USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=26 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 59 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Set 1.2: B 66 GLN : amide:sc= 0 K(o=1.1,f=0.44) USER MOD Set 2.1: A 66 GLN :FLIP amide:sc= -0.644 F(o=-2.1,f=-1.5) USER MOD Set 2.2: B 55 GLN : amide:sc= -0.88 K(o=-1.5,f=-5.6!) USER MOD Set 2.3: B 59 ASN :FLIP amide:sc= -0.0239 F(o=-2.1!,f=-1.5) USER MOD Set 3.1: B 47 THR OG1 : rot -75:sc= 0.966 USER MOD Set 3.2: B 48 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 68 SER OG : rot 131:sc= -0.0463 USER MOD Set 4.2: B 42 THR OG1 : rot 88:sc= 1.32 USER MOD Single : A 11 GLN :FLIP amide:sc=-0.00937 F(o=-1.1,f=-0.0094) USER MOD Single : A 14 GLN : amide:sc= -0.688 X(o=-0.69,f=-0.5) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0123 F(o=-1.1,f=-0.012) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= 1.29 (180deg=1.12) USER MOD Single : A 26 HIS : no HD1:sc= 1 K(o=1,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.25 (180deg=0.632) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -5:sc= -0.402 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=-0.57) USER MOD Single : A 40 MET CE :methyl 180:sc= -0.15 (180deg=-0.15) USER MOD Single : A 42 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 46 ASN : amide:sc= -0.341 K(o=-0.34,f=-2.6!) USER MOD Single : A 47 THR OG1 : rot -67:sc= 1.17 USER MOD Single : A 48 SER OG : rot -41:sc= 0.423 USER MOD Single : A 53 GLN : amide:sc= -0.834 K(o=-0.83,f=-10!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.773 F(o=-4.9!,f=-0.77) USER MOD Single : A 60 SER OG : rot 63:sc= 1.22 USER MOD Single : A 67 SER OG : rot 9:sc= 1.17 USER MOD Single : B 8 SER OG : rot 33:sc= 0.25 USER MOD Single : B 11 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 14 GLN : amide:sc= -1.83! C(o=-1.8!,f=-7!) USER MOD Single : B 21 ASN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : B 25 LYS NZ :NH3+ -159:sc= 1.1 (180deg=0.992) USER MOD Single : B 26 HIS : no HD1:sc= -1.01 K(o=-1,f=-4.3!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 71:sc= 1.16 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 39 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0072) USER MOD Single : B 40 MET CE :methyl 177:sc= 0 (180deg=-0.0102) USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : B 46 ASN : amide:sc= -1.16! C(o=-1.2!,f=-3.6!) USER MOD Single : B 53 GLN : amide:sc= -0.675 K(o=-0.68,f=-4.3!) USER MOD Single : B 60 SER OG : rot 90:sc= 1.34 USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= -0.681 USER MOD ----------------------------------------------------------------- ATOM 137 N ASP A 9 -11.831 8.164 13.792 1.00 0.00 N ATOM 138 CA ASP A 9 -12.118 7.519 12.510 1.00 0.00 C ATOM 139 C ASP A 9 -12.516 8.561 11.478 1.00 0.00 C ATOM 140 O ASP A 9 -12.267 8.401 10.284 1.00 0.00 O ATOM 141 CB ASP A 9 -13.235 6.481 12.650 1.00 0.00 C ATOM 142 CG ASP A 9 -12.851 5.315 13.541 1.00 0.00 C ATOM 143 OD1 ASP A 9 -12.197 4.375 13.049 1.00 0.00 O ATOM 144 OD2 ASP A 9 -13.213 5.335 14.739 1.00 0.00 O ATOM 0 HA ASP A 9 -11.213 7.008 12.182 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.124 6.964 13.056 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.500 6.105 11.662 1.00 0.00 H new ATOM 149 N GLU A 10 -13.136 9.633 11.958 1.00 0.00 N ATOM 150 CA GLU A 10 -13.509 10.761 11.119 1.00 0.00 C ATOM 151 C GLU A 10 -12.273 11.347 10.444 1.00 0.00 C ATOM 152 O GLU A 10 -12.298 11.682 9.264 1.00 0.00 O ATOM 153 CB GLU A 10 -14.206 11.852 11.943 1.00 0.00 C ATOM 154 CG GLU A 10 -15.378 11.359 12.782 1.00 0.00 C ATOM 155 CD GLU A 10 -14.940 10.629 14.037 1.00 0.00 C ATOM 156 OE1 GLU A 10 -14.500 11.296 14.993 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.024 9.386 14.068 1.00 0.00 O ATOM 0 H GLU A 10 -13.393 9.743 12.939 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.202 10.399 10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.473 12.315 12.603 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.562 12.629 11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.001 12.209 13.061 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.996 10.695 12.178 1.00 0.00 H new ATOM 164 N GLN A 11 -11.189 11.457 11.207 1.00 0.00 N ATOM 165 CA GLN A 11 -9.926 11.952 10.678 1.00 0.00 C ATOM 166 C GLN A 11 -9.374 10.978 9.644 1.00 0.00 C ATOM 167 O GLN A 11 -8.867 11.386 8.603 1.00 0.00 O ATOM 168 CB GLN A 11 -8.908 12.152 11.806 1.00 0.00 C ATOM 169 CG GLN A 11 -7.543 12.618 11.320 1.00 0.00 C ATOM 170 CD GLN A 11 -6.525 12.741 12.437 1.00 0.00 C ATOM 171 OE1 GLN A 11 -6.663 11.920 13.467 1.00 0.00 O flip ATOM 172 NE2 GLN A 11 -5.617 13.567 12.376 1.00 0.00 N flip ATOM 0 H GLN A 11 -11.162 11.209 12.196 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.106 12.915 10.200 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.301 12.882 12.513 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.790 11.214 12.348 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.171 11.917 10.573 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.650 13.584 10.826 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.542 14.183 11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.939 13.636 13.135 1.00 0.00 H new ATOM 181 N VAL A 12 -9.489 9.686 9.937 1.00 0.00 N ATOM 182 CA VAL A 12 -9.039 8.643 9.021 1.00 0.00 C ATOM 183 C VAL A 12 -9.809 8.722 7.707 1.00 0.00 C ATOM 184 O VAL A 12 -9.217 8.686 6.627 1.00 0.00 O ATOM 185 CB VAL A 12 -9.211 7.238 9.637 1.00 0.00 C ATOM 186 CG1 VAL A 12 -8.691 6.163 8.692 1.00 0.00 C ATOM 187 CG2 VAL A 12 -8.507 7.150 10.982 1.00 0.00 C ATOM 0 H VAL A 12 -9.892 9.335 10.806 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.978 8.808 8.832 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.276 7.068 9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.823 5.182 9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.245 6.204 7.754 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.632 6.332 8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.641 6.152 11.398 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.443 7.348 10.850 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.931 7.887 11.664 1.00 0.00 H new ATOM 197 N GLU A 13 -11.129 8.846 7.810 1.00 0.00 N ATOM 198 CA GLU A 13 -11.986 9.004 6.638 1.00 0.00 C ATOM 199 C GLU A 13 -11.616 10.279 5.884 1.00 0.00 C ATOM 200 O GLU A 13 -11.529 10.279 4.657 1.00 0.00 O ATOM 201 CB GLU A 13 -13.458 9.043 7.064 1.00 0.00 C ATOM 202 CG GLU A 13 -14.439 9.196 5.908 1.00 0.00 C ATOM 203 CD GLU A 13 -14.406 8.028 4.940 1.00 0.00 C ATOM 204 OE1 GLU A 13 -14.822 6.914 5.328 1.00 0.00 O ATOM 205 OE2 GLU A 13 -13.997 8.222 3.778 1.00 0.00 O ATOM 0 H GLU A 13 -11.631 8.840 8.698 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.838 8.152 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.692 8.127 7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.602 9.870 7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.448 9.301 6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.213 10.115 5.367 1.00 0.00 H new ATOM 212 N GLN A 14 -11.386 11.357 6.631 1.00 0.00 N ATOM 213 CA GLN A 14 -10.978 12.627 6.041 1.00 0.00 C ATOM 214 C GLN A 14 -9.681 12.436 5.264 1.00 0.00 C ATOM 215 O GLN A 14 -9.580 12.843 4.115 1.00 0.00 O ATOM 216 CB GLN A 14 -10.796 13.694 7.134 1.00 0.00 C ATOM 217 CG GLN A 14 -10.913 15.137 6.638 1.00 0.00 C ATOM 218 CD GLN A 14 -9.747 15.597 5.771 1.00 0.00 C ATOM 219 OE1 GLN A 14 -9.922 16.407 4.863 1.00 0.00 O ATOM 220 NE2 GLN A 14 -8.547 15.115 6.063 1.00 0.00 N ATOM 0 H GLN A 14 -11.476 11.375 7.647 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.756 12.968 5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -11.541 13.529 7.912 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.818 13.560 7.596 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.837 15.240 6.069 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.994 15.800 7.499 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.438 14.444 6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.733 15.415 5.527 1.00 0.00 H new ATOM 229 N LEU A 15 -8.700 11.800 5.900 1.00 0.00 N ATOM 230 CA LEU A 15 -7.404 11.556 5.271 1.00 0.00 C ATOM 231 C LEU A 15 -7.560 10.699 4.021 1.00 0.00 C ATOM 232 O LEU A 15 -6.932 10.961 2.998 1.00 0.00 O ATOM 233 CB LEU A 15 -6.446 10.877 6.253 1.00 0.00 C ATOM 234 CG LEU A 15 -6.054 11.717 7.471 1.00 0.00 C ATOM 235 CD1 LEU A 15 -5.154 10.920 8.402 1.00 0.00 C ATOM 236 CD2 LEU A 15 -5.365 12.999 7.032 1.00 0.00 C ATOM 0 H LEU A 15 -8.778 11.444 6.852 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.986 12.520 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.905 9.952 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.539 10.599 5.717 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.961 11.981 8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.886 11.534 9.262 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.681 10.029 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.249 10.626 7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.093 13.585 7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.466 12.754 6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.041 13.579 6.404 1.00 0.00 H new ATOM 248 N LEU A 16 -8.406 9.682 4.111 1.00 0.00 N ATOM 249 CA LEU A 16 -8.684 8.818 2.974 1.00 0.00 C ATOM 250 C LEU A 16 -9.301 9.628 1.840 1.00 0.00 C ATOM 251 O LEU A 16 -8.821 9.597 0.707 1.00 0.00 O ATOM 252 CB LEU A 16 -9.628 7.681 3.386 1.00 0.00 C ATOM 253 CG LEU A 16 -9.914 6.644 2.297 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.642 5.903 1.915 1.00 0.00 C ATOM 255 CD2 LEU A 16 -10.983 5.668 2.761 1.00 0.00 C ATOM 0 H LEU A 16 -8.912 9.435 4.962 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.746 8.383 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.200 7.170 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.574 8.115 3.709 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.283 7.165 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.867 5.170 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.905 6.614 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.241 5.393 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.174 4.937 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.641 5.154 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.901 6.212 2.982 1.00 0.00 H new ATOM 267 N ALA A 17 -10.345 10.381 2.164 1.00 0.00 N ATOM 268 CA ALA A 17 -11.034 11.210 1.185 1.00 0.00 C ATOM 269 C ALA A 17 -10.128 12.316 0.657 1.00 0.00 C ATOM 270 O ALA A 17 -10.314 12.795 -0.455 1.00 0.00 O ATOM 271 CB ALA A 17 -12.292 11.812 1.795 1.00 0.00 C ATOM 0 H ALA A 17 -10.735 10.434 3.105 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.313 10.573 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.797 12.429 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.959 11.012 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -12.022 12.426 2.654 1.00 0.00 H new ATOM 277 N GLU A 18 -9.154 12.717 1.462 1.00 0.00 N ATOM 278 CA GLU A 18 -8.225 13.776 1.090 1.00 0.00 C ATOM 279 C GLU A 18 -7.140 13.237 0.160 1.00 0.00 C ATOM 280 O GLU A 18 -6.762 13.890 -0.814 1.00 0.00 O ATOM 281 CB GLU A 18 -7.613 14.390 2.350 1.00 0.00 C ATOM 282 CG GLU A 18 -6.767 15.625 2.097 1.00 0.00 C ATOM 283 CD GLU A 18 -6.382 16.331 3.381 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.309 15.669 4.438 1.00 0.00 O ATOM 285 OE2 GLU A 18 -6.144 17.552 3.344 1.00 0.00 O ATOM 0 H GLU A 18 -8.986 12.320 2.386 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.767 14.553 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.416 14.649 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.998 13.638 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.864 15.340 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.317 16.315 1.457 1.00 0.00 H new ATOM 292 N LEU A 19 -6.651 12.036 0.450 1.00 0.00 N ATOM 293 CA LEU A 19 -5.695 11.375 -0.432 1.00 0.00 C ATOM 294 C LEU A 19 -6.363 11.038 -1.759 1.00 0.00 C ATOM 295 O LEU A 19 -5.784 11.232 -2.829 1.00 0.00 O ATOM 296 CB LEU A 19 -5.136 10.105 0.215 1.00 0.00 C ATOM 297 CG LEU A 19 -4.281 10.327 1.464 1.00 0.00 C ATOM 298 CD1 LEU A 19 -3.804 8.998 2.021 1.00 0.00 C ATOM 299 CD2 LEU A 19 -3.095 11.229 1.150 1.00 0.00 C ATOM 0 H LEU A 19 -6.899 11.503 1.284 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.864 12.057 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.970 9.454 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.537 9.574 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.895 10.819 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.197 9.173 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.665 8.384 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.207 8.482 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.500 11.374 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.479 10.765 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.456 12.194 0.794 1.00 0.00 H new ATOM 311 N LEU A 20 -7.595 10.544 -1.682 1.00 0.00 N ATOM 312 CA LEU A 20 -8.380 10.267 -2.876 1.00 0.00 C ATOM 313 C LEU A 20 -8.779 11.568 -3.562 1.00 0.00 C ATOM 314 O LEU A 20 -8.984 11.602 -4.773 1.00 0.00 O ATOM 315 CB LEU A 20 -9.623 9.434 -2.539 1.00 0.00 C ATOM 316 CG LEU A 20 -9.426 7.911 -2.564 1.00 0.00 C ATOM 317 CD1 LEU A 20 -8.353 7.474 -1.578 1.00 0.00 C ATOM 318 CD2 LEU A 20 -10.740 7.204 -2.265 1.00 0.00 C ATOM 0 H LEU A 20 -8.069 10.328 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.762 9.686 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.973 9.721 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.414 9.692 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.093 7.632 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.239 6.391 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.407 7.949 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.644 7.768 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.586 6.125 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.096 7.500 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.480 7.479 -3.016 1.00 0.00 H new ATOM 330 N ASN A 21 -8.874 12.640 -2.781 1.00 0.00 N ATOM 331 CA ASN A 21 -9.156 13.960 -3.329 1.00 0.00 C ATOM 332 C ASN A 21 -8.029 14.376 -4.254 1.00 0.00 C ATOM 333 O ASN A 21 -8.269 14.819 -5.366 1.00 0.00 O ATOM 334 CB ASN A 21 -9.321 15.004 -2.219 1.00 0.00 C ATOM 335 CG ASN A 21 -9.747 16.360 -2.752 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.552 16.361 -3.802 1.00 0.00 O flip ATOM 337 ND2 ASN A 21 -9.369 17.400 -2.211 1.00 0.00 N flip ATOM 0 H ASN A 21 -8.760 12.619 -1.768 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.093 13.904 -3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.061 14.651 -1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.379 15.109 -1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.748 17.358 -1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.677 18.303 -2.571 1.00 0.00 H new ATOM 344 N VAL A 22 -6.798 14.208 -3.783 1.00 0.00 N ATOM 345 CA VAL A 22 -5.616 14.472 -4.596 1.00 0.00 C ATOM 346 C VAL A 22 -5.636 13.623 -5.863 1.00 0.00 C ATOM 347 O VAL A 22 -5.334 14.109 -6.960 1.00 0.00 O ATOM 348 CB VAL A 22 -4.323 14.178 -3.807 1.00 0.00 C ATOM 349 CG1 VAL A 22 -3.105 14.246 -4.714 1.00 0.00 C ATOM 350 CG2 VAL A 22 -4.179 15.146 -2.641 1.00 0.00 C ATOM 0 H VAL A 22 -6.592 13.888 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.633 15.528 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.390 13.165 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.207 14.035 -4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.203 13.509 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.030 15.243 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.262 14.924 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.139 16.168 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.033 15.040 -1.973 1.00 0.00 H new ATOM 360 N LEU A 23 -6.012 12.361 -5.704 1.00 0.00 N ATOM 361 CA LEU A 23 -6.067 11.429 -6.819 1.00 0.00 C ATOM 362 C LEU A 23 -7.072 11.912 -7.863 1.00 0.00 C ATOM 363 O LEU A 23 -6.742 12.021 -9.039 1.00 0.00 O ATOM 364 CB LEU A 23 -6.433 10.024 -6.314 1.00 0.00 C ATOM 365 CG LEU A 23 -6.006 8.851 -7.211 1.00 0.00 C ATOM 366 CD1 LEU A 23 -6.136 7.540 -6.454 1.00 0.00 C ATOM 367 CD2 LEU A 23 -6.833 8.800 -8.488 1.00 0.00 C ATOM 0 H LEU A 23 -6.285 11.959 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.085 11.380 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.984 9.885 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.514 9.978 -6.180 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.964 9.004 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.831 6.716 -7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.498 7.565 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.173 7.397 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.506 7.959 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.886 8.677 -8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.700 9.728 -9.045 1.00 0.00 H new ATOM 379 N GLU A 24 -8.290 12.226 -7.428 1.00 0.00 N ATOM 380 CA GLU A 24 -9.331 12.679 -8.347 1.00 0.00 C ATOM 381 C GLU A 24 -9.054 14.093 -8.850 1.00 0.00 C ATOM 382 O GLU A 24 -9.459 14.456 -9.951 1.00 0.00 O ATOM 383 CB GLU A 24 -10.707 12.631 -7.685 1.00 0.00 C ATOM 384 CG GLU A 24 -11.145 11.235 -7.286 1.00 0.00 C ATOM 385 CD GLU A 24 -12.608 11.182 -6.908 1.00 0.00 C ATOM 386 OE1 GLU A 24 -12.965 11.656 -5.809 1.00 0.00 O ATOM 387 OE2 GLU A 24 -13.415 10.673 -7.714 1.00 0.00 O ATOM 0 H GLU A 24 -8.579 12.176 -6.451 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.323 11.999 -9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.696 13.266 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.444 13.052 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.960 10.548 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.542 10.893 -6.445 1.00 0.00 H new ATOM 394 N LYS A 25 -8.374 14.882 -8.031 1.00 0.00 N ATOM 395 CA LYS A 25 -7.997 16.250 -8.381 1.00 0.00 C ATOM 396 C LYS A 25 -7.233 16.273 -9.698 1.00 0.00 C ATOM 397 O LYS A 25 -7.510 17.083 -10.584 1.00 0.00 O ATOM 398 CB LYS A 25 -7.131 16.838 -7.261 1.00 0.00 C ATOM 399 CG LYS A 25 -6.692 18.278 -7.470 1.00 0.00 C ATOM 400 CD LYS A 25 -5.732 18.707 -6.370 1.00 0.00 C ATOM 401 CE LYS A 25 -5.302 20.157 -6.514 1.00 0.00 C ATOM 402 NZ LYS A 25 -4.262 20.521 -5.513 1.00 0.00 N ATOM 0 H LYS A 25 -8.066 14.594 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.900 16.850 -8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.685 16.776 -6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.242 16.217 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.210 18.380 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.563 18.933 -7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.208 18.566 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.851 18.065 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.915 20.324 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.168 20.808 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.742 21.360 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.716 20.730 -4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.600 19.728 -5.396 1.00 0.00 H new ATOM 416 N HIS A 26 -6.284 15.360 -9.828 1.00 0.00 N ATOM 417 CA HIS A 26 -5.446 15.303 -11.014 1.00 0.00 C ATOM 418 C HIS A 26 -5.940 14.233 -11.985 1.00 0.00 C ATOM 419 O HIS A 26 -5.738 14.349 -13.193 1.00 0.00 O ATOM 420 CB HIS A 26 -3.990 15.040 -10.622 1.00 0.00 C ATOM 421 CG HIS A 26 -3.389 16.126 -9.781 1.00 0.00 C ATOM 422 ND1 HIS A 26 -2.848 17.274 -10.314 1.00 0.00 N ATOM 423 CD2 HIS A 26 -3.259 16.243 -8.437 1.00 0.00 C ATOM 424 CE1 HIS A 26 -2.414 18.050 -9.340 1.00 0.00 C ATOM 425 NE2 HIS A 26 -2.651 17.448 -8.191 1.00 0.00 N ATOM 0 H HIS A 26 -6.075 14.649 -9.127 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.505 16.267 -11.519 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.934 14.097 -10.078 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.395 14.921 -11.527 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.575 15.522 -7.698 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.944 19.015 -9.463 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.420 17.818 -7.269 1.00 0.00 H new ATOM 434 N LYS A 27 -6.608 13.215 -11.442 1.00 0.00 N ATOM 435 CA LYS A 27 -7.106 12.074 -12.215 1.00 0.00 C ATOM 436 C LYS A 27 -5.956 11.231 -12.755 1.00 0.00 C ATOM 437 O LYS A 27 -5.284 11.604 -13.719 1.00 0.00 O ATOM 438 CB LYS A 27 -8.036 12.506 -13.358 1.00 0.00 C ATOM 439 CG LYS A 27 -9.412 12.962 -12.895 1.00 0.00 C ATOM 440 CD LYS A 27 -10.076 11.913 -12.013 1.00 0.00 C ATOM 441 CE LYS A 27 -11.532 12.249 -11.717 1.00 0.00 C ATOM 442 NZ LYS A 27 -11.706 13.644 -11.226 1.00 0.00 N ATOM 0 H LYS A 27 -6.821 13.157 -10.446 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.693 11.464 -11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.563 13.317 -13.912 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.154 11.673 -14.051 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.321 13.898 -12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.042 13.162 -13.762 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.022 10.941 -12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.526 11.828 -11.075 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.125 12.109 -12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.918 11.554 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.555 13.698 -10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.873 13.923 -10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.812 14.287 -12.037 1.00 0.00 H new ATOM 456 N ALA A 28 -5.724 10.099 -12.112 1.00 0.00 N ATOM 457 CA ALA A 28 -4.654 9.200 -12.508 1.00 0.00 C ATOM 458 C ALA A 28 -5.168 7.771 -12.623 1.00 0.00 C ATOM 459 O ALA A 28 -6.048 7.363 -11.865 1.00 0.00 O ATOM 460 CB ALA A 28 -3.511 9.267 -11.506 1.00 0.00 C ATOM 0 H ALA A 28 -6.266 9.780 -11.309 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.286 9.514 -13.485 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.716 8.588 -11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.123 10.285 -11.464 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.874 8.976 -10.520 1.00 0.00 H new ATOM 466 N PRO A 29 -4.646 7.004 -13.594 1.00 0.00 N ATOM 467 CA PRO A 29 -4.979 5.584 -13.750 1.00 0.00 C ATOM 468 C PRO A 29 -4.539 4.765 -12.540 1.00 0.00 C ATOM 469 O PRO A 29 -3.568 5.117 -11.865 1.00 0.00 O ATOM 470 CB PRO A 29 -4.189 5.158 -14.996 1.00 0.00 C ATOM 471 CG PRO A 29 -3.862 6.429 -15.703 1.00 0.00 C ATOM 472 CD PRO A 29 -3.708 7.464 -14.629 1.00 0.00 C ATOM 0 HA PRO A 29 -6.053 5.423 -13.842 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.284 4.615 -14.722 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.779 4.495 -15.629 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.945 6.329 -16.284 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.653 6.704 -16.401 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.685 7.510 -14.256 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.961 8.461 -14.989 1.00 0.00 H new ATOM 480 N THR A 30 -5.246 3.669 -12.281 1.00 0.00 N ATOM 481 CA THR A 30 -4.953 2.813 -11.136 1.00 0.00 C ATOM 482 C THR A 30 -3.533 2.253 -11.218 1.00 0.00 C ATOM 483 O THR A 30 -2.841 2.130 -10.207 1.00 0.00 O ATOM 484 CB THR A 30 -5.965 1.655 -11.052 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.299 2.173 -11.162 1.00 0.00 O ATOM 486 CG2 THR A 30 -5.824 0.895 -9.741 1.00 0.00 C ATOM 0 H THR A 30 -6.030 3.352 -12.852 1.00 0.00 H new ATOM 0 HA THR A 30 -5.035 3.423 -10.236 1.00 0.00 H new ATOM 0 HB THR A 30 -5.763 0.966 -11.872 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.942 1.435 -11.110 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.551 0.084 -9.711 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.818 0.483 -9.666 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.002 1.573 -8.906 1.00 0.00 H new ATOM 494 N ASP A 31 -3.102 1.932 -12.431 1.00 0.00 N ATOM 495 CA ASP A 31 -1.749 1.438 -12.665 1.00 0.00 C ATOM 496 C ASP A 31 -0.718 2.470 -12.209 1.00 0.00 C ATOM 497 O ASP A 31 0.251 2.142 -11.524 1.00 0.00 O ATOM 498 CB ASP A 31 -1.559 1.128 -14.153 1.00 0.00 C ATOM 499 CG ASP A 31 -0.222 0.485 -14.457 1.00 0.00 C ATOM 500 OD1 ASP A 31 0.751 1.218 -14.725 1.00 0.00 O ATOM 501 OD2 ASP A 31 -0.146 -0.763 -14.452 1.00 0.00 O ATOM 0 H ASP A 31 -3.673 2.005 -13.273 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.604 0.525 -12.088 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.358 0.466 -14.486 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.651 2.051 -14.725 1.00 0.00 H new ATOM 506 N LEU A 32 -0.970 3.725 -12.559 1.00 0.00 N ATOM 507 CA LEU A 32 -0.058 4.814 -12.239 1.00 0.00 C ATOM 508 C LEU A 32 -0.082 5.138 -10.748 1.00 0.00 C ATOM 509 O LEU A 32 0.964 5.362 -10.138 1.00 0.00 O ATOM 510 CB LEU A 32 -0.419 6.061 -13.051 1.00 0.00 C ATOM 511 CG LEU A 32 0.453 7.292 -12.785 1.00 0.00 C ATOM 512 CD1 LEU A 32 1.900 7.014 -13.158 1.00 0.00 C ATOM 513 CD2 LEU A 32 -0.077 8.492 -13.552 1.00 0.00 C ATOM 0 H LEU A 32 -1.805 4.014 -13.068 1.00 0.00 H new ATOM 0 HA LEU A 32 0.951 4.494 -12.500 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.357 5.815 -14.111 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.457 6.321 -12.845 1.00 0.00 H new ATOM 0 HG LEU A 32 0.414 7.519 -11.720 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.503 7.900 -12.962 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.275 6.181 -12.564 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.961 6.761 -14.216 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.553 9.359 -13.353 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.067 8.274 -14.620 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.098 8.705 -13.234 1.00 0.00 H new ATOM 525 N SER A 33 -1.274 5.159 -10.160 1.00 0.00 N ATOM 526 CA SER A 33 -1.410 5.483 -8.748 1.00 0.00 C ATOM 527 C SER A 33 -0.708 4.436 -7.887 1.00 0.00 C ATOM 528 O SER A 33 -0.023 4.774 -6.923 1.00 0.00 O ATOM 529 CB SER A 33 -2.888 5.607 -8.363 1.00 0.00 C ATOM 530 OG SER A 33 -3.628 4.470 -8.771 1.00 0.00 O ATOM 0 H SER A 33 -2.153 4.957 -10.637 1.00 0.00 H new ATOM 0 HA SER A 33 -0.932 6.446 -8.568 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.975 5.731 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.311 6.501 -8.821 1.00 0.00 H new ATOM 0 HG SER A 33 -3.051 3.874 -9.292 1.00 0.00 H new ATOM 536 N LEU A 34 -0.856 3.166 -8.259 1.00 0.00 N ATOM 537 CA LEU A 34 -0.205 2.079 -7.536 1.00 0.00 C ATOM 538 C LEU A 34 1.310 2.162 -7.686 1.00 0.00 C ATOM 539 O LEU A 34 2.052 1.775 -6.784 1.00 0.00 O ATOM 540 CB LEU A 34 -0.708 0.718 -8.025 1.00 0.00 C ATOM 541 CG LEU A 34 -2.185 0.427 -7.749 1.00 0.00 C ATOM 542 CD1 LEU A 34 -2.571 -0.935 -8.304 1.00 0.00 C ATOM 543 CD2 LEU A 34 -2.475 0.495 -6.256 1.00 0.00 C ATOM 0 H LEU A 34 -1.420 2.866 -9.055 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.458 2.182 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.536 0.651 -9.099 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.108 -0.062 -7.557 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.784 1.187 -8.250 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.624 -1.126 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.402 -0.950 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.964 -1.706 -7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.530 0.285 -6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.866 -0.243 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.236 1.491 -5.884 1.00 0.00 H new ATOM 555 N MET A 35 1.765 2.667 -8.827 1.00 0.00 N ATOM 556 CA MET A 35 3.193 2.866 -9.061 1.00 0.00 C ATOM 557 C MET A 35 3.745 3.927 -8.108 1.00 0.00 C ATOM 558 O MET A 35 4.786 3.731 -7.478 1.00 0.00 O ATOM 559 CB MET A 35 3.444 3.274 -10.517 1.00 0.00 C ATOM 560 CG MET A 35 4.912 3.509 -10.842 1.00 0.00 C ATOM 561 SD MET A 35 5.183 3.955 -12.570 1.00 0.00 S ATOM 562 CE MET A 35 6.953 4.226 -12.571 1.00 0.00 C ATOM 0 H MET A 35 1.167 2.946 -9.605 1.00 0.00 H new ATOM 0 HA MET A 35 3.710 1.926 -8.871 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.055 2.497 -11.175 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.883 4.184 -10.732 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.299 4.302 -10.202 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.479 2.608 -10.611 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.277 4.510 -13.572 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.199 5.024 -11.870 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.462 3.310 -12.271 1.00 0.00 H new ATOM 572 N VAL A 36 3.030 5.045 -7.996 1.00 0.00 N ATOM 573 CA VAL A 36 3.424 6.120 -7.090 1.00 0.00 C ATOM 574 C VAL A 36 3.380 5.640 -5.641 1.00 0.00 C ATOM 575 O VAL A 36 4.323 5.853 -4.875 1.00 0.00 O ATOM 576 CB VAL A 36 2.511 7.358 -7.248 1.00 0.00 C ATOM 577 CG1 VAL A 36 2.943 8.476 -6.310 1.00 0.00 C ATOM 578 CG2 VAL A 36 2.511 7.845 -8.689 1.00 0.00 C ATOM 0 H VAL A 36 2.175 5.229 -8.521 1.00 0.00 H new ATOM 0 HA VAL A 36 4.443 6.407 -7.349 1.00 0.00 H new ATOM 0 HB VAL A 36 1.496 7.063 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.285 9.335 -6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.885 8.128 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.969 8.766 -6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.863 8.717 -8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.525 8.116 -8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.145 7.052 -9.341 1.00 0.00 H new ATOM 588 N LEU A 37 2.288 4.972 -5.281 1.00 0.00 N ATOM 589 CA LEU A 37 2.122 4.432 -3.936 1.00 0.00 C ATOM 590 C LEU A 37 3.211 3.413 -3.623 1.00 0.00 C ATOM 591 O LEU A 37 3.683 3.332 -2.493 1.00 0.00 O ATOM 592 CB LEU A 37 0.745 3.779 -3.786 1.00 0.00 C ATOM 593 CG LEU A 37 -0.445 4.732 -3.904 1.00 0.00 C ATOM 594 CD1 LEU A 37 -1.752 3.955 -3.881 1.00 0.00 C ATOM 595 CD2 LEU A 37 -0.417 5.763 -2.786 1.00 0.00 C ATOM 0 H LEU A 37 1.502 4.791 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 37 2.203 5.259 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.645 3.003 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.699 3.285 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.373 5.257 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.589 4.648 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.774 3.255 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.831 3.404 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.271 6.432 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.465 5.256 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.505 6.341 -2.847 1.00 0.00 H new ATOM 607 N GLY A 38 3.609 2.645 -4.633 1.00 0.00 N ATOM 608 CA GLY A 38 4.654 1.655 -4.452 1.00 0.00 C ATOM 609 C GLY A 38 5.947 2.270 -3.965 1.00 0.00 C ATOM 610 O GLY A 38 6.505 1.837 -2.956 1.00 0.00 O ATOM 0 H GLY A 38 3.224 2.692 -5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.320 0.903 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.832 1.140 -5.396 1.00 0.00 H new ATOM 614 N ASN A 39 6.414 3.293 -4.670 1.00 0.00 N ATOM 615 CA ASN A 39 7.632 3.999 -4.281 1.00 0.00 C ATOM 616 C ASN A 39 7.437 4.679 -2.928 1.00 0.00 C ATOM 617 O ASN A 39 8.317 4.646 -2.067 1.00 0.00 O ATOM 618 CB ASN A 39 8.003 5.042 -5.339 1.00 0.00 C ATOM 619 CG ASN A 39 9.312 5.750 -5.032 1.00 0.00 C ATOM 620 OD1 ASN A 39 10.228 5.171 -4.450 1.00 0.00 O ATOM 621 ND2 ASN A 39 9.411 7.012 -5.424 1.00 0.00 N ATOM 0 H ASN A 39 5.969 3.653 -5.514 1.00 0.00 H new ATOM 0 HA ASN A 39 8.442 3.274 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.077 4.556 -6.312 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.204 5.780 -5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.268 7.536 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.630 7.460 -5.904 1.00 0.00 H new ATOM 628 N MET A 40 6.261 5.268 -2.748 1.00 0.00 N ATOM 629 CA MET A 40 5.925 5.987 -1.525 1.00 0.00 C ATOM 630 C MET A 40 5.978 5.067 -0.305 1.00 0.00 C ATOM 631 O MET A 40 6.644 5.375 0.685 1.00 0.00 O ATOM 632 CB MET A 40 4.532 6.607 -1.663 1.00 0.00 C ATOM 633 CG MET A 40 4.115 7.470 -0.485 1.00 0.00 C ATOM 634 SD MET A 40 2.487 8.204 -0.721 1.00 0.00 S ATOM 635 CE MET A 40 2.319 9.153 0.786 1.00 0.00 C ATOM 0 H MET A 40 5.515 5.261 -3.444 1.00 0.00 H new ATOM 0 HA MET A 40 6.662 6.776 -1.375 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.504 7.211 -2.570 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.802 5.808 -1.790 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.111 6.866 0.422 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.850 8.261 -0.338 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.358 9.667 0.787 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.374 8.484 1.645 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.123 9.887 0.845 1.00 0.00 H new ATOM 645 N VAL A 41 5.286 3.934 -0.386 1.00 0.00 N ATOM 646 CA VAL A 41 5.243 2.979 0.716 1.00 0.00 C ATOM 647 C VAL A 41 6.622 2.368 0.963 1.00 0.00 C ATOM 648 O VAL A 41 7.058 2.253 2.110 1.00 0.00 O ATOM 649 CB VAL A 41 4.212 1.854 0.454 1.00 0.00 C ATOM 650 CG1 VAL A 41 4.251 0.807 1.558 1.00 0.00 C ATOM 651 CG2 VAL A 41 2.809 2.432 0.331 1.00 0.00 C ATOM 0 H VAL A 41 4.746 3.655 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 41 4.933 3.529 1.605 1.00 0.00 H new ATOM 0 HB VAL A 41 4.478 1.371 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.517 0.029 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.246 0.364 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.018 1.277 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.098 1.626 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.544 2.945 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.778 3.139 -0.498 1.00 0.00 H new ATOM 661 N THR A 42 7.308 1.999 -0.114 1.00 0.00 N ATOM 662 CA THR A 42 8.640 1.417 -0.010 1.00 0.00 C ATOM 663 C THR A 42 9.600 2.374 0.695 1.00 0.00 C ATOM 664 O THR A 42 10.319 1.980 1.614 1.00 0.00 O ATOM 665 CB THR A 42 9.203 1.054 -1.398 1.00 0.00 C ATOM 666 OG1 THR A 42 8.335 0.116 -2.043 1.00 0.00 O ATOM 667 CG2 THR A 42 10.600 0.461 -1.286 1.00 0.00 C ATOM 0 H THR A 42 6.963 2.093 -1.069 1.00 0.00 H new ATOM 0 HA THR A 42 8.548 0.505 0.579 1.00 0.00 H new ATOM 0 HB THR A 42 9.264 1.968 -1.989 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.671 0.599 -2.578 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.972 0.215 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.267 1.186 -0.819 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.564 -0.443 -0.678 1.00 0.00 H new ATOM 675 N ASN A 43 9.591 3.634 0.270 1.00 0.00 N ATOM 676 CA ASN A 43 10.445 4.652 0.870 1.00 0.00 C ATOM 677 C ASN A 43 10.101 4.835 2.345 1.00 0.00 C ATOM 678 O ASN A 43 10.988 4.962 3.193 1.00 0.00 O ATOM 679 CB ASN A 43 10.292 5.984 0.128 1.00 0.00 C ATOM 680 CG ASN A 43 11.199 7.070 0.675 1.00 0.00 C ATOM 681 OD1 ASN A 43 12.298 6.798 1.157 1.00 0.00 O ATOM 682 ND2 ASN A 43 10.743 8.310 0.610 1.00 0.00 N ATOM 0 H ASN A 43 9.000 3.974 -0.489 1.00 0.00 H new ATOM 0 HA ASN A 43 11.480 4.321 0.789 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.511 5.833 -0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.256 6.315 0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.308 9.081 0.967 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.826 8.496 0.203 1.00 0.00 H new ATOM 689 N LEU A 44 8.805 4.829 2.642 1.00 0.00 N ATOM 690 CA LEU A 44 8.330 4.997 4.008 1.00 0.00 C ATOM 691 C LEU A 44 8.826 3.862 4.899 1.00 0.00 C ATOM 692 O LEU A 44 9.504 4.103 5.892 1.00 0.00 O ATOM 693 CB LEU A 44 6.799 5.062 4.036 1.00 0.00 C ATOM 694 CG LEU A 44 6.179 5.299 5.415 1.00 0.00 C ATOM 695 CD1 LEU A 44 6.622 6.641 5.979 1.00 0.00 C ATOM 696 CD2 LEU A 44 4.662 5.229 5.334 1.00 0.00 C ATOM 0 H LEU A 44 8.064 4.709 1.951 1.00 0.00 H new ATOM 0 HA LEU A 44 8.729 5.935 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.473 5.859 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.405 4.129 3.634 1.00 0.00 H new ATOM 0 HG LEU A 44 6.526 4.514 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.170 6.790 6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.708 6.655 6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.306 7.440 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.237 5.400 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.299 5.992 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.362 4.245 4.975 1.00 0.00 H new ATOM 708 N ILE A 45 8.510 2.625 4.527 1.00 0.00 N ATOM 709 CA ILE A 45 8.911 1.462 5.318 1.00 0.00 C ATOM 710 C ILE A 45 10.432 1.387 5.441 1.00 0.00 C ATOM 711 O ILE A 45 10.963 0.959 6.460 1.00 0.00 O ATOM 712 CB ILE A 45 8.375 0.144 4.710 1.00 0.00 C ATOM 713 CG1 ILE A 45 6.846 0.172 4.650 1.00 0.00 C ATOM 714 CG2 ILE A 45 8.851 -1.056 5.521 1.00 0.00 C ATOM 715 CD1 ILE A 45 6.236 -1.076 4.047 1.00 0.00 C ATOM 0 H ILE A 45 7.979 2.401 3.686 1.00 0.00 H new ATOM 0 HA ILE A 45 8.475 1.585 6.310 1.00 0.00 H new ATOM 0 HB ILE A 45 8.765 0.049 3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.454 0.306 5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.530 1.038 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.463 -1.973 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.941 -1.086 5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.490 -0.969 6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.150 -0.982 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.598 -1.201 3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.521 -1.944 4.642 1.00 0.00 H new ATOM 727 N ASN A 46 11.126 1.828 4.405 1.00 0.00 N ATOM 728 CA ASN A 46 12.583 1.807 4.395 1.00 0.00 C ATOM 729 C ASN A 46 13.152 2.775 5.434 1.00 0.00 C ATOM 730 O ASN A 46 13.942 2.384 6.294 1.00 0.00 O ATOM 731 CB ASN A 46 13.100 2.166 2.994 1.00 0.00 C ATOM 732 CG ASN A 46 14.593 1.934 2.810 1.00 0.00 C ATOM 733 OD1 ASN A 46 15.384 2.048 3.741 1.00 0.00 O ATOM 734 ND2 ASN A 46 14.989 1.604 1.588 1.00 0.00 N ATOM 0 H ASN A 46 10.704 2.206 3.557 1.00 0.00 H new ATOM 0 HA ASN A 46 12.916 0.802 4.653 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.557 1.577 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.877 3.214 2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.977 1.437 1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.305 1.518 0.836 1.00 0.00 H new ATOM 741 N THR A 47 12.715 4.026 5.384 1.00 0.00 N ATOM 742 CA THR A 47 13.370 5.079 6.150 1.00 0.00 C ATOM 743 C THR A 47 12.608 5.471 7.420 1.00 0.00 C ATOM 744 O THR A 47 12.970 6.446 8.080 1.00 0.00 O ATOM 745 CB THR A 47 13.578 6.333 5.279 1.00 0.00 C ATOM 746 OG1 THR A 47 12.328 6.766 4.719 1.00 0.00 O ATOM 747 CG2 THR A 47 14.566 6.053 4.159 1.00 0.00 C ATOM 0 H THR A 47 11.918 4.335 4.827 1.00 0.00 H new ATOM 0 HA THR A 47 14.331 4.668 6.460 1.00 0.00 H new ATOM 0 HB THR A 47 13.980 7.122 5.915 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.008 6.098 4.078 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.698 6.952 3.557 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.525 5.758 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.185 5.248 3.531 1.00 0.00 H new ATOM 755 N SER A 48 11.569 4.726 7.776 1.00 0.00 N ATOM 756 CA SER A 48 10.793 5.061 8.965 1.00 0.00 C ATOM 757 C SER A 48 10.985 4.023 10.071 1.00 0.00 C ATOM 758 O SER A 48 10.395 4.138 11.147 1.00 0.00 O ATOM 759 CB SER A 48 9.306 5.198 8.618 1.00 0.00 C ATOM 760 OG SER A 48 8.569 5.732 9.704 1.00 0.00 O ATOM 0 H SER A 48 11.248 3.901 7.270 1.00 0.00 H new ATOM 0 HA SER A 48 11.158 6.018 9.337 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.192 5.843 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.903 4.222 8.347 1.00 0.00 H new ATOM 0 HG SER A 48 8.885 5.333 10.541 1.00 0.00 H new ATOM 766 N ILE A 49 11.801 3.011 9.812 1.00 0.00 N ATOM 767 CA ILE A 49 12.080 1.993 10.796 1.00 0.00 C ATOM 768 C ILE A 49 13.520 1.494 10.632 1.00 0.00 C ATOM 769 O ILE A 49 14.134 1.698 9.581 1.00 0.00 O ATOM 770 CB ILE A 49 11.073 0.824 10.664 1.00 0.00 C ATOM 771 CG1 ILE A 49 11.262 -0.180 11.786 1.00 0.00 C ATOM 772 CG2 ILE A 49 11.212 0.137 9.318 1.00 0.00 C ATOM 773 CD1 ILE A 49 10.781 0.311 13.134 1.00 0.00 C ATOM 0 H ILE A 49 12.280 2.879 8.921 1.00 0.00 H new ATOM 0 HA ILE A 49 11.971 2.421 11.793 1.00 0.00 H new ATOM 0 HB ILE A 49 10.068 1.241 10.736 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.730 -1.097 11.533 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.319 -0.434 11.859 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.494 -0.680 9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.020 0.856 8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.222 -0.259 9.214 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.950 -0.462 13.884 1.00 0.00 H new ATOM 0 HD12 ILE A 49 11.330 1.211 13.410 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.716 0.538 13.080 1.00 0.00 H new ATOM 785 N ALA A 50 14.055 0.874 11.684 1.00 0.00 N ATOM 786 CA ALA A 50 15.423 0.357 11.690 1.00 0.00 C ATOM 787 C ALA A 50 15.704 -0.552 10.486 1.00 0.00 C ATOM 788 O ALA A 50 14.802 -1.226 9.978 1.00 0.00 O ATOM 789 CB ALA A 50 15.685 -0.385 12.992 1.00 0.00 C ATOM 0 H ALA A 50 13.551 0.716 12.557 1.00 0.00 H new ATOM 0 HA ALA A 50 16.101 1.207 11.611 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.705 -0.769 12.993 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.553 0.297 13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 50 14.985 -1.215 13.085 1.00 0.00 H new ATOM 795 N PRO A 51 16.976 -0.583 10.034 1.00 0.00 N ATOM 796 CA PRO A 51 17.402 -1.292 8.815 1.00 0.00 C ATOM 797 C PRO A 51 16.942 -2.748 8.730 1.00 0.00 C ATOM 798 O PRO A 51 16.607 -3.231 7.650 1.00 0.00 O ATOM 799 CB PRO A 51 18.936 -1.230 8.867 1.00 0.00 C ATOM 800 CG PRO A 51 19.276 -0.742 10.235 1.00 0.00 C ATOM 801 CD PRO A 51 18.113 0.094 10.672 1.00 0.00 C ATOM 0 HA PRO A 51 16.957 -0.823 7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.374 -2.211 8.682 1.00 0.00 H new ATOM 0 HB3 PRO A 51 19.326 -0.557 8.103 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.437 -1.576 10.919 1.00 0.00 H new ATOM 0 HG3 PRO A 51 20.196 -0.157 10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.015 0.116 11.757 1.00 0.00 H new ATOM 0 HD3 PRO A 51 18.209 1.128 10.339 1.00 0.00 H new ATOM 809 N ALA A 52 16.926 -3.446 9.855 1.00 0.00 N ATOM 810 CA ALA A 52 16.556 -4.855 9.859 1.00 0.00 C ATOM 811 C ALA A 52 15.045 -5.018 9.949 1.00 0.00 C ATOM 812 O ALA A 52 14.452 -5.876 9.290 1.00 0.00 O ATOM 813 CB ALA A 52 17.235 -5.575 11.013 1.00 0.00 C ATOM 0 H ALA A 52 17.163 -3.065 10.771 1.00 0.00 H new ATOM 0 HA ALA A 52 16.891 -5.299 8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.950 -6.627 11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.317 -5.492 10.908 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.926 -5.123 11.956 1.00 0.00 H new ATOM 819 N GLN A 53 14.425 -4.166 10.749 1.00 0.00 N ATOM 820 CA GLN A 53 13.003 -4.268 11.027 1.00 0.00 C ATOM 821 C GLN A 53 12.153 -3.912 9.813 1.00 0.00 C ATOM 822 O GLN A 53 10.991 -4.301 9.742 1.00 0.00 O ATOM 823 CB GLN A 53 12.611 -3.383 12.214 1.00 0.00 C ATOM 824 CG GLN A 53 12.998 -3.953 13.574 1.00 0.00 C ATOM 825 CD GLN A 53 14.437 -3.673 13.980 1.00 0.00 C ATOM 826 OE1 GLN A 53 15.332 -3.543 13.146 1.00 0.00 O ATOM 827 NE2 GLN A 53 14.663 -3.566 15.278 1.00 0.00 N ATOM 0 H GLN A 53 14.890 -3.390 11.221 1.00 0.00 H new ATOM 0 HA GLN A 53 12.807 -5.310 11.279 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.080 -2.406 12.095 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.533 -3.223 12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.332 -3.540 14.331 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.839 -5.031 13.562 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.896 -3.680 15.940 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.605 -3.369 15.617 1.00 0.00 H new ATOM 836 N ARG A 54 12.723 -3.188 8.855 1.00 0.00 N ATOM 837 CA ARG A 54 11.977 -2.809 7.656 1.00 0.00 C ATOM 838 C ARG A 54 11.554 -4.045 6.866 1.00 0.00 C ATOM 839 O ARG A 54 10.516 -4.047 6.205 1.00 0.00 O ATOM 840 CB ARG A 54 12.792 -1.860 6.769 1.00 0.00 C ATOM 841 CG ARG A 54 14.054 -2.473 6.191 1.00 0.00 C ATOM 842 CD ARG A 54 14.812 -1.474 5.331 1.00 0.00 C ATOM 843 NE ARG A 54 15.167 -0.272 6.081 1.00 0.00 N ATOM 844 CZ ARG A 54 16.390 0.251 6.114 1.00 0.00 C ATOM 845 NH1 ARG A 54 17.366 -0.289 5.390 1.00 0.00 N ATOM 846 NH2 ARG A 54 16.626 1.326 6.853 1.00 0.00 N ATOM 0 H ARG A 54 13.687 -2.855 8.882 1.00 0.00 H new ATOM 0 HA ARG A 54 11.080 -2.281 7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.161 -1.516 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.064 -0.980 7.352 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.696 -2.819 7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.795 -3.347 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.717 -1.941 4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.202 -1.199 4.471 1.00 0.00 H new ATOM 0 HE ARG A 54 14.432 0.195 6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.178 -1.105 4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.303 0.113 5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.871 1.749 7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.562 1.730 6.881 1.00 0.00 H new ATOM 860 N GLN A 55 12.345 -5.105 6.958 1.00 0.00 N ATOM 861 CA GLN A 55 12.019 -6.350 6.280 1.00 0.00 C ATOM 862 C GLN A 55 10.937 -7.099 7.045 1.00 0.00 C ATOM 863 O GLN A 55 10.112 -7.799 6.453 1.00 0.00 O ATOM 864 CB GLN A 55 13.267 -7.221 6.130 1.00 0.00 C ATOM 865 CG GLN A 55 14.346 -6.603 5.250 1.00 0.00 C ATOM 866 CD GLN A 55 14.045 -6.684 3.760 1.00 0.00 C ATOM 867 OE1 GLN A 55 12.772 -6.656 3.390 1.00 0.00 O flip ATOM 868 NE2 GLN A 55 14.958 -6.767 2.943 1.00 0.00 N flip ATOM 0 H GLN A 55 13.213 -5.127 7.493 1.00 0.00 H new ATOM 0 HA GLN A 55 11.642 -6.115 5.285 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.684 -7.415 7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.978 -8.185 5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.474 -5.557 5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.294 -7.104 5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.927 -6.786 3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.747 -6.817 1.946 1.00 0.00 H new ATOM 877 N ALA A 56 10.934 -6.931 8.362 1.00 0.00 N ATOM 878 CA ALA A 56 9.911 -7.529 9.203 1.00 0.00 C ATOM 879 C ALA A 56 8.586 -6.801 9.007 1.00 0.00 C ATOM 880 O ALA A 56 7.535 -7.428 8.884 1.00 0.00 O ATOM 881 CB ALA A 56 10.334 -7.493 10.664 1.00 0.00 C ATOM 0 H ALA A 56 11.630 -6.385 8.869 1.00 0.00 H new ATOM 0 HA ALA A 56 9.782 -8.572 8.914 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.556 -7.945 11.279 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.263 -8.049 10.788 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.486 -6.459 10.973 1.00 0.00 H new ATOM 887 N ILE A 57 8.654 -5.475 8.959 1.00 0.00 N ATOM 888 CA ILE A 57 7.476 -4.648 8.723 1.00 0.00 C ATOM 889 C ILE A 57 6.874 -4.956 7.356 1.00 0.00 C ATOM 890 O ILE A 57 5.661 -5.092 7.225 1.00 0.00 O ATOM 891 CB ILE A 57 7.807 -3.138 8.815 1.00 0.00 C ATOM 892 CG1 ILE A 57 8.336 -2.785 10.211 1.00 0.00 C ATOM 893 CG2 ILE A 57 6.583 -2.292 8.481 1.00 0.00 C ATOM 894 CD1 ILE A 57 7.371 -3.106 11.332 1.00 0.00 C ATOM 0 H ILE A 57 9.518 -4.947 9.081 1.00 0.00 H new ATOM 0 HA ILE A 57 6.752 -4.886 9.503 1.00 0.00 H new ATOM 0 HB ILE A 57 8.585 -2.918 8.084 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.268 -3.323 10.382 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.572 -1.721 10.241 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.841 -1.235 8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.251 -2.517 7.467 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.781 -2.518 9.184 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.817 -2.828 12.287 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.446 -2.547 11.187 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.154 -4.174 11.330 1.00 0.00 H new ATOM 906 N ALA A 58 7.731 -5.088 6.347 1.00 0.00 N ATOM 907 CA ALA A 58 7.284 -5.415 4.995 1.00 0.00 C ATOM 908 C ALA A 58 6.509 -6.731 4.972 1.00 0.00 C ATOM 909 O ALA A 58 5.467 -6.841 4.325 1.00 0.00 O ATOM 910 CB ALA A 58 8.472 -5.487 4.049 1.00 0.00 C ATOM 0 H ALA A 58 8.740 -4.973 6.440 1.00 0.00 H new ATOM 0 HA ALA A 58 6.613 -4.623 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.124 -5.731 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.982 -4.524 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.163 -6.257 4.391 1.00 0.00 H new ATOM 916 N ASN A 59 7.014 -7.724 5.692 1.00 0.00 N ATOM 917 CA ASN A 59 6.359 -9.028 5.751 1.00 0.00 C ATOM 918 C ASN A 59 5.101 -8.972 6.613 1.00 0.00 C ATOM 919 O ASN A 59 4.149 -9.719 6.390 1.00 0.00 O ATOM 920 CB ASN A 59 7.320 -10.099 6.275 1.00 0.00 C ATOM 921 CG ASN A 59 8.196 -10.678 5.177 1.00 0.00 C ATOM 922 OD1 ASN A 59 7.827 -11.658 4.530 1.00 0.00 O ATOM 923 ND2 ASN A 59 9.362 -10.086 4.963 1.00 0.00 N ATOM 0 H ASN A 59 7.871 -7.654 6.241 1.00 0.00 H new ATOM 0 HA ASN A 59 6.064 -9.297 4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.952 -9.668 7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.747 -10.901 6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.989 -10.441 4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.632 -9.276 5.520 1.00 0.00 H new ATOM 930 N SER A 60 5.097 -8.085 7.596 1.00 0.00 N ATOM 931 CA SER A 60 3.921 -7.885 8.430 1.00 0.00 C ATOM 932 C SER A 60 2.837 -7.155 7.641 1.00 0.00 C ATOM 933 O SER A 60 1.646 -7.435 7.789 1.00 0.00 O ATOM 934 CB SER A 60 4.293 -7.101 9.691 1.00 0.00 C ATOM 935 OG SER A 60 5.316 -7.766 10.414 1.00 0.00 O ATOM 0 H SER A 60 5.892 -7.493 7.836 1.00 0.00 H new ATOM 0 HA SER A 60 3.532 -8.857 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.627 -6.100 9.417 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.413 -6.982 10.323 1.00 0.00 H new ATOM 0 HG SER A 60 6.130 -7.805 9.869 1.00 0.00 H new ATOM 941 N PHE A 61 3.266 -6.233 6.785 1.00 0.00 N ATOM 942 CA PHE A 61 2.357 -5.507 5.911 1.00 0.00 C ATOM 943 C PHE A 61 1.703 -6.469 4.929 1.00 0.00 C ATOM 944 O PHE A 61 0.515 -6.359 4.645 1.00 0.00 O ATOM 945 CB PHE A 61 3.110 -4.405 5.156 1.00 0.00 C ATOM 946 CG PHE A 61 2.224 -3.531 4.311 1.00 0.00 C ATOM 947 CD1 PHE A 61 1.495 -2.504 4.885 1.00 0.00 C ATOM 948 CD2 PHE A 61 2.120 -3.740 2.944 1.00 0.00 C ATOM 949 CE1 PHE A 61 0.679 -1.699 4.113 1.00 0.00 C ATOM 950 CE2 PHE A 61 1.306 -2.937 2.166 1.00 0.00 C ATOM 951 CZ PHE A 61 0.585 -1.915 2.753 1.00 0.00 C ATOM 0 H PHE A 61 4.246 -5.971 6.679 1.00 0.00 H new ATOM 0 HA PHE A 61 1.581 -5.041 6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.639 -3.781 5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.865 -4.865 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.565 -2.330 5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.681 -4.539 2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.115 -0.901 4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.234 -3.108 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.051 -1.286 2.148 1.00 0.00 H new ATOM 961 N ALA A 62 2.487 -7.420 4.427 1.00 0.00 N ATOM 962 CA ALA A 62 1.970 -8.450 3.533 1.00 0.00 C ATOM 963 C ALA A 62 0.884 -9.267 4.229 1.00 0.00 C ATOM 964 O ALA A 62 -0.169 -9.535 3.652 1.00 0.00 O ATOM 965 CB ALA A 62 3.092 -9.356 3.053 1.00 0.00 C ATOM 0 H ALA A 62 3.485 -7.498 4.625 1.00 0.00 H new ATOM 0 HA ALA A 62 1.530 -7.960 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.685 -10.117 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.834 -8.764 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.563 -9.837 3.910 1.00 0.00 H new ATOM 971 N ARG A 63 1.149 -9.646 5.477 1.00 0.00 N ATOM 972 CA ARG A 63 0.175 -10.369 6.292 1.00 0.00 C ATOM 973 C ARG A 63 -1.114 -9.564 6.444 1.00 0.00 C ATOM 974 O ARG A 63 -2.213 -10.113 6.383 1.00 0.00 O ATOM 975 CB ARG A 63 0.756 -10.666 7.678 1.00 0.00 C ATOM 976 CG ARG A 63 1.819 -11.753 7.688 1.00 0.00 C ATOM 977 CD ARG A 63 2.586 -11.755 9.004 1.00 0.00 C ATOM 978 NE ARG A 63 3.470 -12.915 9.145 1.00 0.00 N ATOM 979 CZ ARG A 63 4.633 -13.064 8.512 1.00 0.00 C ATOM 980 NH1 ARG A 63 5.028 -12.181 7.605 1.00 0.00 N ATOM 981 NH2 ARG A 63 5.398 -14.115 8.771 1.00 0.00 N ATOM 0 H ARG A 63 2.035 -9.463 5.948 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.054 -11.307 5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.185 -9.750 8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.055 -10.960 8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.351 -12.725 7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.511 -11.598 6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.178 -10.842 9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.877 -11.741 9.832 1.00 0.00 H new ATOM 0 HE ARG A 63 3.174 -13.662 9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.440 -11.377 7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.920 -12.305 7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.096 -14.809 9.455 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.288 -14.229 8.287 1.00 0.00 H new ATOM 995 N ALA A 64 -0.965 -8.261 6.643 1.00 0.00 N ATOM 996 CA ALA A 64 -2.109 -7.374 6.810 1.00 0.00 C ATOM 997 C ALA A 64 -2.852 -7.183 5.492 1.00 0.00 C ATOM 998 O ALA A 64 -4.081 -7.232 5.451 1.00 0.00 O ATOM 999 CB ALA A 64 -1.659 -6.033 7.367 1.00 0.00 C ATOM 0 H ALA A 64 -0.060 -7.793 6.693 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.796 -7.835 7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.524 -5.380 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.181 -6.183 8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.949 -5.573 6.679 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.097 -6.989 4.421 1.00 0.00 N ATOM 1006 CA LEU A 65 -2.671 -6.752 3.100 1.00 0.00 C ATOM 1007 C LEU A 65 -3.504 -7.947 2.646 1.00 0.00 C ATOM 1008 O LEU A 65 -4.580 -7.786 2.075 1.00 0.00 O ATOM 1009 CB LEU A 65 -1.554 -6.473 2.089 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.022 -5.993 0.713 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -2.698 -4.635 0.824 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -0.847 -5.926 -0.251 1.00 0.00 C ATOM 0 H LEU A 65 -1.077 -6.991 4.439 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.327 -5.883 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.885 -5.722 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.969 -7.383 1.958 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.748 -6.707 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.024 -4.309 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.562 -4.711 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.993 -3.910 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.195 -5.583 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.101 -5.231 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.403 -6.916 -0.352 1.00 0.00 H new ATOM 1024 N GLN A 66 -3.011 -9.149 2.921 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.714 -10.370 2.530 1.00 0.00 C ATOM 1026 C GLN A 66 -4.951 -10.610 3.395 1.00 0.00 C ATOM 1027 O GLN A 66 -5.786 -11.453 3.068 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.783 -11.579 2.605 1.00 0.00 C ATOM 1029 CG GLN A 66 -1.746 -11.628 1.492 1.00 0.00 C ATOM 1030 CD GLN A 66 -0.819 -12.822 1.613 1.00 0.00 C ATOM 1031 OE1 GLN A 66 -0.360 -13.340 0.482 1.00 0.00 O flip ATOM 1032 NE2 GLN A 66 -0.526 -13.286 2.714 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.131 -9.307 3.411 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.042 -10.238 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.270 -11.571 3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.382 -12.489 2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.254 -11.663 0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.156 -10.711 1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.899 -12.860 3.563 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.090 -14.097 2.778 1.00 0.00 H new ATOM 1041 N SER A 67 -5.064 -9.894 4.507 1.00 0.00 N ATOM 1042 CA SER A 67 -6.229 -10.026 5.369 1.00 0.00 C ATOM 1043 C SER A 67 -7.245 -8.921 5.103 1.00 0.00 C ATOM 1044 O SER A 67 -8.431 -9.071 5.392 1.00 0.00 O ATOM 1045 CB SER A 67 -5.819 -10.048 6.849 1.00 0.00 C ATOM 1046 OG SER A 67 -5.107 -8.877 7.217 1.00 0.00 O ATOM 0 H SER A 67 -4.369 -9.221 4.830 1.00 0.00 H new ATOM 0 HA SER A 67 -6.706 -10.978 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.709 -10.143 7.471 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.201 -10.925 7.042 1.00 0.00 H new ATOM 0 HG SER A 67 -5.142 -8.229 6.483 1.00 0.00 H new ATOM 1052 N SER A 68 -6.779 -7.801 4.553 1.00 0.00 N ATOM 1053 CA SER A 68 -7.658 -6.680 4.251 1.00 0.00 C ATOM 1054 C SER A 68 -8.228 -6.806 2.844 1.00 0.00 C ATOM 1055 O SER A 68 -9.208 -6.147 2.494 1.00 0.00 O ATOM 1056 CB SER A 68 -6.902 -5.358 4.413 1.00 0.00 C ATOM 1057 OG SER A 68 -5.678 -5.371 3.694 1.00 0.00 O ATOM 0 H SER A 68 -5.800 -7.649 4.309 1.00 0.00 H new ATOM 0 HA SER A 68 -8.491 -6.692 4.954 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.524 -4.535 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.703 -5.177 5.469 1.00 0.00 H new ATOM 0 HG SER A 68 -5.605 -4.554 3.157 1.00 0.00 H new ATOM 1063 N ILE A 69 -7.609 -7.653 2.038 1.00 0.00 N ATOM 1064 CA ILE A 69 -8.066 -7.883 0.680 1.00 0.00 C ATOM 1065 C ILE A 69 -8.479 -9.335 0.492 1.00 0.00 C ATOM 1066 O ILE A 69 -7.725 -10.252 0.815 1.00 0.00 O ATOM 1067 CB ILE A 69 -6.977 -7.522 -0.356 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -6.614 -6.040 -0.243 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -7.441 -7.855 -1.769 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -5.542 -5.604 -1.215 1.00 0.00 C ATOM 0 H ILE A 69 -6.786 -8.194 2.303 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.927 -7.235 0.516 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.088 -8.117 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.509 -5.441 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.277 -5.833 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.658 -7.592 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.653 -8.922 -1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.344 -7.289 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.336 -4.542 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.632 -6.176 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.883 -5.778 -2.235 1.00 0.00 H new ATOM 1442 N SER B 8 4.741 9.738 -17.270 1.00 0.00 N ATOM 1443 CA SER B 8 4.912 11.176 -17.164 1.00 0.00 C ATOM 1444 C SER B 8 5.430 11.543 -15.774 1.00 0.00 C ATOM 1445 O SER B 8 4.661 11.622 -14.814 1.00 0.00 O ATOM 1446 CB SER B 8 3.582 11.876 -17.443 1.00 0.00 C ATOM 1447 OG SER B 8 2.999 11.385 -18.640 1.00 0.00 O ATOM 0 HA SER B 8 5.644 11.506 -17.902 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.899 11.717 -16.608 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.741 12.951 -17.524 1.00 0.00 H new ATOM 0 HG SER B 8 3.221 10.437 -18.747 1.00 0.00 H new ATOM 1453 N ASP B 9 6.741 11.743 -15.676 1.00 0.00 N ATOM 1454 CA ASP B 9 7.397 12.007 -14.397 1.00 0.00 C ATOM 1455 C ASP B 9 6.829 13.257 -13.739 1.00 0.00 C ATOM 1456 O ASP B 9 6.675 13.305 -12.524 1.00 0.00 O ATOM 1457 CB ASP B 9 8.911 12.151 -14.585 1.00 0.00 C ATOM 1458 CG ASP B 9 9.293 13.404 -15.351 1.00 0.00 C ATOM 1459 OD1 ASP B 9 9.018 13.471 -16.567 1.00 0.00 O ATOM 1460 OD2 ASP B 9 9.870 14.326 -14.738 1.00 0.00 O ATOM 0 H ASP B 9 7.376 11.727 -16.474 1.00 0.00 H new ATOM 0 HA ASP B 9 7.205 11.157 -13.742 1.00 0.00 H new ATOM 0 HB2 ASP B 9 9.394 12.167 -13.608 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.291 11.277 -15.114 1.00 0.00 H new ATOM 1465 N GLU B 10 6.495 14.251 -14.554 1.00 0.00 N ATOM 1466 CA GLU B 10 5.898 15.492 -14.068 1.00 0.00 C ATOM 1467 C GLU B 10 4.627 15.215 -13.271 1.00 0.00 C ATOM 1468 O GLU B 10 4.377 15.834 -12.237 1.00 0.00 O ATOM 1469 CB GLU B 10 5.575 16.402 -15.247 1.00 0.00 C ATOM 1470 CG GLU B 10 6.797 16.817 -16.044 1.00 0.00 C ATOM 1471 CD GLU B 10 6.433 17.480 -17.353 1.00 0.00 C ATOM 1472 OE1 GLU B 10 5.694 18.488 -17.331 1.00 0.00 O ATOM 1473 OE2 GLU B 10 6.893 17.003 -18.409 1.00 0.00 O ATOM 0 H GLU B 10 6.629 14.221 -15.565 1.00 0.00 H new ATOM 0 HA GLU B 10 6.615 15.982 -13.409 1.00 0.00 H new ATOM 0 HB2 GLU B 10 4.876 15.891 -15.909 1.00 0.00 H new ATOM 0 HB3 GLU B 10 5.071 17.295 -14.879 1.00 0.00 H new ATOM 0 HG2 GLU B 10 7.401 17.502 -15.448 1.00 0.00 H new ATOM 0 HG3 GLU B 10 7.413 15.940 -16.243 1.00 0.00 H new ATOM 1480 N GLN B 11 3.838 14.266 -13.755 1.00 0.00 N ATOM 1481 CA GLN B 11 2.584 13.913 -13.110 1.00 0.00 C ATOM 1482 C GLN B 11 2.858 13.120 -11.834 1.00 0.00 C ATOM 1483 O GLN B 11 2.179 13.294 -10.820 1.00 0.00 O ATOM 1484 CB GLN B 11 1.715 13.103 -14.074 1.00 0.00 C ATOM 1485 CG GLN B 11 0.291 12.884 -13.592 1.00 0.00 C ATOM 1486 CD GLN B 11 -0.547 12.115 -14.594 1.00 0.00 C ATOM 1487 OE1 GLN B 11 -0.037 11.275 -15.338 1.00 0.00 O ATOM 1488 NE2 GLN B 11 -1.838 12.401 -14.631 1.00 0.00 N ATOM 0 H GLN B 11 4.046 13.726 -14.595 1.00 0.00 H new ATOM 0 HA GLN B 11 2.048 14.823 -12.841 1.00 0.00 H new ATOM 0 HB2 GLN B 11 1.687 13.613 -15.037 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.184 12.133 -14.241 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.310 12.342 -12.646 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -0.176 13.849 -13.397 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -2.223 13.103 -13.999 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -2.448 11.920 -15.292 1.00 0.00 H new ATOM 1497 N VAL B 12 3.871 12.262 -11.894 1.00 0.00 N ATOM 1498 CA VAL B 12 4.284 11.471 -10.740 1.00 0.00 C ATOM 1499 C VAL B 12 4.800 12.381 -9.627 1.00 0.00 C ATOM 1500 O VAL B 12 4.397 12.250 -8.469 1.00 0.00 O ATOM 1501 CB VAL B 12 5.380 10.450 -11.118 1.00 0.00 C ATOM 1502 CG1 VAL B 12 5.807 9.632 -9.908 1.00 0.00 C ATOM 1503 CG2 VAL B 12 4.898 9.538 -12.236 1.00 0.00 C ATOM 0 H VAL B 12 4.424 12.096 -12.735 1.00 0.00 H new ATOM 0 HA VAL B 12 3.409 10.925 -10.388 1.00 0.00 H new ATOM 0 HB VAL B 12 6.249 11.005 -11.473 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.579 8.922 -10.203 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.201 10.297 -9.140 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.947 9.090 -9.513 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.683 8.826 -12.489 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.010 8.998 -11.908 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.655 10.136 -13.114 1.00 0.00 H new ATOM 1513 N GLU B 13 5.681 13.307 -9.995 1.00 0.00 N ATOM 1514 CA GLU B 13 6.226 14.283 -9.056 1.00 0.00 C ATOM 1515 C GLU B 13 5.107 15.078 -8.404 1.00 0.00 C ATOM 1516 O GLU B 13 5.089 15.262 -7.187 1.00 0.00 O ATOM 1517 CB GLU B 13 7.177 15.242 -9.775 1.00 0.00 C ATOM 1518 CG GLU B 13 8.405 14.565 -10.358 1.00 0.00 C ATOM 1519 CD GLU B 13 9.294 13.963 -9.296 1.00 0.00 C ATOM 1520 OE1 GLU B 13 10.074 14.715 -8.673 1.00 0.00 O ATOM 1521 OE2 GLU B 13 9.224 12.738 -9.078 1.00 0.00 O ATOM 0 H GLU B 13 6.036 13.402 -10.947 1.00 0.00 H new ATOM 0 HA GLU B 13 6.775 13.741 -8.286 1.00 0.00 H new ATOM 0 HB2 GLU B 13 6.635 15.743 -10.577 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.497 16.014 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.091 13.783 -11.050 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.976 15.291 -10.936 1.00 0.00 H new ATOM 1528 N GLN B 14 4.170 15.537 -9.227 1.00 0.00 N ATOM 1529 CA GLN B 14 3.042 16.320 -8.747 1.00 0.00 C ATOM 1530 C GLN B 14 2.227 15.522 -7.734 1.00 0.00 C ATOM 1531 O GLN B 14 1.958 15.998 -6.635 1.00 0.00 O ATOM 1532 CB GLN B 14 2.162 16.754 -9.922 1.00 0.00 C ATOM 1533 CG GLN B 14 1.043 17.714 -9.541 1.00 0.00 C ATOM 1534 CD GLN B 14 1.546 19.052 -9.021 1.00 0.00 C ATOM 1535 OE1 GLN B 14 2.608 19.143 -8.407 1.00 0.00 O ATOM 1536 NE2 GLN B 14 0.789 20.105 -9.277 1.00 0.00 N ATOM 0 H GLN B 14 4.172 15.378 -10.235 1.00 0.00 H new ATOM 0 HA GLN B 14 3.424 17.212 -8.250 1.00 0.00 H new ATOM 0 HB2 GLN B 14 2.790 17.227 -10.677 1.00 0.00 H new ATOM 0 HB3 GLN B 14 1.725 15.867 -10.381 1.00 0.00 H new ATOM 0 HG2 GLN B 14 0.410 17.886 -10.411 1.00 0.00 H new ATOM 0 HG3 GLN B 14 0.418 17.248 -8.779 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -0.086 19.992 -9.789 1.00 0.00 H new ATOM 0 HE22 GLN B 14 1.080 21.031 -8.963 1.00 0.00 H new ATOM 1545 N LEU B 15 1.854 14.298 -8.103 1.00 0.00 N ATOM 1546 CA LEU B 15 1.087 13.429 -7.214 1.00 0.00 C ATOM 1547 C LEU B 15 1.826 13.195 -5.901 1.00 0.00 C ATOM 1548 O LEU B 15 1.238 13.295 -4.824 1.00 0.00 O ATOM 1549 CB LEU B 15 0.796 12.085 -7.889 1.00 0.00 C ATOM 1550 CG LEU B 15 -0.602 11.942 -8.496 1.00 0.00 C ATOM 1551 CD1 LEU B 15 -0.845 12.991 -9.570 1.00 0.00 C ATOM 1552 CD2 LEU B 15 -0.790 10.545 -9.065 1.00 0.00 C ATOM 0 H LEU B 15 2.070 13.886 -9.011 1.00 0.00 H new ATOM 0 HA LEU B 15 0.144 13.931 -6.998 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.533 11.926 -8.676 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.938 11.291 -7.155 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.333 12.100 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.846 12.864 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.756 13.986 -9.134 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.108 12.876 -10.365 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.789 10.458 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.046 10.365 -9.841 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.671 9.809 -8.270 1.00 0.00 H new ATOM 1564 N LEU B 16 3.117 12.901 -5.999 1.00 0.00 N ATOM 1565 CA LEU B 16 3.935 12.650 -4.820 1.00 0.00 C ATOM 1566 C LEU B 16 3.959 13.875 -3.910 1.00 0.00 C ATOM 1567 O LEU B 16 3.737 13.769 -2.704 1.00 0.00 O ATOM 1568 CB LEU B 16 5.363 12.281 -5.234 1.00 0.00 C ATOM 1569 CG LEU B 16 6.280 11.838 -4.092 1.00 0.00 C ATOM 1570 CD1 LEU B 16 5.813 10.508 -3.520 1.00 0.00 C ATOM 1571 CD2 LEU B 16 7.719 11.740 -4.572 1.00 0.00 C ATOM 0 H LEU B 16 3.620 12.831 -6.884 1.00 0.00 H new ATOM 0 HA LEU B 16 3.496 11.817 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.315 11.479 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.815 13.141 -5.728 1.00 0.00 H new ATOM 0 HG LEU B 16 6.233 12.587 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU B 16 6.476 10.208 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU B 16 4.797 10.613 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU B 16 5.830 9.749 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU B 16 8.357 11.424 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU B 16 7.784 11.012 -5.381 1.00 0.00 H new ATOM 0 HD23 LEU B 16 8.049 12.714 -4.933 1.00 0.00 H new ATOM 1583 N ALA B 17 4.209 15.037 -4.505 1.00 0.00 N ATOM 1584 CA ALA B 17 4.281 16.288 -3.761 1.00 0.00 C ATOM 1585 C ALA B 17 2.955 16.601 -3.076 1.00 0.00 C ATOM 1586 O ALA B 17 2.930 17.071 -1.938 1.00 0.00 O ATOM 1587 CB ALA B 17 4.680 17.427 -4.686 1.00 0.00 C ATOM 0 H ALA B 17 4.366 15.137 -5.508 1.00 0.00 H new ATOM 0 HA ALA B 17 5.040 16.177 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA B 17 4.730 18.356 -4.118 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.656 17.216 -5.123 1.00 0.00 H new ATOM 0 HB3 ALA B 17 3.940 17.527 -5.480 1.00 0.00 H new ATOM 1593 N GLU B 18 1.858 16.339 -3.775 1.00 0.00 N ATOM 1594 CA GLU B 18 0.523 16.552 -3.227 1.00 0.00 C ATOM 1595 C GLU B 18 0.282 15.646 -2.019 1.00 0.00 C ATOM 1596 O GLU B 18 -0.124 16.112 -0.954 1.00 0.00 O ATOM 1597 CB GLU B 18 -0.533 16.278 -4.299 1.00 0.00 C ATOM 1598 CG GLU B 18 -0.487 17.229 -5.485 1.00 0.00 C ATOM 1599 CD GLU B 18 -1.236 18.521 -5.243 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -0.777 19.346 -4.428 1.00 0.00 O ATOM 1601 OE2 GLU B 18 -2.289 18.724 -5.888 1.00 0.00 O ATOM 0 H GLU B 18 1.866 15.976 -4.728 1.00 0.00 H new ATOM 0 HA GLU B 18 0.447 17.590 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.408 15.258 -4.662 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -1.521 16.335 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.553 17.458 -5.719 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -0.908 16.731 -6.358 1.00 0.00 H new ATOM 1608 N LEU B 19 0.559 14.355 -2.188 1.00 0.00 N ATOM 1609 CA LEU B 19 0.324 13.366 -1.136 1.00 0.00 C ATOM 1610 C LEU B 19 1.159 13.662 0.108 1.00 0.00 C ATOM 1611 O LEU B 19 0.656 13.605 1.232 1.00 0.00 O ATOM 1612 CB LEU B 19 0.636 11.956 -1.648 1.00 0.00 C ATOM 1613 CG LEU B 19 -0.245 11.471 -2.803 1.00 0.00 C ATOM 1614 CD1 LEU B 19 0.211 10.103 -3.283 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -1.706 11.426 -2.380 1.00 0.00 C ATOM 0 H LEU B 19 0.948 13.967 -3.047 1.00 0.00 H new ATOM 0 HA LEU B 19 -0.729 13.424 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.677 11.926 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.538 11.256 -0.819 1.00 0.00 H new ATOM 0 HG LEU B 19 -0.147 12.177 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.426 9.774 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.243 10.164 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU B 19 0.143 9.388 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.316 11.079 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -1.820 10.743 -1.538 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.030 12.424 -2.084 1.00 0.00 H new ATOM 1627 N LEU B 20 2.431 13.979 -0.098 1.00 0.00 N ATOM 1628 CA LEU B 20 3.324 14.303 1.010 1.00 0.00 C ATOM 1629 C LEU B 20 2.873 15.574 1.717 1.00 0.00 C ATOM 1630 O LEU B 20 2.944 15.670 2.944 1.00 0.00 O ATOM 1631 CB LEU B 20 4.769 14.456 0.521 1.00 0.00 C ATOM 1632 CG LEU B 20 5.618 13.177 0.549 1.00 0.00 C ATOM 1633 CD1 LEU B 20 4.985 12.079 -0.289 1.00 0.00 C ATOM 1634 CD2 LEU B 20 7.028 13.472 0.062 1.00 0.00 C ATOM 0 H LEU B 20 2.868 14.019 -1.019 1.00 0.00 H new ATOM 0 HA LEU B 20 3.284 13.478 1.721 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.750 14.835 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU B 20 5.262 15.212 1.132 1.00 0.00 H new ATOM 0 HG LEU B 20 5.667 12.825 1.579 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.609 11.186 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU B 20 3.995 11.847 0.103 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.897 12.415 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU B 20 7.620 12.557 0.087 1.00 0.00 H new ATOM 0 HD22 LEU B 20 6.988 13.851 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU B 20 7.488 14.219 0.709 1.00 0.00 H new ATOM 1646 N ASN B 21 2.391 16.538 0.940 1.00 0.00 N ATOM 1647 CA ASN B 21 1.896 17.794 1.493 1.00 0.00 C ATOM 1648 C ASN B 21 0.701 17.540 2.405 1.00 0.00 C ATOM 1649 O ASN B 21 0.588 18.141 3.474 1.00 0.00 O ATOM 1650 CB ASN B 21 1.511 18.760 0.369 1.00 0.00 C ATOM 1651 CG ASN B 21 0.997 20.090 0.887 1.00 0.00 C ATOM 1652 OD1 ASN B 21 -0.205 20.281 1.062 1.00 0.00 O ATOM 1653 ND2 ASN B 21 1.909 21.014 1.148 1.00 0.00 N ATOM 0 H ASN B 21 2.332 16.474 -0.076 1.00 0.00 H new ATOM 0 HA ASN B 21 2.693 18.248 2.082 1.00 0.00 H new ATOM 0 HB2 ASN B 21 2.379 18.934 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN B 21 0.746 18.298 -0.255 1.00 0.00 H new ATOM 0 HD21 ASN B 21 1.624 21.925 1.508 1.00 0.00 H new ATOM 0 HD22 ASN B 21 2.897 20.815 0.989 1.00 0.00 H new ATOM 1660 N VAL B 22 -0.177 16.635 1.978 1.00 0.00 N ATOM 1661 CA VAL B 22 -1.336 16.244 2.776 1.00 0.00 C ATOM 1662 C VAL B 22 -0.905 15.715 4.140 1.00 0.00 C ATOM 1663 O VAL B 22 -1.362 16.200 5.178 1.00 0.00 O ATOM 1664 CB VAL B 22 -2.182 15.170 2.055 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -3.291 14.649 2.960 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.769 15.728 0.769 1.00 0.00 C ATOM 0 H VAL B 22 -0.107 16.157 1.080 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.946 17.137 2.913 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.525 14.336 1.807 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -3.871 13.895 2.428 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.853 14.206 3.854 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.944 15.473 3.247 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.361 14.958 0.275 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.405 16.582 1.000 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.962 16.045 0.108 1.00 0.00 H new ATOM 1676 N LEU B 23 -0.015 14.728 4.135 1.00 0.00 N ATOM 1677 CA LEU B 23 0.468 14.129 5.374 1.00 0.00 C ATOM 1678 C LEU B 23 1.159 15.172 6.246 1.00 0.00 C ATOM 1679 O LEU B 23 0.930 15.237 7.452 1.00 0.00 O ATOM 1680 CB LEU B 23 1.431 12.977 5.075 1.00 0.00 C ATOM 1681 CG LEU B 23 0.826 11.807 4.293 1.00 0.00 C ATOM 1682 CD1 LEU B 23 1.870 10.725 4.068 1.00 0.00 C ATOM 1683 CD2 LEU B 23 -0.381 11.236 5.025 1.00 0.00 C ATOM 0 H LEU B 23 0.386 14.326 3.288 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.393 13.737 5.916 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.278 13.370 4.513 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.823 12.598 6.019 1.00 0.00 H new ATOM 0 HG LEU B 23 0.494 12.178 3.324 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.425 9.900 3.511 1.00 0.00 H new ATOM 0 HD12 LEU B 23 2.705 11.137 3.501 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.230 10.361 5.030 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.795 10.406 4.452 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -0.075 10.881 6.009 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -1.138 12.012 5.139 1.00 0.00 H new ATOM 1695 N GLU B 24 1.982 16.001 5.618 1.00 0.00 N ATOM 1696 CA GLU B 24 2.714 17.054 6.315 1.00 0.00 C ATOM 1697 C GLU B 24 1.761 18.054 6.972 1.00 0.00 C ATOM 1698 O GLU B 24 2.033 18.568 8.057 1.00 0.00 O ATOM 1699 CB GLU B 24 3.624 17.776 5.320 1.00 0.00 C ATOM 1700 CG GLU B 24 4.408 18.932 5.914 1.00 0.00 C ATOM 1701 CD GLU B 24 5.178 19.697 4.861 1.00 0.00 C ATOM 1702 OE1 GLU B 24 4.591 20.602 4.234 1.00 0.00 O ATOM 1703 OE2 GLU B 24 6.368 19.384 4.645 1.00 0.00 O ATOM 0 H GLU B 24 2.162 15.964 4.615 1.00 0.00 H new ATOM 0 HA GLU B 24 3.312 16.597 7.104 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.325 17.056 4.898 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.017 18.150 4.496 1.00 0.00 H new ATOM 0 HG2 GLU B 24 3.724 19.609 6.425 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.101 18.552 6.665 1.00 0.00 H new ATOM 1710 N LYS B 25 0.636 18.304 6.314 1.00 0.00 N ATOM 1711 CA LYS B 25 -0.326 19.300 6.775 1.00 0.00 C ATOM 1712 C LYS B 25 -1.044 18.843 8.048 1.00 0.00 C ATOM 1713 O LYS B 25 -1.572 19.660 8.799 1.00 0.00 O ATOM 1714 CB LYS B 25 -1.341 19.588 5.664 1.00 0.00 C ATOM 1715 CG LYS B 25 -2.330 20.694 5.996 1.00 0.00 C ATOM 1716 CD LYS B 25 -3.305 20.938 4.854 1.00 0.00 C ATOM 1717 CE LYS B 25 -4.087 19.680 4.511 1.00 0.00 C ATOM 1718 NZ LYS B 25 -5.090 19.916 3.443 1.00 0.00 N ATOM 0 H LYS B 25 0.365 17.828 5.454 1.00 0.00 H new ATOM 0 HA LYS B 25 0.218 20.213 7.016 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.802 19.858 4.756 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.894 18.674 5.447 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -2.884 20.429 6.897 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -1.788 21.614 6.214 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -3.997 21.734 5.129 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -2.759 21.279 3.975 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.395 18.900 4.191 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -4.591 19.312 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -5.820 19.176 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -5.532 20.847 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -4.621 19.890 2.515 1.00 0.00 H new ATOM 1732 N HIS B 26 -1.070 17.541 8.290 1.00 0.00 N ATOM 1733 CA HIS B 26 -1.749 17.014 9.472 1.00 0.00 C ATOM 1734 C HIS B 26 -0.744 16.492 10.492 1.00 0.00 C ATOM 1735 O HIS B 26 -0.980 16.577 11.697 1.00 0.00 O ATOM 1736 CB HIS B 26 -2.731 15.900 9.095 1.00 0.00 C ATOM 1737 CG HIS B 26 -3.820 16.334 8.158 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -5.009 16.888 8.577 1.00 0.00 N ATOM 1739 CD2 HIS B 26 -3.897 16.274 6.808 1.00 0.00 C ATOM 1740 CE1 HIS B 26 -5.767 17.146 7.528 1.00 0.00 C ATOM 1741 NE2 HIS B 26 -5.117 16.782 6.439 1.00 0.00 N ATOM 0 H HIS B 26 -0.636 16.835 7.695 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.309 17.836 9.919 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.176 15.082 8.636 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -3.185 15.507 10.005 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.136 15.895 6.142 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.755 17.582 7.556 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.463 16.864 5.483 1.00 0.00 H new ATOM 1750 N LYS B 27 0.379 15.974 9.991 1.00 0.00 N ATOM 1751 CA LYS B 27 1.416 15.352 10.819 1.00 0.00 C ATOM 1752 C LYS B 27 0.899 14.076 11.470 1.00 0.00 C ATOM 1753 O LYS B 27 0.447 14.083 12.616 1.00 0.00 O ATOM 1754 CB LYS B 27 1.946 16.305 11.893 1.00 0.00 C ATOM 1755 CG LYS B 27 2.617 17.554 11.347 1.00 0.00 C ATOM 1756 CD LYS B 27 3.143 18.421 12.476 1.00 0.00 C ATOM 1757 CE LYS B 27 2.024 18.837 13.414 1.00 0.00 C ATOM 1758 NZ LYS B 27 2.538 19.450 14.664 1.00 0.00 N ATOM 0 H LYS B 27 0.596 15.974 8.994 1.00 0.00 H new ATOM 0 HA LYS B 27 2.243 15.105 10.153 1.00 0.00 H new ATOM 0 HB2 LYS B 27 1.119 16.604 12.537 1.00 0.00 H new ATOM 0 HB3 LYS B 27 2.659 15.768 12.518 1.00 0.00 H new ATOM 0 HG2 LYS B 27 3.437 17.272 10.686 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.906 18.122 10.748 1.00 0.00 H new ATOM 0 HD2 LYS B 27 3.904 17.875 13.033 1.00 0.00 H new ATOM 0 HD3 LYS B 27 3.624 19.308 12.064 1.00 0.00 H new ATOM 0 HE2 LYS B 27 1.371 19.546 12.905 1.00 0.00 H new ATOM 0 HE3 LYS B 27 1.417 17.966 13.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 1.739 19.718 15.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 3.140 18.765 15.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 3.095 20.297 14.432 1.00 0.00 H new ATOM 1772 N ALA B 28 0.959 12.986 10.726 1.00 0.00 N ATOM 1773 CA ALA B 28 0.497 11.701 11.220 1.00 0.00 C ATOM 1774 C ALA B 28 1.675 10.843 11.661 1.00 0.00 C ATOM 1775 O ALA B 28 2.704 10.803 10.986 1.00 0.00 O ATOM 1776 CB ALA B 28 -0.310 10.984 10.147 1.00 0.00 C ATOM 0 H ALA B 28 1.325 12.965 9.774 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.145 11.872 12.084 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.651 10.022 10.530 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.173 11.592 9.874 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.314 10.824 9.268 1.00 0.00 H new ATOM 1782 N PRO B 29 1.549 10.159 12.809 1.00 0.00 N ATOM 1783 CA PRO B 29 2.585 9.244 13.298 1.00 0.00 C ATOM 1784 C PRO B 29 2.758 8.042 12.371 1.00 0.00 C ATOM 1785 O PRO B 29 1.900 7.777 11.525 1.00 0.00 O ATOM 1786 CB PRO B 29 2.060 8.797 14.666 1.00 0.00 C ATOM 1787 CG PRO B 29 0.590 9.035 14.612 1.00 0.00 C ATOM 1788 CD PRO B 29 0.397 10.233 13.727 1.00 0.00 C ATOM 0 HA PRO B 29 3.565 9.720 13.348 1.00 0.00 H new ATOM 0 HB2 PRO B 29 2.283 7.746 14.850 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.523 9.367 15.472 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.068 8.166 14.211 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.187 9.217 15.608 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.550 10.189 13.190 1.00 0.00 H new ATOM 0 HD3 PRO B 29 0.396 11.161 14.299 1.00 0.00 H new ATOM 1796 N THR B 30 3.856 7.316 12.546 1.00 0.00 N ATOM 1797 CA THR B 30 4.159 6.154 11.716 1.00 0.00 C ATOM 1798 C THR B 30 3.001 5.151 11.739 1.00 0.00 C ATOM 1799 O THR B 30 2.633 4.588 10.706 1.00 0.00 O ATOM 1800 CB THR B 30 5.454 5.458 12.188 1.00 0.00 C ATOM 1801 OG1 THR B 30 6.515 6.420 12.304 1.00 0.00 O ATOM 1802 CG2 THR B 30 5.870 4.360 11.219 1.00 0.00 C ATOM 0 H THR B 30 4.557 7.513 13.261 1.00 0.00 H new ATOM 0 HA THR B 30 4.302 6.509 10.695 1.00 0.00 H new ATOM 0 HB THR B 30 5.259 5.007 13.161 1.00 0.00 H new ATOM 0 HG1 THR B 30 7.332 5.971 12.605 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.785 3.887 11.576 1.00 0.00 H new ATOM 0 HG22 THR B 30 5.078 3.614 11.152 1.00 0.00 H new ATOM 0 HG23 THR B 30 6.046 4.792 10.234 1.00 0.00 H new ATOM 1810 N ASP B 31 2.417 4.963 12.921 1.00 0.00 N ATOM 1811 CA ASP B 31 1.267 4.071 13.089 1.00 0.00 C ATOM 1812 C ASP B 31 0.128 4.478 12.165 1.00 0.00 C ATOM 1813 O ASP B 31 -0.355 3.679 11.363 1.00 0.00 O ATOM 1814 CB ASP B 31 0.764 4.099 14.538 1.00 0.00 C ATOM 1815 CG ASP B 31 1.763 3.545 15.528 1.00 0.00 C ATOM 1816 OD1 ASP B 31 2.627 4.318 16.001 1.00 0.00 O ATOM 1817 OD2 ASP B 31 1.684 2.342 15.850 1.00 0.00 O ATOM 0 H ASP B 31 2.722 5.418 13.781 1.00 0.00 H new ATOM 0 HA ASP B 31 1.595 3.062 12.838 1.00 0.00 H new ATOM 0 HB2 ASP B 31 0.523 5.126 14.812 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -0.160 3.526 14.606 1.00 0.00 H new ATOM 1822 N LEU B 32 -0.282 5.736 12.273 1.00 0.00 N ATOM 1823 CA LEU B 32 -1.407 6.242 11.502 1.00 0.00 C ATOM 1824 C LEU B 32 -1.073 6.289 10.014 1.00 0.00 C ATOM 1825 O LEU B 32 -1.924 6.010 9.174 1.00 0.00 O ATOM 1826 CB LEU B 32 -1.810 7.633 12.003 1.00 0.00 C ATOM 1827 CG LEU B 32 -3.089 8.208 11.387 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -4.281 7.312 11.693 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -3.338 9.619 11.900 1.00 0.00 C ATOM 0 H LEU B 32 0.150 6.425 12.889 1.00 0.00 H new ATOM 0 HA LEU B 32 -2.247 5.561 11.638 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.936 7.588 13.085 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -0.990 8.323 11.806 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.961 8.250 10.305 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -5.180 7.737 11.247 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -4.106 6.319 11.279 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.412 7.237 12.772 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.250 10.013 11.453 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.445 9.598 12.985 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.497 10.258 11.631 1.00 0.00 H new ATOM 1841 N SER B 33 0.173 6.625 9.697 1.00 0.00 N ATOM 1842 CA SER B 33 0.618 6.696 8.310 1.00 0.00 C ATOM 1843 C SER B 33 0.448 5.347 7.614 1.00 0.00 C ATOM 1844 O SER B 33 -0.117 5.269 6.520 1.00 0.00 O ATOM 1845 CB SER B 33 2.077 7.148 8.245 1.00 0.00 C ATOM 1846 OG SER B 33 2.247 8.417 8.855 1.00 0.00 O ATOM 0 H SER B 33 0.893 6.853 10.383 1.00 0.00 H new ATOM 0 HA SER B 33 -0.000 7.427 7.789 1.00 0.00 H new ATOM 0 HB2 SER B 33 2.711 6.414 8.743 1.00 0.00 H new ATOM 0 HB3 SER B 33 2.400 7.195 7.205 1.00 0.00 H new ATOM 0 HG SER B 33 2.145 8.330 9.826 1.00 0.00 H new ATOM 1852 N LEU B 34 0.918 4.283 8.261 1.00 0.00 N ATOM 1853 CA LEU B 34 0.787 2.938 7.710 1.00 0.00 C ATOM 1854 C LEU B 34 -0.676 2.515 7.672 1.00 0.00 C ATOM 1855 O LEU B 34 -1.117 1.848 6.736 1.00 0.00 O ATOM 1856 CB LEU B 34 1.600 1.936 8.536 1.00 0.00 C ATOM 1857 CG LEU B 34 3.116 2.147 8.514 1.00 0.00 C ATOM 1858 CD1 LEU B 34 3.805 1.140 9.421 1.00 0.00 C ATOM 1859 CD2 LEU B 34 3.649 2.033 7.093 1.00 0.00 C ATOM 0 H LEU B 34 1.391 4.326 9.164 1.00 0.00 H new ATOM 0 HA LEU B 34 1.175 2.949 6.692 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.259 1.981 9.570 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.384 0.931 8.173 1.00 0.00 H new ATOM 0 HG LEU B 34 3.330 3.150 8.884 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.882 1.304 9.394 1.00 0.00 H new ATOM 0 HD12 LEU B 34 3.445 1.264 10.442 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.583 0.130 9.078 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.728 2.186 7.096 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.424 1.042 6.698 1.00 0.00 H new ATOM 0 HD23 LEU B 34 3.177 2.789 6.466 1.00 0.00 H new ATOM 1871 N MET B 35 -1.425 2.922 8.692 1.00 0.00 N ATOM 1872 CA MET B 35 -2.848 2.615 8.778 1.00 0.00 C ATOM 1873 C MET B 35 -3.611 3.217 7.598 1.00 0.00 C ATOM 1874 O MET B 35 -4.364 2.518 6.914 1.00 0.00 O ATOM 1875 CB MET B 35 -3.423 3.147 10.095 1.00 0.00 C ATOM 1876 CG MET B 35 -4.922 2.938 10.240 1.00 0.00 C ATOM 1877 SD MET B 35 -5.574 3.628 11.771 1.00 0.00 S ATOM 1878 CE MET B 35 -7.318 3.282 11.568 1.00 0.00 C ATOM 0 H MET B 35 -1.067 3.469 9.475 1.00 0.00 H new ATOM 0 HA MET B 35 -2.964 1.532 8.745 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.915 2.657 10.926 1.00 0.00 H new ATOM 0 HB3 MET B 35 -3.205 4.212 10.172 1.00 0.00 H new ATOM 0 HG2 MET B 35 -5.432 3.397 9.393 1.00 0.00 H new ATOM 0 HG3 MET B 35 -5.141 1.871 10.205 1.00 0.00 H new ATOM 0 HE1 MET B 35 -7.865 3.649 12.436 1.00 0.00 H new ATOM 0 HE2 MET B 35 -7.686 3.780 10.671 1.00 0.00 H new ATOM 0 HE3 MET B 35 -7.467 2.206 11.473 1.00 0.00 H new ATOM 1888 N VAL B 36 -3.408 4.508 7.362 1.00 0.00 N ATOM 1889 CA VAL B 36 -4.114 5.211 6.299 1.00 0.00 C ATOM 1890 C VAL B 36 -3.689 4.705 4.922 1.00 0.00 C ATOM 1891 O VAL B 36 -4.532 4.308 4.123 1.00 0.00 O ATOM 1892 CB VAL B 36 -3.897 6.740 6.378 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -4.609 7.450 5.234 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -4.380 7.277 7.717 1.00 0.00 C ATOM 0 H VAL B 36 -2.760 5.089 7.893 1.00 0.00 H new ATOM 0 HA VAL B 36 -5.175 5.005 6.441 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.829 6.936 6.288 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -4.441 8.524 5.312 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.218 7.090 4.283 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -5.678 7.245 5.288 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -4.220 8.354 7.756 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -5.443 7.064 7.833 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -3.824 6.798 8.523 1.00 0.00 H new ATOM 1904 N LEU B 37 -2.385 4.697 4.659 1.00 0.00 N ATOM 1905 CA LEU B 37 -1.870 4.280 3.355 1.00 0.00 C ATOM 1906 C LEU B 37 -2.207 2.820 3.067 1.00 0.00 C ATOM 1907 O LEU B 37 -2.537 2.467 1.935 1.00 0.00 O ATOM 1908 CB LEU B 37 -0.355 4.491 3.279 1.00 0.00 C ATOM 1909 CG LEU B 37 0.102 5.950 3.325 1.00 0.00 C ATOM 1910 CD1 LEU B 37 1.618 6.033 3.277 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -0.511 6.736 2.173 1.00 0.00 C ATOM 0 H LEU B 37 -1.666 4.973 5.328 1.00 0.00 H new ATOM 0 HA LEU B 37 -2.352 4.899 2.598 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.112 3.954 4.105 1.00 0.00 H new ATOM 0 HB3 LEU B 37 0.013 4.041 2.357 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.238 6.389 4.263 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.926 7.078 3.311 1.00 0.00 H new ATOM 0 HD12 LEU B 37 2.039 5.503 4.131 1.00 0.00 H new ATOM 0 HD13 LEU B 37 1.978 5.578 2.354 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.176 7.772 2.220 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.199 6.296 1.226 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.598 6.703 2.247 1.00 0.00 H new ATOM 1923 N GLY B 38 -2.141 1.981 4.096 1.00 0.00 N ATOM 1924 CA GLY B 38 -2.466 0.576 3.930 1.00 0.00 C ATOM 1925 C GLY B 38 -3.895 0.368 3.470 1.00 0.00 C ATOM 1926 O GLY B 38 -4.151 -0.373 2.518 1.00 0.00 O ATOM 0 H GLY B 38 -1.868 2.249 5.042 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -1.785 0.131 3.205 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.311 0.055 4.875 1.00 0.00 H new ATOM 1930 N ASN B 39 -4.828 1.044 4.129 1.00 0.00 N ATOM 1931 CA ASN B 39 -6.239 0.947 3.770 1.00 0.00 C ATOM 1932 C ASN B 39 -6.520 1.717 2.489 1.00 0.00 C ATOM 1933 O ASN B 39 -7.465 1.410 1.767 1.00 0.00 O ATOM 1934 CB ASN B 39 -7.133 1.463 4.901 1.00 0.00 C ATOM 1935 CG ASN B 39 -7.245 0.476 6.048 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -8.121 -0.386 6.055 1.00 0.00 O ATOM 1937 ND2 ASN B 39 -6.366 0.599 7.031 1.00 0.00 N ATOM 0 H ASN B 39 -4.634 1.665 4.914 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.469 -0.106 3.605 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.733 2.406 5.275 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.128 1.672 4.507 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -6.402 -0.035 7.830 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -5.653 1.327 6.990 1.00 0.00 H new ATOM 1944 N MET B 40 -5.692 2.714 2.216 1.00 0.00 N ATOM 1945 CA MET B 40 -5.798 3.496 0.991 1.00 0.00 C ATOM 1946 C MET B 40 -5.534 2.602 -0.218 1.00 0.00 C ATOM 1947 O MET B 40 -6.358 2.515 -1.128 1.00 0.00 O ATOM 1948 CB MET B 40 -4.806 4.666 1.042 1.00 0.00 C ATOM 1949 CG MET B 40 -4.967 5.697 -0.066 1.00 0.00 C ATOM 1950 SD MET B 40 -4.316 5.150 -1.655 1.00 0.00 S ATOM 1951 CE MET B 40 -4.414 6.676 -2.584 1.00 0.00 C ATOM 0 H MET B 40 -4.932 3.003 2.832 1.00 0.00 H new ATOM 0 HA MET B 40 -6.805 3.902 0.898 1.00 0.00 H new ATOM 0 HB2 MET B 40 -4.910 5.169 2.003 1.00 0.00 H new ATOM 0 HB3 MET B 40 -3.793 4.266 1.000 1.00 0.00 H new ATOM 0 HG2 MET B 40 -6.024 5.936 -0.178 1.00 0.00 H new ATOM 0 HG3 MET B 40 -4.461 6.617 0.228 1.00 0.00 H new ATOM 0 HE1 MET B 40 -3.997 6.523 -3.580 1.00 0.00 H new ATOM 0 HE2 MET B 40 -5.456 6.983 -2.670 1.00 0.00 H new ATOM 0 HE3 MET B 40 -3.848 7.452 -2.069 1.00 0.00 H new ATOM 1961 N VAL B 41 -4.393 1.920 -0.203 1.00 0.00 N ATOM 1962 CA VAL B 41 -4.049 0.974 -1.260 1.00 0.00 C ATOM 1963 C VAL B 41 -5.101 -0.131 -1.339 1.00 0.00 C ATOM 1964 O VAL B 41 -5.573 -0.480 -2.422 1.00 0.00 O ATOM 1965 CB VAL B 41 -2.656 0.344 -1.029 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -2.308 -0.630 -2.144 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -1.590 1.422 -0.915 1.00 0.00 C ATOM 0 H VAL B 41 -3.690 2.005 0.531 1.00 0.00 H new ATOM 0 HA VAL B 41 -4.022 1.526 -2.200 1.00 0.00 H new ATOM 0 HB VAL B 41 -2.690 -0.209 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -1.324 -1.059 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.051 -1.427 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -2.300 -0.103 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -0.618 0.957 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -1.564 2.006 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -1.823 2.077 -0.076 1.00 0.00 H new ATOM 1977 N THR B 42 -5.479 -0.653 -0.176 1.00 0.00 N ATOM 1978 CA THR B 42 -6.503 -1.685 -0.086 1.00 0.00 C ATOM 1979 C THR B 42 -7.814 -1.217 -0.726 1.00 0.00 C ATOM 1980 O THR B 42 -8.468 -1.974 -1.447 1.00 0.00 O ATOM 1981 CB THR B 42 -6.755 -2.083 1.387 1.00 0.00 C ATOM 1982 OG1 THR B 42 -5.553 -2.620 1.962 1.00 0.00 O ATOM 1983 CG2 THR B 42 -7.871 -3.109 1.502 1.00 0.00 C ATOM 0 H THR B 42 -5.087 -0.374 0.723 1.00 0.00 H new ATOM 0 HA THR B 42 -6.139 -2.556 -0.631 1.00 0.00 H new ATOM 0 HB THR B 42 -7.056 -1.186 1.927 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.016 -1.891 2.338 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.022 -3.366 2.550 1.00 0.00 H new ATOM 0 HG22 THR B 42 -8.792 -2.692 1.095 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.600 -4.005 0.944 1.00 0.00 H new ATOM 1991 N ASN B 43 -8.179 0.037 -0.477 1.00 0.00 N ATOM 1992 CA ASN B 43 -9.414 0.602 -1.012 1.00 0.00 C ATOM 1993 C ASN B 43 -9.425 0.533 -2.533 1.00 0.00 C ATOM 1994 O ASN B 43 -10.320 -0.067 -3.123 1.00 0.00 O ATOM 1995 CB ASN B 43 -9.585 2.056 -0.562 1.00 0.00 C ATOM 1996 CG ASN B 43 -10.909 2.651 -1.008 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -11.030 3.169 -2.116 1.00 0.00 O ATOM 1998 ND2 ASN B 43 -11.909 2.592 -0.139 1.00 0.00 N ATOM 0 H ASN B 43 -7.635 0.684 0.094 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.245 0.012 -0.625 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.515 2.107 0.525 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -8.768 2.655 -0.963 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -12.819 2.985 -0.381 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -11.769 2.153 0.771 1.00 0.00 H new ATOM 2005 N LEU B 44 -8.408 1.121 -3.159 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.327 1.189 -4.619 1.00 0.00 C ATOM 2007 C LEU B 44 -8.339 -0.203 -5.250 1.00 0.00 C ATOM 2008 O LEU B 44 -8.966 -0.415 -6.288 1.00 0.00 O ATOM 2009 CB LEU B 44 -7.072 1.956 -5.061 1.00 0.00 C ATOM 2010 CG LEU B 44 -7.203 3.486 -5.102 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -8.314 3.902 -6.053 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -7.450 4.059 -3.714 1.00 0.00 C ATOM 0 H LEU B 44 -7.624 1.560 -2.676 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.210 1.725 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -6.255 1.698 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.787 1.608 -6.054 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.259 3.890 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -8.392 4.989 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.089 3.540 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -9.259 3.476 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -7.538 5.144 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.372 3.644 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -6.617 3.801 -3.060 1.00 0.00 H new ATOM 2024 N ILE B 45 -7.663 -1.151 -4.616 1.00 0.00 N ATOM 2025 CA ILE B 45 -7.596 -2.513 -5.134 1.00 0.00 C ATOM 2026 C ILE B 45 -8.967 -3.197 -5.078 1.00 0.00 C ATOM 2027 O ILE B 45 -9.290 -4.033 -5.919 1.00 0.00 O ATOM 2028 CB ILE B 45 -6.546 -3.356 -4.370 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -5.153 -2.744 -4.550 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -6.553 -4.802 -4.850 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -4.052 -3.497 -3.832 1.00 0.00 C ATOM 0 H ILE B 45 -7.154 -1.004 -3.744 1.00 0.00 H new ATOM 0 HA ILE B 45 -7.287 -2.446 -6.177 1.00 0.00 H new ATOM 0 HB ILE B 45 -6.805 -3.350 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -4.919 -2.706 -5.614 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.170 -1.715 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -5.806 -5.372 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -7.539 -5.236 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -6.319 -4.833 -5.914 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.097 -3.001 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -4.260 -3.513 -2.762 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -4.005 -4.519 -4.208 1.00 0.00 H new ATOM 2043 N ASN B 46 -9.783 -2.818 -4.106 1.00 0.00 N ATOM 2044 CA ASN B 46 -11.101 -3.426 -3.952 1.00 0.00 C ATOM 2045 C ASN B 46 -12.170 -2.664 -4.732 1.00 0.00 C ATOM 2046 O ASN B 46 -13.136 -3.255 -5.209 1.00 0.00 O ATOM 2047 CB ASN B 46 -11.498 -3.514 -2.473 1.00 0.00 C ATOM 2048 CG ASN B 46 -10.808 -4.653 -1.740 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -11.307 -5.775 -1.704 1.00 0.00 O ATOM 2050 ND2 ASN B 46 -9.658 -4.376 -1.147 1.00 0.00 N ATOM 0 H ASN B 46 -9.561 -2.100 -3.417 1.00 0.00 H new ATOM 0 HA ASN B 46 -11.035 -4.434 -4.361 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.255 -2.572 -1.981 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -12.578 -3.643 -2.399 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -9.157 -5.105 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -9.272 -3.433 -1.197 1.00 0.00 H new ATOM 2057 N THR B 47 -11.998 -1.357 -4.871 1.00 0.00 N ATOM 2058 CA THR B 47 -13.004 -0.527 -5.524 1.00 0.00 C ATOM 2059 C THR B 47 -12.794 -0.437 -7.036 1.00 0.00 C ATOM 2060 O THR B 47 -13.758 -0.413 -7.803 1.00 0.00 O ATOM 2061 CB THR B 47 -13.019 0.899 -4.936 1.00 0.00 C ATOM 2062 OG1 THR B 47 -11.701 1.466 -4.995 1.00 0.00 O ATOM 2063 CG2 THR B 47 -13.513 0.889 -3.496 1.00 0.00 C ATOM 0 H THR B 47 -11.176 -0.849 -4.543 1.00 0.00 H new ATOM 0 HA THR B 47 -13.962 -1.012 -5.337 1.00 0.00 H new ATOM 0 HB THR B 47 -13.702 1.507 -5.529 1.00 0.00 H new ATOM 0 HG1 THR B 47 -11.141 1.064 -4.299 1.00 0.00 H new ATOM 0 HG21 THR B 47 -13.514 1.906 -3.105 1.00 0.00 H new ATOM 0 HG22 THR B 47 -14.525 0.486 -3.461 1.00 0.00 H new ATOM 0 HG23 THR B 47 -12.854 0.268 -2.890 1.00 0.00 H new ATOM 2071 N SER B 48 -11.541 -0.386 -7.465 1.00 0.00 N ATOM 2072 CA SER B 48 -11.237 -0.157 -8.869 1.00 0.00 C ATOM 2073 C SER B 48 -10.824 -1.446 -9.581 1.00 0.00 C ATOM 2074 O SER B 48 -11.172 -1.657 -10.743 1.00 0.00 O ATOM 2075 CB SER B 48 -10.133 0.894 -8.990 1.00 0.00 C ATOM 2076 OG SER B 48 -10.464 2.056 -8.244 1.00 0.00 O ATOM 0 H SER B 48 -10.724 -0.499 -6.865 1.00 0.00 H new ATOM 0 HA SER B 48 -12.143 0.205 -9.355 1.00 0.00 H new ATOM 0 HB2 SER B 48 -9.190 0.481 -8.631 1.00 0.00 H new ATOM 0 HB3 SER B 48 -9.988 1.157 -10.038 1.00 0.00 H new ATOM 0 HG SER B 48 -9.746 2.717 -8.332 1.00 0.00 H new ATOM 2082 N ILE B 49 -10.098 -2.305 -8.879 1.00 0.00 N ATOM 2083 CA ILE B 49 -9.575 -3.528 -9.478 1.00 0.00 C ATOM 2084 C ILE B 49 -10.604 -4.656 -9.404 1.00 0.00 C ATOM 2085 O ILE B 49 -11.405 -4.718 -8.467 1.00 0.00 O ATOM 2086 CB ILE B 49 -8.253 -3.957 -8.794 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -7.219 -2.832 -8.914 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -7.712 -5.246 -9.402 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -5.894 -3.142 -8.252 1.00 0.00 C ATOM 0 H ILE B 49 -9.857 -2.179 -7.896 1.00 0.00 H new ATOM 0 HA ILE B 49 -9.367 -3.322 -10.528 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.455 -4.147 -7.740 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -7.046 -2.622 -9.970 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -7.631 -1.925 -8.472 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -6.784 -5.523 -8.902 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.444 -6.043 -9.275 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.521 -5.095 -10.464 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -5.217 -2.298 -8.381 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -6.052 -3.322 -7.189 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -5.458 -4.030 -8.709 1.00 0.00 H new ATOM 2101 N ALA B 50 -10.587 -5.526 -10.414 1.00 0.00 N ATOM 2102 CA ALA B 50 -11.511 -6.654 -10.502 1.00 0.00 C ATOM 2103 C ALA B 50 -11.483 -7.512 -9.234 1.00 0.00 C ATOM 2104 O ALA B 50 -10.418 -7.782 -8.679 1.00 0.00 O ATOM 2105 CB ALA B 50 -11.183 -7.500 -11.724 1.00 0.00 C ATOM 0 H ALA B 50 -9.932 -5.468 -11.194 1.00 0.00 H new ATOM 0 HA ALA B 50 -12.520 -6.253 -10.601 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.876 -8.339 -11.782 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.274 -6.891 -12.623 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.163 -7.877 -11.643 1.00 0.00 H new ATOM 2111 N PRO B 51 -12.668 -7.961 -8.783 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.847 -8.677 -7.507 1.00 0.00 C ATOM 2113 C PRO B 51 -11.940 -9.898 -7.332 1.00 0.00 C ATOM 2114 O PRO B 51 -11.436 -10.150 -6.237 1.00 0.00 O ATOM 2115 CB PRO B 51 -14.318 -9.118 -7.537 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.765 -8.927 -8.947 1.00 0.00 C ATOM 2117 CD PRO B 51 -13.949 -7.795 -9.485 1.00 0.00 C ATOM 0 HA PRO B 51 -12.583 -8.028 -6.672 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -14.422 -10.159 -7.231 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -14.920 -8.522 -6.851 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -14.610 -9.833 -9.532 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -15.830 -8.697 -8.992 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -13.830 -7.859 -10.567 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -14.406 -6.829 -9.272 1.00 0.00 H new ATOM 2125 N ALA B 52 -11.736 -10.659 -8.397 1.00 0.00 N ATOM 2126 CA ALA B 52 -10.934 -11.873 -8.312 1.00 0.00 C ATOM 2127 C ALA B 52 -9.449 -11.563 -8.451 1.00 0.00 C ATOM 2128 O ALA B 52 -8.599 -12.275 -7.918 1.00 0.00 O ATOM 2129 CB ALA B 52 -11.365 -12.868 -9.377 1.00 0.00 C ATOM 0 H ALA B 52 -12.111 -10.461 -9.325 1.00 0.00 H new ATOM 0 HA ALA B 52 -11.097 -12.314 -7.329 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -10.757 -13.769 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -12.414 -13.125 -9.232 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.234 -12.424 -10.364 1.00 0.00 H new ATOM 2135 N GLN B 53 -9.143 -10.479 -9.148 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.762 -10.126 -9.448 1.00 0.00 C ATOM 2137 C GLN B 53 -7.176 -9.218 -8.374 1.00 0.00 C ATOM 2138 O GLN B 53 -6.023 -8.792 -8.470 1.00 0.00 O ATOM 2139 CB GLN B 53 -7.664 -9.461 -10.827 1.00 0.00 C ATOM 2140 CG GLN B 53 -7.784 -10.435 -11.996 1.00 0.00 C ATOM 2141 CD GLN B 53 -9.143 -11.111 -12.087 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -10.169 -10.534 -11.729 1.00 0.00 O ATOM 2143 NE2 GLN B 53 -9.155 -12.349 -12.557 1.00 0.00 N ATOM 0 H GLN B 53 -9.834 -9.826 -9.518 1.00 0.00 H new ATOM 0 HA GLN B 53 -7.178 -11.046 -9.462 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -8.448 -8.708 -10.913 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -6.711 -8.938 -10.900 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.591 -9.900 -12.926 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.013 -11.199 -11.902 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.283 -12.794 -12.844 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -10.036 -12.857 -12.632 1.00 0.00 H new ATOM 2152 N ARG B 54 -7.971 -8.936 -7.346 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.517 -8.134 -6.214 1.00 0.00 C ATOM 2154 C ARG B 54 -6.261 -8.742 -5.601 1.00 0.00 C ATOM 2155 O ARG B 54 -5.223 -8.088 -5.509 1.00 0.00 O ATOM 2156 CB ARG B 54 -8.609 -8.038 -5.144 1.00 0.00 C ATOM 2157 CG ARG B 54 -9.869 -7.325 -5.599 1.00 0.00 C ATOM 2158 CD ARG B 54 -10.915 -7.303 -4.496 1.00 0.00 C ATOM 2159 NE ARG B 54 -12.180 -6.719 -4.941 1.00 0.00 N ATOM 2160 CZ ARG B 54 -13.322 -6.805 -4.255 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -13.361 -7.435 -3.088 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -14.428 -6.262 -4.742 1.00 0.00 N ATOM 0 H ARG B 54 -8.938 -9.253 -7.274 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.291 -7.133 -6.582 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -8.872 -9.045 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.205 -7.518 -4.275 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.626 -6.304 -5.894 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -10.275 -7.824 -6.479 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -11.091 -8.320 -4.145 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.533 -6.734 -3.648 1.00 0.00 H new ATOM 0 HE ARG B 54 -12.190 -6.216 -5.828 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -12.514 -7.858 -2.708 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -14.238 -7.496 -2.570 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -14.406 -5.779 -5.640 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -15.301 -6.327 -4.219 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.362 -10.008 -5.210 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.250 -10.715 -4.581 1.00 0.00 C ATOM 2178 C GLN B 55 -4.054 -10.824 -5.521 1.00 0.00 C ATOM 2179 O GLN B 55 -2.910 -10.715 -5.090 1.00 0.00 O ATOM 2180 CB GLN B 55 -5.691 -12.113 -4.135 1.00 0.00 C ATOM 2181 CG GLN B 55 -6.579 -12.114 -2.900 1.00 0.00 C ATOM 2182 CD GLN B 55 -5.820 -11.787 -1.626 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -4.837 -11.045 -1.642 1.00 0.00 O ATOM 2184 NE2 GLN B 55 -6.262 -12.351 -0.514 1.00 0.00 N ATOM 0 H GLN B 55 -7.207 -10.569 -5.318 1.00 0.00 H new ATOM 0 HA GLN B 55 -4.944 -10.138 -3.708 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -6.225 -12.594 -4.955 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -4.805 -12.716 -3.934 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -7.381 -11.389 -3.035 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -7.048 -13.093 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -7.080 -12.960 -0.541 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -5.785 -12.177 0.371 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.328 -11.017 -6.806 1.00 0.00 N ATOM 2194 CA ALA B 56 -3.272 -11.171 -7.800 1.00 0.00 C ATOM 2195 C ALA B 56 -2.344 -9.961 -7.805 1.00 0.00 C ATOM 2196 O ALA B 56 -1.126 -10.099 -7.673 1.00 0.00 O ATOM 2197 CB ALA B 56 -3.875 -11.386 -9.181 1.00 0.00 C ATOM 0 H ALA B 56 -5.274 -11.071 -7.185 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.680 -12.047 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -3.076 -11.499 -9.913 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -4.490 -12.286 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.491 -10.527 -9.447 1.00 0.00 H new ATOM 2203 N ILE B 57 -2.925 -8.777 -7.928 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.145 -7.548 -7.960 1.00 0.00 C ATOM 2205 C ILE B 57 -1.602 -7.212 -6.571 1.00 0.00 C ATOM 2206 O ILE B 57 -0.453 -6.788 -6.431 1.00 0.00 O ATOM 2207 CB ILE B 57 -2.978 -6.367 -8.506 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -3.447 -6.677 -9.932 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -2.169 -5.073 -8.475 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -4.262 -5.572 -10.567 1.00 0.00 C ATOM 0 H ILE B 57 -3.933 -8.641 -8.007 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.304 -7.712 -8.634 1.00 0.00 H new ATOM 0 HB ILE B 57 -3.852 -6.231 -7.869 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -2.575 -6.875 -10.555 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -4.042 -7.590 -9.917 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -2.776 -4.255 -8.864 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -1.876 -4.851 -7.449 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -1.276 -5.187 -9.090 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -4.555 -5.869 -11.574 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -5.154 -5.388 -9.969 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -3.665 -4.662 -10.617 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.418 -7.435 -5.546 1.00 0.00 N ATOM 2223 CA ALA B 58 -2.017 -7.158 -4.169 1.00 0.00 C ATOM 2224 C ALA B 58 -0.795 -7.980 -3.771 1.00 0.00 C ATOM 2225 O ALA B 58 0.147 -7.464 -3.171 1.00 0.00 O ATOM 2226 CB ALA B 58 -3.165 -7.434 -3.213 1.00 0.00 C ATOM 0 H ALA B 58 -3.363 -7.807 -5.642 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.751 -6.103 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.847 -7.222 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -4.012 -6.798 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.460 -8.480 -3.291 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.806 -9.262 -4.118 1.00 0.00 N ATOM 2233 CA ASN B 59 0.304 -10.146 -3.781 1.00 0.00 C ATOM 2234 C ASN B 59 1.528 -9.810 -4.620 1.00 0.00 C ATOM 2235 O ASN B 59 2.660 -9.964 -4.165 1.00 0.00 O ATOM 2236 CB ASN B 59 -0.083 -11.620 -3.961 1.00 0.00 C ATOM 2237 CG ASN B 59 -0.996 -12.138 -2.856 1.00 0.00 C ATOM 2238 OD1 ASN B 59 -1.877 -11.287 -2.351 1.00 0.00 O flip ATOM 2239 ND2 ASN B 59 -0.914 -13.301 -2.467 1.00 0.00 N flip ATOM 0 H ASN B 59 -1.566 -9.711 -4.629 1.00 0.00 H new ATOM 0 HA ASN B 59 0.548 -9.990 -2.730 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -0.580 -11.744 -4.923 1.00 0.00 H new ATOM 0 HB3 ASN B 59 0.822 -12.226 -3.990 1.00 0.00 H new ATOM 0 HD21 ASN B 59 -0.224 -13.929 -2.879 1.00 0.00 H new ATOM 0 HD22 ASN B 59 -1.536 -13.638 -1.733 1.00 0.00 H new ATOM 2246 N SER B 60 1.302 -9.334 -5.839 1.00 0.00 N ATOM 2247 CA SER B 60 2.394 -8.890 -6.696 1.00 0.00 C ATOM 2248 C SER B 60 3.061 -7.652 -6.100 1.00 0.00 C ATOM 2249 O SER B 60 4.282 -7.500 -6.163 1.00 0.00 O ATOM 2250 CB SER B 60 1.883 -8.595 -8.108 1.00 0.00 C ATOM 2251 OG SER B 60 1.326 -9.759 -8.698 1.00 0.00 O ATOM 0 H SER B 60 0.375 -9.246 -6.255 1.00 0.00 H new ATOM 0 HA SER B 60 3.133 -9.689 -6.760 1.00 0.00 H new ATOM 0 HB2 SER B 60 1.131 -7.806 -8.070 1.00 0.00 H new ATOM 0 HB3 SER B 60 2.702 -8.225 -8.726 1.00 0.00 H new ATOM 0 HG SER B 60 0.369 -9.805 -8.491 1.00 0.00 H new ATOM 2257 N PHE B 61 2.248 -6.783 -5.505 1.00 0.00 N ATOM 2258 CA PHE B 61 2.747 -5.599 -4.818 1.00 0.00 C ATOM 2259 C PHE B 61 3.682 -6.002 -3.681 1.00 0.00 C ATOM 2260 O PHE B 61 4.747 -5.415 -3.505 1.00 0.00 O ATOM 2261 CB PHE B 61 1.577 -4.768 -4.276 1.00 0.00 C ATOM 2262 CG PHE B 61 1.996 -3.533 -3.525 1.00 0.00 C ATOM 2263 CD1 PHE B 61 2.389 -2.392 -4.206 1.00 0.00 C ATOM 2264 CD2 PHE B 61 1.997 -3.515 -2.138 1.00 0.00 C ATOM 2265 CE1 PHE B 61 2.777 -1.257 -3.518 1.00 0.00 C ATOM 2266 CE2 PHE B 61 2.383 -2.382 -1.446 1.00 0.00 C ATOM 2267 CZ PHE B 61 2.772 -1.251 -2.137 1.00 0.00 C ATOM 0 H PHE B 61 1.233 -6.880 -5.486 1.00 0.00 H new ATOM 0 HA PHE B 61 3.306 -4.992 -5.530 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.938 -4.474 -5.109 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.975 -5.394 -3.617 1.00 0.00 H new ATOM 0 HD1 PHE B 61 2.392 -2.389 -5.286 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.693 -4.396 -1.592 1.00 0.00 H new ATOM 0 HE1 PHE B 61 3.084 -0.375 -4.061 1.00 0.00 H new ATOM 0 HE2 PHE B 61 2.380 -2.381 -0.366 1.00 0.00 H new ATOM 0 HZ PHE B 61 3.072 -0.364 -1.599 1.00 0.00 H new ATOM 2277 N ALA B 62 3.280 -7.022 -2.928 1.00 0.00 N ATOM 2278 CA ALA B 62 4.086 -7.525 -1.820 1.00 0.00 C ATOM 2279 C ALA B 62 5.433 -8.047 -2.313 1.00 0.00 C ATOM 2280 O ALA B 62 6.458 -7.865 -1.654 1.00 0.00 O ATOM 2281 CB ALA B 62 3.332 -8.618 -1.074 1.00 0.00 C ATOM 0 H ALA B 62 2.399 -7.517 -3.065 1.00 0.00 H new ATOM 0 HA ALA B 62 4.277 -6.699 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.944 -8.985 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.399 -8.213 -0.681 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.112 -9.439 -1.756 1.00 0.00 H new ATOM 2287 N ARG B 63 5.425 -8.683 -3.481 1.00 0.00 N ATOM 2288 CA ARG B 63 6.651 -9.202 -4.079 1.00 0.00 C ATOM 2289 C ARG B 63 7.591 -8.054 -4.429 1.00 0.00 C ATOM 2290 O ARG B 63 8.778 -8.088 -4.107 1.00 0.00 O ATOM 2291 CB ARG B 63 6.343 -10.012 -5.342 1.00 0.00 C ATOM 2292 CG ARG B 63 5.317 -11.115 -5.137 1.00 0.00 C ATOM 2293 CD ARG B 63 5.083 -11.900 -6.417 1.00 0.00 C ATOM 2294 NE ARG B 63 3.904 -12.761 -6.325 1.00 0.00 N ATOM 2295 CZ ARG B 63 3.950 -14.086 -6.198 1.00 0.00 C ATOM 2296 NH1 ARG B 63 5.119 -14.715 -6.141 1.00 0.00 N ATOM 2297 NH2 ARG B 63 2.821 -14.780 -6.142 1.00 0.00 N ATOM 0 H ARG B 63 4.583 -8.851 -4.032 1.00 0.00 H new ATOM 0 HA ARG B 63 7.130 -9.857 -3.351 1.00 0.00 H new ATOM 0 HB2 ARG B 63 5.983 -9.335 -6.116 1.00 0.00 H new ATOM 0 HB3 ARG B 63 7.268 -10.455 -5.711 1.00 0.00 H new ATOM 0 HG2 ARG B 63 5.658 -11.790 -4.352 1.00 0.00 H new ATOM 0 HG3 ARG B 63 4.377 -10.681 -4.798 1.00 0.00 H new ATOM 0 HD2 ARG B 63 4.962 -11.207 -7.250 1.00 0.00 H new ATOM 0 HD3 ARG B 63 5.960 -12.509 -6.634 1.00 0.00 H new ATOM 0 HE ARG B 63 2.986 -12.317 -6.360 1.00 0.00 H new ATOM 0 HH11 ARG B 63 5.988 -14.183 -6.195 1.00 0.00 H new ATOM 0 HH12 ARG B 63 5.148 -15.730 -6.044 1.00 0.00 H new ATOM 0 HH21 ARG B 63 1.923 -14.299 -6.196 1.00 0.00 H new ATOM 0 HH22 ARG B 63 2.851 -15.795 -6.045 1.00 0.00 H new ATOM 2311 N ALA B 64 7.041 -7.033 -5.079 1.00 0.00 N ATOM 2312 CA ALA B 64 7.819 -5.867 -5.482 1.00 0.00 C ATOM 2313 C ALA B 64 8.314 -5.094 -4.265 1.00 0.00 C ATOM 2314 O ALA B 64 9.448 -4.617 -4.241 1.00 0.00 O ATOM 2315 CB ALA B 64 6.990 -4.964 -6.382 1.00 0.00 C ATOM 0 H ALA B 64 6.056 -6.990 -5.339 1.00 0.00 H new ATOM 0 HA ALA B 64 8.689 -6.215 -6.039 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.584 -4.098 -6.675 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.689 -5.515 -7.273 1.00 0.00 H new ATOM 0 HB3 ALA B 64 6.102 -4.630 -5.844 1.00 0.00 H new ATOM 2321 N LEU B 65 7.460 -4.992 -3.252 1.00 0.00 N ATOM 2322 CA LEU B 65 7.791 -4.284 -2.022 1.00 0.00 C ATOM 2323 C LEU B 65 9.056 -4.857 -1.389 1.00 0.00 C ATOM 2324 O LEU B 65 10.012 -4.134 -1.114 1.00 0.00 O ATOM 2325 CB LEU B 65 6.623 -4.378 -1.034 1.00 0.00 C ATOM 2326 CG LEU B 65 6.798 -3.598 0.270 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.824 -2.102 0.001 1.00 0.00 C ATOM 2328 CD2 LEU B 65 5.688 -3.947 1.249 1.00 0.00 C ATOM 0 H LEU B 65 6.523 -5.396 -3.261 1.00 0.00 H new ATOM 0 HA LEU B 65 7.973 -3.237 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.720 -4.023 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.460 -5.428 -0.790 1.00 0.00 H new ATOM 0 HG LEU B 65 7.752 -3.880 0.715 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.949 -1.565 0.941 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.654 -1.866 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.887 -1.800 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.827 -3.384 2.172 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.723 -3.693 0.810 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.718 -5.014 1.467 1.00 0.00 H new ATOM 2340 N GLN B 66 9.073 -6.171 -1.199 1.00 0.00 N ATOM 2341 CA GLN B 66 10.199 -6.832 -0.550 1.00 0.00 C ATOM 2342 C GLN B 66 11.391 -6.957 -1.497 1.00 0.00 C ATOM 2343 O GLN B 66 12.484 -7.351 -1.088 1.00 0.00 O ATOM 2344 CB GLN B 66 9.779 -8.210 -0.031 1.00 0.00 C ATOM 2345 CG GLN B 66 8.626 -8.157 0.958 1.00 0.00 C ATOM 2346 CD GLN B 66 8.276 -9.517 1.528 1.00 0.00 C ATOM 2347 OE1 GLN B 66 9.140 -10.381 1.676 1.00 0.00 O ATOM 2348 NE2 GLN B 66 7.008 -9.718 1.851 1.00 0.00 N ATOM 0 H GLN B 66 8.321 -6.799 -1.484 1.00 0.00 H new ATOM 0 HA GLN B 66 10.509 -6.217 0.295 1.00 0.00 H new ATOM 0 HB2 GLN B 66 9.495 -8.837 -0.876 1.00 0.00 H new ATOM 0 HB3 GLN B 66 10.635 -8.687 0.446 1.00 0.00 H new ATOM 0 HG2 GLN B 66 8.884 -7.482 1.774 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.749 -7.739 0.464 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.323 -8.975 1.713 1.00 0.00 H new ATOM 0 HE22 GLN B 66 6.716 -10.615 2.238 1.00 0.00 H new ATOM 2357 N SER B 67 11.177 -6.616 -2.761 1.00 0.00 N ATOM 2358 CA SER B 67 12.245 -6.632 -3.747 1.00 0.00 C ATOM 2359 C SER B 67 12.891 -5.252 -3.852 1.00 0.00 C ATOM 2360 O SER B 67 14.040 -5.123 -4.281 1.00 0.00 O ATOM 2361 CB SER B 67 11.699 -7.069 -5.112 1.00 0.00 C ATOM 2362 OG SER B 67 12.732 -7.157 -6.079 1.00 0.00 O ATOM 0 H SER B 67 10.270 -6.325 -3.126 1.00 0.00 H new ATOM 0 HA SER B 67 13.003 -7.347 -3.428 1.00 0.00 H new ATOM 0 HB2 SER B 67 11.206 -8.036 -5.015 1.00 0.00 H new ATOM 0 HB3 SER B 67 10.944 -6.358 -5.448 1.00 0.00 H new ATOM 0 HG SER B 67 12.353 -7.439 -6.938 1.00 0.00 H new ATOM 2368 N SER B 68 12.149 -4.224 -3.461 1.00 0.00 N ATOM 2369 CA SER B 68 12.661 -2.864 -3.494 1.00 0.00 C ATOM 2370 C SER B 68 13.238 -2.482 -2.135 1.00 0.00 C ATOM 2371 O SER B 68 14.157 -1.665 -2.046 1.00 0.00 O ATOM 2372 CB SER B 68 11.555 -1.888 -3.903 1.00 0.00 C ATOM 2373 OG SER B 68 12.072 -0.583 -4.117 1.00 0.00 O ATOM 0 H SER B 68 11.192 -4.308 -3.118 1.00 0.00 H new ATOM 0 HA SER B 68 13.459 -2.810 -4.235 1.00 0.00 H new ATOM 0 HB2 SER B 68 11.071 -2.244 -4.813 1.00 0.00 H new ATOM 0 HB3 SER B 68 10.790 -1.856 -3.127 1.00 0.00 H new ATOM 0 HG SER B 68 11.344 0.019 -4.378 1.00 0.00 H new ATOM 2379 N ILE B 69 12.690 -3.068 -1.076 1.00 0.00 N ATOM 2380 CA ILE B 69 13.205 -2.845 0.267 1.00 0.00 C ATOM 2381 C ILE B 69 14.425 -3.719 0.518 1.00 0.00 C ATOM 2382 O ILE B 69 14.320 -4.944 0.595 1.00 0.00 O ATOM 2383 CB ILE B 69 12.143 -3.138 1.351 1.00 0.00 C ATOM 2384 CG1 ILE B 69 10.952 -2.187 1.213 1.00 0.00 C ATOM 2385 CG2 ILE B 69 12.752 -3.024 2.743 1.00 0.00 C ATOM 2386 CD1 ILE B 69 9.860 -2.435 2.233 1.00 0.00 C ATOM 0 H ILE B 69 11.891 -3.700 -1.123 1.00 0.00 H new ATOM 0 HA ILE B 69 13.480 -1.792 0.332 1.00 0.00 H new ATOM 0 HB ILE B 69 11.787 -4.159 1.210 1.00 0.00 H new ATOM 0 HG12 ILE B 69 11.304 -1.160 1.311 1.00 0.00 H new ATOM 0 HG13 ILE B 69 10.532 -2.286 0.212 1.00 0.00 H new ATOM 0 HG21 ILE B 69 11.989 -3.234 3.492 1.00 0.00 H new ATOM 0 HG22 ILE B 69 13.566 -3.742 2.844 1.00 0.00 H new ATOM 0 HG23 ILE B 69 13.137 -2.015 2.890 1.00 0.00 H new ATOM 0 HD11 ILE B 69 9.048 -1.725 2.076 1.00 0.00 H new ATOM 0 HD12 ILE B 69 9.481 -3.451 2.121 1.00 0.00 H new ATOM 0 HD13 ILE B 69 10.264 -2.308 3.237 1.00 0.00 H new