USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=24 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 42 THR OG1 : rot 65:sc= 1.27 USER MOD Set 1.2: B 68 SER OG : rot -92:sc= 1.22 USER MOD Set 2.1: B 55 GLN : amide:sc= -0.0383 K(o=-0.017,f=-3.5!) USER MOD Set 2.2: B 59 ASN : amide:sc= 0.021 K(o=-0.017,f=-0.81) USER MOD Set 3.1: A 68 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 42 THR OG1 : rot 75:sc= 1.28 USER MOD Set 4.1: A 47 THR OG1 : rot -66:sc= 1.18 USER MOD Set 4.2: A 48 SER OG : rot -170:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.12) USER MOD Single : A 14 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.26) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0723) USER MOD Single : A 26 HIS : no HD1:sc= 0.697 K(o=0.7,f=-4.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 33 SER OG : rot -90:sc= -0.0246 USER MOD Single : A 35 MET CE :methyl 159:sc= -0.312 (180deg=-1.15) USER MOD Single : A 39 ASN : amide:sc= 1.18 K(o=1.2,f=-0.094) USER MOD Single : A 40 MET CE :methyl -164:sc=-0.00594 (180deg=-0.152) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 46 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.3!) USER MOD Single : A 53 GLN : amide:sc=-0.00421 K(o=-0.0042,f=-0.98) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.159 F(o=-2.5!,f=-0.16) USER MOD Single : A 67 SER OG : rot 76:sc= 1.27 USER MOD Single : B 8 SER OG : rot 180:sc= 0.0119 USER MOD Single : B 11 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.9!) USER MOD Single : B 14 GLN : amide:sc= -0.41! X(o=-0.41!,f=-0.84) USER MOD Single : B 21 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 25 LYS NZ :NH3+ 153:sc= 0.955 (180deg=0.379) USER MOD Single : B 26 HIS : no HD1:sc= 0.665 K(o=0.67,f=-5.8!) USER MOD Single : B 27 LYS NZ :NH3+ -160:sc= 0.885 (180deg=0.448) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : B 33 SER OG : rot 72:sc= 0.891 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 39 ASN : amide:sc= 0.926 K(o=0.93,f=0) USER MOD Single : B 40 MET CE :methyl 180:sc=-0.00978 (180deg=-0.00978) USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : B 46 ASN : amide:sc= 1.04 K(o=1,f=-5.4!) USER MOD Single : B 47 THR OG1 : rot -44:sc= 0.343 USER MOD Single : B 48 SER OG : rot -71:sc= 1.31 USER MOD Single : B 53 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.6) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN :FLIP amide:sc= -0.266 F(o=-1.4,f=-0.27) USER MOD Single : B 67 SER OG : rot -82:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 137 N ASP A 9 -12.251 9.256 14.713 1.00 0.00 N ATOM 138 CA ASP A 9 -12.852 9.198 13.388 1.00 0.00 C ATOM 139 C ASP A 9 -12.412 10.376 12.533 1.00 0.00 C ATOM 140 O ASP A 9 -12.128 10.216 11.351 1.00 0.00 O ATOM 141 CB ASP A 9 -14.377 9.188 13.515 1.00 0.00 C ATOM 142 CG ASP A 9 -15.082 9.248 12.175 1.00 0.00 C ATOM 143 OD1 ASP A 9 -15.288 8.183 11.561 1.00 0.00 O ATOM 144 OD2 ASP A 9 -15.455 10.357 11.743 1.00 0.00 O ATOM 0 HA ASP A 9 -12.518 8.282 12.900 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.686 8.286 14.042 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.691 10.036 14.123 1.00 0.00 H new ATOM 149 N GLU A 10 -12.339 11.550 13.152 1.00 0.00 N ATOM 150 CA GLU A 10 -11.949 12.774 12.459 1.00 0.00 C ATOM 151 C GLU A 10 -10.621 12.600 11.726 1.00 0.00 C ATOM 152 O GLU A 10 -10.512 12.928 10.544 1.00 0.00 O ATOM 153 CB GLU A 10 -11.839 13.947 13.439 1.00 0.00 C ATOM 154 CG GLU A 10 -13.051 14.125 14.339 1.00 0.00 C ATOM 155 CD GLU A 10 -12.975 13.282 15.596 1.00 0.00 C ATOM 156 OE1 GLU A 10 -12.404 13.762 16.595 1.00 0.00 O ATOM 157 OE2 GLU A 10 -13.480 12.138 15.590 1.00 0.00 O ATOM 0 H GLU A 10 -12.547 11.680 14.142 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.727 12.990 11.727 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.956 13.803 14.062 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.683 14.865 12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.142 15.175 14.616 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.952 13.863 13.784 1.00 0.00 H new ATOM 164 N GLN A 11 -9.616 12.073 12.425 1.00 0.00 N ATOM 165 CA GLN A 11 -8.298 11.869 11.828 1.00 0.00 C ATOM 166 C GLN A 11 -8.383 10.907 10.655 1.00 0.00 C ATOM 167 O GLN A 11 -7.893 11.201 9.564 1.00 0.00 O ATOM 168 CB GLN A 11 -7.293 11.325 12.850 1.00 0.00 C ATOM 169 CG GLN A 11 -6.717 12.368 13.798 1.00 0.00 C ATOM 170 CD GLN A 11 -7.718 12.865 14.818 1.00 0.00 C ATOM 171 OE1 GLN A 11 -7.874 12.271 15.883 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.379 13.968 14.517 1.00 0.00 N ATOM 0 H GLN A 11 -9.689 11.781 13.400 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.951 12.842 11.480 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.780 10.549 13.440 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.472 10.850 12.313 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.859 11.942 14.318 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.350 13.214 13.217 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.220 14.430 13.622 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.049 14.358 15.180 1.00 0.00 H new ATOM 181 N VAL A 12 -9.018 9.762 10.887 1.00 0.00 N ATOM 182 CA VAL A 12 -9.136 8.726 9.865 1.00 0.00 C ATOM 183 C VAL A 12 -9.905 9.240 8.650 1.00 0.00 C ATOM 184 O VAL A 12 -9.437 9.134 7.515 1.00 0.00 O ATOM 185 CB VAL A 12 -9.847 7.472 10.418 1.00 0.00 C ATOM 186 CG1 VAL A 12 -9.880 6.366 9.374 1.00 0.00 C ATOM 187 CG2 VAL A 12 -9.172 6.987 11.695 1.00 0.00 C ATOM 0 H VAL A 12 -9.460 9.527 11.776 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.123 8.458 9.564 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.875 7.744 10.658 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.385 5.492 9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.417 6.714 8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.861 6.098 9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.690 6.103 12.067 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.132 6.737 11.485 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.211 7.774 12.448 1.00 0.00 H new ATOM 197 N GLU A 13 -11.073 9.813 8.908 1.00 0.00 N ATOM 198 CA GLU A 13 -11.959 10.305 7.859 1.00 0.00 C ATOM 199 C GLU A 13 -11.258 11.327 6.969 1.00 0.00 C ATOM 200 O GLU A 13 -11.115 11.120 5.764 1.00 0.00 O ATOM 201 CB GLU A 13 -13.201 10.937 8.494 1.00 0.00 C ATOM 202 CG GLU A 13 -14.218 11.458 7.493 1.00 0.00 C ATOM 203 CD GLU A 13 -14.938 10.352 6.753 1.00 0.00 C ATOM 204 OE1 GLU A 13 -15.909 9.798 7.309 1.00 0.00 O ATOM 205 OE2 GLU A 13 -14.563 10.056 5.599 1.00 0.00 O ATOM 0 H GLU A 13 -11.434 9.950 9.852 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.249 9.460 7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.684 10.198 9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.887 11.759 9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.950 12.075 8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.714 12.102 6.772 1.00 0.00 H new ATOM 212 N GLN A 14 -10.798 12.414 7.580 1.00 0.00 N ATOM 213 CA GLN A 14 -10.233 13.534 6.835 1.00 0.00 C ATOM 214 C GLN A 14 -8.981 13.127 6.066 1.00 0.00 C ATOM 215 O GLN A 14 -8.856 13.426 4.879 1.00 0.00 O ATOM 216 CB GLN A 14 -9.912 14.697 7.776 1.00 0.00 C ATOM 217 CG GLN A 14 -11.127 15.237 8.517 1.00 0.00 C ATOM 218 CD GLN A 14 -12.218 15.724 7.585 1.00 0.00 C ATOM 219 OE1 GLN A 14 -13.095 14.960 7.182 1.00 0.00 O ATOM 220 NE2 GLN A 14 -12.186 17.001 7.247 1.00 0.00 N ATOM 0 H GLN A 14 -10.805 12.543 8.592 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.983 13.854 6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.169 14.370 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.460 15.505 7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.529 14.456 9.162 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.816 16.057 9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.443 17.604 7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.904 17.384 6.632 1.00 0.00 H new ATOM 229 N LEU A 15 -8.068 12.432 6.735 1.00 0.00 N ATOM 230 CA LEU A 15 -6.800 12.058 6.120 1.00 0.00 C ATOM 231 C LEU A 15 -7.029 11.106 4.950 1.00 0.00 C ATOM 232 O LEU A 15 -6.460 11.288 3.873 1.00 0.00 O ATOM 233 CB LEU A 15 -5.868 11.419 7.153 1.00 0.00 C ATOM 234 CG LEU A 15 -4.439 11.157 6.670 1.00 0.00 C ATOM 235 CD1 LEU A 15 -3.774 12.455 6.235 1.00 0.00 C ATOM 236 CD2 LEU A 15 -3.624 10.484 7.762 1.00 0.00 C ATOM 0 H LEU A 15 -8.181 12.117 7.699 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.326 12.963 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.825 12.066 8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.304 10.474 7.476 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.485 10.489 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.759 12.248 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.345 12.901 5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.741 13.147 7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.611 10.305 7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.588 11.129 8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.087 9.534 8.029 1.00 0.00 H new ATOM 248 N LEU A 16 -7.879 10.106 5.158 1.00 0.00 N ATOM 249 CA LEU A 16 -8.178 9.133 4.115 1.00 0.00 C ATOM 250 C LEU A 16 -8.876 9.820 2.945 1.00 0.00 C ATOM 251 O LEU A 16 -8.547 9.577 1.784 1.00 0.00 O ATOM 252 CB LEU A 16 -9.042 7.994 4.684 1.00 0.00 C ATOM 253 CG LEU A 16 -9.260 6.783 3.765 1.00 0.00 C ATOM 254 CD1 LEU A 16 -9.520 5.539 4.598 1.00 0.00 C ATOM 255 CD2 LEU A 16 -10.429 7.022 2.818 1.00 0.00 C ATOM 0 H LEU A 16 -8.372 9.949 6.037 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.246 8.701 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.582 7.644 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.017 8.403 4.948 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.358 6.639 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.674 4.685 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.664 5.349 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.410 5.690 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.563 6.150 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.337 7.190 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.224 7.897 2.201 1.00 0.00 H new ATOM 267 N ALA A 17 -9.824 10.695 3.263 1.00 0.00 N ATOM 268 CA ALA A 17 -10.565 11.426 2.245 1.00 0.00 C ATOM 269 C ALA A 17 -9.627 12.255 1.377 1.00 0.00 C ATOM 270 O ALA A 17 -9.737 12.245 0.153 1.00 0.00 O ATOM 271 CB ALA A 17 -11.619 12.317 2.886 1.00 0.00 C ATOM 0 H ALA A 17 -10.097 10.915 4.221 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.066 10.698 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.162 12.855 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.316 11.703 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.135 13.032 3.552 1.00 0.00 H new ATOM 277 N GLU A 18 -8.694 12.953 2.012 1.00 0.00 N ATOM 278 CA GLU A 18 -7.756 13.800 1.288 1.00 0.00 C ATOM 279 C GLU A 18 -6.882 12.986 0.341 1.00 0.00 C ATOM 280 O GLU A 18 -6.755 13.333 -0.829 1.00 0.00 O ATOM 281 CB GLU A 18 -6.883 14.595 2.254 1.00 0.00 C ATOM 282 CG GLU A 18 -7.643 15.668 3.014 1.00 0.00 C ATOM 283 CD GLU A 18 -6.737 16.531 3.866 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.147 17.488 3.328 1.00 0.00 O ATOM 285 OE2 GLU A 18 -6.624 16.268 5.079 1.00 0.00 O ATOM 0 H GLU A 18 -8.567 12.949 3.024 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.344 14.497 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.427 13.909 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.071 15.062 1.697 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.179 16.299 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.392 15.196 3.650 1.00 0.00 H new ATOM 292 N LEU A 19 -6.292 11.904 0.842 1.00 0.00 N ATOM 293 CA LEU A 19 -5.423 11.062 0.018 1.00 0.00 C ATOM 294 C LEU A 19 -6.147 10.568 -1.233 1.00 0.00 C ATOM 295 O LEU A 19 -5.631 10.684 -2.348 1.00 0.00 O ATOM 296 CB LEU A 19 -4.895 9.865 0.816 1.00 0.00 C ATOM 297 CG LEU A 19 -3.532 10.065 1.486 1.00 0.00 C ATOM 298 CD1 LEU A 19 -3.595 11.148 2.546 1.00 0.00 C ATOM 299 CD2 LEU A 19 -3.044 8.762 2.091 1.00 0.00 C ATOM 0 H LEU A 19 -6.397 11.590 1.807 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.580 11.680 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.625 9.614 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.829 9.006 0.148 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.825 10.384 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.613 11.267 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.898 12.089 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.320 10.867 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.074 8.921 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.759 8.417 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.947 8.011 1.307 1.00 0.00 H new ATOM 311 N LEU A 20 -7.346 10.034 -1.047 1.00 0.00 N ATOM 312 CA LEU A 20 -8.125 9.511 -2.163 1.00 0.00 C ATOM 313 C LEU A 20 -8.618 10.632 -3.074 1.00 0.00 C ATOM 314 O LEU A 20 -8.712 10.456 -4.289 1.00 0.00 O ATOM 315 CB LEU A 20 -9.317 8.681 -1.664 1.00 0.00 C ATOM 316 CG LEU A 20 -9.008 7.220 -1.312 1.00 0.00 C ATOM 317 CD1 LEU A 20 -8.074 7.123 -0.117 1.00 0.00 C ATOM 318 CD2 LEU A 20 -10.299 6.457 -1.047 1.00 0.00 C ATOM 0 H LEU A 20 -7.800 9.951 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.464 8.864 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.732 9.168 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.092 8.695 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.501 6.768 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.876 6.075 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.136 7.629 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.539 7.596 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.065 5.422 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.830 6.919 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.927 6.483 -1.938 1.00 0.00 H new ATOM 330 N ASN A 21 -8.922 11.784 -2.491 1.00 0.00 N ATOM 331 CA ASN A 21 -9.454 12.901 -3.263 1.00 0.00 C ATOM 332 C ASN A 21 -8.360 13.576 -4.083 1.00 0.00 C ATOM 333 O ASN A 21 -8.544 13.825 -5.269 1.00 0.00 O ATOM 334 CB ASN A 21 -10.138 13.923 -2.351 1.00 0.00 C ATOM 335 CG ASN A 21 -10.852 15.011 -3.134 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.296 14.791 -4.263 1.00 0.00 O ATOM 337 ND2 ASN A 21 -10.982 16.184 -2.538 1.00 0.00 N ATOM 0 H ASN A 21 -8.811 11.970 -1.494 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.198 12.498 -3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.855 13.411 -1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.394 14.378 -1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.464 16.947 -3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.600 16.326 -1.603 1.00 0.00 H new ATOM 344 N VAL A 22 -7.217 13.857 -3.459 1.00 0.00 N ATOM 345 CA VAL A 22 -6.101 14.495 -4.159 1.00 0.00 C ATOM 346 C VAL A 22 -5.654 13.642 -5.345 1.00 0.00 C ATOM 347 O VAL A 22 -5.374 14.159 -6.430 1.00 0.00 O ATOM 348 CB VAL A 22 -4.900 14.754 -3.218 1.00 0.00 C ATOM 349 CG1 VAL A 22 -3.697 15.273 -3.994 1.00 0.00 C ATOM 350 CG2 VAL A 22 -5.287 15.740 -2.124 1.00 0.00 C ATOM 0 H VAL A 22 -7.039 13.655 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.458 15.459 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.623 13.806 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.868 15.446 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.401 14.537 -4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.959 16.208 -4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.432 15.912 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.594 16.683 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.113 15.331 -1.541 1.00 0.00 H new ATOM 360 N LEU A 23 -5.619 12.332 -5.138 1.00 0.00 N ATOM 361 CA LEU A 23 -5.274 11.403 -6.203 1.00 0.00 C ATOM 362 C LEU A 23 -6.305 11.487 -7.330 1.00 0.00 C ATOM 363 O LEU A 23 -5.956 11.495 -8.514 1.00 0.00 O ATOM 364 CB LEU A 23 -5.207 9.975 -5.653 1.00 0.00 C ATOM 365 CG LEU A 23 -4.670 8.922 -6.625 1.00 0.00 C ATOM 366 CD1 LEU A 23 -3.210 9.194 -6.953 1.00 0.00 C ATOM 367 CD2 LEU A 23 -4.841 7.527 -6.043 1.00 0.00 C ATOM 0 H LEU A 23 -5.825 11.890 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.296 11.672 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.579 9.976 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.207 9.678 -5.338 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.243 8.980 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.845 8.435 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.117 10.178 -7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.620 9.164 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.454 6.789 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.293 7.455 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.899 7.336 -5.862 1.00 0.00 H new ATOM 379 N GLU A 24 -7.574 11.581 -6.950 1.00 0.00 N ATOM 380 CA GLU A 24 -8.665 11.642 -7.915 1.00 0.00 C ATOM 381 C GLU A 24 -8.715 13.007 -8.606 1.00 0.00 C ATOM 382 O GLU A 24 -9.236 13.130 -9.711 1.00 0.00 O ATOM 383 CB GLU A 24 -10.000 11.366 -7.225 1.00 0.00 C ATOM 384 CG GLU A 24 -11.139 11.117 -8.197 1.00 0.00 C ATOM 385 CD GLU A 24 -12.496 11.303 -7.562 1.00 0.00 C ATOM 386 OE1 GLU A 24 -12.898 10.458 -6.740 1.00 0.00 O ATOM 387 OE2 GLU A 24 -13.167 12.304 -7.890 1.00 0.00 O ATOM 0 H GLU A 24 -7.873 11.617 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.485 10.878 -8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.892 10.499 -6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.254 12.213 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.043 11.795 -9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.062 10.103 -8.589 1.00 0.00 H new ATOM 394 N LYS A 25 -8.177 14.028 -7.948 1.00 0.00 N ATOM 395 CA LYS A 25 -8.134 15.376 -8.515 1.00 0.00 C ATOM 396 C LYS A 25 -7.295 15.406 -9.789 1.00 0.00 C ATOM 397 O LYS A 25 -7.501 16.250 -10.661 1.00 0.00 O ATOM 398 CB LYS A 25 -7.585 16.372 -7.491 1.00 0.00 C ATOM 399 CG LYS A 25 -8.572 16.716 -6.384 1.00 0.00 C ATOM 400 CD LYS A 25 -7.920 17.509 -5.261 1.00 0.00 C ATOM 401 CE LYS A 25 -7.304 18.810 -5.755 1.00 0.00 C ATOM 402 NZ LYS A 25 -8.306 19.708 -6.389 1.00 0.00 N ATOM 0 H LYS A 25 -7.763 13.950 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.153 15.667 -8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.680 15.959 -7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.297 17.288 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.398 17.292 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.997 15.797 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.664 17.729 -4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.148 16.900 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.835 19.327 -4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.516 18.586 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.865 20.625 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.650 19.277 -7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.105 19.850 -5.739 1.00 0.00 H new ATOM 416 N HIS A 26 -6.349 14.482 -9.893 1.00 0.00 N ATOM 417 CA HIS A 26 -5.544 14.356 -11.102 1.00 0.00 C ATOM 418 C HIS A 26 -5.946 13.105 -11.870 1.00 0.00 C ATOM 419 O HIS A 26 -5.543 12.912 -13.019 1.00 0.00 O ATOM 420 CB HIS A 26 -4.051 14.296 -10.762 1.00 0.00 C ATOM 421 CG HIS A 26 -3.556 15.474 -9.978 1.00 0.00 C ATOM 422 ND1 HIS A 26 -3.299 16.704 -10.540 1.00 0.00 N ATOM 423 CD2 HIS A 26 -3.264 15.597 -8.663 1.00 0.00 C ATOM 424 CE1 HIS A 26 -2.870 17.530 -9.605 1.00 0.00 C ATOM 425 NE2 HIS A 26 -2.839 16.883 -8.457 1.00 0.00 N ATOM 0 H HIS A 26 -6.120 13.812 -9.159 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.723 15.235 -11.722 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.854 13.386 -10.194 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.481 14.223 -11.688 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.350 14.824 -7.914 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.591 18.563 -9.755 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.547 17.275 -7.562 1.00 0.00 H new ATOM 434 N LYS A 27 -6.748 12.264 -11.214 1.00 0.00 N ATOM 435 CA LYS A 27 -7.195 10.988 -11.769 1.00 0.00 C ATOM 436 C LYS A 27 -6.023 10.156 -12.267 1.00 0.00 C ATOM 437 O LYS A 27 -5.811 10.010 -13.473 1.00 0.00 O ATOM 438 CB LYS A 27 -8.225 11.179 -12.887 1.00 0.00 C ATOM 439 CG LYS A 27 -9.603 11.576 -12.386 1.00 0.00 C ATOM 440 CD LYS A 27 -10.643 11.486 -13.489 1.00 0.00 C ATOM 441 CE LYS A 27 -12.048 11.698 -12.953 1.00 0.00 C ATOM 442 NZ LYS A 27 -13.077 11.384 -13.978 1.00 0.00 N ATOM 0 H LYS A 27 -7.107 12.451 -10.278 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.680 10.447 -10.956 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.864 11.944 -13.575 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.308 10.252 -13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.891 10.928 -11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.571 12.594 -11.997 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.428 12.233 -14.254 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.580 10.510 -13.970 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.203 11.069 -12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.162 12.732 -12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.024 11.540 -13.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.944 12.002 -14.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.984 10.390 -14.270 1.00 0.00 H new ATOM 456 N ALA A 28 -5.252 9.632 -11.331 1.00 0.00 N ATOM 457 CA ALA A 28 -4.144 8.763 -11.669 1.00 0.00 C ATOM 458 C ALA A 28 -4.654 7.361 -11.972 1.00 0.00 C ATOM 459 O ALA A 28 -5.395 6.779 -11.176 1.00 0.00 O ATOM 460 CB ALA A 28 -3.130 8.728 -10.538 1.00 0.00 C ATOM 0 H ALA A 28 -5.374 9.794 -10.331 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.650 9.156 -12.558 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.305 8.070 -10.810 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.749 9.734 -10.360 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.608 8.355 -9.632 1.00 0.00 H new ATOM 466 N PRO A 29 -4.297 6.819 -13.143 1.00 0.00 N ATOM 467 CA PRO A 29 -4.670 5.456 -13.535 1.00 0.00 C ATOM 468 C PRO A 29 -4.138 4.420 -12.549 1.00 0.00 C ATOM 469 O PRO A 29 -3.175 4.683 -11.827 1.00 0.00 O ATOM 470 CB PRO A 29 -4.012 5.280 -14.907 1.00 0.00 C ATOM 471 CG PRO A 29 -3.781 6.665 -15.404 1.00 0.00 C ATOM 472 CD PRO A 29 -3.509 7.494 -14.185 1.00 0.00 C ATOM 0 HA PRO A 29 -5.751 5.314 -13.554 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.076 4.728 -14.828 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.656 4.720 -15.585 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.939 6.697 -16.095 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.651 7.037 -15.944 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.447 7.514 -13.939 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.824 8.529 -14.322 1.00 0.00 H new ATOM 480 N THR A 30 -4.759 3.246 -12.531 1.00 0.00 N ATOM 481 CA THR A 30 -4.409 2.199 -11.580 1.00 0.00 C ATOM 482 C THR A 30 -2.920 1.848 -11.657 1.00 0.00 C ATOM 483 O THR A 30 -2.255 1.725 -10.628 1.00 0.00 O ATOM 484 CB THR A 30 -5.259 0.939 -11.831 1.00 0.00 C ATOM 485 OG1 THR A 30 -6.627 1.320 -12.036 1.00 0.00 O ATOM 486 CG2 THR A 30 -5.171 -0.023 -10.654 1.00 0.00 C ATOM 0 H THR A 30 -5.513 2.995 -13.170 1.00 0.00 H new ATOM 0 HA THR A 30 -4.617 2.579 -10.580 1.00 0.00 H new ATOM 0 HB THR A 30 -4.875 0.434 -12.717 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.169 0.520 -12.198 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.780 -0.904 -10.858 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.134 -0.325 -10.508 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.536 0.470 -9.753 1.00 0.00 H new ATOM 494 N ASP A 31 -2.404 1.716 -12.877 1.00 0.00 N ATOM 495 CA ASP A 31 -0.986 1.417 -13.090 1.00 0.00 C ATOM 496 C ASP A 31 -0.103 2.485 -12.458 1.00 0.00 C ATOM 497 O ASP A 31 0.861 2.178 -11.753 1.00 0.00 O ATOM 498 CB ASP A 31 -0.665 1.317 -14.584 1.00 0.00 C ATOM 499 CG ASP A 31 -1.150 0.027 -15.209 1.00 0.00 C ATOM 500 OD1 ASP A 31 -2.342 -0.049 -15.576 1.00 0.00 O ATOM 501 OD2 ASP A 31 -0.338 -0.909 -15.353 1.00 0.00 O ATOM 0 H ASP A 31 -2.946 1.811 -13.736 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.782 0.457 -12.616 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.120 2.160 -15.105 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.413 1.399 -14.725 1.00 0.00 H new ATOM 506 N LEU A 32 -0.447 3.743 -12.703 1.00 0.00 N ATOM 507 CA LEU A 32 0.318 4.861 -12.174 1.00 0.00 C ATOM 508 C LEU A 32 0.192 4.922 -10.657 1.00 0.00 C ATOM 509 O LEU A 32 1.168 5.178 -9.957 1.00 0.00 O ATOM 510 CB LEU A 32 -0.155 6.177 -12.798 1.00 0.00 C ATOM 511 CG LEU A 32 0.559 7.437 -12.295 1.00 0.00 C ATOM 512 CD1 LEU A 32 2.051 7.357 -12.573 1.00 0.00 C ATOM 513 CD2 LEU A 32 -0.034 8.678 -12.940 1.00 0.00 C ATOM 0 H LEU A 32 -1.253 4.013 -13.266 1.00 0.00 H new ATOM 0 HA LEU A 32 1.367 4.712 -12.431 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.027 6.114 -13.879 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.223 6.286 -12.610 1.00 0.00 H new ATOM 0 HG LEU A 32 0.414 7.503 -11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.538 8.261 -12.208 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.470 6.489 -12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.217 7.264 -13.646 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.485 9.563 -12.571 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.080 8.615 -14.022 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.093 8.748 -12.690 1.00 0.00 H new ATOM 525 N SER A 33 -1.011 4.671 -10.160 1.00 0.00 N ATOM 526 CA SER A 33 -1.270 4.698 -8.730 1.00 0.00 C ATOM 527 C SER A 33 -0.422 3.649 -8.009 1.00 0.00 C ATOM 528 O SER A 33 0.131 3.914 -6.942 1.00 0.00 O ATOM 529 CB SER A 33 -2.760 4.465 -8.465 1.00 0.00 C ATOM 530 OG SER A 33 -3.087 4.706 -7.109 1.00 0.00 O ATOM 0 H SER A 33 -1.826 4.445 -10.730 1.00 0.00 H new ATOM 0 HA SER A 33 -0.995 5.679 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.352 5.119 -9.105 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.022 3.440 -8.727 1.00 0.00 H new ATOM 0 HG SER A 33 -2.990 3.876 -6.597 1.00 0.00 H new ATOM 536 N LEU A 34 -0.297 2.468 -8.613 1.00 0.00 N ATOM 537 CA LEU A 34 0.522 1.401 -8.047 1.00 0.00 C ATOM 538 C LEU A 34 1.989 1.818 -7.996 1.00 0.00 C ATOM 539 O LEU A 34 2.718 1.457 -7.070 1.00 0.00 O ATOM 540 CB LEU A 34 0.374 0.111 -8.860 1.00 0.00 C ATOM 541 CG LEU A 34 -1.025 -0.510 -8.854 1.00 0.00 C ATOM 542 CD1 LEU A 34 -1.053 -1.765 -9.712 1.00 0.00 C ATOM 543 CD2 LEU A 34 -1.465 -0.828 -7.434 1.00 0.00 C ATOM 0 H LEU A 34 -0.753 2.228 -9.493 1.00 0.00 H new ATOM 0 HA LEU A 34 0.174 1.215 -7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.657 0.317 -9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.081 -0.624 -8.476 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.723 0.214 -9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.055 -2.194 -9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.783 -1.511 -10.737 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.342 -2.491 -9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.462 -1.269 -7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.765 -1.533 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.484 0.089 -6.845 1.00 0.00 H new ATOM 555 N MET A 35 2.419 2.579 -8.994 1.00 0.00 N ATOM 556 CA MET A 35 3.778 3.106 -9.018 1.00 0.00 C ATOM 557 C MET A 35 3.953 4.175 -7.946 1.00 0.00 C ATOM 558 O MET A 35 4.919 4.151 -7.183 1.00 0.00 O ATOM 559 CB MET A 35 4.107 3.693 -10.392 1.00 0.00 C ATOM 560 CG MET A 35 4.206 2.657 -11.499 1.00 0.00 C ATOM 561 SD MET A 35 4.641 3.389 -13.087 1.00 0.00 S ATOM 562 CE MET A 35 6.179 4.209 -12.667 1.00 0.00 C ATOM 0 H MET A 35 1.848 2.845 -9.796 1.00 0.00 H new ATOM 0 HA MET A 35 4.463 2.283 -8.815 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.341 4.421 -10.657 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.052 4.233 -10.328 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.953 1.911 -11.229 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.253 2.135 -11.591 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.757 4.384 -13.574 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.963 5.162 -12.184 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.753 3.580 -11.987 1.00 0.00 H new ATOM 572 N VAL A 36 3.005 5.102 -7.895 1.00 0.00 N ATOM 573 CA VAL A 36 3.032 6.191 -6.925 1.00 0.00 C ATOM 574 C VAL A 36 3.024 5.655 -5.496 1.00 0.00 C ATOM 575 O VAL A 36 3.950 5.912 -4.726 1.00 0.00 O ATOM 576 CB VAL A 36 1.836 7.150 -7.131 1.00 0.00 C ATOM 577 CG1 VAL A 36 1.753 8.180 -6.014 1.00 0.00 C ATOM 578 CG2 VAL A 36 1.945 7.845 -8.480 1.00 0.00 C ATOM 0 H VAL A 36 2.200 5.121 -8.521 1.00 0.00 H new ATOM 0 HA VAL A 36 3.957 6.745 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 36 0.922 6.556 -7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.902 8.838 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.628 7.671 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.670 8.769 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.097 8.517 -8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.872 8.417 -8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.944 7.099 -9.275 1.00 0.00 H new ATOM 588 N LEU A 37 1.993 4.888 -5.158 1.00 0.00 N ATOM 589 CA LEU A 37 1.852 4.342 -3.814 1.00 0.00 C ATOM 590 C LEU A 37 2.997 3.392 -3.493 1.00 0.00 C ATOM 591 O LEU A 37 3.498 3.372 -2.370 1.00 0.00 O ATOM 592 CB LEU A 37 0.509 3.622 -3.666 1.00 0.00 C ATOM 593 CG LEU A 37 -0.727 4.513 -3.824 1.00 0.00 C ATOM 594 CD1 LEU A 37 -1.998 3.685 -3.742 1.00 0.00 C ATOM 595 CD2 LEU A 37 -0.733 5.605 -2.765 1.00 0.00 C ATOM 0 H LEU A 37 1.242 4.630 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 37 1.884 5.171 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.459 2.823 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.474 3.149 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.688 4.984 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.865 4.336 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.998 2.938 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.045 3.185 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.618 6.229 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.748 5.151 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.162 6.218 -2.870 1.00 0.00 H new ATOM 607 N GLY A 38 3.420 2.623 -4.491 1.00 0.00 N ATOM 608 CA GLY A 38 4.520 1.697 -4.303 1.00 0.00 C ATOM 609 C GLY A 38 5.785 2.390 -3.840 1.00 0.00 C ATOM 610 O GLY A 38 6.358 2.024 -2.813 1.00 0.00 O ATOM 0 H GLY A 38 3.019 2.625 -5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.234 0.941 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.717 1.175 -5.240 1.00 0.00 H new ATOM 614 N ASN A 39 6.211 3.405 -4.581 1.00 0.00 N ATOM 615 CA ASN A 39 7.416 4.151 -4.235 1.00 0.00 C ATOM 616 C ASN A 39 7.212 4.941 -2.946 1.00 0.00 C ATOM 617 O ASN A 39 8.136 5.092 -2.148 1.00 0.00 O ATOM 618 CB ASN A 39 7.819 5.096 -5.373 1.00 0.00 C ATOM 619 CG ASN A 39 8.426 4.365 -6.558 1.00 0.00 C ATOM 620 OD1 ASN A 39 9.634 4.141 -6.609 1.00 0.00 O ATOM 621 ND2 ASN A 39 7.596 3.996 -7.522 1.00 0.00 N ATOM 0 H ASN A 39 5.741 3.731 -5.425 1.00 0.00 H new ATOM 0 HA ASN A 39 8.220 3.432 -4.080 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.942 5.652 -5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.535 5.826 -4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.953 3.508 -8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.600 4.200 -7.443 1.00 0.00 H new ATOM 628 N MET A 40 5.991 5.425 -2.745 1.00 0.00 N ATOM 629 CA MET A 40 5.652 6.193 -1.551 1.00 0.00 C ATOM 630 C MET A 40 5.819 5.346 -0.290 1.00 0.00 C ATOM 631 O MET A 40 6.528 5.738 0.638 1.00 0.00 O ATOM 632 CB MET A 40 4.215 6.713 -1.647 1.00 0.00 C ATOM 633 CG MET A 40 3.777 7.537 -0.446 1.00 0.00 C ATOM 634 SD MET A 40 2.081 8.130 -0.598 1.00 0.00 S ATOM 635 CE MET A 40 1.894 9.025 0.939 1.00 0.00 C ATOM 0 H MET A 40 5.216 5.299 -3.396 1.00 0.00 H new ATOM 0 HA MET A 40 6.335 7.040 -1.487 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.118 7.320 -2.547 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.539 5.865 -1.760 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.868 6.934 0.457 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.447 8.389 -0.330 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.836 9.206 1.128 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.313 8.437 1.756 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.419 9.978 0.871 1.00 0.00 H new ATOM 645 N VAL A 41 5.174 4.183 -0.267 1.00 0.00 N ATOM 646 CA VAL A 41 5.248 3.291 0.887 1.00 0.00 C ATOM 647 C VAL A 41 6.675 2.788 1.089 1.00 0.00 C ATOM 648 O VAL A 41 7.176 2.755 2.214 1.00 0.00 O ATOM 649 CB VAL A 41 4.289 2.086 0.739 1.00 0.00 C ATOM 650 CG1 VAL A 41 4.396 1.152 1.936 1.00 0.00 C ATOM 651 CG2 VAL A 41 2.854 2.565 0.572 1.00 0.00 C ATOM 0 H VAL A 41 4.595 3.836 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 41 4.942 3.867 1.760 1.00 0.00 H new ATOM 0 HB VAL A 41 4.581 1.532 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.711 0.314 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.417 0.778 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.137 1.695 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.193 1.705 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.560 3.146 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.780 3.188 -0.319 1.00 0.00 H new ATOM 661 N THR A 42 7.328 2.421 -0.010 1.00 0.00 N ATOM 662 CA THR A 42 8.709 1.955 0.038 1.00 0.00 C ATOM 663 C THR A 42 9.616 3.002 0.681 1.00 0.00 C ATOM 664 O THR A 42 10.401 2.688 1.579 1.00 0.00 O ATOM 665 CB THR A 42 9.233 1.613 -1.373 1.00 0.00 C ATOM 666 OG1 THR A 42 8.411 0.600 -1.958 1.00 0.00 O ATOM 667 CG2 THR A 42 10.678 1.130 -1.330 1.00 0.00 C ATOM 0 H THR A 42 6.922 2.438 -0.945 1.00 0.00 H new ATOM 0 HA THR A 42 8.725 1.050 0.645 1.00 0.00 H new ATOM 0 HB THR A 42 9.195 2.521 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.508 0.954 -2.102 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.014 0.898 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.310 1.911 -0.907 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.744 0.235 -0.711 1.00 0.00 H new ATOM 675 N ASN A 43 9.487 4.247 0.235 1.00 0.00 N ATOM 676 CA ASN A 43 10.285 5.344 0.776 1.00 0.00 C ATOM 677 C ASN A 43 10.073 5.473 2.281 1.00 0.00 C ATOM 678 O ASN A 43 11.034 5.521 3.050 1.00 0.00 O ATOM 679 CB ASN A 43 9.918 6.662 0.089 1.00 0.00 C ATOM 680 CG ASN A 43 10.732 7.840 0.598 1.00 0.00 C ATOM 681 OD1 ASN A 43 11.888 7.693 0.992 1.00 0.00 O ATOM 682 ND2 ASN A 43 10.126 9.018 0.598 1.00 0.00 N ATOM 0 H ASN A 43 8.837 4.523 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 43 11.335 5.123 0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.068 6.560 -0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.858 6.864 0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.619 9.845 0.933 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.166 9.098 0.263 1.00 0.00 H new ATOM 689 N LEU A 44 8.808 5.494 2.689 1.00 0.00 N ATOM 690 CA LEU A 44 8.441 5.658 4.093 1.00 0.00 C ATOM 691 C LEU A 44 9.092 4.586 4.967 1.00 0.00 C ATOM 692 O LEU A 44 9.747 4.896 5.961 1.00 0.00 O ATOM 693 CB LEU A 44 6.917 5.599 4.243 1.00 0.00 C ATOM 694 CG LEU A 44 6.387 5.771 5.670 1.00 0.00 C ATOM 695 CD1 LEU A 44 6.711 7.159 6.202 1.00 0.00 C ATOM 696 CD2 LEU A 44 4.888 5.517 5.714 1.00 0.00 C ATOM 0 H LEU A 44 8.011 5.398 2.060 1.00 0.00 H new ATOM 0 HA LEU A 44 8.803 6.631 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.477 6.374 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.568 4.641 3.858 1.00 0.00 H new ATOM 0 HG LEU A 44 6.880 5.039 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.325 7.259 7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.791 7.303 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.249 7.911 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.527 5.643 6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.380 6.225 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.681 4.500 5.379 1.00 0.00 H new ATOM 708 N ILE A 45 8.931 3.329 4.573 1.00 0.00 N ATOM 709 CA ILE A 45 9.429 2.206 5.365 1.00 0.00 C ATOM 710 C ILE A 45 10.959 2.196 5.442 1.00 0.00 C ATOM 711 O ILE A 45 11.533 1.798 6.453 1.00 0.00 O ATOM 712 CB ILE A 45 8.928 0.858 4.794 1.00 0.00 C ATOM 713 CG1 ILE A 45 7.398 0.824 4.787 1.00 0.00 C ATOM 714 CG2 ILE A 45 9.480 -0.312 5.599 1.00 0.00 C ATOM 715 CD1 ILE A 45 6.820 -0.456 4.217 1.00 0.00 C ATOM 0 H ILE A 45 8.460 3.059 3.710 1.00 0.00 H new ATOM 0 HA ILE A 45 9.037 2.334 6.374 1.00 0.00 H new ATOM 0 HB ILE A 45 9.288 0.765 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.036 0.953 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.027 1.669 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.114 -1.248 5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.569 -0.298 5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.153 -0.227 6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.731 -0.408 4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.152 -0.578 3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.161 -1.305 4.810 1.00 0.00 H new ATOM 727 N ASN A 46 11.617 2.654 4.387 1.00 0.00 N ATOM 728 CA ASN A 46 13.077 2.603 4.327 1.00 0.00 C ATOM 729 C ASN A 46 13.727 3.765 5.074 1.00 0.00 C ATOM 730 O ASN A 46 14.878 3.665 5.496 1.00 0.00 O ATOM 731 CB ASN A 46 13.565 2.589 2.875 1.00 0.00 C ATOM 732 CG ASN A 46 13.503 1.212 2.238 1.00 0.00 C ATOM 733 OD1 ASN A 46 14.465 0.449 2.282 1.00 0.00 O ATOM 734 ND2 ASN A 46 12.372 0.882 1.641 1.00 0.00 N ATOM 0 H ASN A 46 11.171 3.062 3.566 1.00 0.00 H new ATOM 0 HA ASN A 46 13.376 1.677 4.818 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.961 3.281 2.289 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.592 2.953 2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.277 -0.032 1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.593 1.541 1.624 1.00 0.00 H new ATOM 741 N THR A 47 12.999 4.859 5.246 1.00 0.00 N ATOM 742 CA THR A 47 13.579 6.056 5.837 1.00 0.00 C ATOM 743 C THR A 47 13.035 6.337 7.240 1.00 0.00 C ATOM 744 O THR A 47 13.796 6.670 8.150 1.00 0.00 O ATOM 745 CB THR A 47 13.347 7.285 4.935 1.00 0.00 C ATOM 746 OG1 THR A 47 11.953 7.413 4.623 1.00 0.00 O ATOM 747 CG2 THR A 47 14.150 7.169 3.649 1.00 0.00 C ATOM 0 H THR A 47 12.016 4.943 4.988 1.00 0.00 H new ATOM 0 HA THR A 47 14.649 5.869 5.925 1.00 0.00 H new ATOM 0 HB THR A 47 13.679 8.171 5.476 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.669 6.652 4.074 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.971 8.047 3.028 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.212 7.104 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.844 6.273 3.108 1.00 0.00 H new ATOM 755 N SER A 48 11.730 6.191 7.418 1.00 0.00 N ATOM 756 CA SER A 48 11.090 6.540 8.681 1.00 0.00 C ATOM 757 C SER A 48 11.021 5.348 9.634 1.00 0.00 C ATOM 758 O SER A 48 10.569 5.483 10.772 1.00 0.00 O ATOM 759 CB SER A 48 9.689 7.083 8.414 1.00 0.00 C ATOM 760 OG SER A 48 9.743 8.235 7.588 1.00 0.00 O ATOM 0 H SER A 48 11.093 5.834 6.706 1.00 0.00 H new ATOM 0 HA SER A 48 11.696 7.307 9.163 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.082 6.315 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.204 7.330 9.358 1.00 0.00 H new ATOM 0 HG SER A 48 8.859 8.658 7.558 1.00 0.00 H new ATOM 766 N ILE A 49 11.462 4.188 9.172 1.00 0.00 N ATOM 767 CA ILE A 49 11.460 2.989 9.996 1.00 0.00 C ATOM 768 C ILE A 49 12.880 2.447 10.122 1.00 0.00 C ATOM 769 O ILE A 49 13.684 2.595 9.199 1.00 0.00 O ATOM 770 CB ILE A 49 10.517 1.908 9.407 1.00 0.00 C ATOM 771 CG1 ILE A 49 9.091 2.460 9.302 1.00 0.00 C ATOM 772 CG2 ILE A 49 10.537 0.640 10.255 1.00 0.00 C ATOM 773 CD1 ILE A 49 8.097 1.488 8.701 1.00 0.00 C ATOM 0 H ILE A 49 11.826 4.051 8.229 1.00 0.00 H new ATOM 0 HA ILE A 49 11.088 3.251 10.987 1.00 0.00 H new ATOM 0 HB ILE A 49 10.872 1.648 8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.749 2.745 10.297 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.107 3.367 8.698 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.867 -0.100 9.818 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.550 0.239 10.286 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.208 0.874 11.268 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.112 1.953 8.661 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.413 1.221 7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.049 0.589 9.316 1.00 0.00 H new ATOM 785 N ALA A 50 13.190 1.858 11.280 1.00 0.00 N ATOM 786 CA ALA A 50 14.508 1.288 11.535 1.00 0.00 C ATOM 787 C ALA A 50 14.914 0.326 10.423 1.00 0.00 C ATOM 788 O ALA A 50 14.199 -0.635 10.135 1.00 0.00 O ATOM 789 CB ALA A 50 14.525 0.578 12.879 1.00 0.00 C ATOM 0 H ALA A 50 12.538 1.765 12.059 1.00 0.00 H new ATOM 0 HA ALA A 50 15.231 2.104 11.558 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.515 0.158 13.056 1.00 0.00 H new ATOM 0 HB2 ALA A 50 14.286 1.290 13.669 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.786 -0.223 12.877 1.00 0.00 H new ATOM 795 N PRO A 51 16.069 0.581 9.788 1.00 0.00 N ATOM 796 CA PRO A 51 16.552 -0.205 8.647 1.00 0.00 C ATOM 797 C PRO A 51 16.532 -1.714 8.885 1.00 0.00 C ATOM 798 O PRO A 51 16.191 -2.479 7.987 1.00 0.00 O ATOM 799 CB PRO A 51 17.986 0.287 8.462 1.00 0.00 C ATOM 800 CG PRO A 51 17.966 1.683 8.975 1.00 0.00 C ATOM 801 CD PRO A 51 16.995 1.682 10.123 1.00 0.00 C ATOM 0 HA PRO A 51 15.912 -0.066 7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 51 18.693 -0.330 9.017 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.286 0.253 7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 51 18.958 1.994 9.302 1.00 0.00 H new ATOM 0 HG3 PRO A 51 17.653 2.381 8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 51 17.498 1.508 11.074 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.472 2.635 10.208 1.00 0.00 H new ATOM 809 N ALA A 52 16.889 -2.137 10.093 1.00 0.00 N ATOM 810 CA ALA A 52 16.928 -3.559 10.427 1.00 0.00 C ATOM 811 C ALA A 52 15.527 -4.172 10.475 1.00 0.00 C ATOM 812 O ALA A 52 15.369 -5.386 10.336 1.00 0.00 O ATOM 813 CB ALA A 52 17.636 -3.770 11.756 1.00 0.00 C ATOM 0 H ALA A 52 17.156 -1.517 10.858 1.00 0.00 H new ATOM 0 HA ALA A 52 17.484 -4.065 9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.657 -4.834 11.992 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.656 -3.393 11.689 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.102 -3.235 12.542 1.00 0.00 H new ATOM 819 N GLN A 53 14.512 -3.338 10.666 1.00 0.00 N ATOM 820 CA GLN A 53 13.141 -3.822 10.777 1.00 0.00 C ATOM 821 C GLN A 53 12.354 -3.564 9.501 1.00 0.00 C ATOM 822 O GLN A 53 11.249 -4.080 9.338 1.00 0.00 O ATOM 823 CB GLN A 53 12.412 -3.146 11.939 1.00 0.00 C ATOM 824 CG GLN A 53 13.017 -3.413 13.304 1.00 0.00 C ATOM 825 CD GLN A 53 12.164 -2.844 14.422 1.00 0.00 C ATOM 826 OE1 GLN A 53 10.939 -2.770 14.309 1.00 0.00 O ATOM 827 NE2 GLN A 53 12.801 -2.428 15.501 1.00 0.00 N ATOM 0 H GLN A 53 14.611 -2.326 10.747 1.00 0.00 H new ATOM 0 HA GLN A 53 13.202 -4.896 10.953 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.399 -2.070 11.766 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.375 -3.481 11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.132 -4.488 13.446 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.015 -2.977 13.351 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.816 -2.507 15.556 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.278 -2.028 16.280 1.00 0.00 H new ATOM 836 N ARG A 54 12.916 -2.776 8.594 1.00 0.00 N ATOM 837 CA ARG A 54 12.168 -2.314 7.429 1.00 0.00 C ATOM 838 C ARG A 54 11.757 -3.479 6.530 1.00 0.00 C ATOM 839 O ARG A 54 10.711 -3.430 5.885 1.00 0.00 O ATOM 840 CB ARG A 54 12.964 -1.264 6.645 1.00 0.00 C ATOM 841 CG ARG A 54 14.070 -1.814 5.758 1.00 0.00 C ATOM 842 CD ARG A 54 14.970 -0.691 5.266 1.00 0.00 C ATOM 843 NE ARG A 54 15.818 -1.084 4.142 1.00 0.00 N ATOM 844 CZ ARG A 54 16.978 -1.733 4.256 1.00 0.00 C ATOM 845 NH1 ARG A 54 17.363 -2.227 5.428 1.00 0.00 N ATOM 846 NH2 ARG A 54 17.734 -1.915 3.182 1.00 0.00 N ATOM 0 H ARG A 54 13.880 -2.445 8.640 1.00 0.00 H new ATOM 0 HA ARG A 54 11.254 -1.842 7.790 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.271 -0.697 6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.404 -0.563 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.660 -2.543 6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.635 -2.338 4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.353 0.157 4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.601 -0.353 6.088 1.00 0.00 H new ATOM 0 HE ARG A 54 15.500 -0.845 3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.770 -2.111 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.252 -2.722 5.506 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.427 -1.560 2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.622 -2.410 3.261 1.00 0.00 H new ATOM 860 N GLN A 55 12.562 -4.535 6.506 1.00 0.00 N ATOM 861 CA GLN A 55 12.219 -5.719 5.731 1.00 0.00 C ATOM 862 C GLN A 55 11.107 -6.499 6.428 1.00 0.00 C ATOM 863 O GLN A 55 10.217 -7.052 5.781 1.00 0.00 O ATOM 864 CB GLN A 55 13.445 -6.611 5.525 1.00 0.00 C ATOM 865 CG GLN A 55 13.182 -7.789 4.601 1.00 0.00 C ATOM 866 CD GLN A 55 14.402 -8.667 4.403 1.00 0.00 C ATOM 867 OE1 GLN A 55 15.541 -8.199 4.466 1.00 0.00 O ATOM 868 NE2 GLN A 55 14.175 -9.947 4.156 1.00 0.00 N ATOM 0 H GLN A 55 13.447 -4.595 7.009 1.00 0.00 H new ATOM 0 HA GLN A 55 11.865 -5.397 4.752 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.258 -6.011 5.115 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.781 -6.985 6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.370 -8.391 5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.847 -7.417 3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.218 -10.296 4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.957 -10.585 4.010 1.00 0.00 H new ATOM 877 N ALA A 56 11.154 -6.521 7.754 1.00 0.00 N ATOM 878 CA ALA A 56 10.143 -7.209 8.541 1.00 0.00 C ATOM 879 C ALA A 56 8.806 -6.486 8.438 1.00 0.00 C ATOM 880 O ALA A 56 7.760 -7.114 8.269 1.00 0.00 O ATOM 881 CB ALA A 56 10.579 -7.318 9.994 1.00 0.00 C ATOM 0 H ALA A 56 11.883 -6.069 8.306 1.00 0.00 H new ATOM 0 HA ALA A 56 10.023 -8.216 8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.810 -7.836 10.567 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.513 -7.877 10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.727 -6.320 10.405 1.00 0.00 H new ATOM 887 N ILE A 57 8.853 -5.161 8.525 1.00 0.00 N ATOM 888 CA ILE A 57 7.659 -4.339 8.381 1.00 0.00 C ATOM 889 C ILE A 57 7.061 -4.512 6.987 1.00 0.00 C ATOM 890 O ILE A 57 5.843 -4.562 6.828 1.00 0.00 O ATOM 891 CB ILE A 57 7.962 -2.842 8.636 1.00 0.00 C ATOM 892 CG1 ILE A 57 8.504 -2.638 10.055 1.00 0.00 C ATOM 893 CG2 ILE A 57 6.717 -1.991 8.411 1.00 0.00 C ATOM 894 CD1 ILE A 57 7.561 -3.096 11.147 1.00 0.00 C ATOM 0 H ILE A 57 9.709 -4.633 8.695 1.00 0.00 H new ATOM 0 HA ILE A 57 6.940 -4.672 9.130 1.00 0.00 H new ATOM 0 HB ILE A 57 8.725 -2.523 7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.446 -3.177 10.154 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.725 -1.580 10.200 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.954 -0.943 8.596 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.376 -2.110 7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.930 -2.311 9.093 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.018 -2.918 12.121 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.626 -2.540 11.077 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.359 -4.161 11.030 1.00 0.00 H new ATOM 906 N ALA A 58 7.930 -4.624 5.985 1.00 0.00 N ATOM 907 CA ALA A 58 7.495 -4.867 4.614 1.00 0.00 C ATOM 908 C ALA A 58 6.677 -6.150 4.528 1.00 0.00 C ATOM 909 O ALA A 58 5.593 -6.171 3.943 1.00 0.00 O ATOM 910 CB ALA A 58 8.694 -4.943 3.684 1.00 0.00 C ATOM 0 H ALA A 58 8.941 -4.550 6.098 1.00 0.00 H new ATOM 0 HA ALA A 58 6.863 -4.035 4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.353 -5.125 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.243 -4.002 3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.347 -5.757 3.998 1.00 0.00 H new ATOM 916 N ASN A 59 7.205 -7.216 5.121 1.00 0.00 N ATOM 917 CA ASN A 59 6.503 -8.498 5.169 1.00 0.00 C ATOM 918 C ASN A 59 5.185 -8.358 5.923 1.00 0.00 C ATOM 919 O ASN A 59 4.156 -8.882 5.501 1.00 0.00 O ATOM 920 CB ASN A 59 7.364 -9.567 5.852 1.00 0.00 C ATOM 921 CG ASN A 59 8.596 -9.953 5.054 1.00 0.00 C ATOM 922 OD1 ASN A 59 8.596 -9.928 3.822 1.00 0.00 O ATOM 923 ND2 ASN A 59 9.659 -10.322 5.754 1.00 0.00 N ATOM 0 H ASN A 59 8.118 -7.219 5.576 1.00 0.00 H new ATOM 0 HA ASN A 59 6.302 -8.805 4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.675 -9.201 6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.758 -10.457 6.022 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.515 -10.598 5.274 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.621 -10.330 6.773 1.00 0.00 H new ATOM 930 N SER A 60 5.228 -7.639 7.038 1.00 0.00 N ATOM 931 CA SER A 60 4.055 -7.438 7.879 1.00 0.00 C ATOM 932 C SER A 60 2.965 -6.689 7.115 1.00 0.00 C ATOM 933 O SER A 60 1.792 -7.069 7.153 1.00 0.00 O ATOM 934 CB SER A 60 4.451 -6.668 9.144 1.00 0.00 C ATOM 935 OG SER A 60 3.387 -6.620 10.081 1.00 0.00 O ATOM 0 H SER A 60 6.072 -7.181 7.383 1.00 0.00 H new ATOM 0 HA SER A 60 3.657 -8.411 8.166 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.319 -7.142 9.602 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.746 -5.654 8.876 1.00 0.00 H new ATOM 0 HG SER A 60 3.673 -6.124 10.876 1.00 0.00 H new ATOM 941 N PHE A 61 3.360 -5.635 6.406 1.00 0.00 N ATOM 942 CA PHE A 61 2.423 -4.840 5.624 1.00 0.00 C ATOM 943 C PHE A 61 1.801 -5.687 4.521 1.00 0.00 C ATOM 944 O PHE A 61 0.604 -5.591 4.255 1.00 0.00 O ATOM 945 CB PHE A 61 3.124 -3.617 5.024 1.00 0.00 C ATOM 946 CG PHE A 61 2.199 -2.687 4.285 1.00 0.00 C ATOM 947 CD1 PHE A 61 1.410 -1.779 4.976 1.00 0.00 C ATOM 948 CD2 PHE A 61 2.121 -2.719 2.901 1.00 0.00 C ATOM 949 CE1 PHE A 61 0.562 -0.922 4.301 1.00 0.00 C ATOM 950 CE2 PHE A 61 1.274 -1.865 2.221 1.00 0.00 C ATOM 951 CZ PHE A 61 0.494 -0.963 2.922 1.00 0.00 C ATOM 0 H PHE A 61 4.326 -5.312 6.358 1.00 0.00 H new ATOM 0 HA PHE A 61 1.630 -4.493 6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.617 -3.064 5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.904 -3.955 4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.459 -1.742 6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.729 -3.420 2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.047 -0.220 4.851 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.221 -1.902 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.167 -0.292 2.392 1.00 0.00 H new ATOM 961 N ALA A 62 2.621 -6.524 3.894 1.00 0.00 N ATOM 962 CA ALA A 62 2.146 -7.417 2.846 1.00 0.00 C ATOM 963 C ALA A 62 1.077 -8.359 3.388 1.00 0.00 C ATOM 964 O ALA A 62 0.004 -8.501 2.799 1.00 0.00 O ATOM 965 CB ALA A 62 3.306 -8.207 2.260 1.00 0.00 C ATOM 0 H ALA A 62 3.618 -6.602 4.094 1.00 0.00 H new ATOM 0 HA ALA A 62 1.701 -6.815 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.936 -8.870 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.038 -7.519 1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.777 -8.799 3.045 1.00 0.00 H new ATOM 971 N ARG A 63 1.371 -8.976 4.529 1.00 0.00 N ATOM 972 CA ARG A 63 0.431 -9.883 5.181 1.00 0.00 C ATOM 973 C ARG A 63 -0.890 -9.178 5.460 1.00 0.00 C ATOM 974 O ARG A 63 -1.963 -9.698 5.150 1.00 0.00 O ATOM 975 CB ARG A 63 1.012 -10.406 6.496 1.00 0.00 C ATOM 976 CG ARG A 63 2.304 -11.186 6.333 1.00 0.00 C ATOM 977 CD ARG A 63 2.861 -11.619 7.678 1.00 0.00 C ATOM 978 NE ARG A 63 4.122 -12.344 7.543 1.00 0.00 N ATOM 979 CZ ARG A 63 4.316 -13.583 7.992 1.00 0.00 C ATOM 980 NH1 ARG A 63 3.334 -14.234 8.599 1.00 0.00 N ATOM 981 NH2 ARG A 63 5.492 -14.171 7.840 1.00 0.00 N ATOM 0 H ARG A 63 2.256 -8.864 5.023 1.00 0.00 H new ATOM 0 HA ARG A 63 0.254 -10.722 4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.190 -9.563 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.273 -11.044 6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.126 -12.063 5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.039 -10.571 5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.013 -10.741 8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.132 -12.251 8.185 1.00 0.00 H new ATOM 0 HE ARG A 63 4.899 -11.874 7.078 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.426 -13.786 8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.486 -15.183 8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.254 -13.675 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.636 -15.120 8.185 1.00 0.00 H new ATOM 995 N ALA A 64 -0.798 -7.984 6.034 1.00 0.00 N ATOM 996 CA ALA A 64 -1.979 -7.202 6.370 1.00 0.00 C ATOM 997 C ALA A 64 -2.744 -6.787 5.117 1.00 0.00 C ATOM 998 O ALA A 64 -3.973 -6.730 5.124 1.00 0.00 O ATOM 999 CB ALA A 64 -1.584 -5.977 7.180 1.00 0.00 C ATOM 0 H ALA A 64 0.086 -7.536 6.277 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.638 -7.828 6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.476 -5.400 7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.091 -6.292 8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.901 -5.359 6.596 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.012 -6.512 4.045 1.00 0.00 N ATOM 1006 CA LEU A 65 -2.613 -6.083 2.788 1.00 0.00 C ATOM 1007 C LEU A 65 -3.499 -7.182 2.203 1.00 0.00 C ATOM 1008 O LEU A 65 -4.684 -6.961 1.956 1.00 0.00 O ATOM 1009 CB LEU A 65 -1.526 -5.692 1.782 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.038 -5.146 0.448 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -2.817 -3.856 0.656 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -0.882 -4.920 -0.509 1.00 0.00 C ATOM 0 H LEU A 65 -0.994 -6.579 4.021 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.236 -5.212 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.882 -4.941 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.905 -6.566 1.584 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.712 -5.884 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.171 -3.486 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.670 -4.047 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.169 -3.110 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.262 -4.531 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.186 -4.202 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.366 -5.864 -0.686 1.00 0.00 H new ATOM 1024 N GLN A 66 -2.931 -8.369 2.003 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.689 -9.482 1.434 1.00 0.00 C ATOM 1026 C GLN A 66 -4.864 -9.861 2.329 1.00 0.00 C ATOM 1027 O GLN A 66 -5.937 -10.206 1.839 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.805 -10.715 1.199 1.00 0.00 C ATOM 1029 CG GLN A 66 -1.966 -10.653 -0.071 1.00 0.00 C ATOM 1030 CD GLN A 66 -0.718 -9.806 0.072 1.00 0.00 C ATOM 1031 OE1 GLN A 66 -0.827 -8.526 -0.241 1.00 0.00 O flip ATOM 1032 NE2 GLN A 66 0.339 -10.304 0.453 1.00 0.00 N flip ATOM 0 H GLN A 66 -1.959 -8.584 2.224 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.068 -9.142 0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.140 -10.839 2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.440 -11.600 1.158 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.678 -11.665 -0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.576 -10.254 -0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.381 -11.296 0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.174 -9.725 0.537 1.00 0.00 H new ATOM 1041 N SER A 67 -4.662 -9.775 3.639 1.00 0.00 N ATOM 1042 CA SER A 67 -5.703 -10.125 4.599 1.00 0.00 C ATOM 1043 C SER A 67 -6.814 -9.072 4.626 1.00 0.00 C ATOM 1044 O SER A 67 -7.951 -9.363 4.995 1.00 0.00 O ATOM 1045 CB SER A 67 -5.091 -10.285 5.991 1.00 0.00 C ATOM 1046 OG SER A 67 -4.020 -11.217 5.968 1.00 0.00 O ATOM 0 H SER A 67 -3.786 -9.466 4.061 1.00 0.00 H new ATOM 0 HA SER A 67 -6.149 -11.070 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.731 -9.320 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.855 -10.620 6.693 1.00 0.00 H new ATOM 0 HG SER A 67 -3.229 -10.796 5.571 1.00 0.00 H new ATOM 1052 N SER A 68 -6.483 -7.849 4.234 1.00 0.00 N ATOM 1053 CA SER A 68 -7.461 -6.775 4.201 1.00 0.00 C ATOM 1054 C SER A 68 -8.268 -6.852 2.907 1.00 0.00 C ATOM 1055 O SER A 68 -9.469 -6.586 2.894 1.00 0.00 O ATOM 1056 CB SER A 68 -6.758 -5.418 4.320 1.00 0.00 C ATOM 1057 OG SER A 68 -7.668 -4.375 4.642 1.00 0.00 O ATOM 0 H SER A 68 -5.546 -7.578 3.935 1.00 0.00 H new ATOM 0 HA SER A 68 -8.142 -6.883 5.045 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.986 -5.475 5.087 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.257 -5.185 3.380 1.00 0.00 H new ATOM 0 HG SER A 68 -7.182 -3.527 4.711 1.00 0.00 H new ATOM 1063 N ILE A 69 -7.596 -7.226 1.823 1.00 0.00 N ATOM 1064 CA ILE A 69 -8.246 -7.368 0.527 1.00 0.00 C ATOM 1065 C ILE A 69 -9.095 -8.635 0.482 1.00 0.00 C ATOM 1066 O ILE A 69 -10.241 -8.614 0.030 1.00 0.00 O ATOM 1067 CB ILE A 69 -7.205 -7.382 -0.616 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -6.483 -6.032 -0.677 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -7.865 -7.701 -1.950 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -5.416 -5.951 -1.745 1.00 0.00 C ATOM 0 H ILE A 69 -6.598 -7.437 1.818 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.899 -6.507 0.387 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.474 -8.165 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.218 -5.246 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.027 -5.831 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.111 -7.705 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.339 -8.681 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.619 -6.946 -2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.953 -4.965 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.658 -6.712 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.867 -6.118 -2.723 1.00 0.00 H new ATOM 1442 N SER B 8 4.482 9.826 -16.984 1.00 0.00 N ATOM 1443 CA SER B 8 5.519 10.809 -16.709 1.00 0.00 C ATOM 1444 C SER B 8 6.117 10.616 -15.315 1.00 0.00 C ATOM 1445 O SER B 8 5.397 10.446 -14.324 1.00 0.00 O ATOM 1446 CB SER B 8 4.962 12.227 -16.853 1.00 0.00 C ATOM 1447 OG SER B 8 5.917 13.197 -16.455 1.00 0.00 O ATOM 0 HA SER B 8 6.315 10.664 -17.439 1.00 0.00 H new ATOM 0 HB2 SER B 8 4.671 12.403 -17.889 1.00 0.00 H new ATOM 0 HB3 SER B 8 4.061 12.330 -16.248 1.00 0.00 H new ATOM 0 HG SER B 8 5.535 14.094 -16.559 1.00 0.00 H new ATOM 1453 N ASP B 9 7.443 10.647 -15.256 1.00 0.00 N ATOM 1454 CA ASP B 9 8.170 10.566 -13.995 1.00 0.00 C ATOM 1455 C ASP B 9 7.808 11.753 -13.112 1.00 0.00 C ATOM 1456 O ASP B 9 7.763 11.645 -11.886 1.00 0.00 O ATOM 1457 CB ASP B 9 9.679 10.542 -14.267 1.00 0.00 C ATOM 1458 CG ASP B 9 10.514 10.605 -13.004 1.00 0.00 C ATOM 1459 OD1 ASP B 9 10.708 9.556 -12.356 1.00 0.00 O ATOM 1460 OD2 ASP B 9 11.013 11.702 -12.673 1.00 0.00 O ATOM 0 H ASP B 9 8.042 10.729 -16.077 1.00 0.00 H new ATOM 0 HA ASP B 9 7.893 9.648 -13.477 1.00 0.00 H new ATOM 0 HB2 ASP B 9 9.929 9.633 -14.815 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.939 11.383 -14.909 1.00 0.00 H new ATOM 1465 N GLU B 10 7.508 12.875 -13.754 1.00 0.00 N ATOM 1466 CA GLU B 10 7.125 14.082 -13.041 1.00 0.00 C ATOM 1467 C GLU B 10 5.721 13.948 -12.466 1.00 0.00 C ATOM 1468 O GLU B 10 5.392 14.595 -11.477 1.00 0.00 O ATOM 1469 CB GLU B 10 7.213 15.303 -13.953 1.00 0.00 C ATOM 1470 CG GLU B 10 8.606 15.545 -14.504 1.00 0.00 C ATOM 1471 CD GLU B 10 8.718 16.857 -15.243 1.00 0.00 C ATOM 1472 OE1 GLU B 10 8.378 16.898 -16.444 1.00 0.00 O ATOM 1473 OE2 GLU B 10 9.153 17.853 -14.624 1.00 0.00 O ATOM 0 H GLU B 10 7.523 12.972 -14.769 1.00 0.00 H new ATOM 0 HA GLU B 10 7.823 14.220 -12.215 1.00 0.00 H new ATOM 0 HB2 GLU B 10 6.519 15.177 -14.784 1.00 0.00 H new ATOM 0 HB3 GLU B 10 6.891 16.185 -13.399 1.00 0.00 H new ATOM 0 HG2 GLU B 10 9.324 15.531 -13.684 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.874 14.730 -15.176 1.00 0.00 H new ATOM 1480 N GLN B 11 4.896 13.107 -13.085 1.00 0.00 N ATOM 1481 CA GLN B 11 3.577 12.806 -12.540 1.00 0.00 C ATOM 1482 C GLN B 11 3.726 12.075 -11.215 1.00 0.00 C ATOM 1483 O GLN B 11 3.091 12.434 -10.223 1.00 0.00 O ATOM 1484 CB GLN B 11 2.750 11.959 -13.513 1.00 0.00 C ATOM 1485 CG GLN B 11 2.276 12.713 -14.746 1.00 0.00 C ATOM 1486 CD GLN B 11 1.227 13.771 -14.439 1.00 0.00 C ATOM 1487 OE1 GLN B 11 1.211 14.368 -13.359 1.00 0.00 O ATOM 1488 NE2 GLN B 11 0.332 14.003 -15.384 1.00 0.00 N ATOM 0 H GLN B 11 5.116 12.626 -13.957 1.00 0.00 H new ATOM 0 HA GLN B 11 3.050 13.747 -12.384 1.00 0.00 H new ATOM 0 HB2 GLN B 11 3.347 11.104 -13.831 1.00 0.00 H new ATOM 0 HB3 GLN B 11 1.882 11.564 -12.986 1.00 0.00 H new ATOM 0 HG2 GLN B 11 3.132 13.189 -15.224 1.00 0.00 H new ATOM 0 HG3 GLN B 11 1.865 12.002 -15.463 1.00 0.00 H new ATOM 0 HE21 GLN B 11 0.376 13.491 -16.265 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -0.402 14.694 -15.232 1.00 0.00 H new ATOM 1497 N VAL B 12 4.588 11.061 -11.204 1.00 0.00 N ATOM 1498 CA VAL B 12 4.895 10.333 -9.975 1.00 0.00 C ATOM 1499 C VAL B 12 5.466 11.292 -8.934 1.00 0.00 C ATOM 1500 O VAL B 12 5.017 11.325 -7.788 1.00 0.00 O ATOM 1501 CB VAL B 12 5.908 9.196 -10.231 1.00 0.00 C ATOM 1502 CG1 VAL B 12 6.154 8.395 -8.960 1.00 0.00 C ATOM 1503 CG2 VAL B 12 5.428 8.287 -11.354 1.00 0.00 C ATOM 0 H VAL B 12 5.085 10.725 -12.029 1.00 0.00 H new ATOM 0 HA VAL B 12 3.968 9.892 -9.608 1.00 0.00 H new ATOM 0 HB VAL B 12 6.852 9.647 -10.538 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.871 7.600 -9.164 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.552 9.052 -8.187 1.00 0.00 H new ATOM 0 HG13 VAL B 12 5.216 7.959 -8.618 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.157 7.494 -11.517 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.468 7.848 -11.081 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.314 8.868 -12.269 1.00 0.00 H new ATOM 1513 N GLU B 13 6.448 12.080 -9.362 1.00 0.00 N ATOM 1514 CA GLU B 13 7.077 13.094 -8.520 1.00 0.00 C ATOM 1515 C GLU B 13 6.040 14.032 -7.901 1.00 0.00 C ATOM 1516 O GLU B 13 6.012 14.226 -6.683 1.00 0.00 O ATOM 1517 CB GLU B 13 8.082 13.888 -9.368 1.00 0.00 C ATOM 1518 CG GLU B 13 8.580 15.182 -8.737 1.00 0.00 C ATOM 1519 CD GLU B 13 9.284 14.975 -7.413 1.00 0.00 C ATOM 1520 OE1 GLU B 13 9.827 13.878 -7.182 1.00 0.00 O ATOM 1521 OE2 GLU B 13 9.308 15.925 -6.601 1.00 0.00 O ATOM 0 H GLU B 13 6.832 12.033 -10.306 1.00 0.00 H new ATOM 0 HA GLU B 13 7.593 12.599 -7.698 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.941 13.250 -9.578 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.619 14.124 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.262 15.676 -9.429 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.735 15.854 -8.589 1.00 0.00 H new ATOM 1528 N GLN B 14 5.190 14.595 -8.747 1.00 0.00 N ATOM 1529 CA GLN B 14 4.198 15.570 -8.316 1.00 0.00 C ATOM 1530 C GLN B 14 3.207 14.939 -7.339 1.00 0.00 C ATOM 1531 O GLN B 14 2.897 15.518 -6.297 1.00 0.00 O ATOM 1532 CB GLN B 14 3.467 16.134 -9.541 1.00 0.00 C ATOM 1533 CG GLN B 14 3.028 17.584 -9.391 1.00 0.00 C ATOM 1534 CD GLN B 14 1.875 17.770 -8.428 1.00 0.00 C ATOM 1535 OE1 GLN B 14 1.785 18.789 -7.745 1.00 0.00 O ATOM 1536 NE2 GLN B 14 0.969 16.807 -8.387 1.00 0.00 N ATOM 0 H GLN B 14 5.168 14.391 -9.746 1.00 0.00 H new ATOM 0 HA GLN B 14 4.704 16.384 -7.797 1.00 0.00 H new ATOM 0 HB2 GLN B 14 4.120 16.052 -10.410 1.00 0.00 H new ATOM 0 HB3 GLN B 14 2.590 15.519 -9.742 1.00 0.00 H new ATOM 0 HG2 GLN B 14 3.876 18.178 -9.050 1.00 0.00 H new ATOM 0 HG3 GLN B 14 2.740 17.971 -10.369 1.00 0.00 H new ATOM 0 HE21 GLN B 14 1.080 15.977 -8.969 1.00 0.00 H new ATOM 0 HE22 GLN B 14 0.159 16.894 -7.773 1.00 0.00 H new ATOM 1545 N LEU B 15 2.721 13.748 -7.676 1.00 0.00 N ATOM 1546 CA LEU B 15 1.752 13.053 -6.835 1.00 0.00 C ATOM 1547 C LEU B 15 2.351 12.720 -5.475 1.00 0.00 C ATOM 1548 O LEU B 15 1.706 12.921 -4.445 1.00 0.00 O ATOM 1549 CB LEU B 15 1.248 11.782 -7.523 1.00 0.00 C ATOM 1550 CG LEU B 15 0.407 12.017 -8.781 1.00 0.00 C ATOM 1551 CD1 LEU B 15 0.001 10.693 -9.409 1.00 0.00 C ATOM 1552 CD2 LEU B 15 -0.824 12.847 -8.451 1.00 0.00 C ATOM 0 H LEU B 15 2.982 13.245 -8.524 1.00 0.00 H new ATOM 0 HA LEU B 15 0.904 13.720 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.107 11.166 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.654 11.211 -6.809 1.00 0.00 H new ATOM 0 HG LEU B 15 1.013 12.567 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.596 10.881 -10.301 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.894 10.131 -9.682 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.587 10.116 -8.695 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.410 13.004 -9.356 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.430 12.321 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.515 13.811 -8.047 1.00 0.00 H new ATOM 1564 N LEU B 16 3.588 12.228 -5.471 1.00 0.00 N ATOM 1565 CA LEU B 16 4.290 11.936 -4.224 1.00 0.00 C ATOM 1566 C LEU B 16 4.375 13.181 -3.352 1.00 0.00 C ATOM 1567 O LEU B 16 4.132 13.125 -2.147 1.00 0.00 O ATOM 1568 CB LEU B 16 5.702 11.404 -4.497 1.00 0.00 C ATOM 1569 CG LEU B 16 5.873 9.884 -4.391 1.00 0.00 C ATOM 1570 CD1 LEU B 16 5.048 9.169 -5.444 1.00 0.00 C ATOM 1571 CD2 LEU B 16 7.342 9.506 -4.514 1.00 0.00 C ATOM 0 H LEU B 16 4.123 12.024 -6.315 1.00 0.00 H new ATOM 0 HA LEU B 16 3.722 11.168 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU B 16 6.000 11.716 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU B 16 6.390 11.878 -3.797 1.00 0.00 H new ATOM 0 HG LEU B 16 5.513 9.569 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.188 8.092 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU B 16 3.994 9.412 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU B 16 5.368 9.488 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU B 16 7.447 8.424 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU B 16 7.724 9.840 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU B 16 7.909 9.983 -3.715 1.00 0.00 H new ATOM 1583 N ALA B 17 4.703 14.307 -3.977 1.00 0.00 N ATOM 1584 CA ALA B 17 4.843 15.566 -3.262 1.00 0.00 C ATOM 1585 C ALA B 17 3.539 15.965 -2.577 1.00 0.00 C ATOM 1586 O ALA B 17 3.534 16.308 -1.396 1.00 0.00 O ATOM 1587 CB ALA B 17 5.300 16.663 -4.210 1.00 0.00 C ATOM 0 H ALA B 17 4.877 14.371 -4.980 1.00 0.00 H new ATOM 0 HA ALA B 17 5.598 15.429 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.401 17.599 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.262 16.391 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.565 16.786 -5.006 1.00 0.00 H new ATOM 1593 N GLU B 18 2.433 15.901 -3.313 1.00 0.00 N ATOM 1594 CA GLU B 18 1.140 16.299 -2.767 1.00 0.00 C ATOM 1595 C GLU B 18 0.639 15.307 -1.723 1.00 0.00 C ATOM 1596 O GLU B 18 0.050 15.706 -0.721 1.00 0.00 O ATOM 1597 CB GLU B 18 0.100 16.464 -3.874 1.00 0.00 C ATOM 1598 CG GLU B 18 0.376 17.639 -4.797 1.00 0.00 C ATOM 1599 CD GLU B 18 -0.791 17.949 -5.709 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -1.012 17.194 -6.675 1.00 0.00 O ATOM 1601 OE2 GLU B 18 -1.493 18.953 -5.468 1.00 0.00 O ATOM 0 H GLU B 18 2.406 15.580 -4.281 1.00 0.00 H new ATOM 0 HA GLU B 18 1.285 17.262 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.063 15.549 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.883 16.591 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.608 18.520 -4.198 1.00 0.00 H new ATOM 0 HG3 GLU B 18 1.257 17.423 -5.401 1.00 0.00 H new ATOM 1608 N LEU B 19 0.877 14.020 -1.944 1.00 0.00 N ATOM 1609 CA LEU B 19 0.463 13.003 -0.981 1.00 0.00 C ATOM 1610 C LEU B 19 1.211 13.176 0.337 1.00 0.00 C ATOM 1611 O LEU B 19 0.622 13.070 1.415 1.00 0.00 O ATOM 1612 CB LEU B 19 0.682 11.595 -1.540 1.00 0.00 C ATOM 1613 CG LEU B 19 -0.220 11.220 -2.720 1.00 0.00 C ATOM 1614 CD1 LEU B 19 0.097 9.818 -3.213 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -1.688 11.325 -2.327 1.00 0.00 C ATOM 0 H LEU B 19 1.349 13.657 -2.772 1.00 0.00 H new ATOM 0 HA LEU B 19 -0.603 13.131 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.722 11.502 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.525 10.873 -0.738 1.00 0.00 H new ATOM 0 HG LEU B 19 -0.028 11.922 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.555 9.571 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.137 9.772 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.064 9.103 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.313 11.055 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -1.892 10.648 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -1.911 12.348 -2.023 1.00 0.00 H new ATOM 1627 N LEU B 20 2.504 13.461 0.247 1.00 0.00 N ATOM 1628 CA LEU B 20 3.304 13.738 1.433 1.00 0.00 C ATOM 1629 C LEU B 20 2.885 15.066 2.056 1.00 0.00 C ATOM 1630 O LEU B 20 2.939 15.234 3.272 1.00 0.00 O ATOM 1631 CB LEU B 20 4.795 13.764 1.087 1.00 0.00 C ATOM 1632 CG LEU B 20 5.373 12.436 0.589 1.00 0.00 C ATOM 1633 CD1 LEU B 20 6.842 12.596 0.231 1.00 0.00 C ATOM 1634 CD2 LEU B 20 5.198 11.349 1.639 1.00 0.00 C ATOM 0 H LEU B 20 3.020 13.506 -0.632 1.00 0.00 H new ATOM 0 HA LEU B 20 3.132 12.940 2.155 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.961 14.523 0.323 1.00 0.00 H new ATOM 0 HB3 LEU B 20 5.351 14.075 1.971 1.00 0.00 H new ATOM 0 HG LEU B 20 4.828 12.140 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU B 20 7.237 11.643 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU B 20 6.946 13.344 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU B 20 7.398 12.916 1.112 1.00 0.00 H new ATOM 0 HD21 LEU B 20 5.615 10.413 1.267 1.00 0.00 H new ATOM 0 HD22 LEU B 20 5.716 11.639 2.553 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.137 11.215 1.851 1.00 0.00 H new ATOM 1646 N ASN B 21 2.458 16.001 1.212 1.00 0.00 N ATOM 1647 CA ASN B 21 1.962 17.294 1.680 1.00 0.00 C ATOM 1648 C ASN B 21 0.727 17.101 2.550 1.00 0.00 C ATOM 1649 O ASN B 21 0.620 17.684 3.627 1.00 0.00 O ATOM 1650 CB ASN B 21 1.614 18.203 0.502 1.00 0.00 C ATOM 1651 CG ASN B 21 1.159 19.583 0.944 1.00 0.00 C ATOM 1652 OD1 ASN B 21 1.668 20.139 1.918 1.00 0.00 O ATOM 1653 ND2 ASN B 21 0.171 20.128 0.254 1.00 0.00 N ATOM 0 H ASN B 21 2.445 15.888 0.198 1.00 0.00 H new ATOM 0 HA ASN B 21 2.751 17.764 2.267 1.00 0.00 H new ATOM 0 HB2 ASN B 21 2.485 18.302 -0.146 1.00 0.00 H new ATOM 0 HB3 ASN B 21 0.827 17.738 -0.091 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -0.196 21.041 0.523 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -0.224 19.635 -0.547 1.00 0.00 H new ATOM 1660 N VAL B 22 -0.203 16.274 2.074 1.00 0.00 N ATOM 1661 CA VAL B 22 -1.405 15.952 2.835 1.00 0.00 C ATOM 1662 C VAL B 22 -1.031 15.404 4.205 1.00 0.00 C ATOM 1663 O VAL B 22 -1.628 15.770 5.222 1.00 0.00 O ATOM 1664 CB VAL B 22 -2.294 14.923 2.105 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -3.527 14.605 2.933 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.696 15.434 0.733 1.00 0.00 C ATOM 0 H VAL B 22 -0.145 15.816 1.165 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.972 16.877 2.944 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.717 14.008 1.973 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.143 13.878 2.404 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.223 14.191 3.895 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -4.101 15.517 3.096 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.322 14.692 0.237 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -3.253 16.365 0.840 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.802 15.612 0.135 1.00 0.00 H new ATOM 1676 N LEU B 23 -0.026 14.539 4.225 1.00 0.00 N ATOM 1677 CA LEU B 23 0.478 13.993 5.469 1.00 0.00 C ATOM 1678 C LEU B 23 1.033 15.103 6.347 1.00 0.00 C ATOM 1679 O LEU B 23 0.687 15.198 7.516 1.00 0.00 O ATOM 1680 CB LEU B 23 1.557 12.940 5.209 1.00 0.00 C ATOM 1681 CG LEU B 23 1.101 11.715 4.413 1.00 0.00 C ATOM 1682 CD1 LEU B 23 2.237 10.715 4.282 1.00 0.00 C ATOM 1683 CD2 LEU B 23 -0.108 11.063 5.070 1.00 0.00 C ATOM 0 H LEU B 23 0.454 14.202 3.390 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.352 13.512 5.987 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.381 13.413 4.675 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.950 12.603 6.168 1.00 0.00 H new ATOM 0 HG LEU B 23 0.811 12.045 3.415 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.896 9.850 3.713 1.00 0.00 H new ATOM 0 HD12 LEU B 23 3.075 11.182 3.765 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.556 10.395 5.274 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.415 10.195 4.487 1.00 0.00 H new ATOM 0 HD22 LEU B 23 0.153 10.748 6.080 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -0.929 11.779 5.113 1.00 0.00 H new ATOM 1695 N GLU B 24 1.861 15.964 5.765 1.00 0.00 N ATOM 1696 CA GLU B 24 2.500 17.051 6.504 1.00 0.00 C ATOM 1697 C GLU B 24 1.490 18.050 7.066 1.00 0.00 C ATOM 1698 O GLU B 24 1.768 18.722 8.057 1.00 0.00 O ATOM 1699 CB GLU B 24 3.510 17.783 5.619 1.00 0.00 C ATOM 1700 CG GLU B 24 4.803 17.017 5.407 1.00 0.00 C ATOM 1701 CD GLU B 24 5.509 16.711 6.713 1.00 0.00 C ATOM 1702 OE1 GLU B 24 5.757 17.653 7.494 1.00 0.00 O ATOM 1703 OE2 GLU B 24 5.822 15.528 6.961 1.00 0.00 O ATOM 0 H GLU B 24 2.108 15.931 4.776 1.00 0.00 H new ATOM 0 HA GLU B 24 3.016 16.593 7.348 1.00 0.00 H new ATOM 0 HB2 GLU B 24 3.053 17.982 4.650 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.740 18.749 6.068 1.00 0.00 H new ATOM 0 HG2 GLU B 24 4.589 16.085 4.885 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.466 17.597 4.765 1.00 0.00 H new ATOM 1710 N LYS B 25 0.320 18.149 6.441 1.00 0.00 N ATOM 1711 CA LYS B 25 -0.720 19.061 6.920 1.00 0.00 C ATOM 1712 C LYS B 25 -1.431 18.489 8.143 1.00 0.00 C ATOM 1713 O LYS B 25 -2.325 19.117 8.705 1.00 0.00 O ATOM 1714 CB LYS B 25 -1.743 19.362 5.820 1.00 0.00 C ATOM 1715 CG LYS B 25 -1.153 20.073 4.611 1.00 0.00 C ATOM 1716 CD LYS B 25 -2.225 20.578 3.646 1.00 0.00 C ATOM 1717 CE LYS B 25 -3.127 19.459 3.134 1.00 0.00 C ATOM 1718 NZ LYS B 25 -4.322 19.251 4.000 1.00 0.00 N ATOM 0 H LYS B 25 0.067 17.615 5.609 1.00 0.00 H new ATOM 0 HA LYS B 25 -0.228 19.992 7.203 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -2.198 18.427 5.494 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -2.541 19.976 6.237 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -0.548 20.914 4.948 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -0.486 19.392 4.083 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -2.834 21.330 4.147 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -1.745 21.069 2.799 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.453 19.694 2.121 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.556 18.532 3.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -5.098 18.855 3.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -4.084 18.592 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -4.620 20.161 4.405 1.00 0.00 H new ATOM 1732 N HIS B 26 -1.040 17.285 8.538 1.00 0.00 N ATOM 1733 CA HIS B 26 -1.581 16.660 9.739 1.00 0.00 C ATOM 1734 C HIS B 26 -0.455 16.243 10.674 1.00 0.00 C ATOM 1735 O HIS B 26 -0.597 16.311 11.892 1.00 0.00 O ATOM 1736 CB HIS B 26 -2.436 15.436 9.391 1.00 0.00 C ATOM 1737 CG HIS B 26 -3.729 15.761 8.703 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -4.951 15.735 9.341 1.00 0.00 N ATOM 1739 CD2 HIS B 26 -3.989 16.094 7.417 1.00 0.00 C ATOM 1740 CE1 HIS B 26 -5.903 16.034 8.478 1.00 0.00 C ATOM 1741 NE2 HIS B 26 -5.345 16.256 7.303 1.00 0.00 N ATOM 0 H HIS B 26 -0.349 16.720 8.044 1.00 0.00 H new ATOM 0 HA HIS B 26 -2.213 17.395 10.237 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -1.855 14.771 8.752 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.654 14.887 10.307 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.262 16.210 6.627 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.959 16.088 8.696 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.842 16.507 6.449 1.00 0.00 H new ATOM 1750 N LYS B 27 0.662 15.814 10.086 1.00 0.00 N ATOM 1751 CA LYS B 27 1.806 15.305 10.833 1.00 0.00 C ATOM 1752 C LYS B 27 1.368 14.158 11.728 1.00 0.00 C ATOM 1753 O LYS B 27 1.651 14.124 12.926 1.00 0.00 O ATOM 1754 CB LYS B 27 2.479 16.423 11.629 1.00 0.00 C ATOM 1755 CG LYS B 27 3.109 17.479 10.734 1.00 0.00 C ATOM 1756 CD LYS B 27 3.795 18.568 11.534 1.00 0.00 C ATOM 1757 CE LYS B 27 4.404 19.624 10.624 1.00 0.00 C ATOM 1758 NZ LYS B 27 5.513 19.083 9.790 1.00 0.00 N ATOM 0 H LYS B 27 0.796 15.811 9.075 1.00 0.00 H new ATOM 0 HA LYS B 27 2.548 14.923 10.132 1.00 0.00 H new ATOM 0 HB2 LYS B 27 1.743 16.895 12.279 1.00 0.00 H new ATOM 0 HB3 LYS B 27 3.246 15.994 12.274 1.00 0.00 H new ATOM 0 HG2 LYS B 27 3.833 17.006 10.071 1.00 0.00 H new ATOM 0 HG3 LYS B 27 2.340 17.924 10.102 1.00 0.00 H new ATOM 0 HD2 LYS B 27 3.076 19.036 12.206 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.574 18.128 12.157 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.629 20.030 9.974 1.00 0.00 H new ATOM 0 HE3 LYS B 27 4.778 20.450 11.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 6.108 19.867 9.452 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 6.090 18.431 10.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 5.117 18.573 8.975 1.00 0.00 H new ATOM 1772 N ALA B 28 0.671 13.215 11.113 1.00 0.00 N ATOM 1773 CA ALA B 28 0.098 12.084 11.819 1.00 0.00 C ATOM 1774 C ALA B 28 1.160 11.032 12.119 1.00 0.00 C ATOM 1775 O ALA B 28 2.182 10.960 11.433 1.00 0.00 O ATOM 1776 CB ALA B 28 -1.032 11.480 10.996 1.00 0.00 C ATOM 0 H ALA B 28 0.488 13.214 10.110 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.302 12.436 12.770 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.458 10.631 11.531 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.805 12.231 10.832 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.643 11.145 10.035 1.00 0.00 H new ATOM 1782 N PRO B 29 0.938 10.210 13.157 1.00 0.00 N ATOM 1783 CA PRO B 29 1.851 9.120 13.514 1.00 0.00 C ATOM 1784 C PRO B 29 1.956 8.070 12.411 1.00 0.00 C ATOM 1785 O PRO B 29 1.048 7.927 11.582 1.00 0.00 O ATOM 1786 CB PRO B 29 1.215 8.510 14.768 1.00 0.00 C ATOM 1787 CG PRO B 29 -0.212 8.936 14.726 1.00 0.00 C ATOM 1788 CD PRO B 29 -0.211 10.288 14.075 1.00 0.00 C ATOM 0 HA PRO B 29 2.868 9.479 13.669 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.302 7.424 14.766 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.707 8.867 15.673 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.816 8.228 14.158 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -0.636 8.984 15.729 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -1.142 10.480 13.542 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -0.091 11.088 14.805 1.00 0.00 H new ATOM 1796 N THR B 30 3.063 7.339 12.408 1.00 0.00 N ATOM 1797 CA THR B 30 3.303 6.290 11.426 1.00 0.00 C ATOM 1798 C THR B 30 2.154 5.279 11.412 1.00 0.00 C ATOM 1799 O THR B 30 1.772 4.770 10.355 1.00 0.00 O ATOM 1800 CB THR B 30 4.625 5.571 11.739 1.00 0.00 C ATOM 1801 OG1 THR B 30 5.589 6.534 12.191 1.00 0.00 O ATOM 1802 CG2 THR B 30 5.160 4.847 10.510 1.00 0.00 C ATOM 0 H THR B 30 3.818 7.456 13.084 1.00 0.00 H new ATOM 0 HA THR B 30 3.366 6.753 10.441 1.00 0.00 H new ATOM 0 HB THR B 30 4.443 4.829 12.517 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.434 6.081 12.394 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.096 4.347 10.761 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.432 4.107 10.178 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.336 5.567 9.711 1.00 0.00 H new ATOM 1810 N ASP B 31 1.598 5.017 12.594 1.00 0.00 N ATOM 1811 CA ASP B 31 0.461 4.111 12.744 1.00 0.00 C ATOM 1812 C ASP B 31 -0.698 4.537 11.858 1.00 0.00 C ATOM 1813 O ASP B 31 -1.177 3.765 11.028 1.00 0.00 O ATOM 1814 CB ASP B 31 -0.012 4.087 14.199 1.00 0.00 C ATOM 1815 CG ASP B 31 1.028 3.532 15.145 1.00 0.00 C ATOM 1816 OD1 ASP B 31 2.002 4.251 15.447 1.00 0.00 O ATOM 1817 OD2 ASP B 31 0.870 2.378 15.594 1.00 0.00 O ATOM 0 H ASP B 31 1.922 5.425 13.471 1.00 0.00 H new ATOM 0 HA ASP B 31 0.791 3.116 12.446 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -0.274 5.099 14.508 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -0.919 3.487 14.271 1.00 0.00 H new ATOM 1822 N LEU B 32 -1.138 5.779 12.035 1.00 0.00 N ATOM 1823 CA LEU B 32 -2.272 6.304 11.287 1.00 0.00 C ATOM 1824 C LEU B 32 -1.939 6.393 9.803 1.00 0.00 C ATOM 1825 O LEU B 32 -2.787 6.141 8.951 1.00 0.00 O ATOM 1826 CB LEU B 32 -2.675 7.682 11.826 1.00 0.00 C ATOM 1827 CG LEU B 32 -3.933 8.290 11.196 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -5.148 7.416 11.468 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -4.160 9.696 11.723 1.00 0.00 C ATOM 0 H LEU B 32 -0.724 6.441 12.692 1.00 0.00 H new ATOM 0 HA LEU B 32 -3.113 5.621 11.412 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.830 7.602 12.902 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.844 8.370 11.674 1.00 0.00 H new ATOM 0 HG LEU B 32 -3.786 8.342 10.117 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -6.030 7.866 11.012 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -4.986 6.425 11.044 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -5.300 7.329 12.544 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -5.057 10.115 11.267 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -4.285 9.663 12.805 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.301 10.320 11.476 1.00 0.00 H new ATOM 1841 N SER B 33 -0.690 6.728 9.508 1.00 0.00 N ATOM 1842 CA SER B 33 -0.227 6.824 8.130 1.00 0.00 C ATOM 1843 C SER B 33 -0.388 5.484 7.408 1.00 0.00 C ATOM 1844 O SER B 33 -0.977 5.418 6.328 1.00 0.00 O ATOM 1845 CB SER B 33 1.236 7.269 8.103 1.00 0.00 C ATOM 1846 OG SER B 33 1.408 8.488 8.810 1.00 0.00 O ATOM 0 H SER B 33 0.023 6.938 10.207 1.00 0.00 H new ATOM 0 HA SER B 33 -0.835 7.565 7.610 1.00 0.00 H new ATOM 0 HB2 SER B 33 1.864 6.496 8.546 1.00 0.00 H new ATOM 0 HB3 SER B 33 1.563 7.393 7.071 1.00 0.00 H new ATOM 0 HG SER B 33 1.320 8.323 9.772 1.00 0.00 H new ATOM 1852 N LEU B 34 0.113 4.416 8.023 1.00 0.00 N ATOM 1853 CA LEU B 34 0.019 3.081 7.441 1.00 0.00 C ATOM 1854 C LEU B 34 -1.426 2.593 7.439 1.00 0.00 C ATOM 1855 O LEU B 34 -1.844 1.872 6.536 1.00 0.00 O ATOM 1856 CB LEU B 34 0.904 2.096 8.210 1.00 0.00 C ATOM 1857 CG LEU B 34 2.404 2.397 8.162 1.00 0.00 C ATOM 1858 CD1 LEU B 34 3.178 1.393 9.004 1.00 0.00 C ATOM 1859 CD2 LEU B 34 2.905 2.389 6.725 1.00 0.00 C ATOM 0 H LEU B 34 0.588 4.450 8.925 1.00 0.00 H new ATOM 0 HA LEU B 34 0.369 3.137 6.410 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.585 2.082 9.252 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.737 1.095 7.812 1.00 0.00 H new ATOM 0 HG LEU B 34 2.568 3.391 8.577 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.242 1.623 8.958 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.840 1.448 10.039 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.007 0.387 8.620 1.00 0.00 H new ATOM 0 HD21 LEU B 34 3.973 2.605 6.711 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.727 1.409 6.283 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.374 3.148 6.150 1.00 0.00 H new ATOM 1871 N MET B 35 -2.183 2.999 8.452 1.00 0.00 N ATOM 1872 CA MET B 35 -3.595 2.640 8.556 1.00 0.00 C ATOM 1873 C MET B 35 -4.373 3.165 7.351 1.00 0.00 C ATOM 1874 O MET B 35 -5.165 2.439 6.739 1.00 0.00 O ATOM 1875 CB MET B 35 -4.186 3.201 9.852 1.00 0.00 C ATOM 1876 CG MET B 35 -5.661 2.884 10.048 1.00 0.00 C ATOM 1877 SD MET B 35 -6.308 3.557 11.592 1.00 0.00 S ATOM 1878 CE MET B 35 -8.022 3.044 11.499 1.00 0.00 C ATOM 0 H MET B 35 -1.841 3.580 9.217 1.00 0.00 H new ATOM 0 HA MET B 35 -3.676 1.553 8.571 1.00 0.00 H new ATOM 0 HB2 MET B 35 -3.624 2.804 10.697 1.00 0.00 H new ATOM 0 HB3 MET B 35 -4.053 4.283 9.861 1.00 0.00 H new ATOM 0 HG2 MET B 35 -6.231 3.288 9.211 1.00 0.00 H new ATOM 0 HG3 MET B 35 -5.802 1.803 10.038 1.00 0.00 H new ATOM 0 HE1 MET B 35 -8.553 3.388 12.386 1.00 0.00 H new ATOM 0 HE2 MET B 35 -8.483 3.475 10.610 1.00 0.00 H new ATOM 0 HE3 MET B 35 -8.074 1.957 11.444 1.00 0.00 H new ATOM 1888 N VAL B 36 -4.139 4.425 7.013 1.00 0.00 N ATOM 1889 CA VAL B 36 -4.791 5.039 5.867 1.00 0.00 C ATOM 1890 C VAL B 36 -4.281 4.427 4.564 1.00 0.00 C ATOM 1891 O VAL B 36 -5.076 4.006 3.727 1.00 0.00 O ATOM 1892 CB VAL B 36 -4.583 6.570 5.841 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -5.203 7.182 4.594 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -5.172 7.207 7.090 1.00 0.00 C ATOM 0 H VAL B 36 -3.502 5.042 7.517 1.00 0.00 H new ATOM 0 HA VAL B 36 -5.859 4.843 5.963 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.511 6.766 5.820 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -5.043 8.260 4.600 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.738 6.751 3.707 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -6.273 6.974 4.580 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -5.017 8.285 7.056 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -6.240 6.995 7.137 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.681 6.798 7.973 1.00 0.00 H new ATOM 1904 N LEU B 37 -2.958 4.355 4.413 1.00 0.00 N ATOM 1905 CA LEU B 37 -2.348 3.797 3.203 1.00 0.00 C ATOM 1906 C LEU B 37 -2.826 2.368 2.947 1.00 0.00 C ATOM 1907 O LEU B 37 -3.151 2.007 1.815 1.00 0.00 O ATOM 1908 CB LEU B 37 -0.820 3.820 3.307 1.00 0.00 C ATOM 1909 CG LEU B 37 -0.185 5.212 3.313 1.00 0.00 C ATOM 1910 CD1 LEU B 37 1.319 5.105 3.494 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -0.512 5.951 2.025 1.00 0.00 C ATOM 0 H LEU B 37 -2.288 4.675 5.112 1.00 0.00 H new ATOM 0 HA LEU B 37 -2.658 4.420 2.364 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.527 3.301 4.220 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.407 3.254 2.472 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.597 5.777 4.149 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.757 6.103 3.496 1.00 0.00 H new ATOM 0 HD12 LEU B 37 1.537 4.611 4.441 1.00 0.00 H new ATOM 0 HD13 LEU B 37 1.744 4.524 2.675 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.053 6.939 2.046 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.125 5.389 1.175 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.593 6.055 1.930 1.00 0.00 H new ATOM 1923 N GLY B 38 -2.875 1.567 4.008 1.00 0.00 N ATOM 1924 CA GLY B 38 -3.316 0.190 3.890 1.00 0.00 C ATOM 1925 C GLY B 38 -4.724 0.079 3.338 1.00 0.00 C ATOM 1926 O GLY B 38 -4.968 -0.661 2.383 1.00 0.00 O ATOM 0 H GLY B 38 -2.615 1.851 4.953 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.630 -0.354 3.240 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -3.274 -0.287 4.869 1.00 0.00 H new ATOM 1930 N ASN B 39 -5.650 0.825 3.929 1.00 0.00 N ATOM 1931 CA ASN B 39 -7.037 0.812 3.474 1.00 0.00 C ATOM 1932 C ASN B 39 -7.165 1.479 2.113 1.00 0.00 C ATOM 1933 O ASN B 39 -8.003 1.092 1.305 1.00 0.00 O ATOM 1934 CB ASN B 39 -7.962 1.497 4.486 1.00 0.00 C ATOM 1935 CG ASN B 39 -8.279 0.608 5.674 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -9.244 -0.160 5.650 1.00 0.00 O ATOM 1937 ND2 ASN B 39 -7.480 0.711 6.726 1.00 0.00 N ATOM 0 H ASN B 39 -5.468 1.443 4.720 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.343 -0.230 3.384 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.494 2.416 4.838 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.890 1.782 3.991 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -7.653 0.143 7.555 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -6.692 1.358 6.706 1.00 0.00 H new ATOM 1944 N MET B 40 -6.323 2.476 1.866 1.00 0.00 N ATOM 1945 CA MET B 40 -6.316 3.188 0.591 1.00 0.00 C ATOM 1946 C MET B 40 -6.056 2.227 -0.562 1.00 0.00 C ATOM 1947 O MET B 40 -6.842 2.151 -1.504 1.00 0.00 O ATOM 1948 CB MET B 40 -5.254 4.291 0.606 1.00 0.00 C ATOM 1949 CG MET B 40 -5.191 5.107 -0.677 1.00 0.00 C ATOM 1950 SD MET B 40 -3.955 6.418 -0.600 1.00 0.00 S ATOM 1951 CE MET B 40 -4.193 7.205 -2.192 1.00 0.00 C ATOM 0 H MET B 40 -5.631 2.812 2.536 1.00 0.00 H new ATOM 0 HA MET B 40 -7.296 3.642 0.447 1.00 0.00 H new ATOM 0 HB2 MET B 40 -5.453 4.962 1.442 1.00 0.00 H new ATOM 0 HB3 MET B 40 -4.278 3.839 0.786 1.00 0.00 H new ATOM 0 HG2 MET B 40 -4.964 4.446 -1.514 1.00 0.00 H new ATOM 0 HG3 MET B 40 -6.169 5.545 -0.874 1.00 0.00 H new ATOM 0 HE1 MET B 40 -3.498 8.038 -2.294 1.00 0.00 H new ATOM 0 HE2 MET B 40 -4.011 6.481 -2.986 1.00 0.00 H new ATOM 0 HE3 MET B 40 -5.216 7.575 -2.266 1.00 0.00 H new ATOM 1961 N VAL B 41 -4.956 1.486 -0.471 1.00 0.00 N ATOM 1962 CA VAL B 41 -4.595 0.515 -1.499 1.00 0.00 C ATOM 1963 C VAL B 41 -5.660 -0.573 -1.608 1.00 0.00 C ATOM 1964 O VAL B 41 -6.107 -0.914 -2.704 1.00 0.00 O ATOM 1965 CB VAL B 41 -3.224 -0.139 -1.210 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -2.855 -1.135 -2.302 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -2.141 0.923 -1.071 1.00 0.00 C ATOM 0 H VAL B 41 -4.297 1.540 0.306 1.00 0.00 H new ATOM 0 HA VAL B 41 -4.528 1.056 -2.443 1.00 0.00 H new ATOM 0 HB VAL B 41 -3.301 -0.680 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -1.887 -1.581 -2.075 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.612 -1.917 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -2.802 -0.620 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -1.184 0.442 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -2.071 1.494 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -2.392 1.593 -0.249 1.00 0.00 H new ATOM 1977 N THR B 42 -6.076 -1.093 -0.459 1.00 0.00 N ATOM 1978 CA THR B 42 -7.076 -2.151 -0.403 1.00 0.00 C ATOM 1979 C THR B 42 -8.383 -1.723 -1.076 1.00 0.00 C ATOM 1980 O THR B 42 -8.892 -2.413 -1.965 1.00 0.00 O ATOM 1981 CB THR B 42 -7.358 -2.556 1.058 1.00 0.00 C ATOM 1982 OG1 THR B 42 -6.140 -2.977 1.686 1.00 0.00 O ATOM 1983 CG2 THR B 42 -8.385 -3.675 1.130 1.00 0.00 C ATOM 0 H THR B 42 -5.732 -0.795 0.454 1.00 0.00 H new ATOM 0 HA THR B 42 -6.673 -3.007 -0.944 1.00 0.00 H new ATOM 0 HB THR B 42 -7.762 -1.689 1.580 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.590 -2.192 1.892 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.563 -3.939 2.172 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.318 -3.342 0.675 1.00 0.00 H new ATOM 0 HG23 THR B 42 -8.011 -4.547 0.594 1.00 0.00 H new ATOM 1991 N ASN B 43 -8.911 -0.579 -0.659 1.00 0.00 N ATOM 1992 CA ASN B 43 -10.177 -0.080 -1.188 1.00 0.00 C ATOM 1993 C ASN B 43 -10.050 0.224 -2.674 1.00 0.00 C ATOM 1994 O ASN B 43 -10.929 -0.124 -3.461 1.00 0.00 O ATOM 1995 CB ASN B 43 -10.617 1.180 -0.431 1.00 0.00 C ATOM 1996 CG ASN B 43 -12.005 1.650 -0.825 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -12.168 2.442 -1.754 1.00 0.00 O ATOM 1998 ND2 ASN B 43 -13.014 1.173 -0.110 1.00 0.00 N ATOM 0 H ASN B 43 -8.483 0.022 0.045 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.933 -0.853 -1.051 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -10.597 0.980 0.640 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -9.901 1.980 -0.619 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -13.970 1.460 -0.321 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -12.835 0.518 0.652 1.00 0.00 H new ATOM 2005 N LEU B 44 -8.934 0.850 -3.048 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.675 1.219 -4.437 1.00 0.00 C ATOM 2007 C LEU B 44 -8.804 0.013 -5.360 1.00 0.00 C ATOM 2008 O LEU B 44 -9.549 0.051 -6.337 1.00 0.00 O ATOM 2009 CB LEU B 44 -7.277 1.829 -4.576 1.00 0.00 C ATOM 2010 CG LEU B 44 -6.896 2.278 -5.989 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -7.791 3.418 -6.452 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -5.432 2.689 -6.033 1.00 0.00 C ATOM 0 H LEU B 44 -8.190 1.113 -2.401 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.421 1.959 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.205 2.687 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.544 1.098 -4.235 1.00 0.00 H new ATOM 0 HG LEU B 44 -7.041 1.439 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.503 3.721 -7.458 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.829 3.087 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.683 4.264 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.173 3.006 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.265 3.513 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.808 1.842 -5.748 1.00 0.00 H new ATOM 2024 N ILE B 45 -8.090 -1.059 -5.037 1.00 0.00 N ATOM 2025 CA ILE B 45 -8.096 -2.261 -5.864 1.00 0.00 C ATOM 2026 C ILE B 45 -9.499 -2.858 -5.958 1.00 0.00 C ATOM 2027 O ILE B 45 -9.968 -3.194 -7.046 1.00 0.00 O ATOM 2028 CB ILE B 45 -7.117 -3.327 -5.320 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -5.692 -2.765 -5.283 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -7.172 -4.589 -6.175 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -4.675 -3.722 -4.701 1.00 0.00 C ATOM 0 H ILE B 45 -7.499 -1.121 -4.208 1.00 0.00 H new ATOM 0 HA ILE B 45 -7.769 -1.963 -6.860 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.415 -3.589 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.389 -2.499 -6.296 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.689 -1.845 -4.698 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -6.477 -5.328 -5.778 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -8.183 -4.996 -6.158 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -6.896 -4.346 -7.201 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.690 -3.255 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -4.953 -3.969 -3.676 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -4.649 -4.633 -5.299 1.00 0.00 H new ATOM 2043 N ASN B 46 -10.180 -2.942 -4.821 1.00 0.00 N ATOM 2044 CA ASN B 46 -11.497 -3.574 -4.757 1.00 0.00 C ATOM 2045 C ASN B 46 -12.563 -2.764 -5.492 1.00 0.00 C ATOM 2046 O ASN B 46 -13.577 -3.315 -5.918 1.00 0.00 O ATOM 2047 CB ASN B 46 -11.934 -3.788 -3.302 1.00 0.00 C ATOM 2048 CG ASN B 46 -11.295 -5.008 -2.664 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -11.823 -6.116 -2.752 1.00 0.00 O ATOM 2050 ND2 ASN B 46 -10.163 -4.818 -2.007 1.00 0.00 N ATOM 0 H ASN B 46 -9.843 -2.581 -3.929 1.00 0.00 H new ATOM 0 HA ASN B 46 -11.401 -4.540 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.679 -2.904 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.018 -3.892 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -9.699 -5.604 -1.552 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -9.754 -3.885 -1.955 1.00 0.00 H new ATOM 2057 N THR B 47 -12.344 -1.465 -5.643 1.00 0.00 N ATOM 2058 CA THR B 47 -13.351 -0.605 -6.249 1.00 0.00 C ATOM 2059 C THR B 47 -12.985 -0.219 -7.685 1.00 0.00 C ATOM 2060 O THR B 47 -13.690 0.568 -8.315 1.00 0.00 O ATOM 2061 CB THR B 47 -13.582 0.676 -5.406 1.00 0.00 C ATOM 2062 OG1 THR B 47 -14.788 1.335 -5.822 1.00 0.00 O ATOM 2063 CG2 THR B 47 -12.412 1.644 -5.530 1.00 0.00 C ATOM 0 H THR B 47 -11.489 -0.988 -5.358 1.00 0.00 H new ATOM 0 HA THR B 47 -14.276 -1.182 -6.275 1.00 0.00 H new ATOM 0 HB THR B 47 -13.670 0.370 -4.363 1.00 0.00 H new ATOM 0 HG1 THR B 47 -14.827 1.358 -6.801 1.00 0.00 H new ATOM 0 HG21 THR B 47 -12.608 2.530 -4.927 1.00 0.00 H new ATOM 0 HG22 THR B 47 -11.501 1.160 -5.179 1.00 0.00 H new ATOM 0 HG23 THR B 47 -12.290 1.935 -6.573 1.00 0.00 H new ATOM 2071 N SER B 48 -11.905 -0.777 -8.213 1.00 0.00 N ATOM 2072 CA SER B 48 -11.469 -0.419 -9.558 1.00 0.00 C ATOM 2073 C SER B 48 -11.482 -1.624 -10.494 1.00 0.00 C ATOM 2074 O SER B 48 -12.045 -1.564 -11.590 1.00 0.00 O ATOM 2075 CB SER B 48 -10.076 0.217 -9.521 1.00 0.00 C ATOM 2076 OG SER B 48 -9.147 -0.606 -8.833 1.00 0.00 O ATOM 0 H SER B 48 -11.322 -1.468 -7.741 1.00 0.00 H new ATOM 0 HA SER B 48 -12.178 0.311 -9.950 1.00 0.00 H new ATOM 0 HB2 SER B 48 -9.727 0.390 -10.539 1.00 0.00 H new ATOM 0 HB3 SER B 48 -10.132 1.190 -9.034 1.00 0.00 H new ATOM 0 HG SER B 48 -9.349 -0.596 -7.874 1.00 0.00 H new ATOM 2082 N ILE B 49 -10.870 -2.716 -10.065 1.00 0.00 N ATOM 2083 CA ILE B 49 -10.740 -3.886 -10.911 1.00 0.00 C ATOM 2084 C ILE B 49 -11.597 -5.038 -10.384 1.00 0.00 C ATOM 2085 O ILE B 49 -12.043 -5.012 -9.236 1.00 0.00 O ATOM 2086 CB ILE B 49 -9.257 -4.316 -11.010 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -9.055 -5.294 -12.165 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -8.781 -4.928 -9.697 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -7.600 -5.587 -12.464 1.00 0.00 C ATOM 0 H ILE B 49 -10.457 -2.814 -9.138 1.00 0.00 H new ATOM 0 HA ILE B 49 -11.096 -3.627 -11.908 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.658 -3.426 -11.206 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -9.565 -6.229 -11.932 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -9.527 -4.889 -13.060 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -7.736 -5.223 -9.791 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.881 -4.195 -8.897 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -9.386 -5.805 -9.464 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -7.534 -6.289 -13.295 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -7.089 -4.661 -12.729 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -7.128 -6.022 -11.583 1.00 0.00 H new ATOM 2101 N ALA B 50 -11.838 -6.028 -11.239 1.00 0.00 N ATOM 2102 CA ALA B 50 -12.623 -7.202 -10.879 1.00 0.00 C ATOM 2103 C ALA B 50 -12.094 -7.865 -9.610 1.00 0.00 C ATOM 2104 O ALA B 50 -10.880 -8.029 -9.441 1.00 0.00 O ATOM 2105 CB ALA B 50 -12.625 -8.197 -12.030 1.00 0.00 C ATOM 0 H ALA B 50 -11.495 -6.038 -12.199 1.00 0.00 H new ATOM 0 HA ALA B 50 -13.644 -6.875 -10.680 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -13.214 -9.072 -11.754 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -13.061 -7.731 -12.913 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -11.602 -8.502 -12.249 1.00 0.00 H new ATOM 2111 N PRO B 51 -13.006 -8.279 -8.711 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.655 -8.897 -7.421 1.00 0.00 C ATOM 2113 C PRO B 51 -11.935 -10.236 -7.575 1.00 0.00 C ATOM 2114 O PRO B 51 -11.553 -10.867 -6.589 1.00 0.00 O ATOM 2115 CB PRO B 51 -14.010 -9.101 -6.728 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.964 -8.220 -7.461 1.00 0.00 C ATOM 2117 CD PRO B 51 -14.464 -8.159 -8.874 1.00 0.00 C ATOM 0 HA PRO B 51 -11.963 -8.269 -6.861 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -14.323 -10.144 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -13.957 -8.831 -5.673 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -15.976 -8.622 -7.422 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -14.999 -7.226 -7.016 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -14.871 -8.967 -9.482 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -14.741 -7.224 -9.361 1.00 0.00 H new ATOM 2125 N ALA B 52 -11.746 -10.664 -8.812 1.00 0.00 N ATOM 2126 CA ALA B 52 -11.031 -11.896 -9.092 1.00 0.00 C ATOM 2127 C ALA B 52 -9.523 -11.659 -9.087 1.00 0.00 C ATOM 2128 O ALA B 52 -8.748 -12.544 -8.730 1.00 0.00 O ATOM 2129 CB ALA B 52 -11.475 -12.471 -10.428 1.00 0.00 C ATOM 0 H ALA B 52 -12.080 -10.173 -9.641 1.00 0.00 H new ATOM 0 HA ALA B 52 -11.265 -12.616 -8.307 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -10.931 -13.395 -10.625 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -12.544 -12.679 -10.397 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.268 -11.752 -11.220 1.00 0.00 H new ATOM 2135 N GLN B 53 -9.108 -10.453 -9.461 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.684 -10.148 -9.587 1.00 0.00 C ATOM 2137 C GLN B 53 -7.157 -9.416 -8.359 1.00 0.00 C ATOM 2138 O GLN B 53 -5.952 -9.218 -8.223 1.00 0.00 O ATOM 2139 CB GLN B 53 -7.418 -9.291 -10.825 1.00 0.00 C ATOM 2140 CG GLN B 53 -7.875 -9.914 -12.130 1.00 0.00 C ATOM 2141 CD GLN B 53 -7.434 -9.104 -13.333 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -6.382 -8.466 -13.313 1.00 0.00 O ATOM 2143 NE2 GLN B 53 -8.237 -9.109 -14.381 1.00 0.00 N ATOM 0 H GLN B 53 -9.730 -9.675 -9.681 1.00 0.00 H new ATOM 0 HA GLN B 53 -7.164 -11.101 -9.681 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -7.918 -8.330 -10.701 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -6.349 -9.088 -10.888 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.476 -10.925 -12.208 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.962 -10.000 -12.130 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.101 -9.651 -14.359 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -7.993 -8.571 -15.213 1.00 0.00 H new ATOM 2152 N ARG B 54 -8.059 -9.028 -7.463 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.695 -8.188 -6.321 1.00 0.00 C ATOM 2154 C ARG B 54 -6.609 -8.826 -5.451 1.00 0.00 C ATOM 2155 O ARG B 54 -5.701 -8.139 -4.986 1.00 0.00 O ATOM 2156 CB ARG B 54 -8.928 -7.851 -5.474 1.00 0.00 C ATOM 2157 CG ARG B 54 -9.695 -9.063 -4.976 1.00 0.00 C ATOM 2158 CD ARG B 54 -10.881 -8.653 -4.119 1.00 0.00 C ATOM 2159 NE ARG B 54 -11.755 -9.782 -3.807 1.00 0.00 N ATOM 2160 CZ ARG B 54 -12.687 -9.764 -2.853 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -12.855 -8.683 -2.097 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -13.462 -10.826 -2.673 1.00 0.00 N ATOM 0 H ARG B 54 -9.047 -9.280 -7.503 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.284 -7.265 -6.729 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -8.613 -7.257 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -9.600 -7.228 -6.064 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -10.044 -9.650 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -9.030 -9.704 -4.397 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.520 -8.208 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -11.454 -7.885 -4.639 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.645 -10.637 -4.353 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -12.269 -7.861 -2.245 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.570 -8.676 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.343 -11.650 -3.262 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.177 -10.818 -1.945 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.688 -10.135 -5.248 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.708 -10.824 -4.417 1.00 0.00 C ATOM 2178 C GLN B 55 -4.415 -11.043 -5.198 1.00 0.00 C ATOM 2179 O GLN B 55 -3.319 -10.962 -4.642 1.00 0.00 O ATOM 2180 CB GLN B 55 -6.278 -12.154 -3.903 1.00 0.00 C ATOM 2181 CG GLN B 55 -5.441 -12.799 -2.804 1.00 0.00 C ATOM 2182 CD GLN B 55 -4.585 -13.951 -3.299 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -4.205 -14.008 -4.466 1.00 0.00 O ATOM 2184 NE2 GLN B 55 -4.265 -14.874 -2.406 1.00 0.00 N ATOM 0 H GLN B 55 -7.412 -10.736 -5.642 1.00 0.00 H new ATOM 0 HA GLN B 55 -5.481 -10.202 -3.551 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -7.287 -11.985 -3.526 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -6.362 -12.849 -4.738 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -4.796 -12.043 -2.357 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -6.103 -13.160 -2.017 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -4.600 -14.792 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -3.684 -15.667 -2.678 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.549 -11.283 -6.497 1.00 0.00 N ATOM 2194 CA ALA B 56 -3.395 -11.500 -7.361 1.00 0.00 C ATOM 2195 C ALA B 56 -2.553 -10.232 -7.477 1.00 0.00 C ATOM 2196 O ALA B 56 -1.321 -10.283 -7.417 1.00 0.00 O ATOM 2197 CB ALA B 56 -3.850 -11.968 -8.734 1.00 0.00 C ATOM 0 H ALA B 56 -5.448 -11.332 -6.976 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.772 -12.275 -6.915 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -2.980 -12.127 -9.371 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -4.403 -12.902 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.494 -11.211 -9.182 1.00 0.00 H new ATOM 2203 N ILE B 57 -3.224 -9.097 -7.640 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.545 -7.808 -7.689 1.00 0.00 C ATOM 2205 C ILE B 57 -1.863 -7.525 -6.354 1.00 0.00 C ATOM 2206 O ILE B 57 -0.746 -7.004 -6.312 1.00 0.00 O ATOM 2207 CB ILE B 57 -3.528 -6.662 -8.025 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -4.144 -6.882 -9.411 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -2.826 -5.310 -7.960 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -5.149 -5.821 -9.807 1.00 0.00 C ATOM 0 H ILE B 57 -4.238 -9.044 -7.740 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.797 -7.856 -8.480 1.00 0.00 H new ATOM 0 HB ILE B 57 -4.327 -6.665 -7.283 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -3.346 -6.909 -10.153 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -4.631 -7.857 -9.431 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -3.537 -4.519 -8.200 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -2.433 -5.152 -6.956 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -2.006 -5.291 -8.678 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -5.542 -6.044 -10.799 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -5.967 -5.808 -9.087 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -4.662 -4.846 -9.820 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.535 -7.897 -5.269 1.00 0.00 N ATOM 2223 CA ALA B 58 -1.989 -7.735 -3.930 1.00 0.00 C ATOM 2224 C ALA B 58 -0.665 -8.475 -3.791 1.00 0.00 C ATOM 2225 O ALA B 58 0.310 -7.926 -3.278 1.00 0.00 O ATOM 2226 CB ALA B 58 -2.983 -8.230 -2.893 1.00 0.00 C ATOM 0 H ALA B 58 -3.465 -8.315 -5.294 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.805 -6.674 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.562 -8.103 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -3.907 -7.657 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.194 -9.285 -3.066 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.638 -9.718 -4.260 1.00 0.00 N ATOM 2233 CA ASN B 59 0.578 -10.526 -4.226 1.00 0.00 C ATOM 2234 C ASN B 59 1.687 -9.861 -5.028 1.00 0.00 C ATOM 2235 O ASN B 59 2.827 -9.775 -4.577 1.00 0.00 O ATOM 2236 CB ASN B 59 0.322 -11.928 -4.786 1.00 0.00 C ATOM 2237 CG ASN B 59 -0.608 -12.753 -3.921 1.00 0.00 C ATOM 2238 OD1 ASN B 59 -0.642 -12.603 -2.700 1.00 0.00 O ATOM 2239 ND2 ASN B 59 -1.364 -13.637 -4.552 1.00 0.00 N ATOM 0 H ASN B 59 -1.445 -10.189 -4.669 1.00 0.00 H new ATOM 0 HA ASN B 59 0.886 -10.611 -3.184 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -0.103 -11.841 -5.786 1.00 0.00 H new ATOM 0 HB3 ASN B 59 1.273 -12.451 -4.888 1.00 0.00 H new ATOM 0 HD21 ASN B 59 -2.007 -14.227 -4.024 1.00 0.00 H new ATOM 0 HD22 ASN B 59 -1.304 -13.728 -5.566 1.00 0.00 H new ATOM 2246 N SER B 60 1.341 -9.380 -6.215 1.00 0.00 N ATOM 2247 CA SER B 60 2.311 -8.748 -7.095 1.00 0.00 C ATOM 2248 C SER B 60 2.850 -7.467 -6.460 1.00 0.00 C ATOM 2249 O SER B 60 4.046 -7.186 -6.529 1.00 0.00 O ATOM 2250 CB SER B 60 1.671 -8.448 -8.453 1.00 0.00 C ATOM 2251 OG SER B 60 2.647 -8.377 -9.482 1.00 0.00 O ATOM 0 H SER B 60 0.393 -9.416 -6.590 1.00 0.00 H new ATOM 0 HA SER B 60 3.146 -9.432 -7.247 1.00 0.00 H new ATOM 0 HB2 SER B 60 0.943 -9.223 -8.693 1.00 0.00 H new ATOM 0 HB3 SER B 60 1.127 -7.505 -8.400 1.00 0.00 H new ATOM 0 HG SER B 60 2.208 -8.186 -10.337 1.00 0.00 H new ATOM 2257 N PHE B 61 1.962 -6.702 -5.829 1.00 0.00 N ATOM 2258 CA PHE B 61 2.354 -5.476 -5.143 1.00 0.00 C ATOM 2259 C PHE B 61 3.285 -5.801 -3.979 1.00 0.00 C ATOM 2260 O PHE B 61 4.282 -5.116 -3.757 1.00 0.00 O ATOM 2261 CB PHE B 61 1.115 -4.723 -4.644 1.00 0.00 C ATOM 2262 CG PHE B 61 1.419 -3.385 -4.024 1.00 0.00 C ATOM 2263 CD1 PHE B 61 1.581 -2.259 -4.816 1.00 0.00 C ATOM 2264 CD2 PHE B 61 1.538 -3.254 -2.650 1.00 0.00 C ATOM 2265 CE1 PHE B 61 1.856 -1.028 -4.248 1.00 0.00 C ATOM 2266 CE2 PHE B 61 1.813 -2.027 -2.076 1.00 0.00 C ATOM 2267 CZ PHE B 61 1.972 -0.912 -2.876 1.00 0.00 C ATOM 0 H PHE B 61 0.965 -6.911 -5.779 1.00 0.00 H new ATOM 0 HA PHE B 61 2.885 -4.835 -5.847 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.430 -4.577 -5.479 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.597 -5.342 -3.911 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.491 -2.344 -5.889 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.414 -4.122 -2.019 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.980 -0.158 -4.876 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.903 -1.940 -1.003 1.00 0.00 H new ATOM 0 HZ PHE B 61 2.186 0.048 -2.430 1.00 0.00 H new ATOM 2277 N ALA B 62 2.959 -6.862 -3.250 1.00 0.00 N ATOM 2278 CA ALA B 62 3.786 -7.319 -2.145 1.00 0.00 C ATOM 2279 C ALA B 62 5.173 -7.712 -2.641 1.00 0.00 C ATOM 2280 O ALA B 62 6.185 -7.306 -2.073 1.00 0.00 O ATOM 2281 CB ALA B 62 3.119 -8.485 -1.431 1.00 0.00 C ATOM 0 H ALA B 62 2.122 -7.423 -3.408 1.00 0.00 H new ATOM 0 HA ALA B 62 3.898 -6.500 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.750 -8.816 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.151 -8.168 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA B 62 2.977 -9.308 -2.132 1.00 0.00 H new ATOM 2287 N ARG B 63 5.211 -8.480 -3.723 1.00 0.00 N ATOM 2288 CA ARG B 63 6.476 -8.897 -4.318 1.00 0.00 C ATOM 2289 C ARG B 63 7.285 -7.688 -4.774 1.00 0.00 C ATOM 2290 O ARG B 63 8.509 -7.668 -4.652 1.00 0.00 O ATOM 2291 CB ARG B 63 6.235 -9.839 -5.498 1.00 0.00 C ATOM 2292 CG ARG B 63 5.593 -11.156 -5.101 1.00 0.00 C ATOM 2293 CD ARG B 63 5.486 -12.108 -6.283 1.00 0.00 C ATOM 2294 NE ARG B 63 6.796 -12.410 -6.862 1.00 0.00 N ATOM 2295 CZ ARG B 63 7.383 -13.605 -6.798 1.00 0.00 C ATOM 2296 NH1 ARG B 63 6.792 -14.610 -6.166 1.00 0.00 N ATOM 2297 NH2 ARG B 63 8.567 -13.790 -7.365 1.00 0.00 N ATOM 0 H ARG B 63 4.382 -8.827 -4.206 1.00 0.00 H new ATOM 0 HA ARG B 63 7.044 -9.429 -3.555 1.00 0.00 H new ATOM 0 HB2 ARG B 63 5.598 -9.339 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG B 63 7.186 -10.042 -5.991 1.00 0.00 H new ATOM 0 HG2 ARG B 63 6.179 -11.623 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG B 63 4.600 -10.968 -4.693 1.00 0.00 H new ATOM 0 HD2 ARG B 63 5.009 -13.034 -5.961 1.00 0.00 H new ATOM 0 HD3 ARG B 63 4.845 -11.668 -7.046 1.00 0.00 H new ATOM 0 HE ARG B 63 7.290 -11.659 -7.344 1.00 0.00 H new ATOM 0 HH11 ARG B 63 5.883 -14.471 -5.725 1.00 0.00 H new ATOM 0 HH12 ARG B 63 7.247 -15.522 -6.121 1.00 0.00 H new ATOM 0 HH21 ARG B 63 9.027 -13.019 -7.849 1.00 0.00 H new ATOM 0 HH22 ARG B 63 9.018 -14.704 -7.317 1.00 0.00 H new ATOM 2311 N ALA B 64 6.596 -6.680 -5.295 1.00 0.00 N ATOM 2312 CA ALA B 64 7.247 -5.450 -5.718 1.00 0.00 C ATOM 2313 C ALA B 64 7.818 -4.704 -4.516 1.00 0.00 C ATOM 2314 O ALA B 64 8.857 -4.055 -4.611 1.00 0.00 O ATOM 2315 CB ALA B 64 6.272 -4.564 -6.479 1.00 0.00 C ATOM 0 H ALA B 64 5.586 -6.692 -5.434 1.00 0.00 H new ATOM 0 HA ALA B 64 8.070 -5.710 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA B 64 6.777 -3.649 -6.787 1.00 0.00 H new ATOM 0 HB2 ALA B 64 5.911 -5.094 -7.360 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.429 -4.314 -5.835 1.00 0.00 H new ATOM 2321 N LEU B 65 7.137 -4.819 -3.383 1.00 0.00 N ATOM 2322 CA LEU B 65 7.568 -4.168 -2.152 1.00 0.00 C ATOM 2323 C LEU B 65 8.782 -4.885 -1.560 1.00 0.00 C ATOM 2324 O LEU B 65 9.769 -4.253 -1.186 1.00 0.00 O ATOM 2325 CB LEU B 65 6.419 -4.152 -1.140 1.00 0.00 C ATOM 2326 CG LEU B 65 6.668 -3.326 0.124 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.769 -1.847 -0.214 1.00 0.00 C ATOM 2328 CD2 LEU B 65 5.562 -3.570 1.141 1.00 0.00 C ATOM 0 H LEU B 65 6.278 -5.361 -3.291 1.00 0.00 H new ATOM 0 HA LEU B 65 7.854 -3.142 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.527 -3.768 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.203 -5.179 -0.846 1.00 0.00 H new ATOM 0 HG LEU B 65 7.616 -3.640 0.562 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.946 -1.277 0.698 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.595 -1.688 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.839 -1.515 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.752 -2.976 2.035 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.603 -3.282 0.711 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.538 -4.627 1.406 1.00 0.00 H new ATOM 2340 N GLN B 66 8.713 -6.213 -1.499 1.00 0.00 N ATOM 2341 CA GLN B 66 9.801 -7.016 -0.940 1.00 0.00 C ATOM 2342 C GLN B 66 11.062 -6.938 -1.797 1.00 0.00 C ATOM 2343 O GLN B 66 12.167 -7.143 -1.302 1.00 0.00 O ATOM 2344 CB GLN B 66 9.377 -8.482 -0.777 1.00 0.00 C ATOM 2345 CG GLN B 66 8.722 -8.797 0.563 1.00 0.00 C ATOM 2346 CD GLN B 66 7.360 -8.154 0.741 1.00 0.00 C ATOM 2347 OE1 GLN B 66 7.342 -6.942 1.272 1.00 0.00 O flip ATOM 2348 NE2 GLN B 66 6.335 -8.741 0.403 1.00 0.00 N flip ATOM 0 H GLN B 66 7.916 -6.757 -1.829 1.00 0.00 H new ATOM 0 HA GLN B 66 10.028 -6.600 0.041 1.00 0.00 H new ATOM 0 HB2 GLN B 66 8.683 -8.739 -1.577 1.00 0.00 H new ATOM 0 HB3 GLN B 66 10.254 -9.118 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN B 66 8.620 -9.878 0.662 1.00 0.00 H new ATOM 0 HG3 GLN B 66 9.379 -8.464 1.366 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.392 -9.675 -0.003 1.00 0.00 H new ATOM 0 HE22 GLN B 66 5.427 -8.294 0.528 1.00 0.00 H new ATOM 2357 N SER B 67 10.904 -6.639 -3.077 1.00 0.00 N ATOM 2358 CA SER B 67 12.048 -6.572 -3.975 1.00 0.00 C ATOM 2359 C SER B 67 12.684 -5.182 -3.971 1.00 0.00 C ATOM 2360 O SER B 67 13.871 -5.033 -4.260 1.00 0.00 O ATOM 2361 CB SER B 67 11.631 -6.969 -5.392 1.00 0.00 C ATOM 2362 OG SER B 67 10.489 -6.243 -5.809 1.00 0.00 O ATOM 0 H SER B 67 10.004 -6.441 -3.515 1.00 0.00 H new ATOM 0 HA SER B 67 12.798 -7.277 -3.616 1.00 0.00 H new ATOM 0 HB2 SER B 67 12.455 -6.785 -6.082 1.00 0.00 H new ATOM 0 HB3 SER B 67 11.419 -8.038 -5.426 1.00 0.00 H new ATOM 0 HG SER B 67 9.682 -6.667 -5.449 1.00 0.00 H new ATOM 2368 N SER B 68 11.894 -4.166 -3.643 1.00 0.00 N ATOM 2369 CA SER B 68 12.391 -2.798 -3.615 1.00 0.00 C ATOM 2370 C SER B 68 12.997 -2.464 -2.254 1.00 0.00 C ATOM 2371 O SER B 68 14.006 -1.762 -2.167 1.00 0.00 O ATOM 2372 CB SER B 68 11.270 -1.819 -3.964 1.00 0.00 C ATOM 2373 OG SER B 68 10.083 -2.129 -3.256 1.00 0.00 O ATOM 0 H SER B 68 10.910 -4.264 -3.394 1.00 0.00 H new ATOM 0 HA SER B 68 13.178 -2.704 -4.363 1.00 0.00 H new ATOM 0 HB2 SER B 68 11.584 -0.803 -3.726 1.00 0.00 H new ATOM 0 HB3 SER B 68 11.076 -1.850 -5.036 1.00 0.00 H new ATOM 0 HG SER B 68 9.529 -2.731 -3.795 1.00 0.00 H new ATOM 2379 N ILE B 69 12.380 -2.968 -1.193 1.00 0.00 N ATOM 2380 CA ILE B 69 12.917 -2.793 0.145 1.00 0.00 C ATOM 2381 C ILE B 69 14.063 -3.771 0.378 1.00 0.00 C ATOM 2382 O ILE B 69 13.869 -4.986 0.328 1.00 0.00 O ATOM 2383 CB ILE B 69 11.834 -2.982 1.230 1.00 0.00 C ATOM 2384 CG1 ILE B 69 10.727 -1.939 1.051 1.00 0.00 C ATOM 2385 CG2 ILE B 69 12.444 -2.881 2.621 1.00 0.00 C ATOM 2386 CD1 ILE B 69 9.637 -2.016 2.097 1.00 0.00 C ATOM 0 H ILE B 69 11.510 -3.499 -1.235 1.00 0.00 H new ATOM 0 HA ILE B 69 13.286 -1.770 0.221 1.00 0.00 H new ATOM 0 HB ILE B 69 11.401 -3.976 1.122 1.00 0.00 H new ATOM 0 HG12 ILE B 69 11.171 -0.944 1.076 1.00 0.00 H new ATOM 0 HG13 ILE B 69 10.280 -2.064 0.065 1.00 0.00 H new ATOM 0 HG21 ILE B 69 11.665 -3.017 3.371 1.00 0.00 H new ATOM 0 HG22 ILE B 69 13.203 -3.654 2.742 1.00 0.00 H new ATOM 0 HG23 ILE B 69 12.902 -1.900 2.747 1.00 0.00 H new ATOM 0 HD11 ILE B 69 8.891 -1.246 1.902 1.00 0.00 H new ATOM 0 HD12 ILE B 69 9.164 -2.997 2.058 1.00 0.00 H new ATOM 0 HD13 ILE B 69 10.070 -1.860 3.085 1.00 0.00 H new