.094 10.590 1.00 0.00 C ATOM 0 H VAL A 12 -8.257 9.436 10.806 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.721 8.859 8.557 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.911 7.258 9.922 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.904 5.272 8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.561 6.407 7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.806 6.329 7.942 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.016 6.092 11.000 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.884 7.192 10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.029 7.830 11.381 1.00 0.00 H new ATOM 197 N GLU A 13 -9.989 9.016 8.011 1.00 0.00 N ATOM 198 CA GLU A 13 -11.013 9.195 6.990 1.00 0.00 C ATOM 199 C GLU A 13 -10.765 10.465 6.183 1.00 0.00 C ATOM 200 O GLU A 13 -10.780 10.443 4.954 1.00 0.00 O ATOM 201 CB GLU A 13 -12.392 9.254 7.644 1.00 0.00 C ATOM 202 CG GLU A 13 -13.522 9.530 6.670 1.00 0.00 C ATOM 203 CD GLU A 13 -14.855 9.683 7.363 1.00 0.00 C ATOM 204 OE1 GLU A 13 -15.093 10.744 7.974 1.00 0.00 O ATOM 205 OE2 GLU A 13 -15.672 8.744 7.304 1.00 0.00 O ATOM 0 H GLU A 13 -10.351 8.987 8.964 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.970 8.345 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.584 8.308 8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.388 10.030 8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.301 10.438 6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.582 8.716 5.948 1.00 0.00 H new ATOM 212 N GLN A 14 -10.520 11.566 6.884 1.00 0.00 N ATOM 213 CA GLN A 14 -10.332 12.859 6.239 1.00 0.00 C ATOM 214 C GLN A 14 -9.071 12.860 5.376 1.00 0.00 C ATOM 215 O GLN A 14 -9.059 13.413 4.277 1.00 0.00 O ATOM 216 CB GLN A 14 -10.258 13.964 7.296 1.00 0.00 C ATOM 217 CG GLN A 14 -10.263 15.369 6.718 1.00 0.00 C ATOM 218 CD GLN A 14 -10.319 16.436 7.792 1.00 0.00 C ATOM 219 OE1 GLN A 14 -11.524 16.808 8.190 1.00 0.00 O flip ATOM 220 NE2 GLN A 14 -9.289 16.915 8.265 1.00 0.00 N flip ATOM 0 H GLN A 14 -10.447 11.588 7.901 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.185 13.048 5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.102 13.859 7.977 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.352 13.828 7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.368 15.513 6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.119 15.482 6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.379 16.600 7.929 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.345 17.627 8.993 1.00 0.00 H new ATOM 229 N LEU A 15 -8.020 12.222 5.877 1.00 0.00 N ATOM 230 CA LEU A 15 -6.756 12.132 5.155 1.00 0.00 C ATOM 231 C LEU A 15 -6.932 11.257 3.917 1.00 0.00 C ATOM 232 O LEU A 15 -6.502 11.619 2.825 1.00 0.00 O ATOM 233 CB LEU A 15 -5.669 11.554 6.071 1.00 0.00 C ATOM 234 CG LEU A 15 -4.273 12.180 5.939 1.00 0.00 C ATOM 235 CD1 LEU A 15 -3.348 11.633 7.016 1.00 0.00 C ATOM 236 CD2 LEU A 15 -3.683 11.926 4.561 1.00 0.00 C ATOM 0 H LEU A 15 -8.018 11.757 6.785 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.449 13.129 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.998 11.663 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.586 10.485 5.873 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.373 13.258 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.361 12.084 6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.754 11.871 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.265 10.551 6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.695 12.381 4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.599 10.852 4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.332 12.362 3.801 1.00 0.00 H new ATOM 248 N LEU A 16 -7.588 10.114 4.100 1.00 0.00 N ATOM 249 CA LEU A 16 -7.841 9.178 3.010 1.00 0.00 C ATOM 250 C LEU A 16 -8.684 9.853 1.929 1.00 0.00 C ATOM 251 O LEU A 16 -8.397 9.734 0.735 1.00 0.00 O ATOM 252 CB LEU A 16 -8.544 7.924 3.556 1.00 0.00 C ATOM 253 CG LEU A 16 -8.518 6.674 2.661 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.830 5.438 3.486 1.00 0.00 C ATOM 255 CD2 LEU A 16 -9.511 6.791 1.511 1.00 0.00 C ATOM 0 H LEU A 16 -7.957 9.813 5.002 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.894 8.874 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.088 7.667 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.585 8.177 3.757 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.518 6.587 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.809 4.557 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.086 5.330 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.819 5.539 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.466 5.890 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.518 6.908 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.260 7.658 0.900 1.00 0.00 H new ATOM 267 N ALA A 17 -9.715 10.575 2.361 1.00 0.00 N ATOM 268 CA ALA A 17 -10.573 11.314 1.445 1.00 0.00 C ATOM 269 C ALA A 17 -9.759 12.311 0.632 1.00 0.00 C ATOM 270 O ALA A 17 -9.918 12.407 -0.580 1.00 0.00 O ATOM 271 CB ALA A 17 -11.679 12.028 2.210 1.00 0.00 C ATOM 0 H ALA A 17 -9.975 10.663 3.343 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.031 10.604 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.311 12.575 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.282 11.295 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.237 12.725 2.922 1.00 0.00 H new ATOM 277 N GLU A 18 -8.873 13.033 1.307 1.00 0.00 N ATOM 278 CA GLU A 18 -8.002 13.996 0.647 1.00 0.00 C ATOM 279 C GLU A 18 -7.048 13.314 -0.328 1.00 0.00 C ATOM 280 O GLU A 18 -6.840 13.801 -1.437 1.00 0.00 O ATOM 281 CB GLU A 18 -7.215 14.795 1.683 1.00 0.00 C ATOM 282 CG GLU A 18 -8.013 15.929 2.297 1.00 0.00 C ATOM 283 CD GLU A 18 -8.283 17.038 1.303 1.00 0.00 C ATOM 284 OE1 GLU A 18 -9.212 16.904 0.480 1.00 0.00 O ATOM 285 OE2 GLU A 18 -7.565 18.060 1.349 1.00 0.00 O ATOM 0 H GLU A 18 -8.739 12.969 2.316 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.633 14.676 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.883 14.123 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.319 15.202 1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.960 15.543 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.470 16.333 3.152 1.00 0.00 H new ATOM 292 N LEU A 19 -6.477 12.189 0.081 1.00 0.00 N ATOM 293 CA LEU A 19 -5.567 11.443 -0.780 1.00 0.00 C ATOM 294 C LEU A 19 -6.278 11.003 -2.057 1.00 0.00 C ATOM 295 O LEU A 19 -5.746 11.142 -3.160 1.00 0.00 O ATOM 296 CB LEU A 19 -5.002 10.226 -0.043 1.00 0.00 C ATOM 297 CG LEU A 19 -4.112 10.546 1.159 1.00 0.00 C ATOM 298 CD1 LEU A 19 -3.681 9.268 1.861 1.00 0.00 C ATOM 299 CD2 LEU A 19 -2.896 11.349 0.722 1.00 0.00 C ATOM 0 H LEU A 19 -6.627 11.773 1.000 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.740 12.099 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.834 9.608 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.428 9.628 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.688 11.147 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.049 9.517 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.562 8.729 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.123 8.641 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.274 11.568 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.320 10.772 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.222 12.283 0.264 1.00 0.00 H new ATOM 311 N LEU A 20 -7.493 10.490 -1.901 1.00 0.00 N ATOM 312 CA LEU A 20 -8.300 10.077 -3.043 1.00 0.00 C ATOM 313 C LEU A 20 -8.729 11.301 -3.850 1.00 0.00 C ATOM 314 O LEU A 20 -8.775 11.266 -5.083 1.00 0.00 O ATOM 315 CB LEU A 20 -9.526 9.290 -2.566 1.00 0.00 C ATOM 316 CG LEU A 20 -10.381 8.671 -3.675 1.00 0.00 C ATOM 317 CD1 LEU A 20 -9.555 7.711 -4.518 1.00 0.00 C ATOM 318 CD2 LEU A 20 -11.582 7.952 -3.078 1.00 0.00 C ATOM 0 H LEU A 20 -7.941 10.350 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.702 9.430 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.190 8.493 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.155 9.954 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.739 9.473 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.181 7.282 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.724 8.249 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.167 6.913 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.181 7.517 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.238 7.161 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.189 8.662 -2.516 1.00 0.00 H new ATOM 330 N ASN A 21 -9.026 12.384 -3.140 1.00 0.00 N ATOM 331 CA ASN A 21 -9.390 13.656 -3.759 1.00 0.00 C ATOM 332 C ASN A 21 -8.269 14.158 -4.665 1.00 0.00 C ATOM 333 O ASN A 21 -8.523 14.599 -5.779 1.00 0.00 O ATOM 334 CB ASN A 21 -9.707 14.695 -2.676 1.00 0.00 C ATOM 335 CG ASN A 21 -10.005 16.077 -3.231 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.518 16.225 -4.342 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.687 17.101 -2.454 1.00 0.00 N ATOM 0 H ASN A 21 -9.022 12.406 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.278 13.501 -4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.564 14.353 -2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.863 14.762 -1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.865 18.055 -2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.264 16.936 -1.541 1.00 0.00 H new ATOM 344 N VAL A 22 -7.030 14.074 -4.191 1.00 0.00 N ATOM 345 CA VAL A 22 -5.878 14.494 -4.985 1.00 0.00 C ATOM 346 C VAL A 22 -5.745 13.644 -6.247 1.00 0.00 C ATOM 347 O VAL A 22 -5.479 14.166 -7.334 1.00 0.00 O ATOM 348 CB VAL A 22 -4.565 14.419 -4.172 1.00 0.00 C ATOM 349 CG1 VAL A 22 -3.365 14.736 -5.051 1.00 0.00 C ATOM 350 CG2 VAL A 22 -4.618 15.372 -2.990 1.00 0.00 C ATOM 0 H VAL A 22 -6.797 13.720 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.050 15.533 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.456 13.401 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.453 14.677 -4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.313 14.017 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.468 15.742 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.686 15.307 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.754 16.392 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.452 15.102 -2.342 1.00 0.00 H new ATOM 360 N LEU A 23 -5.946 12.338 -6.104 1.00 0.00 N ATOM 361 CA LEU A 23 -5.877 11.424 -7.240 1.00 0.00 C ATOM 362 C LEU A 23 -6.938 11.778 -8.277 1.00 0.00 C ATOM 363 O LEU A 23 -6.653 11.861 -9.474 1.00 0.00 O ATOM 364 CB LEU A 23 -6.066 9.977 -6.774 1.00 0.00 C ATOM 365 CG LEU A 23 -5.019 9.472 -5.777 1.00 0.00 C ATOM 366 CD1 LEU A 23 -5.376 8.077 -5.291 1.00 0.00 C ATOM 367 CD2 LEU A 23 -3.630 9.482 -6.405 1.00 0.00 C ATOM 0 H LEU A 23 -6.158 11.888 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.893 11.522 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.052 9.884 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.056 9.326 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.010 10.144 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.621 7.734 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.349 8.101 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.414 7.395 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.901 9.120 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.623 8.835 -7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.372 10.499 -6.702 1.00 0.00 H new ATOM 379 N GLU A 24 -8.158 12.002 -7.802 1.00 0.00 N ATOM 380 CA GLU A 24 -9.276 12.374 -8.664 1.00 0.00 C ATOM 381 C GLU A 24 -9.064 13.778 -9.238 1.00 0.00 C ATOM 382 O GLU A 24 -9.476 14.077 -10.359 1.00 0.00 O ATOM 383 CB GLU A 24 -10.576 12.313 -7.860 1.00 0.00 C ATOM 384 CG GLU A 24 -11.834 12.542 -8.680 1.00 0.00 C ATOM 385 CD GLU A 24 -13.077 12.559 -7.816 1.00 0.00 C ATOM 386 OE1 GLU A 24 -13.639 11.476 -7.547 1.00 0.00 O ATOM 387 OE2 GLU A 24 -13.486 13.656 -7.387 1.00 0.00 O ATOM 0 H GLU A 24 -8.400 11.932 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.337 11.674 -9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.645 11.338 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.533 13.059 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.751 13.488 -9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.925 11.758 -9.431 1.00 0.00 H new ATOM 394 N LYS A 25 -8.407 14.625 -8.460 1.00 0.00 N ATOM 395 CA LYS A 25 -8.097 15.989 -8.869 1.00 0.00 C ATOM 396 C LYS A 25 -7.154 15.989 -10.064 1.00 0.00 C ATOM 397 O LYS A 25 -7.368 16.701 -11.044 1.00 0.00 O ATOM 398 CB LYS A 25 -7.446 16.741 -7.705 1.00 0.00 C ATOM 399 CG LYS A 25 -7.152 18.202 -7.993 1.00 0.00 C ATOM 400 CD LYS A 25 -6.248 18.810 -6.929 1.00 0.00 C ATOM 401 CE LYS A 25 -6.851 18.697 -5.535 1.00 0.00 C ATOM 402 NZ LYS A 25 -8.107 19.485 -5.396 1.00 0.00 N ATOM 0 H LYS A 25 -8.073 14.387 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.025 16.485 -9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.101 16.679 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.515 16.240 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.678 18.293 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.087 18.760 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.280 18.309 -6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.069 19.860 -7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.056 17.649 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.125 19.042 -4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.443 19.432 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.924 20.478 -5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.833 19.096 -6.031 1.00 0.00 H new ATOM 416 N HIS A 26 -6.112 15.176 -9.973 1.00 0.00 N ATOM 417 CA HIS A 26 -5.104 15.105 -11.021 1.00 0.00 C ATOM 418 C HIS A 26 -5.512 14.121 -12.109 1.00 0.00 C ATOM 419 O HIS A 26 -4.845 14.016 -13.139 1.00 0.00 O ATOM 420 CB HIS A 26 -3.755 14.700 -10.434 1.00 0.00 C ATOM 421 CG HIS A 26 -2.685 15.730 -10.626 1.00 0.00 C ATOM 422 ND1 HIS A 26 -1.599 15.545 -11.452 1.00 0.00 N ATOM 423 CD2 HIS A 26 -2.528 16.956 -10.073 1.00 0.00 C ATOM 424 CE1 HIS A 26 -0.820 16.608 -11.400 1.00 0.00 C ATOM 425 NE2 HIS A 26 -1.361 17.481 -10.571 1.00 0.00 N ATOM 0 H HIS A 26 -5.942 14.555 -9.182 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.016 16.095 -11.468 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.875 14.507 -9.368 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.434 13.765 -10.893 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.196 17.432 -9.371 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.104 16.741 -11.943 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.975 18.396 -10.338 1.00 0.00 H new ATOM 434 N LYS A 27 -6.607 13.404 -11.865 1.00 0.00 N ATOM 435 CA LYS A 27 -7.137 12.430 -12.816 1.00 0.00 C ATOM 436 C LYS A 27 -6.129 11.308 -13.051 1.00 0.00 C ATOM 437 O LYS A 27 -5.916 10.869 -14.184 1.00 0.00 O ATOM 438 CB LYS A 27 -7.500 13.111 -14.141 1.00 0.00 C ATOM 439 CG LYS A 27 -8.547 14.205 -13.999 1.00 0.00 C ATOM 440 CD LYS A 27 -9.879 13.648 -13.526 1.00 0.00 C ATOM 441 CE LYS A 27 -10.910 14.751 -13.343 1.00 0.00 C ATOM 442 NZ LYS A 27 -11.132 15.515 -14.597 1.00 0.00 N ATOM 0 H LYS A 27 -7.150 13.482 -11.005 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.043 11.997 -12.393 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.598 13.538 -14.579 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.867 12.358 -14.838 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.195 14.957 -13.292 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.682 14.707 -14.957 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.248 12.920 -14.249 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.739 13.119 -12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.853 14.315 -13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.579 15.431 -12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.985 16.102 -14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.310 16.125 -14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.257 14.853 -15.389 1.00 0.00 H new ATOM 456 N ALA A 28 -5.524 10.839 -11.967 1.00 0.00 N ATOM 457 CA ALA A 28 -4.531 9.781 -12.041 1.00 0.00 C ATOM 458 C ALA A 28 -5.198 8.410 -11.993 1.00 0.00 C ATOM 459 O ALA A 28 -5.943 8.109 -11.059 1.00 0.00 O ATOM 460 CB ALA A 28 -3.523 9.919 -10.909 1.00 0.00 C ATOM 0 H ALA A 28 -5.707 11.178 -11.023 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.004 9.873 -12.991 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.786 9.119 -10.979 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.020 10.883 -10.985 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.040 9.854 -9.952 1.00 0.00 H new ATOM 466 N PRO A 29 -4.949 7.568 -13.008 1.00 0.00 N ATOM 467 CA PRO A 29 -5.513 6.218 -13.075 1.00 0.00 C ATOM 468 C PRO A 29 -4.958 5.304 -11.986 1.00 0.00 C ATOM 469 O PRO A 29 -3.943 5.616 -11.361 1.00 0.00 O ATOM 470 CB PRO A 29 -5.089 5.719 -14.458 1.00 0.00 C ATOM 471 CG PRO A 29 -3.884 6.523 -14.800 1.00 0.00 C ATOM 472 CD PRO A 29 -4.103 7.872 -14.174 1.00 0.00 C ATOM 0 HA PRO A 29 -6.592 6.221 -12.923 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.862 4.653 -14.441 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.882 5.864 -15.191 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.979 6.055 -14.414 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.764 6.608 -15.880 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.162 8.337 -13.879 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.596 8.560 -14.861 1.00 0.00 H new ATOM 480 N THR A 30 -5.614 4.165 -11.786 1.00 0.00 N ATOM 481 CA THR A 30 -5.225 3.211 -10.753 1.00 0.00 C ATOM 482 C THR A 30 -3.776 2.762 -10.940 1.00 0.00 C ATOM 483 O THR A 30 -3.021 2.647 -9.976 1.00 0.00 O ATOM 484 CB THR A 30 -6.149 1.975 -10.775 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.523 2.389 -10.811 1.00 0.00 O ATOM 486 CG2 THR A 30 -5.913 1.096 -9.553 1.00 0.00 C ATOM 0 H THR A 30 -6.426 3.878 -12.332 1.00 0.00 H new ATOM 0 HA THR A 30 -5.319 3.713 -9.790 1.00 0.00 H new ATOM 0 HB THR A 30 -5.919 1.396 -11.669 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.045 1.847 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.576 0.232 -9.593 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.877 0.758 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.117 1.669 -8.648 1.00 0.00 H new ATOM 494 N ASP A 31 -3.395 2.531 -12.193 1.00 0.00 N ATOM 495 CA ASP A 31 -2.044 2.085 -12.529 1.00 0.00 C ATOM 496 C ASP A 31 -1.004 3.079 -12.026 1.00 0.00 C ATOM 497 O ASP A 31 -0.034 2.702 -11.365 1.00 0.00 O ATOM 498 CB ASP A 31 -1.905 1.916 -14.046 1.00 0.00 C ATOM 499 CG ASP A 31 -2.898 0.923 -14.618 1.00 0.00 C ATOM 500 OD1 ASP A 31 -4.092 1.276 -14.742 1.00 0.00 O ATOM 501 OD2 ASP A 31 -2.494 -0.211 -14.952 1.00 0.00 O ATOM 0 H ASP A 31 -4.008 2.646 -13.000 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.873 1.125 -12.042 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.045 2.883 -14.529 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.893 1.586 -14.279 1.00 0.00 H new ATOM 506 N LEU A 32 -1.222 4.349 -12.335 1.00 0.00 N ATOM 507 CA LEU A 32 -0.311 5.406 -11.914 1.00 0.00 C ATOM 508 C LEU A 32 -0.395 5.611 -10.403 1.00 0.00 C ATOM 509 O LEU A 32 0.617 5.840 -9.743 1.00 0.00 O ATOM 510 CB LEU A 32 -0.640 6.708 -12.653 1.00 0.00 C ATOM 511 CG LEU A 32 0.273 7.896 -12.329 1.00 0.00 C ATOM 512 CD1 LEU A 32 1.721 7.573 -12.677 1.00 0.00 C ATOM 513 CD2 LEU A 32 -0.189 9.136 -13.077 1.00 0.00 C ATOM 0 H LEU A 32 -2.023 4.674 -12.877 1.00 0.00 H new ATOM 0 HA LEU A 32 0.709 5.111 -12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.595 6.519 -13.725 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.668 6.988 -12.422 1.00 0.00 H new ATOM 0 HG LEU A 32 0.215 8.093 -11.258 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.352 8.429 -12.439 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.050 6.709 -12.100 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.798 7.350 -13.741 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.469 9.972 -12.837 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.158 8.946 -14.150 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.209 9.381 -12.781 1.00 0.00 H new ATOM 525 N SER A 33 -1.604 5.507 -9.867 1.00 0.00 N ATOM 526 CA SER A 33 -1.832 5.655 -8.436 1.00 0.00 C ATOM 527 C SER A 33 -1.010 4.636 -7.648 1.00 0.00 C ATOM 528 O SER A 33 -0.293 4.994 -6.710 1.00 0.00 O ATOM 529 CB SER A 33 -3.325 5.494 -8.128 1.00 0.00 C ATOM 530 OG SER A 33 -3.597 5.684 -6.751 1.00 0.00 O ATOM 0 H SER A 33 -2.448 5.319 -10.407 1.00 0.00 H new ATOM 0 HA SER A 33 -1.513 6.652 -8.133 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.898 6.212 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.654 4.500 -8.431 1.00 0.00 H new ATOM 0 HG SER A 33 -4.522 5.422 -6.561 1.00 0.00 H new ATOM 536 N LEU A 34 -1.096 3.371 -8.052 1.00 0.00 N ATOM 537 CA LEU A 34 -0.360 2.301 -7.386 1.00 0.00 C ATOM 538 C LEU A 34 1.143 2.516 -7.507 1.00 0.00 C ATOM 539 O LEU A 34 1.901 2.198 -6.589 1.00 0.00 O ATOM 540 CB LEU A 34 -0.746 0.940 -7.968 1.00 0.00 C ATOM 541 CG LEU A 34 -2.196 0.512 -7.730 1.00 0.00 C ATOM 542 CD1 LEU A 34 -2.473 -0.819 -8.411 1.00 0.00 C ATOM 543 CD2 LEU A 34 -2.488 0.417 -6.237 1.00 0.00 C ATOM 0 H LEU A 34 -1.668 3.062 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.626 2.319 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.562 0.958 -9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.087 0.182 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.854 1.267 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.508 -1.110 -8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.303 -0.721 -9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.807 -1.581 -8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.524 0.111 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.824 -0.318 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.326 1.389 -5.772 1.00 0.00 H new ATOM 555 N MET A 35 1.570 3.060 -8.640 1.00 0.00 N ATOM 556 CA MET A 35 2.981 3.358 -8.859 1.00 0.00 C ATOM 557 C MET A 35 3.470 4.411 -7.868 1.00 0.00 C ATOM 558 O MET A 35 4.531 4.260 -7.259 1.00 0.00 O ATOM 559 CB MET A 35 3.211 3.839 -10.296 1.00 0.00 C ATOM 560 CG MET A 35 4.668 4.134 -10.616 1.00 0.00 C ATOM 561 SD MET A 35 4.910 4.726 -12.302 1.00 0.00 S ATOM 562 CE MET A 35 6.691 4.919 -12.338 1.00 0.00 C ATOM 0 H MET A 35 0.961 3.304 -9.421 1.00 0.00 H new ATOM 0 HA MET A 35 3.550 2.442 -8.701 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.843 3.081 -10.987 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.621 4.739 -10.467 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.044 4.881 -9.917 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.258 3.230 -10.465 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.998 5.280 -13.319 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.995 5.636 -11.576 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.165 3.958 -12.141 1.00 0.00 H new ATOM 572 N VAL A 36 2.683 5.465 -7.699 1.00 0.00 N ATOM 573 CA VAL A 36 3.037 6.546 -6.787 1.00 0.00 C ATOM 574 C VAL A 36 3.012 6.066 -5.338 1.00 0.00 C ATOM 575 O VAL A 36 3.971 6.275 -4.594 1.00 0.00 O ATOM 576 CB VAL A 36 2.094 7.758 -6.949 1.00 0.00 C ATOM 577 CG1 VAL A 36 2.465 8.868 -5.973 1.00 0.00 C ATOM 578 CG2 VAL A 36 2.138 8.279 -8.377 1.00 0.00 C ATOM 0 H VAL A 36 1.794 5.595 -8.182 1.00 0.00 H new ATOM 0 HA VAL A 36 4.049 6.861 -7.041 1.00 0.00 H new ATOM 0 HB VAL A 36 1.079 7.429 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.787 9.711 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.386 8.496 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.488 9.192 -6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.468 9.133 -8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.155 8.586 -8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.823 7.491 -9.062 1.00 0.00 H new ATOM 588 N LEU A 37 1.923 5.408 -4.951 1.00 0.00 N ATOM 589 CA LEU A 37 1.770 4.907 -3.587 1.00 0.00 C ATOM 590 C LEU A 37 2.855 3.884 -3.260 1.00 0.00 C ATOM 591 O LEU A 37 3.404 3.887 -2.162 1.00 0.00 O ATOM 592 CB LEU A 37 0.386 4.281 -3.392 1.00 0.00 C ATOM 593 CG LEU A 37 -0.797 5.238 -3.559 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.112 4.493 -3.388 1.00 0.00 C ATOM 595 CD2 LEU A 37 -0.701 6.387 -2.564 1.00 0.00 C ATOM 0 H LEU A 37 1.132 5.209 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 37 1.871 5.753 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.273 3.463 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.341 3.845 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.764 5.653 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.943 5.188 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.185 3.706 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.153 4.050 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.551 7.056 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.708 5.991 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.225 6.937 -2.732 1.00 0.00 H new ATOM 607 N GLY A 38 3.166 3.024 -4.224 1.00 0.00 N ATOM 608 CA GLY A 38 4.202 2.024 -4.031 1.00 0.00 C ATOM 609 C GLY A 38 5.543 2.646 -3.689 1.00 0.00 C ATOM 610 O GLY A 38 6.186 2.257 -2.711 1.00 0.00 O ATOM 0 H GLY A 38 2.717 3.001 -5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.904 1.345 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.301 1.427 -4.937 1.00 0.00 H new ATOM 614 N ASN A 39 5.960 3.624 -4.486 1.00 0.00 N ATOM 615 CA ASN A 39 7.218 4.329 -4.245 1.00 0.00 C ATOM 616 C ASN A 39 7.152 5.101 -2.932 1.00 0.00 C ATOM 617 O ASN A 39 8.119 5.140 -2.170 1.00 0.00 O ATOM 618 CB ASN A 39 7.529 5.295 -5.393 1.00 0.00 C ATOM 619 CG ASN A 39 7.816 4.587 -6.705 1.00 0.00 C ATOM 620 OD1 ASN A 39 8.328 3.469 -6.726 1.00 0.00 O ATOM 621 ND2 ASN A 39 7.491 5.238 -7.814 1.00 0.00 N ATOM 0 H ASN A 39 5.446 3.948 -5.305 1.00 0.00 H new ATOM 0 HA ASN A 39 8.013 3.586 -4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.686 5.972 -5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.389 5.908 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.664 4.812 -8.725 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.068 6.164 -7.756 1.00 0.00 H new ATOM 628 N MET A 40 5.996 5.700 -2.678 1.00 0.00 N ATOM 629 CA MET A 40 5.771 6.487 -1.471 1.00 0.00 C ATOM 630 C MET A 40 5.947 5.628 -0.219 1.00 0.00 C ATOM 631 O MET A 40 6.715 5.981 0.679 1.00 0.00 O ATOM 632 CB MET A 40 4.370 7.107 -1.529 1.00 0.00 C ATOM 633 CG MET A 40 4.006 7.994 -0.347 1.00 0.00 C ATOM 634 SD MET A 40 3.453 7.062 1.093 1.00 0.00 S ATOM 635 CE MET A 40 2.894 8.391 2.152 1.00 0.00 C ATOM 0 H MET A 40 5.189 5.655 -3.301 1.00 0.00 H new ATOM 0 HA MET A 40 6.510 7.287 -1.418 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.288 7.695 -2.443 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.637 6.303 -1.599 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.872 8.596 -0.072 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.220 8.686 -0.648 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.942 8.071 3.193 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.533 9.263 2.010 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.866 8.650 1.899 1.00 0.00 H new ATOM 645 N VAL A 41 5.255 4.493 -0.173 1.00 0.00 N ATOM 646 CA VAL A 41 5.345 3.586 0.968 1.00 0.00 C ATOM 647 C VAL A 41 6.773 3.071 1.139 1.00 0.00 C ATOM 648 O VAL A 41 7.292 3.013 2.256 1.00 0.00 O ATOM 649 CB VAL A 41 4.378 2.388 0.825 1.00 0.00 C ATOM 650 CG1 VAL A 41 4.542 1.412 1.981 1.00 0.00 C ATOM 651 CG2 VAL A 41 2.940 2.872 0.745 1.00 0.00 C ATOM 0 H VAL A 41 4.626 4.179 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 41 5.058 4.155 1.852 1.00 0.00 H new ATOM 0 HB VAL A 41 4.625 1.865 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.850 0.579 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.565 1.035 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.329 1.922 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.273 2.016 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.690 3.422 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.824 3.526 -0.119 1.00 0.00 H new ATOM 661 N THR A 42 7.408 2.720 0.028 1.00 0.00 N ATOM 662 CA THR A 42 8.781 2.235 0.051 1.00 0.00 C ATOM 663 C THR A 42 9.722 3.277 0.661 1.00 0.00 C ATOM 664 O THR A 42 10.554 2.954 1.512 1.00 0.00 O ATOM 665 CB THR A 42 9.261 1.870 -1.367 1.00 0.00 C ATOM 666 OG1 THR A 42 8.392 0.881 -1.934 1.00 0.00 O ATOM 667 CG2 THR A 42 10.690 1.343 -1.342 1.00 0.00 C ATOM 0 H THR A 42 6.992 2.763 -0.902 1.00 0.00 H new ATOM 0 HA THR A 42 8.800 1.339 0.671 1.00 0.00 H new ATOM 0 HB THR A 42 9.238 2.772 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.623 1.322 -2.352 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.003 1.093 -2.356 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.353 2.107 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.738 0.451 -0.717 1.00 0.00 H new ATOM 675 N ASN A 43 9.568 4.530 0.240 1.00 0.00 N ATOM 676 CA ASN A 43 10.393 5.615 0.758 1.00 0.00 C ATOM 677 C ASN A 43 10.106 5.846 2.239 1.00 0.00 C ATOM 678 O ASN A 43 11.022 6.074 3.028 1.00 0.00 O ATOM 679 CB ASN A 43 10.148 6.904 -0.037 1.00 0.00 C ATOM 680 CG ASN A 43 10.986 8.069 0.461 1.00 0.00 C ATOM 681 OD1 ASN A 43 10.576 8.808 1.353 1.00 0.00 O ATOM 682 ND2 ASN A 43 12.162 8.250 -0.120 1.00 0.00 N ATOM 0 H ASN A 43 8.881 4.817 -0.457 1.00 0.00 H new ATOM 0 HA ASN A 43 11.440 5.331 0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.371 6.725 -1.089 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.092 7.169 0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.760 9.023 0.170 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.469 7.616 -0.857 1.00 0.00 H new ATOM 689 N LEU A 44 8.831 5.767 2.608 1.00 0.00 N ATOM 690 CA LEU A 44 8.413 5.940 3.997 1.00 0.00 C ATOM 691 C LEU A 44 9.081 4.902 4.896 1.00 0.00 C ATOM 692 O LEU A 44 9.598 5.228 5.968 1.00 0.00 O ATOM 693 CB LEU A 44 6.887 5.826 4.105 1.00 0.00 C ATOM 694 CG LEU A 44 6.311 6.020 5.510 1.00 0.00 C ATOM 695 CD1 LEU A 44 6.559 7.439 6.000 1.00 0.00 C ATOM 696 CD2 LEU A 44 4.823 5.701 5.519 1.00 0.00 C ATOM 0 H LEU A 44 8.065 5.583 1.961 1.00 0.00 H new ATOM 0 HA LEU A 44 8.721 6.932 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.437 6.564 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.586 4.844 3.740 1.00 0.00 H new ATOM 0 HG LEU A 44 6.816 5.333 6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.142 7.557 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.631 7.632 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.081 8.147 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.426 5.843 6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.304 6.365 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.671 4.666 5.212 1.00 0.00 H new ATOM 708 N ILE A 45 9.079 3.653 4.445 1.00 0.00 N ATOM 709 CA ILE A 45 9.697 2.563 5.194 1.00 0.00 C ATOM 710 C ILE A 45 11.214 2.731 5.243 1.00 0.00 C ATOM 711 O ILE A 45 11.838 2.496 6.273 1.00 0.00 O ATOM 712 CB ILE A 45 9.338 1.186 4.586 1.00 0.00 C ATOM 713 CG1 ILE A 45 7.822 0.970 4.636 1.00 0.00 C ATOM 714 CG2 ILE A 45 10.064 0.060 5.317 1.00 0.00 C ATOM 715 CD1 ILE A 45 7.369 -0.328 4.003 1.00 0.00 C ATOM 0 H ILE A 45 8.655 3.368 3.562 1.00 0.00 H new ATOM 0 HA ILE A 45 9.304 2.602 6.210 1.00 0.00 H new ATOM 0 HB ILE A 45 9.662 1.173 3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.496 0.990 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.329 1.801 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.794 -0.897 4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.141 0.208 5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.776 0.064 6.368 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.285 -0.410 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.663 -0.343 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.832 -1.167 4.522 1.00 0.00 H new ATOM 727 N ASN A 46 11.795 3.162 4.132 1.00 0.00 N ATOM 728 CA ASN A 46 13.241 3.364 4.048 1.00 0.00 C ATOM 729 C ASN A 46 13.708 4.460 5.008 1.00 0.00 C ATOM 730 O ASN A 46 14.771 4.354 5.617 1.00 0.00 O ATOM 731 CB ASN A 46 13.634 3.723 2.608 1.00 0.00 C ATOM 732 CG ASN A 46 15.110 4.058 2.451 1.00 0.00 C ATOM 733 OD1 ASN A 46 15.510 5.217 2.563 1.00 0.00 O ATOM 734 ND2 ASN A 46 15.924 3.052 2.163 1.00 0.00 N ATOM 0 H ASN A 46 11.289 3.380 3.273 1.00 0.00 H new ATOM 0 HA ASN A 46 13.731 2.434 4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.387 2.888 1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.039 4.574 2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.920 3.225 2.026 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.554 2.105 2.079 1.00 0.00 H new ATOM 741 N THR A 47 12.900 5.501 5.154 1.00 0.00 N ATOM 742 CA THR A 47 13.298 6.659 5.938 1.00 0.00 C ATOM 743 C THR A 47 12.894 6.550 7.410 1.00 0.00 C ATOM 744 O THR A 47 13.749 6.584 8.296 1.00 0.00 O ATOM 745 CB THR A 47 12.707 7.952 5.343 1.00 0.00 C ATOM 746 OG1 THR A 47 11.308 7.779 5.080 1.00 0.00 O ATOM 747 CG2 THR A 47 13.424 8.337 4.059 1.00 0.00 C ATOM 0 H THR A 47 11.969 5.566 4.741 1.00 0.00 H new ATOM 0 HA THR A 47 14.387 6.693 5.895 1.00 0.00 H new ATOM 0 HB THR A 47 12.843 8.752 6.070 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.188 7.406 4.182 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.988 9.253 3.659 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.481 8.500 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.317 7.535 3.328 1.00 0.00 H new ATOM 755 N SER A 48 11.598 6.419 7.671 1.00 0.00 N ATOM 756 CA SER A 48 11.093 6.505 9.037 1.00 0.00 C ATOM 757 C SER A 48 11.155 5.163 9.766 1.00 0.00 C ATOM 758 O SER A 48 11.178 5.122 10.996 1.00 0.00 O ATOM 759 CB SER A 48 9.663 7.052 9.047 1.00 0.00 C ATOM 760 OG SER A 48 8.771 6.208 8.336 1.00 0.00 O ATOM 0 H SER A 48 10.883 6.254 6.962 1.00 0.00 H new ATOM 0 HA SER A 48 11.744 7.194 9.575 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.321 7.157 10.077 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.652 8.048 8.604 1.00 0.00 H new ATOM 0 HG SER A 48 9.183 5.936 7.490 1.00 0.00 H new ATOM 766 N ILE A 49 11.185 4.069 9.021 1.00 0.00 N ATOM 767 CA ILE A 49 11.227 2.748 9.631 1.00 0.00 C ATOM 768 C ILE A 49 12.668 2.324 9.875 1.00 0.00 C ATOM 769 O ILE A 49 13.521 2.441 8.996 1.00 0.00 O ATOM 770 CB ILE A 49 10.499 1.688 8.769 1.00 0.00 C ATOM 771 CG1 ILE A 49 8.999 1.991 8.704 1.00 0.00 C ATOM 772 CG2 ILE A 49 10.735 0.282 9.311 1.00 0.00 C ATOM 773 CD1 ILE A 49 8.312 1.953 10.055 1.00 0.00 C ATOM 0 H ILE A 49 11.181 4.068 8.001 1.00 0.00 H new ATOM 0 HA ILE A 49 10.703 2.813 10.585 1.00 0.00 H new ATOM 0 HB ILE A 49 10.910 1.734 7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.855 2.976 8.260 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.520 1.270 8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.212 -0.442 8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.803 0.063 9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.359 0.218 10.332 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.253 2.177 9.931 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.424 0.961 10.493 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.765 2.694 10.714 1.00 0.00 H new ATOM 785 N ALA A 50 12.936 1.872 11.090 1.00 0.00 N ATOM 786 CA ALA A 50 14.259 1.400 11.462 1.00 0.00 C ATOM 787 C ALA A 50 14.688 0.218 10.599 1.00 0.00 C ATOM 788 O ALA A 50 13.914 -0.720 10.391 1.00 0.00 O ATOM 789 CB ALA A 50 14.271 1.003 12.928 1.00 0.00 C ATOM 0 H ALA A 50 12.247 1.822 11.841 1.00 0.00 H new ATOM 0 HA ALA A 50 14.968 2.212 11.298 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.265 0.650 13.201 1.00 0.00 H new ATOM 0 HB2 ALA A 50 14.011 1.866 13.541 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.545 0.208 13.095 1.00 0.00 H new ATOM 795 N PRO A 51 15.937 0.242 10.098 1.00 0.00 N ATOM 796 CA PRO A 51 16.487 -0.835 9.263 1.00 0.00 C ATOM 797 C PRO A 51 16.408 -2.199 9.950 1.00 0.00 C ATOM 798 O PRO A 51 16.373 -3.239 9.295 1.00 0.00 O ATOM 799 CB PRO A 51 17.948 -0.420 9.059 1.00 0.00 C ATOM 800 CG PRO A 51 17.958 1.057 9.257 1.00 0.00 C ATOM 801 CD PRO A 51 16.908 1.337 10.295 1.00 0.00 C ATOM 0 HA PRO A 51 15.932 -0.953 8.332 1.00 0.00 H new ATOM 0 HB2 PRO A 51 18.604 -0.919 9.773 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.299 -0.687 8.062 1.00 0.00 H new ATOM 0 HG2 PRO A 51 18.938 1.401 9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 51 17.736 1.578 8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 51 17.325 1.329 11.302 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.448 2.314 10.149 1.00 0.00 H new ATOM 809 N ALA A 52 16.360 -2.177 11.273 1.00 0.00 N ATOM 810 CA ALA A 52 16.262 -3.392 12.067 1.00 0.00 C ATOM 811 C ALA A 52 14.934 -4.111 11.833 1.00 0.00 C ATOM 812 O ALA A 52 14.853 -5.335 11.930 1.00 0.00 O ATOM 813 CB ALA A 52 16.419 -3.058 13.541 1.00 0.00 C ATOM 0 H ALA A 52 16.388 -1.320 11.825 1.00 0.00 H new ATOM 0 HA ALA A 52 17.063 -4.063 11.756 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.345 -3.972 14.131 1.00 0.00 H new ATOM 0 HB2 ALA A 52 17.392 -2.596 13.708 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.633 -2.366 13.843 1.00 0.00 H new ATOM 819 N GLN A 53 13.899 -3.351 11.504 1.00 0.00 N ATOM 820 CA GLN A 53 12.557 -3.905 11.394 1.00 0.00 C ATOM 821 C GLN A 53 11.920 -3.573 10.049 1.00 0.00 C ATOM 822 O GLN A 53 10.705 -3.691 9.886 1.00 0.00 O ATOM 823 CB GLN A 53 11.682 -3.380 12.534 1.00 0.00 C ATOM 824 CG GLN A 53 11.698 -1.865 12.661 1.00 0.00 C ATOM 825 CD GLN A 53 10.902 -1.367 13.850 1.00 0.00 C ATOM 826 OE1 GLN A 53 10.768 -2.056 14.860 1.00 0.00 O ATOM 827 NE2 GLN A 53 10.384 -0.156 13.742 1.00 0.00 N ATOM 0 H GLN A 53 13.962 -2.352 11.309 1.00 0.00 H new ATOM 0 HA GLN A 53 12.635 -4.990 11.465 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.656 -3.713 12.377 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.020 -3.819 13.473 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.729 -1.523 12.751 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.295 -1.424 11.749 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.519 0.382 12.886 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.849 0.241 14.515 1.00 0.00 H new ATOM 836 N ARG A 54 12.744 -3.187 9.079 1.00 0.00 N ATOM 837 CA ARG A 54 12.251 -2.857 7.741 1.00 0.00 C ATOM 838 C ARG A 54 11.508 -4.039 7.122 1.00 0.00 C ATOM 839 O ARG A 54 10.452 -3.873 6.515 1.00 0.00 O ATOM 840 CB ARG A 54 13.401 -2.419 6.826 1.00 0.00 C ATOM 841 CG ARG A 54 14.580 -3.376 6.831 1.00 0.00 C ATOM 842 CD ARG A 54 15.649 -2.972 5.829 1.00 0.00 C ATOM 843 NE ARG A 54 16.918 -3.650 6.095 1.00 0.00 N ATOM 844 CZ ARG A 54 17.191 -4.909 5.753 1.00 0.00 C ATOM 845 NH1 ARG A 54 16.338 -5.616 5.027 1.00 0.00 N ATOM 846 NH2 ARG A 54 18.348 -5.451 6.106 1.00 0.00 N ATOM 0 H ARG A 54 13.754 -3.095 9.192 1.00 0.00 H new ATOM 0 HA ARG A 54 11.553 -2.026 7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.027 -2.322 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.744 -1.432 7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.015 -3.410 7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.230 -4.382 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.312 -3.211 4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.797 -1.893 5.869 1.00 0.00 H new ATOM 0 HE ARG A 54 17.646 -3.122 6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.459 -5.198 4.722 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.560 -6.578 4.773 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.026 -4.905 6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.560 -6.414 5.846 1.00 0.00 H new ATOM 860 N GLN A 55 12.055 -5.237 7.292 1.00 0.00 N ATOM 861 CA GLN A 55 11.424 -6.439 6.765 1.00 0.00 C ATOM 862 C GLN A 55 10.273 -6.891 7.654 1.00 0.00 C ATOM 863 O GLN A 55 9.299 -7.462 7.168 1.00 0.00 O ATOM 864 CB GLN A 55 12.444 -7.565 6.606 1.00 0.00 C ATOM 865 CG GLN A 55 13.097 -7.605 5.233 1.00 0.00 C ATOM 866 CD GLN A 55 12.099 -7.896 4.125 1.00 0.00 C ATOM 867 OE1 GLN A 55 11.829 -9.053 3.804 1.00 0.00 O ATOM 868 NE2 GLN A 55 11.555 -6.849 3.523 1.00 0.00 N ATOM 0 H GLN A 55 12.931 -5.401 7.789 1.00 0.00 H new ATOM 0 HA GLN A 55 11.021 -6.195 5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.219 -7.452 7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.952 -8.519 6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.584 -6.650 5.038 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.876 -8.368 5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.804 -5.905 3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.887 -6.987 2.765 1.00 0.00 H new ATOM 877 N ALA A 56 10.383 -6.627 8.949 1.00 0.00 N ATOM 878 CA ALA A 56 9.329 -6.983 9.890 1.00 0.00 C ATOM 879 C ALA A 56 8.035 -6.265 9.527 1.00 0.00 C ATOM 880 O ALA A 56 6.973 -6.881 9.436 1.00 0.00 O ATOM 881 CB ALA A 56 9.750 -6.644 11.312 1.00 0.00 C ATOM 0 H ALA A 56 11.190 -6.168 9.372 1.00 0.00 H new ATOM 0 HA ALA A 56 9.156 -8.058 9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.952 -6.916 12.002 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.654 -7.198 11.566 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.947 -5.575 11.388 1.00 0.00 H new ATOM 887 N ILE A 57 8.142 -4.963 9.296 1.00 0.00 N ATOM 888 CA ILE A 57 6.996 -4.156 8.895 1.00 0.00 C ATOM 889 C ILE A 57 6.503 -4.568 7.507 1.00 0.00 C ATOM 890 O ILE A 57 5.303 -4.691 7.274 1.00 0.00 O ATOM 891 CB ILE A 57 7.349 -2.649 8.889 1.00 0.00 C ATOM 892 CG1 ILE A 57 7.803 -2.198 10.282 1.00 0.00 C ATOM 893 CG2 ILE A 57 6.168 -1.812 8.418 1.00 0.00 C ATOM 894 CD1 ILE A 57 6.770 -2.418 11.367 1.00 0.00 C ATOM 0 H ILE A 57 9.014 -4.441 9.380 1.00 0.00 H new ATOM 0 HA ILE A 57 6.204 -4.329 9.624 1.00 0.00 H new ATOM 0 HB ILE A 57 8.171 -2.499 8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.714 -2.735 10.548 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.056 -1.139 10.245 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.444 -0.758 8.424 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.892 -2.109 7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.321 -1.969 9.086 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.167 -2.074 12.322 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.865 -1.859 11.127 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.533 -3.480 11.434 1.00 0.00 H new ATOM 906 N ALA A 58 7.442 -4.802 6.600 1.00 0.00 N ATOM 907 CA ALA A 58 7.115 -5.175 5.230 1.00 0.00 C ATOM 908 C ALA A 58 6.303 -6.467 5.171 1.00 0.00 C ATOM 909 O ALA A 58 5.267 -6.529 4.507 1.00 0.00 O ATOM 910 CB ALA A 58 8.386 -5.314 4.408 1.00 0.00 C ATOM 0 H ALA A 58 8.442 -4.740 6.790 1.00 0.00 H new ATOM 0 HA ALA A 58 6.498 -4.381 4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.130 -5.593 3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.921 -4.364 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.020 -6.085 4.846 1.00 0.00 H new ATOM 916 N ASN A 59 6.767 -7.493 5.874 1.00 0.00 N ATOM 917 CA ASN A 59 6.107 -8.796 5.837 1.00 0.00 C ATOM 918 C ASN A 59 4.762 -8.759 6.555 1.00 0.00 C ATOM 919 O ASN A 59 3.782 -9.315 6.062 1.00 0.00 O ATOM 920 CB ASN A 59 6.996 -9.890 6.438 1.00 0.00 C ATOM 921 CG ASN A 59 8.115 -10.317 5.504 1.00 0.00 C ATOM 922 OD1 ASN A 59 7.940 -11.202 4.665 1.00 0.00 O ATOM 923 ND2 ASN A 59 9.275 -9.697 5.644 1.00 0.00 N ATOM 0 H ASN A 59 7.591 -7.451 6.473 1.00 0.00 H new ATOM 0 HA ASN A 59 5.930 -9.035 4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.426 -9.530 7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.382 -10.757 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.062 -9.947 5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.382 -8.969 6.350 1.00 0.00 H new ATOM 930 N SER A 60 4.706 -8.091 7.703 1.00 0.00 N ATOM 931 CA SER A 60 3.468 -8.014 8.470 1.00 0.00 C ATOM 932 C SER A 60 2.401 -7.234 7.702 1.00 0.00 C ATOM 933 O SER A 60 1.218 -7.582 7.736 1.00 0.00 O ATOM 934 CB SER A 60 3.721 -7.374 9.837 1.00 0.00 C ATOM 935 OG SER A 60 4.405 -6.142 9.705 1.00 0.00 O ATOM 0 H SER A 60 5.496 -7.599 8.120 1.00 0.00 H new ATOM 0 HA SER A 60 3.102 -9.029 8.627 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.772 -7.213 10.348 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.306 -8.053 10.457 1.00 0.00 H new ATOM 0 HG SER A 60 5.369 -6.292 9.793 1.00 0.00 H new ATOM 941 N PHE A 61 2.827 -6.187 7.000 1.00 0.00 N ATOM 942 CA PHE A 61 1.925 -5.403 6.168 1.00 0.00 C ATOM 943 C PHE A 61 1.396 -6.255 5.016 1.00 0.00 C ATOM 944 O PHE A 61 0.205 -6.232 4.711 1.00 0.00 O ATOM 945 CB PHE A 61 2.644 -4.164 5.628 1.00 0.00 C ATOM 946 CG PHE A 61 1.755 -3.226 4.859 1.00 0.00 C ATOM 947 CD1 PHE A 61 0.916 -2.348 5.527 1.00 0.00 C ATOM 948 CD2 PHE A 61 1.758 -3.223 3.473 1.00 0.00 C ATOM 949 CE1 PHE A 61 0.099 -1.483 4.827 1.00 0.00 C ATOM 950 CE2 PHE A 61 0.943 -2.359 2.767 1.00 0.00 C ATOM 951 CZ PHE A 61 0.111 -1.488 3.445 1.00 0.00 C ATOM 0 H PHE A 61 3.794 -5.863 6.992 1.00 0.00 H new ATOM 0 HA PHE A 61 1.081 -5.077 6.776 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.090 -3.623 6.463 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.462 -4.484 4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.901 -2.340 6.607 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.405 -3.904 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.549 -0.803 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.956 -2.364 1.687 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.528 -0.813 2.896 1.00 0.00 H new ATOM 961 N ALA A 62 2.293 -7.021 4.396 1.00 0.00 N ATOM 962 CA ALA A 62 1.920 -7.911 3.301 1.00 0.00 C ATOM 963 C ALA A 62 0.909 -8.951 3.775 1.00 0.00 C ATOM 964 O ALA A 62 -0.093 -9.208 3.106 1.00 0.00 O ATOM 965 CB ALA A 62 3.155 -8.592 2.725 1.00 0.00 C ATOM 0 H ALA A 62 3.284 -7.042 4.635 1.00 0.00 H new ATOM 0 HA ALA A 62 1.456 -7.314 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.859 -9.252 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.845 -7.837 2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.646 -9.175 3.504 1.00 0.00 H new ATOM 971 N ARG A 63 1.171 -9.531 4.943 1.00 0.00 N ATOM 972 CA ARG A 63 0.268 -10.512 5.535 1.00 0.00 C ATOM 973 C ARG A 63 -1.103 -9.900 5.800 1.00 0.00 C ATOM 974 O ARG A 63 -2.127 -10.542 5.590 1.00 0.00 O ATOM 975 CB ARG A 63 0.850 -11.066 6.837 1.00 0.00 C ATOM 976 CG ARG A 63 2.109 -11.895 6.644 1.00 0.00 C ATOM 977 CD ARG A 63 2.655 -12.389 7.972 1.00 0.00 C ATOM 978 NE ARG A 63 1.681 -13.210 8.696 1.00 0.00 N ATOM 979 CZ ARG A 63 2.007 -14.108 9.628 1.00 0.00 C ATOM 980 NH1 ARG A 63 3.276 -14.283 9.978 1.00 0.00 N ATOM 981 NH2 ARG A 63 1.052 -14.815 10.220 1.00 0.00 N ATOM 0 H ARG A 63 2.004 -9.338 5.499 1.00 0.00 H new ATOM 0 HA ARG A 63 0.153 -11.330 4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.073 -10.235 7.507 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.095 -11.679 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.891 -12.746 5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.866 -11.297 6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.560 -12.970 7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.938 -11.535 8.588 1.00 0.00 H new ATOM 0 HE ARG A 63 0.693 -13.088 8.474 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.009 -13.729 9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.518 -14.971 10.691 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.076 -14.670 9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.294 -15.503 10.933 1.00 0.00 H new ATOM 995 N ALA A 64 -1.113 -8.648 6.248 1.00 0.00 N ATOM 996 CA ALA A 64 -2.357 -7.938 6.516 1.00 0.00 C ATOM 997 C ALA A 64 -3.133 -7.698 5.226 1.00 0.00 C ATOM 998 O ALA A 64 -4.358 -7.815 5.196 1.00 0.00 O ATOM 999 CB ALA A 64 -2.072 -6.618 7.217 1.00 0.00 C ATOM 0 H ALA A 64 -0.270 -8.104 6.433 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.969 -8.557 7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.011 -6.099 7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.562 -6.810 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.439 -5.998 6.582 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.410 -7.378 4.162 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.016 -7.145 2.856 1.00 0.00 C ATOM 1007 C LEU A 65 -3.672 -8.422 2.332 1.00 0.00 C ATOM 1008 O LEU A 65 -4.815 -8.406 1.878 1.00 0.00 O ATOM 1009 CB LEU A 65 -1.955 -6.653 1.868 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.479 -6.247 0.487 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.393 -5.039 0.593 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.321 -5.958 -0.453 1.00 0.00 C ATOM 0 H LEU A 65 -1.396 -7.273 4.177 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.786 -6.381 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.442 -5.798 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.211 -7.439 1.739 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.057 -7.077 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.754 -4.768 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.241 -5.279 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.841 -4.202 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.709 -5.671 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.718 -5.145 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.704 -6.851 -0.555 1.00 0.00 H new ATOM 1024 N GLN A 66 -2.951 -9.533 2.427 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.460 -10.816 1.947 1.00 0.00 C ATOM 1026 C GLN A 66 -4.479 -11.401 2.928 1.00 0.00 C ATOM 1027 O GLN A 66 -5.135 -12.402 2.635 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.307 -11.801 1.733 1.00 0.00 C ATOM 1029 CG GLN A 66 -1.229 -11.286 0.790 1.00 0.00 C ATOM 1030 CD GLN A 66 -0.173 -12.329 0.483 1.00 0.00 C ATOM 1031 OE1 GLN A 66 0.810 -12.473 1.211 1.00 0.00 O ATOM 1032 NE2 GLN A 66 -0.351 -13.048 -0.616 1.00 0.00 N ATOM 0 H GLN A 66 -2.015 -9.574 2.830 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.960 -10.647 0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.854 -12.031 2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.707 -12.735 1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.692 -10.959 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.752 -10.412 1.233 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.178 -12.900 -1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.339 -13.749 -0.884 1.00 0.00 H new ATOM 1041 N SER A 67 -4.599 -10.783 4.094 1.00 0.00 N ATOM 1042 CA SER A 67 -5.580 -11.195 5.084 1.00 0.00 C ATOM 1043 C SER A 67 -6.900 -10.466 4.848 1.00 0.00 C ATOM 1044 O SER A 67 -7.980 -11.048 4.968 1.00 0.00 O ATOM 1045 CB SER A 67 -5.059 -10.907 6.498 1.00 0.00 C ATOM 1046 OG SER A 67 -5.947 -11.389 7.492 1.00 0.00 O ATOM 0 H SER A 67 -4.024 -9.989 4.378 1.00 0.00 H new ATOM 0 HA SER A 67 -5.749 -12.267 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.081 -11.371 6.627 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.921 -9.833 6.623 1.00 0.00 H new ATOM 0 HG SER A 67 -5.583 -11.190 8.380 1.00 0.00 H new ATOM 1052 N SER A 68 -6.801 -9.192 4.497 1.00 0.00 N ATOM 1053 CA SER A 68 -7.975 -8.368 4.267 1.00 0.00 C ATOM 1054 C SER A 68 -8.566 -8.629 2.884 1.00 0.00 C ATOM 1055 O SER A 68 -9.784 -8.708 2.726 1.00 0.00 O ATOM 1056 CB SER A 68 -7.609 -6.895 4.434 1.00 0.00 C ATOM 1057 OG SER A 68 -6.388 -6.602 3.778 1.00 0.00 O ATOM 0 H SER A 68 -5.914 -8.706 4.365 1.00 0.00 H new ATOM 0 HA SER A 68 -8.736 -8.629 5.002 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.404 -6.270 4.028 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.524 -6.655 5.494 1.00 0.00 H new ATOM 0 HG SER A 68 -5.638 -6.896 4.336 1.00 0.00 H new ATOM 1063 N ILE A 69 -7.702 -8.770 1.885 1.00 0.00 N ATOM 1064 CA ILE A 69 -8.153 -9.087 0.539 1.00 0.00 C ATOM 1065 C ILE A 69 -8.341 -10.593 0.384 1.00 0.00 C ATOM 1066 O ILE A 69 -7.382 -11.337 0.163 1.00 0.00 O ATOM 1067 CB ILE A 69 -7.175 -8.570 -0.541 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -7.012 -7.054 -0.419 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -7.670 -8.948 -1.934 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -6.085 -6.452 -1.454 1.00 0.00 C ATOM 0 H ILE A 69 -6.692 -8.670 1.982 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.107 -8.581 0.393 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.203 -9.038 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.992 -6.585 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.633 -6.818 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.970 -8.576 -2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.743 -10.033 -2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.651 -8.505 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.021 -5.375 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.093 -6.892 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.473 -6.655 -2.452 1.00 0.00 H new ATOM 1442 N SER B 8 6.483 8.412 -16.482 1.00 0.00 N ATOM 1443 CA SER B 8 6.452 9.870 -16.459 1.00 0.00 C ATOM 1444 C SER B 8 6.946 10.362 -15.103 1.00 0.00 C ATOM 1445 O SER B 8 6.193 10.372 -14.126 1.00 0.00 O ATOM 1446 CB SER B 8 5.033 10.382 -16.738 1.00 0.00 C ATOM 1447 OG SER B 8 4.088 9.764 -15.878 1.00 0.00 O ATOM 0 HA SER B 8 7.106 10.257 -17.240 1.00 0.00 H new ATOM 0 HB2 SER B 8 5.000 11.463 -16.602 1.00 0.00 H new ATOM 0 HB3 SER B 8 4.769 10.183 -17.777 1.00 0.00 H new ATOM 0 HG SER B 8 4.481 9.650 -14.988 1.00 0.00 H new ATOM 1453 N ASP B 9 8.214 10.748 -15.044 1.00 0.00 N ATOM 1454 CA ASP B 9 8.869 11.063 -13.777 1.00 0.00 C ATOM 1455 C ASP B 9 8.273 12.309 -13.140 1.00 0.00 C ATOM 1456 O ASP B 9 7.885 12.288 -11.972 1.00 0.00 O ATOM 1457 CB ASP B 9 10.375 11.259 -13.974 1.00 0.00 C ATOM 1458 CG ASP B 9 11.047 10.062 -14.610 1.00 0.00 C ATOM 1459 OD1 ASP B 9 11.271 9.057 -13.906 1.00 0.00 O ATOM 1460 OD2 ASP B 9 11.352 10.127 -15.818 1.00 0.00 O ATOM 0 H ASP B 9 8.814 10.851 -15.863 1.00 0.00 H new ATOM 0 HA ASP B 9 8.704 10.217 -13.110 1.00 0.00 H new ATOM 0 HB2 ASP B 9 10.543 12.137 -14.597 1.00 0.00 H new ATOM 0 HB3 ASP B 9 10.839 11.459 -13.008 1.00 0.00 H new ATOM 1465 N GLU B 10 8.196 13.391 -13.915 1.00 0.00 N ATOM 1466 CA GLU B 10 7.659 14.660 -13.422 1.00 0.00 C ATOM 1467 C GLU B 10 6.257 14.462 -12.860 1.00 0.00 C ATOM 1468 O GLU B 10 5.919 14.993 -11.806 1.00 0.00 O ATOM 1469 CB GLU B 10 7.608 15.724 -14.530 1.00 0.00 C ATOM 1470 CG GLU B 10 8.920 15.938 -15.268 1.00 0.00 C ATOM 1471 CD GLU B 10 9.207 14.840 -16.268 1.00 0.00 C ATOM 1472 OE1 GLU B 10 8.566 14.828 -17.336 1.00 0.00 O ATOM 1473 OE2 GLU B 10 10.056 13.972 -15.979 1.00 0.00 O ATOM 0 H GLU B 10 8.499 13.414 -14.889 1.00 0.00 H new ATOM 0 HA GLU B 10 8.329 15.008 -12.636 1.00 0.00 H new ATOM 0 HB2 GLU B 10 6.843 15.440 -15.252 1.00 0.00 H new ATOM 0 HB3 GLU B 10 7.295 16.671 -14.091 1.00 0.00 H new ATOM 0 HG2 GLU B 10 8.890 16.897 -15.785 1.00 0.00 H new ATOM 0 HG3 GLU B 10 9.735 15.990 -14.546 1.00 0.00 H new ATOM 1480 N GLN B 11 5.457 13.672 -13.568 1.00 0.00 N ATOM 1481 CA GLN B 11 4.082 13.403 -13.169 1.00 0.00 C ATOM 1482 C GLN B 11 4.038 12.715 -11.803 1.00 0.00 C ATOM 1483 O GLN B 11 3.291 13.124 -10.914 1.00 0.00 O ATOM 1484 CB GLN B 11 3.404 12.529 -14.225 1.00 0.00 C ATOM 1485 CG GLN B 11 1.939 12.242 -13.948 1.00 0.00 C ATOM 1486 CD GLN B 11 1.093 13.499 -13.924 1.00 0.00 C ATOM 1487 OE1 GLN B 11 0.894 14.110 -12.875 1.00 0.00 O ATOM 1488 NE2 GLN B 11 0.579 13.889 -15.079 1.00 0.00 N ATOM 0 H GLN B 11 5.741 13.204 -14.428 1.00 0.00 H new ATOM 0 HA GLN B 11 3.548 14.350 -13.088 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.490 13.018 -15.195 1.00 0.00 H new ATOM 0 HB3 GLN B 11 3.941 11.583 -14.297 1.00 0.00 H new ATOM 0 HG2 GLN B 11 1.555 11.565 -14.711 1.00 0.00 H new ATOM 0 HG3 GLN B 11 1.848 11.729 -12.991 1.00 0.00 H new ATOM 0 HE21 GLN B 11 0.767 13.355 -15.927 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -0.006 14.724 -15.121 1.00 0.00 H new ATOM 1497 N VAL B 12 4.856 11.682 -11.641 1.00 0.00 N ATOM 1498 CA VAL B 12 4.932 10.959 -10.377 1.00 0.00 C ATOM 1499 C VAL B 12 5.448 11.874 -9.267 1.00 0.00 C ATOM 1500 O VAL B 12 4.961 11.827 -8.136 1.00 0.00 O ATOM 1501 CB VAL B 12 5.844 9.714 -10.489 1.00 0.00 C ATOM 1502 CG1 VAL B 12 5.948 8.990 -9.154 1.00 0.00 C ATOM 1503 CG2 VAL B 12 5.327 8.768 -11.562 1.00 0.00 C ATOM 0 H VAL B 12 5.476 11.326 -12.369 1.00 0.00 H new ATOM 0 HA VAL B 12 3.924 10.625 -10.132 1.00 0.00 H new ATOM 0 HB VAL B 12 6.841 10.053 -10.771 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.595 8.119 -9.262 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.368 9.663 -8.407 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.956 8.668 -8.836 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.981 7.898 -11.626 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.318 8.445 -11.307 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.311 9.282 -12.523 1.00 0.00 H new ATOM 1513 N GLU B 13 6.421 12.714 -9.607 1.00 0.00 N ATOM 1514 CA GLU B 13 6.986 13.668 -8.660 1.00 0.00 C ATOM 1515 C GLU B 13 5.899 14.602 -8.130 1.00 0.00 C ATOM 1516 O GLU B 13 5.763 14.784 -6.917 1.00 0.00 O ATOM 1517 CB GLU B 13 8.102 14.478 -9.328 1.00 0.00 C ATOM 1518 CG GLU B 13 8.791 15.463 -8.398 1.00 0.00 C ATOM 1519 CD GLU B 13 9.885 16.249 -9.090 1.00 0.00 C ATOM 1520 OE1 GLU B 13 11.030 15.759 -9.151 1.00 0.00 O ATOM 1521 OE2 GLU B 13 9.608 17.363 -9.584 1.00 0.00 O ATOM 0 H GLU B 13 6.836 12.753 -10.538 1.00 0.00 H new ATOM 0 HA GLU B 13 7.407 13.116 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.847 13.790 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.685 15.024 -10.174 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.051 16.155 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.216 14.922 -7.553 1.00 0.00 H new ATOM 1528 N GLN B 14 5.118 15.170 -9.046 1.00 0.00 N ATOM 1529 CA GLN B 14 4.030 16.077 -8.687 1.00 0.00 C ATOM 1530 C GLN B 14 3.041 15.408 -7.738 1.00 0.00 C ATOM 1531 O GLN B 14 2.605 16.006 -6.751 1.00 0.00 O ATOM 1532 CB GLN B 14 3.285 16.541 -9.939 1.00 0.00 C ATOM 1533 CG GLN B 14 4.132 17.360 -10.898 1.00 0.00 C ATOM 1534 CD GLN B 14 3.348 17.809 -12.115 1.00 0.00 C ATOM 1535 OE1 GLN B 14 3.310 17.125 -13.140 1.00 0.00 O ATOM 1536 NE2 GLN B 14 2.713 18.963 -12.013 1.00 0.00 N ATOM 0 H GLN B 14 5.220 15.017 -10.049 1.00 0.00 H new ATOM 0 HA GLN B 14 4.474 16.936 -8.184 1.00 0.00 H new ATOM 0 HB2 GLN B 14 2.902 15.667 -10.466 1.00 0.00 H new ATOM 0 HB3 GLN B 14 2.422 17.134 -9.636 1.00 0.00 H new ATOM 0 HG2 GLN B 14 4.524 18.234 -10.378 1.00 0.00 H new ATOM 0 HG3 GLN B 14 4.990 16.768 -11.218 1.00 0.00 H new ATOM 0 HE21 GLN B 14 2.768 19.501 -11.148 1.00 0.00 H new ATOM 0 HE22 GLN B 14 2.167 19.316 -12.799 1.00 0.00 H new ATOM 1545 N LEU B 15 2.691 14.165 -8.046 1.00 0.00 N ATOM 1546 CA LEU B 15 1.722 13.423 -7.250 1.00 0.00 C ATOM 1547 C LEU B 15 2.280 13.072 -5.877 1.00 0.00 C ATOM 1548 O LEU B 15 1.616 13.280 -4.861 1.00 0.00 O ATOM 1549 CB LEU B 15 1.298 12.147 -7.980 1.00 0.00 C ATOM 1550 CG LEU B 15 0.488 12.372 -9.258 1.00 0.00 C ATOM 1551 CD1 LEU B 15 0.227 11.051 -9.963 1.00 0.00 C ATOM 1552 CD2 LEU B 15 -0.823 13.070 -8.936 1.00 0.00 C ATOM 0 H LEU B 15 3.065 13.649 -8.843 1.00 0.00 H new ATOM 0 HA LEU B 15 0.852 14.064 -7.109 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.192 11.575 -8.230 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.709 11.535 -7.297 1.00 0.00 H new ATOM 0 HG LEU B 15 1.066 13.010 -9.926 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.350 11.230 -10.870 1.00 0.00 H new ATOM 0 HD12 LEU B 15 1.177 10.584 -10.224 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.333 10.390 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.389 13.224 -9.855 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.405 12.454 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.617 14.034 -8.471 1.00 0.00 H new ATOM 1564 N LEU B 16 3.502 12.556 -5.849 1.00 0.00 N ATOM 1565 CA LEU B 16 4.124 12.126 -4.604 1.00 0.00 C ATOM 1566 C LEU B 16 4.289 13.314 -3.658 1.00 0.00 C ATOM 1567 O LEU B 16 3.932 13.233 -2.480 1.00 0.00 O ATOM 1568 CB LEU B 16 5.479 11.463 -4.898 1.00 0.00 C ATOM 1569 CG LEU B 16 6.076 10.609 -3.765 1.00 0.00 C ATOM 1570 CD1 LEU B 16 7.130 9.663 -4.321 1.00 0.00 C ATOM 1571 CD2 LEU B 16 6.692 11.478 -2.676 1.00 0.00 C ATOM 0 H LEU B 16 4.083 12.425 -6.677 1.00 0.00 H new ATOM 0 HA LEU B 16 3.481 11.393 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.368 10.833 -5.780 1.00 0.00 H new ATOM 0 HB3 LEU B 16 6.195 12.244 -5.152 1.00 0.00 H new ATOM 0 HG LEU B 16 5.264 10.032 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU B 16 7.545 9.064 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.674 9.005 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU B 16 7.926 10.241 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU B 16 7.104 10.842 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU B 16 7.488 12.088 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU B 16 5.926 12.127 -2.251 1.00 0.00 H new ATOM 1583 N ALA B 17 4.807 14.419 -4.185 1.00 0.00 N ATOM 1584 CA ALA B 17 5.021 15.623 -3.387 1.00 0.00 C ATOM 1585 C ALA B 17 3.702 16.160 -2.843 1.00 0.00 C ATOM 1586 O ALA B 17 3.644 16.688 -1.732 1.00 0.00 O ATOM 1587 CB ALA B 17 5.727 16.688 -4.215 1.00 0.00 C ATOM 0 H ALA B 17 5.087 14.506 -5.162 1.00 0.00 H new ATOM 0 HA ALA B 17 5.654 15.361 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.880 17.580 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.692 16.308 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA B 17 5.115 16.940 -5.081 1.00 0.00 H new ATOM 1593 N GLU B 18 2.644 16.014 -3.628 1.00 0.00 N ATOM 1594 CA GLU B 18 1.323 16.476 -3.225 1.00 0.00 C ATOM 1595 C GLU B 18 0.774 15.599 -2.101 1.00 0.00 C ATOM 1596 O GLU B 18 0.440 16.095 -1.026 1.00 0.00 O ATOM 1597 CB GLU B 18 0.367 16.459 -4.421 1.00 0.00 C ATOM 1598 CG GLU B 18 -0.971 17.130 -4.153 1.00 0.00 C ATOM 1599 CD GLU B 18 -0.843 18.620 -3.911 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -0.591 19.366 -4.884 1.00 0.00 O ATOM 1601 OE2 GLU B 18 -1.013 19.058 -2.757 1.00 0.00 O ATOM 0 H GLU B 18 2.675 15.578 -4.550 1.00 0.00 H new ATOM 0 HA GLU B 18 1.410 17.499 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.848 16.955 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.190 15.425 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.634 16.960 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -1.438 16.664 -3.285 1.00 0.00 H new ATOM 1608 N LEU B 19 0.717 14.294 -2.353 1.00 0.00 N ATOM 1609 CA LEU B 19 0.175 13.336 -1.388 1.00 0.00 C ATOM 1610 C LEU B 19 0.935 13.392 -0.064 1.00 0.00 C ATOM 1611 O LEU B 19 0.336 13.342 1.011 1.00 0.00 O ATOM 1612 CB LEU B 19 0.231 11.915 -1.961 1.00 0.00 C ATOM 1613 CG LEU B 19 -0.606 11.683 -3.222 1.00 0.00 C ATOM 1614 CD1 LEU B 19 -0.406 10.268 -3.736 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -2.079 11.940 -2.939 1.00 0.00 C ATOM 0 H LEU B 19 1.041 13.872 -3.223 1.00 0.00 H new ATOM 0 HA LEU B 19 -0.863 13.607 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.270 11.672 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -0.101 11.218 -1.192 1.00 0.00 H new ATOM 0 HG LEU B 19 -0.275 12.382 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -1.007 10.118 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU B 19 0.646 10.113 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.713 9.556 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.659 11.770 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.423 11.263 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.212 12.971 -2.611 1.00 0.00 H new ATOM 1627 N LEU B 20 2.255 13.504 -0.151 1.00 0.00 N ATOM 1628 CA LEU B 20 3.093 13.577 1.038 1.00 0.00 C ATOM 1629 C LEU B 20 2.762 14.827 1.846 1.00 0.00 C ATOM 1630 O LEU B 20 2.678 14.778 3.074 1.00 0.00 O ATOM 1631 CB LEU B 20 4.574 13.573 0.647 1.00 0.00 C ATOM 1632 CG LEU B 20 5.560 13.576 1.818 1.00 0.00 C ATOM 1633 CD1 LEU B 20 5.375 12.335 2.680 1.00 0.00 C ATOM 1634 CD2 LEU B 20 6.988 13.663 1.306 1.00 0.00 C ATOM 0 H LEU B 20 2.767 13.546 -1.032 1.00 0.00 H new ATOM 0 HA LEU B 20 2.894 12.702 1.656 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.768 12.694 0.032 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.771 14.446 0.025 1.00 0.00 H new ATOM 0 HG LEU B 20 5.359 14.452 2.435 1.00 0.00 H new ATOM 0 HD11 LEU B 20 6.085 12.357 3.506 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.359 12.314 3.075 1.00 0.00 H new ATOM 0 HD13 LEU B 20 5.548 11.444 2.077 1.00 0.00 H new ATOM 0 HD21 LEU B 20 7.678 13.664 2.150 1.00 0.00 H new ATOM 0 HD22 LEU B 20 7.198 12.805 0.667 1.00 0.00 H new ATOM 0 HD23 LEU B 20 7.114 14.582 0.733 1.00 0.00 H new ATOM 1646 N ASN B 21 2.545 15.938 1.149 1.00 0.00 N ATOM 1647 CA ASN B 21 2.211 17.197 1.806 1.00 0.00 C ATOM 1648 C ASN B 21 0.837 17.124 2.462 1.00 0.00 C ATOM 1649 O ASN B 21 0.619 17.713 3.515 1.00 0.00 O ATOM 1650 CB ASN B 21 2.262 18.360 0.810 1.00 0.00 C ATOM 1651 CG ASN B 21 1.787 19.669 1.415 1.00 0.00 C ATOM 1652 OD1 ASN B 21 0.614 20.029 1.306 1.00 0.00 O ATOM 1653 ND2 ASN B 21 2.691 20.383 2.065 1.00 0.00 N ATOM 0 H ASN B 21 2.594 15.992 0.132 1.00 0.00 H new ATOM 0 HA ASN B 21 2.953 17.373 2.584 1.00 0.00 H new ATOM 0 HB2 ASN B 21 3.284 18.480 0.450 1.00 0.00 H new ATOM 0 HB3 ASN B 21 1.645 18.119 -0.056 1.00 0.00 H new ATOM 0 HD21 ASN B 21 2.427 21.267 2.499 1.00 0.00 H new ATOM 0 HD22 ASN B 21 3.652 20.049 2.132 1.00 0.00 H new ATOM 1660 N VAL B 22 -0.085 16.392 1.845 1.00 0.00 N ATOM 1661 CA VAL B 22 -1.422 16.211 2.408 1.00 0.00 C ATOM 1662 C VAL B 22 -1.343 15.539 3.780 1.00 0.00 C ATOM 1663 O VAL B 22 -2.031 15.937 4.724 1.00 0.00 O ATOM 1664 CB VAL B 22 -2.326 15.375 1.475 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -3.691 15.135 2.106 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.481 16.058 0.124 1.00 0.00 C ATOM 0 H VAL B 22 0.067 15.915 0.957 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.863 17.202 2.515 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.846 14.408 1.323 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.307 14.544 1.428 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.568 14.597 3.046 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -4.177 16.092 2.297 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.121 15.453 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -2.931 17.041 0.263 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.502 16.170 -0.342 1.00 0.00 H new ATOM 1676 N LEU B 23 -0.486 14.533 3.889 1.00 0.00 N ATOM 1677 CA LEU B 23 -0.301 13.824 5.148 1.00 0.00 C ATOM 1678 C LEU B 23 0.460 14.705 6.138 1.00 0.00 C ATOM 1679 O LEU B 23 0.066 14.839 7.300 1.00 0.00 O ATOM 1680 CB LEU B 23 0.439 12.498 4.902 1.00 0.00 C ATOM 1681 CG LEU B 23 0.401 11.481 6.052 1.00 0.00 C ATOM 1682 CD1 LEU B 23 0.681 10.085 5.523 1.00 0.00 C ATOM 1683 CD2 LEU B 23 1.414 11.832 7.133 1.00 0.00 C ATOM 0 H LEU B 23 0.092 14.190 3.122 1.00 0.00 H new ATOM 0 HA LEU B 23 -1.276 13.594 5.579 1.00 0.00 H new ATOM 0 HB2 LEU B 23 0.016 12.028 4.014 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.482 12.723 4.677 1.00 0.00 H new ATOM 0 HG LEU B 23 -0.595 11.511 6.493 1.00 0.00 H new ATOM 0 HD11 LEU B 23 0.652 9.371 6.346 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -0.074 9.818 4.784 1.00 0.00 H new ATOM 0 HD13 LEU B 23 1.667 10.063 5.058 1.00 0.00 H new ATOM 0 HD21 LEU B 23 1.363 11.094 7.933 1.00 0.00 H new ATOM 0 HD22 LEU B 23 2.417 11.835 6.705 1.00 0.00 H new ATOM 0 HD23 LEU B 23 1.189 12.820 7.536 1.00 0.00 H new ATOM 1695 N GLU B 24 1.534 15.330 5.658 1.00 0.00 N ATOM 1696 CA GLU B 24 2.382 16.185 6.488 1.00 0.00 C ATOM 1697 C GLU B 24 1.599 17.406 6.977 1.00 0.00 C ATOM 1698 O GLU B 24 1.906 17.984 8.018 1.00 0.00 O ATOM 1699 CB GLU B 24 3.623 16.600 5.682 1.00 0.00 C ATOM 1700 CG GLU B 24 4.772 17.154 6.515 1.00 0.00 C ATOM 1701 CD GLU B 24 4.696 18.653 6.735 1.00 0.00 C ATOM 1702 OE1 GLU B 24 3.944 19.331 6.004 1.00 0.00 O ATOM 1703 OE2 GLU B 24 5.417 19.162 7.619 1.00 0.00 O ATOM 0 H GLU B 24 1.840 15.259 4.688 1.00 0.00 H new ATOM 0 HA GLU B 24 2.706 15.633 7.370 1.00 0.00 H new ATOM 0 HB2 GLU B 24 3.982 15.735 5.124 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.328 17.352 4.950 1.00 0.00 H new ATOM 0 HG2 GLU B 24 4.782 16.653 7.483 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.715 16.915 6.023 1.00 0.00 H new ATOM 1710 N LYS B 25 0.565 17.766 6.230 1.00 0.00 N ATOM 1711 CA LYS B 25 -0.306 18.880 6.581 1.00 0.00 C ATOM 1712 C LYS B 25 -1.000 18.628 7.921 1.00 0.00 C ATOM 1713 O LYS B 25 -1.364 19.565 8.630 1.00 0.00 O ATOM 1714 CB LYS B 25 -1.344 19.078 5.474 1.00 0.00 C ATOM 1715 CG LYS B 25 -2.066 20.413 5.518 1.00 0.00 C ATOM 1716 CD LYS B 25 -2.954 20.602 4.294 1.00 0.00 C ATOM 1717 CE LYS B 25 -2.163 20.445 3.000 1.00 0.00 C ATOM 1718 NZ LYS B 25 -2.998 20.707 1.797 1.00 0.00 N ATOM 0 H LYS B 25 0.306 17.294 5.363 1.00 0.00 H new ATOM 0 HA LYS B 25 0.297 19.783 6.681 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.849 18.979 4.508 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -2.082 18.278 5.538 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -2.672 20.472 6.422 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -1.337 21.222 5.570 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -3.765 19.875 4.316 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -3.411 21.591 4.324 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -1.316 21.130 3.009 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -1.756 19.435 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -2.420 20.589 0.941 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -3.793 20.037 1.773 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -3.366 21.679 1.835 1.00 0.00 H new ATOM 1732 N HIS B 26 -1.178 17.357 8.264 1.00 0.00 N ATOM 1733 CA HIS B 26 -1.793 16.988 9.535 1.00 0.00 C ATOM 1734 C HIS B 26 -0.741 16.434 10.493 1.00 0.00 C ATOM 1735 O HIS B 26 -0.834 16.626 11.704 1.00 0.00 O ATOM 1736 CB HIS B 26 -2.903 15.949 9.327 1.00 0.00 C ATOM 1737 CG HIS B 26 -4.098 16.469 8.581 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -4.242 16.830 7.282 1.00 0.00 N flip ATOM 1739 CD2 HIS B 26 -5.336 16.654 9.164 1.00 0.00 C flip ATOM 1740 CE1 HIS B 26 -5.545 17.220 7.111 1.00 0.00 C flip ATOM 1741 NE2 HIS B 26 -6.185 17.106 8.258 1.00 0.00 N flip ATOM 0 H HIS B 26 -0.906 16.565 7.681 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.235 17.886 9.967 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.492 15.098 8.785 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -3.228 15.580 10.300 1.00 0.00 H new ATOM 0 HD1 HIS B 26 -3.516 16.814 6.566 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -5.573 16.459 10.199 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -5.978 17.566 6.184 1.00 0.00 H new ATOM 1750 N LYS B 27 0.256 15.754 9.923 1.00 0.00 N ATOM 1751 CA LYS B 27 1.339 15.126 10.678 1.00 0.00 C ATOM 1752 C LYS B 27 0.840 13.956 11.510 1.00 0.00 C ATOM 1753 O LYS B 27 0.148 14.121 12.514 1.00 0.00 O ATOM 1754 CB LYS B 27 2.099 16.130 11.549 1.00 0.00 C ATOM 1755 CG LYS B 27 2.903 17.120 10.732 1.00 0.00 C ATOM 1756 CD LYS B 27 3.922 17.863 11.571 1.00 0.00 C ATOM 1757 CE LYS B 27 4.761 18.779 10.696 1.00 0.00 C ATOM 1758 NZ LYS B 27 5.876 19.417 11.443 1.00 0.00 N ATOM 0 H LYS B 27 0.334 15.623 8.914 1.00 0.00 H new ATOM 0 HA LYS B 27 2.043 14.738 9.941 1.00 0.00 H new ATOM 0 HB2 LYS B 27 1.390 16.672 12.175 1.00 0.00 H new ATOM 0 HB3 LYS B 27 2.768 15.590 12.219 1.00 0.00 H new ATOM 0 HG2 LYS B 27 3.414 16.593 9.926 1.00 0.00 H new ATOM 0 HG3 LYS B 27 2.227 17.837 10.266 1.00 0.00 H new ATOM 0 HD2 LYS B 27 3.414 18.447 12.338 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.567 17.151 12.087 1.00 0.00 H new ATOM 0 HE2 LYS B 27 5.167 18.207 9.862 1.00 0.00 H new ATOM 0 HE3 LYS B 27 4.123 19.554 10.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 6.417 20.031 10.801 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 5.490 19.986 12.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 6.502 18.681 11.828 1.00 0.00 H new ATOM 1772 N ALA B 28 1.192 12.768 11.058 1.00 0.00 N ATOM 1773 CA ALA B 28 0.843 11.544 11.748 1.00 0.00 C ATOM 1774 C ALA B 28 2.059 10.632 11.814 1.00 0.00 C ATOM 1775 O ALA B 28 2.896 10.651 10.909 1.00 0.00 O ATOM 1776 CB ALA B 28 -0.313 10.853 11.036 1.00 0.00 C ATOM 0 H ALA B 28 1.728 12.625 10.202 1.00 0.00 H new ATOM 0 HA ALA B 28 0.525 11.778 12.764 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.568 9.933 11.563 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.179 11.515 11.022 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.021 10.616 10.013 1.00 0.00 H new ATOM 1782 N PRO B 29 2.192 9.843 12.890 1.00 0.00 N ATOM 1783 CA PRO B 29 3.289 8.878 13.025 1.00 0.00 C ATOM 1784 C PRO B 29 3.227 7.801 11.946 1.00 0.00 C ATOM 1785 O PRO B 29 2.169 7.566 11.355 1.00 0.00 O ATOM 1786 CB PRO B 29 3.065 8.264 14.412 1.00 0.00 C ATOM 1787 CG PRO B 29 1.631 8.523 14.724 1.00 0.00 C ATOM 1788 CD PRO B 29 1.299 9.829 14.062 1.00 0.00 C ATOM 0 HA PRO B 29 4.267 9.347 12.915 1.00 0.00 H new ATOM 0 HB2 PRO B 29 3.281 7.196 14.410 1.00 0.00 H new ATOM 0 HB3 PRO B 29 3.719 8.720 15.155 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.997 7.721 14.346 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.468 8.578 15.800 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.250 9.879 13.771 1.00 0.00 H new ATOM 0 HD3 PRO B 29 1.487 10.676 14.723 1.00 0.00 H new ATOM 1796 N THR B 30 4.356 7.145 11.699 1.00 0.00 N ATOM 1797 CA THR B 30 4.439 6.114 10.672 1.00 0.00 C ATOM 1798 C THR B 30 3.417 5.007 10.931 1.00 0.00 C ATOM 1799 O THR B 30 2.801 4.490 10.000 1.00 0.00 O ATOM 1800 CB THR B 30 5.850 5.501 10.613 1.00 0.00 C ATOM 1801 OG1 THR B 30 6.833 6.542 10.557 1.00 0.00 O ATOM 1802 CG2 THR B 30 5.998 4.599 9.395 1.00 0.00 C ATOM 0 H THR B 30 5.230 7.310 12.199 1.00 0.00 H new ATOM 0 HA THR B 30 4.220 6.589 9.716 1.00 0.00 H new ATOM 0 HB THR B 30 6.000 4.903 11.512 1.00 0.00 H new ATOM 0 HG1 THR B 30 7.341 6.468 9.722 1.00 0.00 H new ATOM 0 HG21 THR B 30 7.003 4.177 9.374 1.00 0.00 H new ATOM 0 HG22 THR B 30 5.267 3.792 9.449 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.830 5.181 8.489 1.00 0.00 H new ATOM 1810 N ASP B 31 3.231 4.672 12.202 1.00 0.00 N ATOM 1811 CA ASP B 31 2.246 3.674 12.610 1.00 0.00 C ATOM 1812 C ASP B 31 0.861 4.023 12.074 1.00 0.00 C ATOM 1813 O ASP B 31 0.195 3.196 11.447 1.00 0.00 O ATOM 1814 CB ASP B 31 2.204 3.586 14.136 1.00 0.00 C ATOM 1815 CG ASP B 31 1.153 2.620 14.642 1.00 0.00 C ATOM 1816 OD1 ASP B 31 1.445 1.409 14.724 1.00 0.00 O ATOM 1817 OD2 ASP B 31 0.042 3.070 14.984 1.00 0.00 O ATOM 0 H ASP B 31 3.755 5.081 12.976 1.00 0.00 H new ATOM 0 HA ASP B 31 2.540 2.710 12.196 1.00 0.00 H new ATOM 0 HB2 ASP B 31 3.182 3.276 14.504 1.00 0.00 H new ATOM 0 HB3 ASP B 31 2.008 4.576 14.547 1.00 0.00 H new ATOM 1822 N LEU B 32 0.448 5.264 12.298 1.00 0.00 N ATOM 1823 CA LEU B 32 -0.860 5.725 11.856 1.00 0.00 C ATOM 1824 C LEU B 32 -0.884 5.890 10.341 1.00 0.00 C ATOM 1825 O LEU B 32 -1.908 5.662 9.701 1.00 0.00 O ATOM 1826 CB LEU B 32 -1.215 7.047 12.540 1.00 0.00 C ATOM 1827 CG LEU B 32 -2.613 7.590 12.232 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -3.680 6.592 12.652 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -2.828 8.925 12.928 1.00 0.00 C ATOM 0 H LEU B 32 1.002 5.970 12.784 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.603 4.977 12.134 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.124 6.915 13.618 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -0.480 7.797 12.248 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.693 7.743 11.156 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -4.666 6.997 12.425 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.538 5.657 12.110 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.602 6.406 13.723 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.826 9.298 12.699 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.728 8.794 14.005 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.084 9.641 12.579 1.00 0.00 H new ATOM 1841 N SER B 33 0.249 6.283 9.772 1.00 0.00 N ATOM 1842 CA SER B 33 0.366 6.426 8.329 1.00 0.00 C ATOM 1843 C SER B 33 0.115 5.087 7.639 1.00 0.00 C ATOM 1844 O SER B 33 -0.596 5.018 6.637 1.00 0.00 O ATOM 1845 CB SER B 33 1.751 6.965 7.958 1.00 0.00 C ATOM 1846 OG SER B 33 1.868 7.167 6.559 1.00 0.00 O ATOM 0 H SER B 33 1.099 6.508 10.289 1.00 0.00 H new ATOM 0 HA SER B 33 -0.387 7.137 7.989 1.00 0.00 H new ATOM 0 HB2 SER B 33 1.929 7.905 8.479 1.00 0.00 H new ATOM 0 HB3 SER B 33 2.517 6.265 8.292 1.00 0.00 H new ATOM 0 HG SER B 33 2.761 7.513 6.352 1.00 0.00 H new ATOM 1852 N LEU B 34 0.694 4.025 8.189 1.00 0.00 N ATOM 1853 CA LEU B 34 0.508 2.683 7.649 1.00 0.00 C ATOM 1854 C LEU B 34 -0.937 2.232 7.824 1.00 0.00 C ATOM 1855 O LEU B 34 -1.469 1.496 6.995 1.00 0.00 O ATOM 1856 CB LEU B 34 1.454 1.696 8.333 1.00 0.00 C ATOM 1857 CG LEU B 34 2.945 1.964 8.109 1.00 0.00 C ATOM 1858 CD1 LEU B 34 3.791 0.984 8.907 1.00 0.00 C ATOM 1859 CD2 LEU B 34 3.286 1.877 6.627 1.00 0.00 C ATOM 0 H LEU B 34 1.297 4.068 9.010 1.00 0.00 H new ATOM 0 HA LEU B 34 0.739 2.708 6.584 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.255 1.709 9.405 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.224 0.691 7.979 1.00 0.00 H new ATOM 0 HG LEU B 34 3.168 2.973 8.457 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.847 1.191 8.735 1.00 0.00 H new ATOM 0 HD12 LEU B 34 3.569 1.092 9.969 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.564 -0.034 8.591 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.349 2.070 6.486 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.046 0.880 6.256 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.707 2.618 6.076 1.00 0.00 H new ATOM 1871 N MET B 35 -1.562 2.683 8.904 1.00 0.00 N ATOM 1872 CA MET B 35 -2.967 2.384 9.164 1.00 0.00 C ATOM 1873 C MET B 35 -3.845 3.000 8.073 1.00 0.00 C ATOM 1874 O MET B 35 -4.675 2.315 7.471 1.00 0.00 O ATOM 1875 CB MET B 35 -3.358 2.910 10.554 1.00 0.00 C ATOM 1876 CG MET B 35 -4.763 2.536 11.018 1.00 0.00 C ATOM 1877 SD MET B 35 -6.062 3.518 10.239 1.00 0.00 S ATOM 1878 CE MET B 35 -7.499 2.994 11.173 1.00 0.00 C ATOM 0 H MET B 35 -1.117 3.260 9.618 1.00 0.00 H new ATOM 0 HA MET B 35 -3.119 1.305 9.149 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.640 2.534 11.283 1.00 0.00 H new ATOM 0 HB3 MET B 35 -3.270 3.996 10.552 1.00 0.00 H new ATOM 0 HG2 MET B 35 -4.939 1.481 10.806 1.00 0.00 H new ATOM 0 HG3 MET B 35 -4.825 2.658 12.099 1.00 0.00 H new ATOM 0 HE1 MET B 35 -8.382 3.516 10.805 1.00 0.00 H new ATOM 0 HE2 MET B 35 -7.638 1.919 11.055 1.00 0.00 H new ATOM 0 HE3 MET B 35 -7.352 3.227 12.228 1.00 0.00 H new ATOM 1888 N VAL B 36 -3.631 4.287 7.804 1.00 0.00 N ATOM 1889 CA VAL B 36 -4.390 5.004 6.781 1.00 0.00 C ATOM 1890 C VAL B 36 -4.149 4.397 5.401 1.00 0.00 C ATOM 1891 O VAL B 36 -5.094 4.037 4.696 1.00 0.00 O ATOM 1892 CB VAL B 36 -4.018 6.505 6.737 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -4.859 7.245 5.704 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -4.180 7.141 8.109 1.00 0.00 C ATOM 0 H VAL B 36 -2.934 4.857 8.283 1.00 0.00 H new ATOM 0 HA VAL B 36 -5.443 4.910 7.048 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.971 6.582 6.443 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -4.578 8.298 5.693 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.687 6.813 4.718 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -5.914 7.154 5.961 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -3.913 8.196 8.055 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -5.216 7.045 8.435 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -3.527 6.638 8.823 1.00 0.00 H new ATOM 1904 N LEU B 37 -2.878 4.272 5.031 1.00 0.00 N ATOM 1905 CA LEU B 37 -2.505 3.758 3.717 1.00 0.00 C ATOM 1906 C LEU B 37 -2.966 2.318 3.535 1.00 0.00 C ATOM 1907 O LEU B 37 -3.397 1.935 2.452 1.00 0.00 O ATOM 1908 CB LEU B 37 -0.991 3.852 3.516 1.00 0.00 C ATOM 1909 CG LEU B 37 -0.416 5.271 3.515 1.00 0.00 C ATOM 1910 CD1 LEU B 37 1.100 5.230 3.400 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -1.012 6.089 2.379 1.00 0.00 C ATOM 0 H LEU B 37 -2.087 4.520 5.625 1.00 0.00 H new ATOM 0 HA LEU B 37 -3.003 4.372 2.967 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.501 3.280 4.304 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.737 3.374 2.570 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.680 5.749 4.459 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.493 6.247 3.401 1.00 0.00 H new ATOM 0 HD12 LEU B 37 1.514 4.680 4.245 1.00 0.00 H new ATOM 0 HD13 LEU B 37 1.381 4.733 2.471 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.591 7.094 2.395 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.779 5.613 1.427 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.094 6.147 2.501 1.00 0.00 H new ATOM 1923 N GLY B 38 -2.883 1.532 4.602 1.00 0.00 N ATOM 1924 CA GLY B 38 -3.306 0.146 4.542 1.00 0.00 C ATOM 1925 C GLY B 38 -4.756 0.009 4.133 1.00 0.00 C ATOM 1926 O GLY B 38 -5.077 -0.711 3.185 1.00 0.00 O ATOM 0 H GLY B 38 -2.529 1.831 5.511 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.678 -0.394 3.833 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -3.159 -0.319 5.517 1.00 0.00 H new ATOM 1930 N ASN B 39 -5.632 0.715 4.836 1.00 0.00 N ATOM 1931 CA ASN B 39 -7.058 0.681 4.537 1.00 0.00 C ATOM 1932 C ASN B 39 -7.334 1.271 3.160 1.00 0.00 C ATOM 1933 O ASN B 39 -8.189 0.781 2.420 1.00 0.00 O ATOM 1934 CB ASN B 39 -7.851 1.445 5.601 1.00 0.00 C ATOM 1935 CG ASN B 39 -7.835 0.749 6.950 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -7.793 -0.478 7.031 1.00 0.00 O ATOM 1937 ND2 ASN B 39 -7.857 1.527 8.019 1.00 0.00 N ATOM 0 H ASN B 39 -5.380 1.319 5.618 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.378 -0.361 4.542 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.437 2.447 5.708 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.882 1.560 5.268 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -7.839 1.113 8.951 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -7.892 2.541 7.911 1.00 0.00 H new ATOM 1944 N MET B 40 -6.588 2.320 2.820 1.00 0.00 N ATOM 1945 CA MET B 40 -6.725 2.983 1.528 1.00 0.00 C ATOM 1946 C MET B 40 -6.401 2.027 0.382 1.00 0.00 C ATOM 1947 O MET B 40 -7.240 1.783 -0.488 1.00 0.00 O ATOM 1948 CB MET B 40 -5.803 4.204 1.460 1.00 0.00 C ATOM 1949 CG MET B 40 -5.848 4.932 0.125 1.00 0.00 C ATOM 1950 SD MET B 40 -4.703 6.322 0.052 1.00 0.00 S ATOM 1951 CE MET B 40 -4.980 6.891 -1.623 1.00 0.00 C ATOM 0 H MET B 40 -5.878 2.730 3.427 1.00 0.00 H new ATOM 0 HA MET B 40 -7.761 3.306 1.424 1.00 0.00 H new ATOM 0 HB2 MET B 40 -6.078 4.900 2.253 1.00 0.00 H new ATOM 0 HB3 MET B 40 -4.779 3.886 1.656 1.00 0.00 H new ATOM 0 HG2 MET B 40 -5.613 4.230 -0.675 1.00 0.00 H new ATOM 0 HG3 MET B 40 -6.861 5.291 -0.054 1.00 0.00 H new ATOM 0 HE1 MET B 40 -4.193 7.591 -1.904 1.00 0.00 H new ATOM 0 HE2 MET B 40 -4.968 6.039 -2.303 1.00 0.00 H new ATOM 0 HE3 MET B 40 -5.948 7.389 -1.683 1.00 0.00 H new ATOM 1961 N VAL B 41 -5.187 1.482 0.394 1.00 0.00 N ATOM 1962 CA VAL B 41 -4.723 0.607 -0.681 1.00 0.00 C ATOM 1963 C VAL B 41 -5.593 -0.641 -0.788 1.00 0.00 C ATOM 1964 O VAL B 41 -5.996 -1.027 -1.887 1.00 0.00 O ATOM 1965 CB VAL B 41 -3.245 0.196 -0.481 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -2.791 -0.770 -1.566 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -2.350 1.425 -0.462 1.00 0.00 C ATOM 0 H VAL B 41 -4.505 1.631 1.138 1.00 0.00 H new ATOM 0 HA VAL B 41 -4.802 1.174 -1.609 1.00 0.00 H new ATOM 0 HB VAL B 41 -3.166 -0.313 0.480 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -1.748 -1.041 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.409 -1.668 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -2.890 -0.294 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -1.314 1.118 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -2.445 1.959 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -2.649 2.080 0.356 1.00 0.00 H new ATOM 1977 N THR B 42 -5.900 -1.249 0.354 1.00 0.00 N ATOM 1978 CA THR B 42 -6.723 -2.453 0.381 1.00 0.00 C ATOM 1979 C THR B 42 -8.078 -2.207 -0.277 1.00 0.00 C ATOM 1980 O THR B 42 -8.495 -2.959 -1.158 1.00 0.00 O ATOM 1981 CB THR B 42 -6.940 -2.950 1.826 1.00 0.00 C ATOM 1982 OG1 THR B 42 -5.672 -3.182 2.453 1.00 0.00 O ATOM 1983 CG2 THR B 42 -7.762 -4.232 1.849 1.00 0.00 C ATOM 0 H THR B 42 -5.592 -0.928 1.272 1.00 0.00 H new ATOM 0 HA THR B 42 -6.188 -3.219 -0.180 1.00 0.00 H new ATOM 0 HB THR B 42 -7.487 -2.181 2.372 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.296 -2.329 2.756 1.00 0.00 H new ATOM 0 HG21 THR B 42 -7.899 -4.558 2.880 1.00 0.00 H new ATOM 0 HG22 THR B 42 -8.736 -4.048 1.395 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.241 -5.008 1.289 1.00 0.00 H new ATOM 1991 N ASN B 43 -8.752 -1.138 0.132 1.00 0.00 N ATOM 1992 CA ASN B 43 -10.071 -0.827 -0.407 1.00 0.00 C ATOM 1993 C ASN B 43 -9.967 -0.408 -1.871 1.00 0.00 C ATOM 1994 O ASN B 43 -10.860 -0.690 -2.668 1.00 0.00 O ATOM 1995 CB ASN B 43 -10.753 0.270 0.416 1.00 0.00 C ATOM 1996 CG ASN B 43 -12.180 0.539 -0.033 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -13.120 -0.123 0.409 1.00 0.00 O ATOM 1998 ND2 ASN B 43 -12.355 1.524 -0.900 1.00 0.00 N ATOM 0 H ASN B 43 -8.410 -0.477 0.829 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.682 -1.728 -0.346 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -10.756 -0.019 1.467 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -10.173 1.190 0.339 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -13.294 1.757 -1.224 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -11.551 2.050 -1.243 1.00 0.00 H new ATOM 2005 N LEU B 44 -8.869 0.259 -2.219 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.630 0.685 -3.596 1.00 0.00 C ATOM 2007 C LEU B 44 -8.559 -0.523 -4.527 1.00 0.00 C ATOM 2008 O LEU B 44 -9.281 -0.594 -5.519 1.00 0.00 O ATOM 2009 CB LEU B 44 -7.335 1.496 -3.692 1.00 0.00 C ATOM 2010 CG LEU B 44 -7.007 2.045 -5.085 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -8.083 3.016 -5.545 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -5.643 2.717 -5.087 1.00 0.00 C ATOM 0 H LEU B 44 -8.130 0.517 -1.565 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.463 1.317 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.397 2.332 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.507 0.868 -3.363 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.979 1.210 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.832 3.395 -6.536 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.043 2.502 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.146 3.848 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.428 3.100 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.642 3.541 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.880 1.992 -4.805 1.00 0.00 H new ATOM 2024 N ILE B 45 -7.699 -1.478 -4.191 1.00 0.00 N ATOM 2025 CA ILE B 45 -7.545 -2.685 -4.994 1.00 0.00 C ATOM 2026 C ILE B 45 -8.829 -3.513 -4.961 1.00 0.00 C ATOM 2027 O ILE B 45 -9.188 -4.170 -5.935 1.00 0.00 O ATOM 2028 CB ILE B 45 -6.359 -3.547 -4.497 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -5.060 -2.731 -4.520 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -6.212 -4.803 -5.348 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -3.853 -3.484 -4.001 1.00 0.00 C ATOM 0 H ILE B 45 -7.098 -1.440 -3.368 1.00 0.00 H new ATOM 0 HA ILE B 45 -7.339 -2.375 -6.018 1.00 0.00 H new ATOM 0 HB ILE B 45 -6.562 -3.851 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -4.863 -2.409 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.198 -1.830 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -5.373 -5.394 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -7.126 -5.393 -5.286 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -6.032 -4.521 -6.385 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.974 -2.841 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -4.027 -3.783 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.687 -4.371 -4.612 1.00 0.00 H new ATOM 2043 N ASN B 46 -9.530 -3.448 -3.840 1.00 0.00 N ATOM 2044 CA ASN B 46 -10.752 -4.221 -3.647 1.00 0.00 C ATOM 2045 C ASN B 46 -11.875 -3.747 -4.574 1.00 0.00 C ATOM 2046 O ASN B 46 -12.717 -4.540 -4.992 1.00 0.00 O ATOM 2047 CB ASN B 46 -11.204 -4.122 -2.187 1.00 0.00 C ATOM 2048 CG ASN B 46 -12.348 -5.060 -1.856 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -12.479 -6.128 -2.444 1.00 0.00 O ATOM 2050 ND2 ASN B 46 -13.175 -4.674 -0.896 1.00 0.00 N ATOM 0 H ASN B 46 -9.273 -2.864 -3.044 1.00 0.00 H new ATOM 0 HA ASN B 46 -10.533 -5.260 -3.895 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -10.359 -4.344 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -11.509 -3.097 -1.976 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -13.954 -5.273 -0.623 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.033 -3.778 -0.430 1.00 0.00 H new ATOM 2057 N THR B 47 -11.880 -2.459 -4.902 1.00 0.00 N ATOM 2058 CA THR B 47 -12.971 -1.880 -5.682 1.00 0.00 C ATOM 2059 C THR B 47 -12.548 -1.508 -7.106 1.00 0.00 C ATOM 2060 O THR B 47 -13.259 -1.797 -8.070 1.00 0.00 O ATOM 2061 CB THR B 47 -13.541 -0.631 -4.983 1.00 0.00 C ATOM 2062 OG1 THR B 47 -12.470 0.243 -4.599 1.00 0.00 O ATOM 2063 CG2 THR B 47 -14.353 -1.016 -3.755 1.00 0.00 C ATOM 0 H THR B 47 -11.147 -1.799 -4.643 1.00 0.00 H new ATOM 0 HA THR B 47 -13.738 -2.652 -5.750 1.00 0.00 H new ATOM 0 HB THR B 47 -14.199 -0.118 -5.684 1.00 0.00 H new ATOM 0 HG1 THR B 47 -12.133 -0.021 -3.717 1.00 0.00 H new ATOM 0 HG21 THR B 47 -14.744 -0.116 -3.280 1.00 0.00 H new ATOM 0 HG22 THR B 47 -15.182 -1.658 -4.053 1.00 0.00 H new ATOM 0 HG23 THR B 47 -13.716 -1.550 -3.050 1.00 0.00 H new ATOM 2071 N SER B 48 -11.386 -0.881 -7.238 1.00 0.00 N ATOM 2072 CA SER B 48 -10.935 -0.372 -8.525 1.00 0.00 C ATOM 2073 C SER B 48 -10.336 -1.491 -9.376 1.00 0.00 C ATOM 2074 O SER B 48 -9.965 -1.281 -10.531 1.00 0.00 O ATOM 2075 CB SER B 48 -9.911 0.750 -8.310 1.00 0.00 C ATOM 2076 OG SER B 48 -9.757 1.546 -9.474 1.00 0.00 O ATOM 0 H SER B 48 -10.739 -0.713 -6.468 1.00 0.00 H new ATOM 0 HA SER B 48 -11.795 0.030 -9.061 1.00 0.00 H new ATOM 0 HB2 SER B 48 -10.228 1.379 -7.478 1.00 0.00 H new ATOM 0 HB3 SER B 48 -8.949 0.318 -8.034 1.00 0.00 H new ATOM 0 HG SER B 48 -9.744 0.969 -10.266 1.00 0.00 H new ATOM 2082 N ILE B 49 -10.246 -2.680 -8.801 1.00 0.00 N ATOM 2083 CA ILE B 49 -9.740 -3.841 -9.514 1.00 0.00 C ATOM 2084 C ILE B 49 -10.800 -4.941 -9.522 1.00 0.00 C ATOM 2085 O ILE B 49 -11.570 -5.067 -8.569 1.00 0.00 O ATOM 2086 CB ILE B 49 -8.436 -4.374 -8.870 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -7.349 -3.292 -8.874 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -7.940 -5.623 -9.584 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -6.943 -2.834 -10.261 1.00 0.00 C ATOM 0 H ILE B 49 -10.519 -2.866 -7.836 1.00 0.00 H new ATOM 0 HA ILE B 49 -9.513 -3.540 -10.537 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.660 -4.640 -7.837 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -7.705 -2.431 -8.308 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -6.469 -3.673 -8.356 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -7.024 -5.974 -9.109 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.700 -6.402 -9.525 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.741 -5.389 -10.630 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -6.171 -2.069 -10.180 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -6.555 -3.682 -10.825 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -7.810 -2.421 -10.776 1.00 0.00 H new ATOM 2101 N ALA B 50 -10.856 -5.705 -10.610 1.00 0.00 N ATOM 2102 CA ALA B 50 -11.788 -6.820 -10.726 1.00 0.00 C ATOM 2103 C ALA B 50 -11.597 -7.807 -9.575 1.00 0.00 C ATOM 2104 O ALA B 50 -10.470 -8.182 -9.251 1.00 0.00 O ATOM 2105 CB ALA B 50 -11.605 -7.521 -12.066 1.00 0.00 C ATOM 0 H ALA B 50 -10.262 -5.570 -11.428 1.00 0.00 H new ATOM 0 HA ALA B 50 -12.804 -6.428 -10.672 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -12.307 -8.352 -12.141 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.792 -6.814 -12.875 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.586 -7.899 -12.143 1.00 0.00 H new ATOM 2111 N PRO B 51 -12.705 -8.245 -8.953 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.677 -9.136 -7.780 1.00 0.00 C ATOM 2113 C PRO B 51 -11.890 -10.423 -8.019 1.00 0.00 C ATOM 2114 O PRO B 51 -11.416 -11.058 -7.076 1.00 0.00 O ATOM 2115 CB PRO B 51 -14.153 -9.455 -7.538 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.894 -8.315 -8.146 1.00 0.00 C ATOM 2117 CD PRO B 51 -14.086 -7.888 -9.335 1.00 0.00 C ATOM 0 HA PRO B 51 -12.178 -8.661 -6.935 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -14.434 -10.401 -8.001 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -14.369 -9.544 -6.473 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -15.898 -8.616 -8.444 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -15.004 -7.497 -7.434 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -14.399 -8.406 -10.241 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -14.187 -6.820 -9.527 1.00 0.00 H new ATOM 2125 N ALA B 52 -11.748 -10.803 -9.279 1.00 0.00 N ATOM 2126 CA ALA B 52 -11.024 -12.013 -9.631 1.00 0.00 C ATOM 2127 C ALA B 52 -9.514 -11.826 -9.485 1.00 0.00 C ATOM 2128 O ALA B 52 -8.833 -12.659 -8.893 1.00 0.00 O ATOM 2129 CB ALA B 52 -11.372 -12.438 -11.046 1.00 0.00 C ATOM 0 H ALA B 52 -12.125 -10.290 -10.076 1.00 0.00 H new ATOM 0 HA ALA B 52 -11.327 -12.799 -8.939 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -10.824 -13.346 -11.299 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -12.443 -12.630 -11.115 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.100 -11.644 -11.742 1.00 0.00 H new ATOM 2135 N GLN B 53 -8.995 -10.717 -9.999 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.551 -10.517 -10.040 1.00 0.00 C ATOM 2137 C GLN B 53 -7.070 -9.559 -8.952 1.00 0.00 C ATOM 2138 O GLN B 53 -5.878 -9.275 -8.863 1.00 0.00 O ATOM 2139 CB GLN B 53 -7.109 -10.011 -11.417 1.00 0.00 C ATOM 2140 CG GLN B 53 -7.720 -8.679 -11.820 1.00 0.00 C ATOM 2141 CD GLN B 53 -7.157 -8.156 -13.130 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -6.002 -8.407 -13.472 1.00 0.00 O ATOM 2143 NE2 GLN B 53 -7.971 -7.421 -13.872 1.00 0.00 N ATOM 0 H GLN B 53 -9.544 -9.951 -10.389 1.00 0.00 H new ATOM 0 HA GLN B 53 -7.093 -11.488 -9.853 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.023 -9.916 -11.425 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.369 -10.758 -12.166 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.800 -8.791 -11.911 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.540 -7.947 -11.033 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.922 -7.235 -13.554 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -7.647 -7.041 -14.761 1.00 0.00 H new ATOM 2152 N ARG B 54 -7.987 -9.079 -8.116 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.620 -8.166 -7.032 1.00 0.00 C ATOM 2154 C ARG B 54 -6.633 -8.840 -6.078 1.00 0.00 C ATOM 2155 O ARG B 54 -5.719 -8.201 -5.556 1.00 0.00 O ATOM 2156 CB ARG B 54 -8.864 -7.680 -6.269 1.00 0.00 C ATOM 2157 CG ARG B 54 -9.637 -8.785 -5.565 1.00 0.00 C ATOM 2158 CD ARG B 54 -10.851 -8.243 -4.820 1.00 0.00 C ATOM 2159 NE ARG B 54 -11.596 -9.313 -4.152 1.00 0.00 N ATOM 2160 CZ ARG B 54 -12.876 -9.231 -3.783 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -13.585 -8.131 -4.008 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -13.449 -10.263 -3.179 1.00 0.00 N ATOM 0 H ARG B 54 -8.981 -9.303 -8.165 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.138 -7.294 -7.474 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -8.557 -6.940 -5.530 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -9.530 -7.175 -6.968 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.961 -9.525 -6.297 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.979 -9.298 -4.863 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.528 -7.509 -4.082 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -11.506 -7.725 -5.520 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.101 -10.183 -3.955 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -13.152 -7.331 -4.470 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -14.562 -8.086 -3.719 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -12.912 -11.111 -3.000 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.427 -10.208 -2.894 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.801 -10.142 -5.887 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.927 -10.904 -5.007 1.00 0.00 C ATOM 2178 C GLN B 55 -4.575 -11.117 -5.686 1.00 0.00 C ATOM 2179 O GLN B 55 -3.527 -11.006 -5.052 1.00 0.00 O ATOM 2180 CB GLN B 55 -6.589 -12.245 -4.653 1.00 0.00 C ATOM 2181 CG GLN B 55 -6.056 -12.896 -3.380 1.00 0.00 C ATOM 2182 CD GLN B 55 -4.692 -13.535 -3.551 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -4.353 -14.036 -4.623 1.00 0.00 O ATOM 2184 NE2 GLN B 55 -3.901 -13.530 -2.491 1.00 0.00 N ATOM 0 H GLN B 55 -7.536 -10.693 -6.331 1.00 0.00 H new ATOM 0 HA GLN B 55 -5.762 -10.352 -4.082 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -7.662 -12.089 -4.544 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -6.450 -12.935 -5.485 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -6.000 -12.144 -2.593 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -6.764 -13.654 -3.046 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -4.218 -13.105 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -2.974 -13.951 -2.545 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.613 -11.384 -6.988 1.00 0.00 N ATOM 2194 CA ALA B 56 -3.402 -11.638 -7.763 1.00 0.00 C ATOM 2195 C ALA B 56 -2.508 -10.402 -7.821 1.00 0.00 C ATOM 2196 O ALA B 56 -1.284 -10.507 -7.736 1.00 0.00 O ATOM 2197 CB ALA B 56 -3.764 -12.095 -9.171 1.00 0.00 C ATOM 0 H ALA B 56 -5.475 -11.430 -7.532 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.844 -12.430 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -2.852 -12.281 -9.739 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -4.351 -13.012 -9.116 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.348 -11.319 -9.666 1.00 0.00 H new ATOM 2203 N ILE B 57 -3.125 -9.233 -7.965 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.380 -7.980 -8.007 1.00 0.00 C ATOM 2205 C ILE B 57 -1.808 -7.651 -6.630 1.00 0.00 C ATOM 2206 O ILE B 57 -0.732 -7.068 -6.519 1.00 0.00 O ATOM 2207 CB ILE B 57 -3.252 -6.808 -8.514 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -3.725 -7.098 -9.940 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -2.478 -5.493 -8.471 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -4.572 -5.999 -10.540 1.00 0.00 C ATOM 0 H ILE B 57 -4.136 -9.128 -8.054 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.560 -8.114 -8.713 1.00 0.00 H new ATOM 0 HB ILE B 57 -4.118 -6.710 -7.859 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -2.854 -7.260 -10.575 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -4.297 -8.026 -9.941 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -3.114 -4.685 -8.833 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -2.173 -5.284 -7.446 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -1.594 -5.570 -9.104 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -4.868 -6.279 -11.551 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -5.462 -5.851 -9.929 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -3.997 -5.074 -10.573 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.524 -8.042 -5.581 1.00 0.00 N ATOM 2223 CA ALA B 58 -2.022 -7.885 -4.221 1.00 0.00 C ATOM 2224 C ALA B 58 -0.734 -8.685 -4.032 1.00 0.00 C ATOM 2225 O ALA B 58 0.202 -8.235 -3.368 1.00 0.00 O ATOM 2226 CB ALA B 58 -3.074 -8.319 -3.209 1.00 0.00 C ATOM 0 H ALA B 58 -3.449 -8.468 -5.646 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.801 -6.831 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.681 -8.195 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -3.968 -7.707 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.327 -9.366 -3.373 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.690 -9.865 -4.642 1.00 0.00 N ATOM 2233 CA ASN B 59 0.485 -10.734 -4.575 1.00 0.00 C ATOM 2234 C ASN B 59 1.683 -10.073 -5.244 1.00 0.00 C ATOM 2235 O ASN B 59 2.780 -10.032 -4.686 1.00 0.00 O ATOM 2236 CB ASN B 59 0.206 -12.076 -5.259 1.00 0.00 C ATOM 2237 CG ASN B 59 -0.935 -12.844 -4.623 1.00 0.00 C ATOM 2238 OD1 ASN B 59 -1.162 -12.772 -3.414 1.00 0.00 O ATOM 2239 ND2 ASN B 59 -1.667 -13.586 -5.440 1.00 0.00 N ATOM 0 H ASN B 59 -1.459 -10.246 -5.193 1.00 0.00 H new ATOM 0 HA ASN B 59 0.710 -10.906 -3.522 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -0.024 -11.900 -6.310 1.00 0.00 H new ATOM 0 HB3 ASN B 59 1.108 -12.687 -5.228 1.00 0.00 H new ATOM 0 HD21 ASN B 59 -2.452 -14.125 -5.074 1.00 0.00 H new ATOM 0 HD22 ASN B 59 -1.446 -13.618 -6.435 1.00 0.00 H new ATOM 2246 N SER B 60 1.466 -9.546 -6.440 1.00 0.00 N ATOM 2247 CA SER B 60 2.533 -8.916 -7.196 1.00 0.00 C ATOM 2248 C SER B 60 2.924 -7.581 -6.575 1.00 0.00 C ATOM 2249 O SER B 60 4.081 -7.170 -6.653 1.00 0.00 O ATOM 2250 CB SER B 60 2.107 -8.742 -8.652 1.00 0.00 C ATOM 2251 OG SER B 60 0.809 -8.181 -8.740 1.00 0.00 O ATOM 0 H SER B 60 0.559 -9.543 -6.906 1.00 0.00 H new ATOM 0 HA SER B 60 3.411 -9.561 -7.167 1.00 0.00 H new ATOM 0 HB2 SER B 60 2.820 -8.099 -9.168 1.00 0.00 H new ATOM 0 HB3 SER B 60 2.124 -9.708 -9.157 1.00 0.00 H new ATOM 0 HG SER B 60 0.565 -7.783 -7.878 1.00 0.00 H new ATOM 2257 N PHE B 61 1.958 -6.920 -5.948 1.00 0.00 N ATOM 2258 CA PHE B 61 2.222 -5.685 -5.221 1.00 0.00 C ATOM 2259 C PHE B 61 3.195 -5.955 -4.080 1.00 0.00 C ATOM 2260 O PHE B 61 4.155 -5.209 -3.877 1.00 0.00 O ATOM 2261 CB PHE B 61 0.915 -5.095 -4.676 1.00 0.00 C ATOM 2262 CG PHE B 61 1.092 -3.803 -3.927 1.00 0.00 C ATOM 2263 CD1 PHE B 61 1.246 -2.606 -4.610 1.00 0.00 C ATOM 2264 CD2 PHE B 61 1.103 -3.784 -2.542 1.00 0.00 C ATOM 2265 CE1 PHE B 61 1.408 -1.416 -3.924 1.00 0.00 C ATOM 2266 CE2 PHE B 61 1.265 -2.598 -1.851 1.00 0.00 C ATOM 2267 CZ PHE B 61 1.419 -1.414 -2.544 1.00 0.00 C ATOM 0 H PHE B 61 0.983 -7.220 -5.929 1.00 0.00 H new ATOM 0 HA PHE B 61 2.668 -4.962 -5.904 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.229 -4.930 -5.507 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.447 -5.825 -4.015 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.239 -2.603 -5.690 1.00 0.00 H new ATOM 0 HD2 PHE B 61 0.983 -4.708 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.526 -0.490 -4.467 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.271 -2.598 -0.771 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.548 -0.486 -2.006 1.00 0.00 H new ATOM 2277 N ALA B 62 2.948 -7.038 -3.352 1.00 0.00 N ATOM 2278 CA ALA B 62 3.822 -7.445 -2.263 1.00 0.00 C ATOM 2279 C ALA B 62 5.220 -7.759 -2.789 1.00 0.00 C ATOM 2280 O ALA B 62 6.219 -7.317 -2.219 1.00 0.00 O ATOM 2281 CB ALA B 62 3.235 -8.645 -1.534 1.00 0.00 C ATOM 0 H ALA B 62 2.146 -7.651 -3.499 1.00 0.00 H new ATOM 0 HA ALA B 62 3.904 -6.621 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.900 -8.938 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.259 -8.382 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.125 -9.476 -2.231 1.00 0.00 H new ATOM 2287 N ARG B 63 5.279 -8.503 -3.891 1.00 0.00 N ATOM 2288 CA ARG B 63 6.551 -8.838 -4.526 1.00 0.00 C ATOM 2289 C ARG B 63 7.300 -7.575 -4.945 1.00 0.00 C ATOM 2290 O ARG B 63 8.501 -7.440 -4.699 1.00 0.00 O ATOM 2291 CB ARG B 63 6.330 -9.728 -5.752 1.00 0.00 C ATOM 2292 CG ARG B 63 5.799 -11.115 -5.431 1.00 0.00 C ATOM 2293 CD ARG B 63 5.813 -11.999 -6.667 1.00 0.00 C ATOM 2294 NE ARG B 63 5.528 -13.398 -6.358 1.00 0.00 N ATOM 2295 CZ ARG B 63 6.459 -14.288 -6.009 1.00 0.00 C ATOM 2296 NH1 ARG B 63 7.721 -13.908 -5.832 1.00 0.00 N ATOM 2297 NH2 ARG B 63 6.121 -15.555 -5.820 1.00 0.00 N ATOM 0 H ARG B 63 4.460 -8.886 -4.363 1.00 0.00 H new ATOM 0 HA ARG B 63 7.150 -9.381 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG B 63 5.632 -9.231 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG B 63 7.274 -9.828 -6.288 1.00 0.00 H new ATOM 0 HG2 ARG B 63 6.405 -11.569 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG B 63 4.783 -11.039 -5.044 1.00 0.00 H new ATOM 0 HD2 ARG B 63 5.077 -11.631 -7.381 1.00 0.00 H new ATOM 0 HD3 ARG B 63 6.788 -11.928 -7.149 1.00 0.00 H new ATOM 0 HE ARG B 63 4.560 -13.713 -6.412 1.00 0.00 H new ATOM 0 HH11 ARG B 63 7.983 -12.931 -5.963 1.00 0.00 H new ATOM 0 HH12 ARG B 63 8.427 -14.594 -5.565 1.00 0.00 H new ATOM 0 HH21 ARG B 63 5.151 -15.848 -5.941 1.00 0.00 H new ATOM 0 HH22 ARG B 63 6.830 -16.238 -5.553 1.00 0.00 H new ATOM 2311 N ALA B 64 6.579 -6.651 -5.574 1.00 0.00 N ATOM 2312 CA ALA B 64 7.159 -5.389 -6.020 1.00 0.00 C ATOM 2313 C ALA B 64 7.679 -4.588 -4.836 1.00 0.00 C ATOM 2314 O ALA B 64 8.751 -3.989 -4.904 1.00 0.00 O ATOM 2315 CB ALA B 64 6.138 -4.578 -6.804 1.00 0.00 C ATOM 0 H ALA B 64 5.587 -6.754 -5.787 1.00 0.00 H new ATOM 0 HA ALA B 64 7.999 -5.614 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA B 64 6.589 -3.640 -7.128 1.00 0.00 H new ATOM 0 HB2 ALA B 64 5.815 -5.146 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.277 -4.366 -6.170 1.00 0.00 H new ATOM 2321 N LEU B 65 6.915 -4.597 -3.749 1.00 0.00 N ATOM 2322 CA LEU B 65 7.310 -3.918 -2.524 1.00 0.00 C ATOM 2323 C LEU B 65 8.635 -4.476 -2.014 1.00 0.00 C ATOM 2324 O LEU B 65 9.573 -3.725 -1.753 1.00 0.00 O ATOM 2325 CB LEU B 65 6.223 -4.084 -1.456 1.00 0.00 C ATOM 2326 CG LEU B 65 6.461 -3.320 -0.151 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.432 -1.818 -0.391 1.00 0.00 C ATOM 2328 CD2 LEU B 65 5.426 -3.716 0.891 1.00 0.00 C ATOM 0 H LEU B 65 6.013 -5.071 -3.693 1.00 0.00 H new ATOM 0 HA LEU B 65 7.436 -2.857 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.271 -3.761 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.125 -5.144 -1.223 1.00 0.00 H new ATOM 0 HG LEU B 65 7.450 -3.583 0.225 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.603 -1.296 0.550 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.212 -1.548 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.460 -1.532 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.609 -3.164 1.813 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.428 -3.482 0.520 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.499 -4.786 1.088 1.00 0.00 H new ATOM 2340 N GLN B 66 8.721 -5.800 -1.910 1.00 0.00 N ATOM 2341 CA GLN B 66 9.929 -6.454 -1.414 1.00 0.00 C ATOM 2342 C GLN B 66 11.119 -6.182 -2.331 1.00 0.00 C ATOM 2343 O GLN B 66 12.260 -6.104 -1.876 1.00 0.00 O ATOM 2344 CB GLN B 66 9.723 -7.967 -1.288 1.00 0.00 C ATOM 2345 CG GLN B 66 8.557 -8.367 -0.400 1.00 0.00 C ATOM 2346 CD GLN B 66 8.623 -7.762 0.989 1.00 0.00 C ATOM 2347 OE1 GLN B 66 9.701 -7.481 1.513 1.00 0.00 O ATOM 2348 NE2 GLN B 66 7.465 -7.570 1.599 1.00 0.00 N ATOM 0 H GLN B 66 7.969 -6.441 -2.163 1.00 0.00 H new ATOM 0 HA GLN B 66 10.138 -6.039 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN B 66 9.567 -8.385 -2.283 1.00 0.00 H new ATOM 0 HB3 GLN B 66 10.635 -8.415 -0.894 1.00 0.00 H new ATOM 0 HG2 GLN B 66 7.625 -8.063 -0.877 1.00 0.00 H new ATOM 0 HG3 GLN B 66 8.531 -9.453 -0.314 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.594 -7.817 1.129 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.443 -7.175 2.539 1.00 0.00 H new ATOM 2357 N SER B 67 10.845 -6.033 -3.620 1.00 0.00 N ATOM 2358 CA SER B 67 11.892 -5.799 -4.605 1.00 0.00 C ATOM 2359 C SER B 67 12.284 -4.321 -4.653 1.00 0.00 C ATOM 2360 O SER B 67 13.316 -3.958 -5.220 1.00 0.00 O ATOM 2361 CB SER B 67 11.421 -6.259 -5.985 1.00 0.00 C ATOM 2362 OG SER B 67 10.957 -7.600 -5.945 1.00 0.00 O ATOM 0 H SER B 67 9.903 -6.070 -4.009 1.00 0.00 H new ATOM 0 HA SER B 67 12.770 -6.374 -4.311 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.623 -5.605 -6.337 1.00 0.00 H new ATOM 0 HB3 SER B 67 12.240 -6.175 -6.699 1.00 0.00 H new ATOM 0 HG SER B 67 10.118 -7.641 -5.440 1.00 0.00 H new ATOM 2368 N SER B 68 11.455 -3.470 -4.063 1.00 0.00 N ATOM 2369 CA SER B 68 11.704 -2.040 -4.083 1.00 0.00 C ATOM 2370 C SER B 68 12.327 -1.575 -2.770 1.00 0.00 C ATOM 2371 O SER B 68 13.086 -0.605 -2.749 1.00 0.00 O ATOM 2372 CB SER B 68 10.405 -1.274 -4.355 1.00 0.00 C ATOM 2373 OG SER B 68 10.658 0.105 -4.573 1.00 0.00 O ATOM 0 H SER B 68 10.608 -3.747 -3.567 1.00 0.00 H new ATOM 0 HA SER B 68 12.409 -1.832 -4.887 1.00 0.00 H new ATOM 0 HB2 SER B 68 9.906 -1.697 -5.227 1.00 0.00 H new ATOM 0 HB3 SER B 68 9.726 -1.393 -3.511 1.00 0.00 H new ATOM 0 HG SER B 68 9.812 0.569 -4.746 1.00 0.00 H new ATOM 2379 N ILE B 69 12.011 -2.262 -1.675 1.00 0.00 N ATOM 2380 CA ILE B 69 12.556 -1.895 -0.375 1.00 0.00 C ATOM 2381 C ILE B 69 14.015 -2.319 -0.259 1.00 0.00 C ATOM 2382 O ILE B 69 14.329 -3.428 0.182 1.00 0.00 O ATOM 2383 CB ILE B 69 11.762 -2.502 0.805 1.00 0.00 C ATOM 2384 CG1 ILE B 69 10.295 -2.078 0.746 1.00 0.00 C ATOM 2385 CG2 ILE B 69 12.375 -2.073 2.134 1.00 0.00 C ATOM 2386 CD1 ILE B 69 9.450 -2.687 1.846 1.00 0.00 C ATOM 0 H ILE B 69 11.386 -3.068 -1.663 1.00 0.00 H new ATOM 0 HA ILE B 69 12.474 -0.810 -0.312 1.00 0.00 H new ATOM 0 HB ILE B 69 11.813 -3.588 0.725 1.00 0.00 H new ATOM 0 HG12 ILE B 69 10.235 -0.992 0.811 1.00 0.00 H new ATOM 0 HG13 ILE B 69 9.880 -2.363 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE B 69 11.805 -2.508 2.955 1.00 0.00 H new ATOM 0 HG22 ILE B 69 13.408 -2.418 2.186 1.00 0.00 H new ATOM 0 HG23 ILE B 69 12.351 -0.986 2.212 1.00 0.00 H new ATOM 0 HD11 ILE B 69 8.420 -2.345 1.745 1.00 0.00 H new ATOM 0 HD12 ILE B 69 9.480 -3.774 1.769 1.00 0.00 H new ATOM 0 HD13 ILE B 69 9.841 -2.381 2.817 1.00 0.00 H new