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 66 GLN :FLIP amide:sc= -0.409 F(o=-0.96,f=-0.45) USER MOD Set 1.2: B 59 ASN : amide:sc= -0.0412 K(o=-0.45,f=-1.6!) USER MOD Set 2.1: A 47 THR OG1 : rot -73:sc= 1.16 USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 39 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Set 3.2: A 43 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Set 4.1: A 26 HIS : no HD1:sc= -1.96! C(o=-1.7!,f=-5!) USER MOD Set 4.2: B 14 GLN : amide:sc= 0.214 X(o=-1.7,f=-1.9) USER MOD Set 5.1: A 11 GLN : amide:sc= -0.474 K(o=1.2,f=-0.56) USER MOD Set 5.2: A 14 GLN : amide:sc= 0.579 K(o=1.2,f=-1.6) USER MOD Set 5.3: B 26 HIS : no HD1:sc= 1.05 K(o=1.2,f=-5.3!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0706) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.23 (180deg=1.01) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 33 SER OG : rot 69:sc= 0.916 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -149:sc= 0 (180deg=-0.889) USER MOD Single : A 42 THR OG1 : rot 61:sc= 1.29 USER MOD Single : A 46 ASN : amide:sc= -0.0479 K(o=-0.048,f=-1.3!) USER MOD Single : A 53 GLN : amide:sc= -0.0299 K(o=-0.03,f=-0.59) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 60 SER OG : rot 16:sc= 0.749 USER MOD Single : A 67 SER OG : rot -24:sc= 0.212 USER MOD Single : A 68 SER OG : rot 69:sc= 1.29 USER MOD Single : B 8 SER OG : rot 25:sc= 0.137 USER MOD Single : B 11 GLN : amide:sc= 0.113 X(o=0.11,f=-0.061) USER MOD Single : B 21 ASN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 172:sc= -0.0104 (180deg=-0.112) USER MOD Single : B 27 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.09) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 39 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot 70:sc= 1.26 USER MOD Single : B 43 ASN :FLIP amide:sc=-0.00749 F(o=-1.2,f=-0.0075) USER MOD Single : B 46 ASN : amide:sc= 0.234 K(o=0.23,f=-6!) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot -28:sc= 0.132 USER MOD Single : B 53 GLN : amide:sc= -0.344 K(o=-0.34,f=-3.2!) USER MOD Single : B 55 GLN : amide:sc= 0.256 K(o=0.26,f=-0.55) USER MOD Single : B 60 SER OG : rot 67:sc= 0.24 USER MOD Single : B 66 GLN : amide:sc= -0.656 K(o=-0.66,f=-1.3) USER MOD Single : B 67 SER OG : rot 67:sc= 1.25 USER MOD Single : B 68 SER OG : rot 70:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 137 N ASP A 9 -10.934 8.227 14.604 1.00 0.00 N ATOM 138 CA ASP A 9 -11.468 7.639 13.381 1.00 0.00 C ATOM 139 C ASP A 9 -11.886 8.734 12.409 1.00 0.00 C ATOM 140 O ASP A 9 -11.874 8.535 11.194 1.00 0.00 O ATOM 141 CB ASP A 9 -12.653 6.709 13.683 1.00 0.00 C ATOM 142 CG ASP A 9 -13.881 7.440 14.198 1.00 0.00 C ATOM 143 OD1 ASP A 9 -14.692 7.904 13.370 1.00 0.00 O ATOM 144 OD2 ASP A 9 -14.047 7.539 15.436 1.00 0.00 O ATOM 0 HA ASP A 9 -10.681 7.041 12.922 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.918 6.165 12.777 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.345 5.968 14.421 1.00 0.00 H new ATOM 149 N GLU A 10 -12.227 9.899 12.950 1.00 0.00 N ATOM 150 CA GLU A 10 -12.598 11.042 12.133 1.00 0.00 C ATOM 151 C GLU A 10 -11.386 11.528 11.349 1.00 0.00 C ATOM 152 O GLU A 10 -11.511 12.015 10.230 1.00 0.00 O ATOM 153 CB GLU A 10 -13.138 12.189 12.994 1.00 0.00 C ATOM 154 CG GLU A 10 -13.947 11.744 14.202 1.00 0.00 C ATOM 155 CD GLU A 10 -13.099 11.639 15.451 1.00 0.00 C ATOM 156 OE1 GLU A 10 -12.283 10.703 15.550 1.00 0.00 O ATOM 157 OE2 GLU A 10 -13.231 12.504 16.340 1.00 0.00 O ATOM 0 H GLU A 10 -12.253 10.074 13.955 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.384 10.726 11.447 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.299 12.795 13.337 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.761 12.831 12.372 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.758 12.451 14.374 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.406 10.777 13.994 1.00 0.00 H new ATOM 164 N GLN A 11 -10.209 11.379 11.947 1.00 0.00 N ATOM 165 CA GLN A 11 -8.969 11.804 11.318 1.00 0.00 C ATOM 166 C GLN A 11 -8.494 10.756 10.322 1.00 0.00 C ATOM 167 O GLN A 11 -8.014 11.093 9.241 1.00 0.00 O ATOM 168 CB GLN A 11 -7.891 12.061 12.375 1.00 0.00 C ATOM 169 CG GLN A 11 -6.571 12.552 11.797 1.00 0.00 C ATOM 170 CD GLN A 11 -6.723 13.811 10.960 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.980 14.023 10.006 1.00 0.00 O ATOM 172 NE2 GLN A 11 -7.679 14.661 11.319 1.00 0.00 N ATOM 0 H GLN A 11 -10.090 10.965 12.871 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.156 12.735 10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.262 12.798 13.087 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.714 11.141 12.931 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.873 12.746 12.612 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.134 11.764 11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.276 14.449 12.118 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.816 15.526 10.795 1.00 0.00 H new ATOM 181 N VAL A 12 -8.639 9.488 10.693 1.00 0.00 N ATOM 182 CA VAL A 12 -8.283 8.383 9.807 1.00 0.00 C ATOM 183 C VAL A 12 -9.013 8.516 8.474 1.00 0.00 C ATOM 184 O VAL A 12 -8.405 8.444 7.406 1.00 0.00 O ATOM 185 CB VAL A 12 -8.621 7.013 10.444 1.00 0.00 C ATOM 186 CG1 VAL A 12 -8.283 5.869 9.496 1.00 0.00 C ATOM 187 CG2 VAL A 12 -7.885 6.843 11.765 1.00 0.00 C ATOM 0 H VAL A 12 -9.001 9.199 11.602 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.207 8.430 9.642 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.694 6.987 10.636 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.531 4.919 9.969 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.858 5.977 8.576 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.218 5.892 9.263 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.134 5.875 12.199 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.810 6.897 11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.182 7.635 12.452 1.00 0.00 H new ATOM 197 N GLU A 13 -10.317 8.745 8.547 1.00 0.00 N ATOM 198 CA GLU A 13 -11.129 8.889 7.350 1.00 0.00 C ATOM 199 C GLU A 13 -10.896 10.243 6.684 1.00 0.00 C ATOM 200 O GLU A 13 -11.056 10.374 5.473 1.00 0.00 O ATOM 201 CB GLU A 13 -12.610 8.710 7.681 1.00 0.00 C ATOM 202 CG GLU A 13 -12.925 7.361 8.304 1.00 0.00 C ATOM 203 CD GLU A 13 -14.410 7.124 8.463 1.00 0.00 C ATOM 204 OE1 GLU A 13 -15.025 7.753 9.348 1.00 0.00 O ATOM 205 OE2 GLU A 13 -14.968 6.295 7.709 1.00 0.00 O ATOM 0 H GLU A 13 -10.833 8.835 9.422 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.829 8.110 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.921 9.500 8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.196 8.828 6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.499 6.571 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.444 7.295 9.280 1.00 0.00 H new ATOM 212 N GLN A 14 -10.514 11.244 7.474 1.00 0.00 N ATOM 213 CA GLN A 14 -10.237 12.577 6.945 1.00 0.00 C ATOM 214 C GLN A 14 -8.969 12.563 6.100 1.00 0.00 C ATOM 215 O GLN A 14 -8.976 13.002 4.952 1.00 0.00 O ATOM 216 CB GLN A 14 -10.092 13.594 8.081 1.00 0.00 C ATOM 217 CG GLN A 14 -9.841 15.015 7.602 1.00 0.00 C ATOM 218 CD GLN A 14 -9.864 16.025 8.733 1.00 0.00 C ATOM 219 OE1 GLN A 14 -8.835 16.341 9.334 1.00 0.00 O ATOM 220 NE2 GLN A 14 -11.046 16.529 9.042 1.00 0.00 N ATOM 0 H GLN A 14 -10.389 11.157 8.483 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.079 12.871 6.318 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.998 13.579 8.688 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.270 13.288 8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.875 15.060 7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.597 15.284 6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.875 16.242 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.130 17.205 9.802 1.00 0.00 H new ATOM 229 N LEU A 15 -7.892 12.036 6.671 1.00 0.00 N ATOM 230 CA LEU A 15 -6.615 11.953 5.976 1.00 0.00 C ATOM 231 C LEU A 15 -6.755 11.122 4.707 1.00 0.00 C ATOM 232 O LEU A 15 -6.285 11.516 3.640 1.00 0.00 O ATOM 233 CB LEU A 15 -5.547 11.343 6.890 1.00 0.00 C ATOM 234 CG LEU A 15 -4.140 11.265 6.289 1.00 0.00 C ATOM 235 CD1 LEU A 15 -3.600 12.657 6.000 1.00 0.00 C ATOM 236 CD2 LEU A 15 -3.206 10.513 7.224 1.00 0.00 C ATOM 0 H LEU A 15 -7.879 11.658 7.618 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.306 12.962 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.500 11.928 7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.862 10.337 7.169 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.199 10.721 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.600 12.578 5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.257 13.163 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.555 13.230 6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.210 10.466 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.155 11.031 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.583 9.502 7.379 1.00 0.00 H new ATOM 248 N LEU A 16 -7.425 9.980 4.831 1.00 0.00 N ATOM 249 CA LEU A 16 -7.657 9.101 3.693 1.00 0.00 C ATOM 250 C LEU A 16 -8.482 9.825 2.633 1.00 0.00 C ATOM 251 O LEU A 16 -8.178 9.751 1.441 1.00 0.00 O ATOM 252 CB LEU A 16 -8.365 7.818 4.156 1.00 0.00 C ATOM 253 CG LEU A 16 -8.411 6.668 3.140 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.563 5.340 3.861 1.00 0.00 C ATOM 255 CD2 LEU A 16 -9.557 6.851 2.152 1.00 0.00 C ATOM 0 H LEU A 16 -7.817 9.643 5.710 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.699 8.825 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.870 7.459 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.388 8.072 4.434 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.474 6.674 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.595 4.531 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.717 5.191 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.487 5.343 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.564 6.021 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.503 6.875 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.425 7.788 1.611 1.00 0.00 H new ATOM 267 N ALA A 17 -9.511 10.544 3.076 1.00 0.00 N ATOM 268 CA ALA A 17 -10.362 11.299 2.167 1.00 0.00 C ATOM 269 C ALA A 17 -9.557 12.350 1.422 1.00 0.00 C ATOM 270 O ALA A 17 -9.684 12.483 0.211 1.00 0.00 O ATOM 271 CB ALA A 17 -11.511 11.955 2.919 1.00 0.00 C ATOM 0 H ALA A 17 -9.773 10.618 4.059 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.777 10.600 1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.133 12.513 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.112 11.187 3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.112 12.635 3.672 1.00 0.00 H new ATOM 277 N GLU A 18 -8.719 13.081 2.149 1.00 0.00 N ATOM 278 CA GLU A 18 -7.880 14.108 1.544 1.00 0.00 C ATOM 279 C GLU A 18 -6.932 13.511 0.512 1.00 0.00 C ATOM 280 O GLU A 18 -6.803 14.041 -0.592 1.00 0.00 O ATOM 281 CB GLU A 18 -7.079 14.858 2.606 1.00 0.00 C ATOM 282 CG GLU A 18 -7.917 15.791 3.457 1.00 0.00 C ATOM 283 CD GLU A 18 -7.071 16.649 4.372 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.249 17.436 3.860 1.00 0.00 O ATOM 285 OE2 GLU A 18 -7.216 16.540 5.602 1.00 0.00 O ATOM 0 H GLU A 18 -8.603 12.981 3.157 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.544 14.811 1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.586 14.134 3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.294 15.434 2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.513 16.433 2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.615 15.205 4.055 1.00 0.00 H new ATOM 292 N LEU A 19 -6.282 12.410 0.868 1.00 0.00 N ATOM 293 CA LEU A 19 -5.338 11.754 -0.029 1.00 0.00 C ATOM 294 C LEU A 19 -6.045 11.242 -1.282 1.00 0.00 C ATOM 295 O LEU A 19 -5.568 11.438 -2.402 1.00 0.00 O ATOM 296 CB LEU A 19 -4.630 10.601 0.688 1.00 0.00 C ATOM 297 CG LEU A 19 -3.794 11.010 1.906 1.00 0.00 C ATOM 298 CD1 LEU A 19 -3.197 9.784 2.579 1.00 0.00 C ATOM 299 CD2 LEU A 19 -2.698 11.985 1.501 1.00 0.00 C ATOM 0 H LEU A 19 -6.391 11.952 1.773 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.592 12.489 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.380 9.877 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.981 10.094 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.449 11.509 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.607 10.094 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.999 9.122 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.557 9.256 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.116 12.263 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.045 11.513 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.148 12.878 1.066 1.00 0.00 H new ATOM 311 N LEU A 20 -7.192 10.603 -1.089 1.00 0.00 N ATOM 312 CA LEU A 20 -7.980 10.091 -2.205 1.00 0.00 C ATOM 313 C LEU A 20 -8.526 11.246 -3.041 1.00 0.00 C ATOM 314 O LEU A 20 -8.592 11.165 -4.269 1.00 0.00 O ATOM 315 CB LEU A 20 -9.128 9.221 -1.685 1.00 0.00 C ATOM 316 CG LEU A 20 -9.984 8.551 -2.761 1.00 0.00 C ATOM 317 CD1 LEU A 20 -9.138 7.607 -3.606 1.00 0.00 C ATOM 318 CD2 LEU A 20 -11.143 7.803 -2.123 1.00 0.00 C ATOM 0 H LEU A 20 -7.598 10.426 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.336 9.479 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.711 8.446 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.775 9.838 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.389 9.325 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.764 7.139 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.339 8.169 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.705 6.836 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.744 7.331 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.756 7.038 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.762 8.502 -1.561 1.00 0.00 H new ATOM 330 N ASN A 21 -8.903 12.324 -2.363 1.00 0.00 N ATOM 331 CA ASN A 21 -9.403 13.522 -3.028 1.00 0.00 C ATOM 332 C ASN A 21 -8.344 14.101 -3.953 1.00 0.00 C ATOM 333 O ASN A 21 -8.636 14.434 -5.097 1.00 0.00 O ATOM 334 CB ASN A 21 -9.830 14.569 -1.995 1.00 0.00 C ATOM 335 CG ASN A 21 -10.339 15.853 -2.626 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.880 15.854 -3.734 1.00 0.00 O ATOM 337 ND2 ASN A 21 -10.183 16.956 -1.914 1.00 0.00 N ATOM 0 H ASN A 21 -8.871 12.393 -1.346 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.272 13.244 -3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.610 14.148 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.983 14.799 -1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.516 17.849 -2.278 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.730 16.914 -1.001 1.00 0.00 H new ATOM 344 N VAL A 22 -7.112 14.200 -3.458 1.00 0.00 N ATOM 345 CA VAL A 22 -6.002 14.703 -4.260 1.00 0.00 C ATOM 346 C VAL A 22 -5.812 13.847 -5.508 1.00 0.00 C ATOM 347 O VAL A 22 -5.582 14.364 -6.601 1.00 0.00 O ATOM 348 CB VAL A 22 -4.684 14.743 -3.451 1.00 0.00 C ATOM 349 CG1 VAL A 22 -3.513 15.151 -4.332 1.00 0.00 C ATOM 350 CG2 VAL A 22 -4.810 15.695 -2.275 1.00 0.00 C ATOM 0 H VAL A 22 -6.859 13.938 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.252 15.722 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.493 13.739 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.600 15.171 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.401 14.433 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.698 16.142 -4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.874 15.710 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.031 16.698 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.616 15.361 -1.621 1.00 0.00 H new ATOM 360 N LEU A 23 -5.938 12.536 -5.342 1.00 0.00 N ATOM 361 CA LEU A 23 -5.836 11.613 -6.463 1.00 0.00 C ATOM 362 C LEU A 23 -6.930 11.925 -7.485 1.00 0.00 C ATOM 363 O LEU A 23 -6.651 12.078 -8.672 1.00 0.00 O ATOM 364 CB LEU A 23 -5.940 10.163 -5.962 1.00 0.00 C ATOM 365 CG LEU A 23 -5.440 9.075 -6.926 1.00 0.00 C ATOM 366 CD1 LEU A 23 -5.195 7.778 -6.174 1.00 0.00 C ATOM 367 CD2 LEU A 23 -6.436 8.834 -8.053 1.00 0.00 C ATOM 0 H LEU A 23 -6.111 12.089 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.867 11.732 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.378 10.081 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.983 9.957 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.504 9.423 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.841 7.016 -6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.444 7.942 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.124 7.444 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.053 8.059 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.390 8.514 -7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.579 9.756 -8.616 1.00 0.00 H new ATOM 379 N GLU A 24 -8.164 12.064 -7.008 1.00 0.00 N ATOM 380 CA GLU A 24 -9.305 12.372 -7.873 1.00 0.00 C ATOM 381 C GLU A 24 -9.218 13.786 -8.456 1.00 0.00 C ATOM 382 O GLU A 24 -9.895 14.104 -9.433 1.00 0.00 O ATOM 383 CB GLU A 24 -10.614 12.200 -7.099 1.00 0.00 C ATOM 384 CG GLU A 24 -11.114 10.765 -7.060 1.00 0.00 C ATOM 385 CD GLU A 24 -11.807 10.355 -8.347 1.00 0.00 C ATOM 386 OE1 GLU A 24 -11.173 10.417 -9.422 1.00 0.00 O ATOM 387 OE2 GLU A 24 -12.998 9.979 -8.288 1.00 0.00 O ATOM 0 H GLU A 24 -8.403 11.968 -6.021 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.282 11.672 -8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.472 12.554 -6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.379 12.830 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.274 10.096 -6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.805 10.647 -6.226 1.00 0.00 H new ATOM 394 N LYS A 25 -8.395 14.634 -7.850 1.00 0.00 N ATOM 395 CA LYS A 25 -8.181 15.986 -8.357 1.00 0.00 C ATOM 396 C LYS A 25 -7.300 15.963 -9.600 1.00 0.00 C ATOM 397 O LYS A 25 -7.332 16.886 -10.412 1.00 0.00 O ATOM 398 CB LYS A 25 -7.545 16.878 -7.285 1.00 0.00 C ATOM 399 CG LYS A 25 -8.492 17.250 -6.153 1.00 0.00 C ATOM 400 CD LYS A 25 -7.772 17.998 -5.041 1.00 0.00 C ATOM 401 CE LYS A 25 -7.168 19.307 -5.531 1.00 0.00 C ATOM 402 NZ LYS A 25 -8.207 20.276 -5.973 1.00 0.00 N ATOM 0 H LYS A 25 -7.865 14.410 -7.008 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.154 16.399 -8.622 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.678 16.366 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.180 17.791 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.301 17.868 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.948 16.347 -5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.471 18.203 -4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.984 17.366 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.575 19.752 -4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.488 19.104 -6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.763 21.196 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.667 19.922 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.919 20.388 -5.223 1.00 0.00 H new ATOM 416 N HIS A 26 -6.513 14.907 -9.747 1.00 0.00 N ATOM 417 CA HIS A 26 -5.629 14.777 -10.900 1.00 0.00 C ATOM 418 C HIS A 26 -6.161 13.725 -11.866 1.00 0.00 C ATOM 419 O HIS A 26 -6.141 13.925 -13.081 1.00 0.00 O ATOM 420 CB HIS A 26 -4.201 14.414 -10.464 1.00 0.00 C ATOM 421 CG HIS A 26 -3.524 15.469 -9.640 1.00 0.00 C ATOM 422 ND1 HIS A 26 -2.727 16.459 -10.179 1.00 0.00 N ATOM 423 CD2 HIS A 26 -3.515 15.677 -8.303 1.00 0.00 C ATOM 424 CE1 HIS A 26 -2.264 17.224 -9.211 1.00 0.00 C ATOM 425 NE2 HIS A 26 -2.726 16.770 -8.067 1.00 0.00 N ATOM 0 H HIS A 26 -6.467 14.131 -9.087 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.599 15.741 -11.407 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.232 13.486 -9.892 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.600 14.221 -11.352 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.034 15.090 -7.560 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.615 18.078 -9.336 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.528 17.169 -7.149 1.00 0.00 H new ATOM 434 N LYS A 27 -6.656 12.622 -11.300 1.00 0.00 N ATOM 435 CA LYS A 27 -7.163 11.479 -12.062 1.00 0.00 C ATOM 436 C LYS A 27 -6.070 10.842 -12.912 1.00 0.00 C ATOM 437 O LYS A 27 -5.763 11.295 -14.017 1.00 0.00 O ATOM 438 CB LYS A 27 -8.371 11.873 -12.913 1.00 0.00 C ATOM 439 CG LYS A 27 -9.587 12.224 -12.074 1.00 0.00 C ATOM 440 CD LYS A 27 -10.771 12.633 -12.927 1.00 0.00 C ATOM 441 CE LYS A 27 -11.972 12.987 -12.065 1.00 0.00 C ATOM 442 NZ LYS A 27 -12.509 11.803 -11.342 1.00 0.00 N ATOM 0 H LYS A 27 -6.717 12.496 -10.290 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.494 10.729 -11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.107 12.726 -13.539 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.622 11.051 -13.584 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.863 11.367 -11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.334 13.036 -11.393 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.499 13.488 -13.546 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.033 11.820 -13.604 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.687 13.753 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.755 13.414 -12.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.464 12.015 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.551 10.990 -11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.888 11.575 -10.540 1.00 0.00 H new ATOM 456 N ALA A 28 -5.487 9.783 -12.377 1.00 0.00 N ATOM 457 CA ALA A 28 -4.405 9.080 -13.037 1.00 0.00 C ATOM 458 C ALA A 28 -4.750 7.601 -13.181 1.00 0.00 C ATOM 459 O ALA A 28 -5.597 7.091 -12.446 1.00 0.00 O ATOM 460 CB ALA A 28 -3.115 9.261 -12.246 1.00 0.00 C ATOM 0 H ALA A 28 -5.751 9.388 -11.474 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.262 9.495 -14.035 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.304 8.731 -12.746 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.872 10.322 -12.185 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.245 8.860 -11.241 1.00 0.00 H new ATOM 466 N PRO A 29 -4.113 6.900 -14.139 1.00 0.00 N ATOM 467 CA PRO A 29 -4.337 5.466 -14.358 1.00 0.00 C ATOM 468 C PRO A 29 -4.176 4.646 -13.080 1.00 0.00 C ATOM 469 O PRO A 29 -3.337 4.960 -12.231 1.00 0.00 O ATOM 470 CB PRO A 29 -3.252 5.088 -15.367 1.00 0.00 C ATOM 471 CG PRO A 29 -2.957 6.350 -16.095 1.00 0.00 C ATOM 472 CD PRO A 29 -3.137 7.456 -15.095 1.00 0.00 C ATOM 0 HA PRO A 29 -5.352 5.264 -14.700 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.363 4.702 -14.867 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.598 4.310 -16.047 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.942 6.344 -16.491 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.630 6.478 -16.943 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.197 7.712 -14.606 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.510 8.366 -15.566 1.00 0.00 H new ATOM 480 N THR A 30 -4.977 3.594 -12.956 1.00 0.00 N ATOM 481 CA THR A 30 -4.967 2.744 -11.772 1.00 0.00 C ATOM 482 C THR A 30 -3.572 2.169 -11.513 1.00 0.00 C ATOM 483 O THR A 30 -3.079 2.189 -10.383 1.00 0.00 O ATOM 484 CB THR A 30 -5.968 1.583 -11.928 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.176 2.062 -12.534 1.00 0.00 O ATOM 486 CG2 THR A 30 -6.291 0.953 -10.579 1.00 0.00 C ATOM 0 H THR A 30 -5.648 3.308 -13.669 1.00 0.00 H new ATOM 0 HA THR A 30 -5.257 3.365 -10.925 1.00 0.00 H new ATOM 0 HB THR A 30 -5.512 0.824 -12.563 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.809 1.320 -12.633 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.000 0.137 -10.719 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.376 0.567 -10.130 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.729 1.705 -9.922 1.00 0.00 H new ATOM 494 N ASP A 31 -2.928 1.690 -12.572 1.00 0.00 N ATOM 495 CA ASP A 31 -1.616 1.061 -12.452 1.00 0.00 C ATOM 496 C ASP A 31 -0.540 2.099 -12.143 1.00 0.00 C ATOM 497 O ASP A 31 0.432 1.806 -11.443 1.00 0.00 O ATOM 498 CB ASP A 31 -1.268 0.292 -13.733 1.00 0.00 C ATOM 499 CG ASP A 31 -1.086 1.192 -14.937 1.00 0.00 C ATOM 500 OD1 ASP A 31 -2.062 1.874 -15.327 1.00 0.00 O ATOM 501 OD2 ASP A 31 0.032 1.216 -15.495 1.00 0.00 O ATOM 0 H ASP A 31 -3.293 1.725 -13.524 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.654 0.354 -11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.352 -0.277 -13.571 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.058 -0.429 -13.942 1.00 0.00 H new ATOM 506 N LEU A 32 -0.727 3.313 -12.650 1.00 0.00 N ATOM 507 CA LEU A 32 0.190 4.405 -12.355 1.00 0.00 C ATOM 508 C LEU A 32 0.037 4.826 -10.897 1.00 0.00 C ATOM 509 O LEU A 32 1.021 5.108 -10.218 1.00 0.00 O ATOM 510 CB LEU A 32 -0.055 5.594 -13.303 1.00 0.00 C ATOM 511 CG LEU A 32 0.893 6.792 -13.133 1.00 0.00 C ATOM 512 CD1 LEU A 32 1.093 7.510 -14.458 1.00 0.00 C ATOM 513 CD2 LEU A 32 0.350 7.770 -12.101 1.00 0.00 C ATOM 0 H LEU A 32 -1.502 3.564 -13.264 1.00 0.00 H new ATOM 0 HA LEU A 32 1.212 4.062 -12.514 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.022 5.237 -14.330 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.078 5.942 -13.162 1.00 0.00 H new ATOM 0 HG LEU A 32 1.853 6.409 -12.786 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.767 8.355 -14.316 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.523 6.820 -15.184 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.132 7.870 -14.825 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.038 8.609 -11.998 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.624 8.137 -12.425 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.247 7.265 -11.140 1.00 0.00 H new ATOM 525 N SER A 33 -1.201 4.844 -10.420 1.00 0.00 N ATOM 526 CA SER A 33 -1.484 5.182 -9.031 1.00 0.00 C ATOM 527 C SER A 33 -0.836 4.168 -8.089 1.00 0.00 C ATOM 528 O SER A 33 -0.345 4.526 -7.018 1.00 0.00 O ATOM 529 CB SER A 33 -2.994 5.239 -8.802 1.00 0.00 C ATOM 530 OG SER A 33 -3.601 6.175 -9.678 1.00 0.00 O ATOM 0 H SER A 33 -2.028 4.628 -10.977 1.00 0.00 H new ATOM 0 HA SER A 33 -1.061 6.164 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.428 4.252 -8.960 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.199 5.516 -7.768 1.00 0.00 H new ATOM 0 HG SER A 33 -3.556 5.839 -10.598 1.00 0.00 H new ATOM 536 N LEU A 34 -0.825 2.904 -8.506 1.00 0.00 N ATOM 537 CA LEU A 34 -0.152 1.854 -7.749 1.00 0.00 C ATOM 538 C LEU A 34 1.346 2.127 -7.681 1.00 0.00 C ATOM 539 O LEU A 34 1.981 1.914 -6.650 1.00 0.00 O ATOM 540 CB LEU A 34 -0.406 0.484 -8.384 1.00 0.00 C ATOM 541 CG LEU A 34 -1.862 0.016 -8.370 1.00 0.00 C ATOM 542 CD1 LEU A 34 -2.003 -1.306 -9.107 1.00 0.00 C ATOM 543 CD2 LEU A 34 -2.367 -0.116 -6.940 1.00 0.00 C ATOM 0 H LEU A 34 -1.275 2.583 -9.364 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.557 1.849 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.061 0.511 -9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.201 -0.257 -7.864 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.468 0.763 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.045 -1.624 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.681 -1.182 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.384 -2.061 -8.622 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.405 -0.450 -6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.757 -0.843 -6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.302 0.851 -6.440 1.00 0.00 H new ATOM 555 N MET A 35 1.899 2.614 -8.786 1.00 0.00 N ATOM 556 CA MET A 35 3.308 2.982 -8.848 1.00 0.00 C ATOM 557 C MET A 35 3.600 4.139 -7.895 1.00 0.00 C ATOM 558 O MET A 35 4.583 4.110 -7.154 1.00 0.00 O ATOM 559 CB MET A 35 3.688 3.370 -10.281 1.00 0.00 C ATOM 560 CG MET A 35 5.108 3.900 -10.424 1.00 0.00 C ATOM 561 SD MET A 35 5.491 4.398 -12.115 1.00 0.00 S ATOM 562 CE MET A 35 7.140 5.068 -11.908 1.00 0.00 C ATOM 0 H MET A 35 1.389 2.764 -9.656 1.00 0.00 H new ATOM 0 HA MET A 35 3.906 2.123 -8.544 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.570 2.499 -10.926 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.991 4.128 -10.638 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.243 4.752 -9.758 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.813 3.132 -10.106 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.514 5.418 -12.870 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.109 5.901 -11.206 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.802 4.293 -11.522 1.00 0.00 H new ATOM 572 N VAL A 36 2.731 5.146 -7.915 1.00 0.00 N ATOM 573 CA VAL A 36 2.874 6.311 -7.045 1.00 0.00 C ATOM 574 C VAL A 36 2.841 5.898 -5.576 1.00 0.00 C ATOM 575 O VAL A 36 3.780 6.167 -4.828 1.00 0.00 O ATOM 576 CB VAL A 36 1.762 7.351 -7.307 1.00 0.00 C ATOM 577 CG1 VAL A 36 1.897 8.544 -6.371 1.00 0.00 C ATOM 578 CG2 VAL A 36 1.792 7.808 -8.755 1.00 0.00 C ATOM 0 H VAL A 36 1.916 5.179 -8.527 1.00 0.00 H new ATOM 0 HA VAL A 36 3.839 6.765 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 36 0.802 6.874 -7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.102 9.260 -6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.822 8.206 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.864 9.021 -6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.002 8.540 -8.922 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.759 8.261 -8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.637 6.951 -9.410 1.00 0.00 H new ATOM 588 N LEU A 37 1.764 5.229 -5.179 1.00 0.00 N ATOM 589 CA LEU A 37 1.600 4.790 -3.797 1.00 0.00 C ATOM 590 C LEU A 37 2.703 3.813 -3.407 1.00 0.00 C ATOM 591 O LEU A 37 3.261 3.904 -2.318 1.00 0.00 O ATOM 592 CB LEU A 37 0.227 4.136 -3.603 1.00 0.00 C ATOM 593 CG LEU A 37 -0.972 5.057 -3.843 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.274 4.288 -3.684 1.00 0.00 C ATOM 595 CD2 LEU A 37 -0.933 6.243 -2.890 1.00 0.00 C ATOM 0 H LEU A 37 0.991 4.978 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 37 1.668 5.666 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.150 3.283 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.168 3.746 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.917 5.435 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.116 4.958 -3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.305 3.472 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.336 3.882 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.793 6.887 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.963 5.884 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.015 6.809 -3.050 1.00 0.00 H new ATOM 607 N GLY A 38 3.021 2.891 -4.311 1.00 0.00 N ATOM 608 CA GLY A 38 4.068 1.921 -4.051 1.00 0.00 C ATOM 609 C GLY A 38 5.402 2.579 -3.778 1.00 0.00 C ATOM 610 O GLY A 38 6.052 2.284 -2.775 1.00 0.00 O ATOM 0 H GLY A 38 2.570 2.799 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.787 1.306 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.163 1.253 -4.907 1.00 0.00 H new ATOM 614 N ASN A 39 5.803 3.480 -4.666 1.00 0.00 N ATOM 615 CA ASN A 39 7.043 4.233 -4.503 1.00 0.00 C ATOM 616 C ASN A 39 7.008 5.051 -3.215 1.00 0.00 C ATOM 617 O ASN A 39 7.957 5.036 -2.433 1.00 0.00 O ATOM 618 CB ASN A 39 7.262 5.151 -5.713 1.00 0.00 C ATOM 619 CG ASN A 39 8.416 6.120 -5.530 1.00 0.00 C ATOM 620 OD1 ASN A 39 8.228 7.251 -5.077 1.00 0.00 O ATOM 621 ND2 ASN A 39 9.616 5.689 -5.879 1.00 0.00 N ATOM 0 H ASN A 39 5.284 3.709 -5.513 1.00 0.00 H new ATOM 0 HA ASN A 39 7.873 3.529 -4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.447 4.539 -6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.349 5.716 -5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.427 6.299 -5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.731 4.746 -6.250 1.00 0.00 H new ATOM 628 N MET A 40 5.892 5.737 -3.000 1.00 0.00 N ATOM 629 CA MET A 40 5.698 6.570 -1.819 1.00 0.00 C ATOM 630 C MET A 40 5.861 5.751 -0.537 1.00 0.00 C ATOM 631 O MET A 40 6.632 6.122 0.351 1.00 0.00 O ATOM 632 CB MET A 40 4.310 7.223 -1.888 1.00 0.00 C ATOM 633 CG MET A 40 3.976 8.167 -0.741 1.00 0.00 C ATOM 634 SD MET A 40 3.396 7.311 0.734 1.00 0.00 S ATOM 635 CE MET A 40 2.780 8.694 1.686 1.00 0.00 C ATOM 0 H MET A 40 5.097 5.732 -3.639 1.00 0.00 H new ATOM 0 HA MET A 40 6.459 7.350 -1.800 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.233 7.775 -2.825 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.557 6.435 -1.919 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.861 8.751 -0.490 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.212 8.871 -1.069 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.898 8.485 2.749 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.341 9.592 1.428 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.725 8.849 1.462 1.00 0.00 H new ATOM 645 N VAL A 41 5.156 4.626 -0.457 1.00 0.00 N ATOM 646 CA VAL A 41 5.227 3.757 0.714 1.00 0.00 C ATOM 647 C VAL A 41 6.627 3.162 0.869 1.00 0.00 C ATOM 648 O VAL A 41 7.155 3.083 1.981 1.00 0.00 O ATOM 649 CB VAL A 41 4.176 2.621 0.643 1.00 0.00 C ATOM 650 CG1 VAL A 41 4.330 1.659 1.811 1.00 0.00 C ATOM 651 CG2 VAL A 41 2.769 3.200 0.623 1.00 0.00 C ATOM 0 H VAL A 41 4.529 4.294 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 41 5.007 4.373 1.586 1.00 0.00 H new ATOM 0 HB VAL A 41 4.343 2.066 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.580 0.872 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.325 1.215 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.196 2.200 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.042 2.389 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.602 3.781 1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.653 3.845 -0.248 1.00 0.00 H new ATOM 661 N THR A 42 7.233 2.766 -0.247 1.00 0.00 N ATOM 662 CA THR A 42 8.587 2.226 -0.229 1.00 0.00 C ATOM 663 C THR A 42 9.557 3.235 0.378 1.00 0.00 C ATOM 664 O THR A 42 10.315 2.909 1.293 1.00 0.00 O ATOM 665 CB THR A 42 9.070 1.843 -1.645 1.00 0.00 C ATOM 666 OG1 THR A 42 8.194 0.863 -2.220 1.00 0.00 O ATOM 667 CG2 THR A 42 10.487 1.291 -1.605 1.00 0.00 C ATOM 0 H THR A 42 6.808 2.809 -1.173 1.00 0.00 H new ATOM 0 HA THR A 42 8.564 1.324 0.383 1.00 0.00 H new ATOM 0 HB THR A 42 9.061 2.744 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.290 1.234 -2.292 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.804 1.029 -2.614 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.160 2.046 -1.198 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.514 0.403 -0.974 1.00 0.00 H new ATOM 675 N ASN A 43 9.513 4.467 -0.121 1.00 0.00 N ATOM 676 CA ASN A 43 10.377 5.524 0.386 1.00 0.00 C ATOM 677 C ASN A 43 10.094 5.774 1.858 1.00 0.00 C ATOM 678 O ASN A 43 11.017 5.858 2.669 1.00 0.00 O ATOM 679 CB ASN A 43 10.188 6.829 -0.398 1.00 0.00 C ATOM 680 CG ASN A 43 10.557 6.708 -1.865 1.00 0.00 C ATOM 681 OD1 ASN A 43 11.364 5.861 -2.254 1.00 0.00 O ATOM 682 ND2 ASN A 43 9.986 7.572 -2.689 1.00 0.00 N ATOM 0 H ASN A 43 8.889 4.756 -0.874 1.00 0.00 H new ATOM 0 HA ASN A 43 11.408 5.193 0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.148 7.146 -0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.796 7.610 0.059 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.209 7.552 -3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.323 8.258 -2.329 1.00 0.00 H new ATOM 689 N LEU A 44 8.814 5.872 2.199 1.00 0.00 N ATOM 690 CA LEU A 44 8.391 6.142 3.568 1.00 0.00 C ATOM 691 C LEU A 44 8.980 5.120 4.541 1.00 0.00 C ATOM 692 O LEU A 44 9.666 5.486 5.493 1.00 0.00 O ATOM 693 CB LEU A 44 6.863 6.134 3.663 1.00 0.00 C ATOM 694 CG LEU A 44 6.291 6.466 5.044 1.00 0.00 C ATOM 695 CD1 LEU A 44 6.649 7.889 5.446 1.00 0.00 C ATOM 696 CD2 LEU A 44 4.784 6.270 5.054 1.00 0.00 C ATOM 0 H LEU A 44 8.044 5.767 1.538 1.00 0.00 H new ATOM 0 HA LEU A 44 8.762 7.129 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.467 6.850 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.502 5.149 3.366 1.00 0.00 H new ATOM 0 HG LEU A 44 6.733 5.786 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.233 8.105 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.733 7.996 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.238 8.587 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.392 6.510 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.327 6.926 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.550 5.233 4.813 1.00 0.00 H new ATOM 708 N ILE A 45 8.731 3.845 4.279 1.00 0.00 N ATOM 709 CA ILE A 45 9.191 2.776 5.163 1.00 0.00 C ATOM 710 C ILE A 45 10.717 2.718 5.217 1.00 0.00 C ATOM 711 O ILE A 45 11.305 2.624 6.293 1.00 0.00 O ATOM 712 CB ILE A 45 8.644 1.399 4.717 1.00 0.00 C ATOM 713 CG1 ILE A 45 7.115 1.380 4.815 1.00 0.00 C ATOM 714 CG2 ILE A 45 9.247 0.276 5.558 1.00 0.00 C ATOM 715 CD1 ILE A 45 6.492 0.070 4.377 1.00 0.00 C ATOM 0 H ILE A 45 8.213 3.522 3.462 1.00 0.00 H new ATOM 0 HA ILE A 45 8.808 3.004 6.158 1.00 0.00 H new ATOM 0 HB ILE A 45 8.931 1.235 3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.823 1.584 5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.711 2.187 4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.847 -0.682 5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.331 0.277 5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.994 0.431 6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.408 0.132 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.752 -0.127 3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.867 -0.739 5.004 1.00 0.00 H new ATOM 727 N ASN A 46 11.352 2.816 4.058 1.00 0.00 N ATOM 728 CA ASN A 46 12.792 2.589 3.954 1.00 0.00 C ATOM 729 C ASN A 46 13.598 3.764 4.521 1.00 0.00 C ATOM 730 O ASN A 46 14.806 3.649 4.729 1.00 0.00 O ATOM 731 CB ASN A 46 13.175 2.345 2.491 1.00 0.00 C ATOM 732 CG ASN A 46 14.461 1.547 2.341 1.00 0.00 C ATOM 733 OD1 ASN A 46 14.799 0.720 3.187 1.00 0.00 O ATOM 734 ND2 ASN A 46 15.177 1.783 1.250 1.00 0.00 N ATOM 0 H ASN A 46 10.897 3.051 3.176 1.00 0.00 H new ATOM 0 HA ASN A 46 13.034 1.708 4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.364 1.815 1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.287 3.304 1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.044 1.270 1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.861 2.477 0.573 1.00 0.00 H new ATOM 741 N THR A 47 12.937 4.897 4.768 1.00 0.00 N ATOM 742 CA THR A 47 13.632 6.058 5.316 1.00 0.00 C ATOM 743 C THR A 47 13.147 6.419 6.724 1.00 0.00 C ATOM 744 O THR A 47 13.931 6.886 7.550 1.00 0.00 O ATOM 745 CB THR A 47 13.477 7.300 4.410 1.00 0.00 C ATOM 746 OG1 THR A 47 12.088 7.618 4.232 1.00 0.00 O ATOM 747 CG2 THR A 47 14.131 7.068 3.055 1.00 0.00 C ATOM 0 H THR A 47 11.940 5.033 4.600 1.00 0.00 H new ATOM 0 HA THR A 47 14.682 5.771 5.366 1.00 0.00 H new ATOM 0 HB THR A 47 13.976 8.138 4.898 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.674 6.956 3.639 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.009 7.956 2.435 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.193 6.866 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.660 6.216 2.565 1.00 0.00 H new ATOM 755 N SER A 48 11.864 6.211 6.997 1.00 0.00 N ATOM 756 CA SER A 48 11.277 6.662 8.257 1.00 0.00 C ATOM 757 C SER A 48 11.067 5.510 9.238 1.00 0.00 C ATOM 758 O SER A 48 10.543 5.707 10.335 1.00 0.00 O ATOM 759 CB SER A 48 9.953 7.375 7.984 1.00 0.00 C ATOM 760 OG SER A 48 10.132 8.425 7.048 1.00 0.00 O ATOM 0 H SER A 48 11.214 5.737 6.370 1.00 0.00 H new ATOM 0 HA SER A 48 11.978 7.356 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.222 6.662 7.602 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.551 7.776 8.915 1.00 0.00 H new ATOM 0 HG SER A 48 9.273 8.868 6.885 1.00 0.00 H new ATOM 766 N ILE A 49 11.464 4.313 8.845 1.00 0.00 N ATOM 767 CA ILE A 49 11.392 3.168 9.739 1.00 0.00 C ATOM 768 C ILE A 49 12.781 2.587 9.944 1.00 0.00 C ATOM 769 O ILE A 49 13.516 2.366 8.982 1.00 0.00 O ATOM 770 CB ILE A 49 10.434 2.074 9.208 1.00 0.00 C ATOM 771 CG1 ILE A 49 9.013 2.631 9.080 1.00 0.00 C ATOM 772 CG2 ILE A 49 10.445 0.856 10.126 1.00 0.00 C ATOM 773 CD1 ILE A 49 7.991 1.612 8.621 1.00 0.00 C ATOM 0 H ILE A 49 11.838 4.107 7.918 1.00 0.00 H new ATOM 0 HA ILE A 49 10.993 3.517 10.691 1.00 0.00 H new ATOM 0 HB ILE A 49 10.779 1.763 8.222 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.703 3.032 10.045 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.022 3.464 8.377 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.765 0.099 9.735 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.454 0.447 10.175 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.124 1.150 11.125 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.011 2.084 8.555 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.275 1.228 7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.951 0.790 9.335 1.00 0.00 H new ATOM 785 N ALA A 50 13.136 2.376 11.211 1.00 0.00 N ATOM 786 CA ALA A 50 14.436 1.824 11.579 1.00 0.00 C ATOM 787 C ALA A 50 14.758 0.570 10.771 1.00 0.00 C ATOM 788 O ALA A 50 13.938 -0.348 10.683 1.00 0.00 O ATOM 789 CB ALA A 50 14.467 1.516 13.070 1.00 0.00 C ATOM 0 H ALA A 50 12.532 2.582 12.007 1.00 0.00 H new ATOM 0 HA ALA A 50 15.198 2.570 11.351 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.441 1.104 13.336 1.00 0.00 H new ATOM 0 HB2 ALA A 50 14.294 2.432 13.634 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.689 0.791 13.308 1.00 0.00 H new ATOM 795 N PRO A 51 15.963 0.518 10.176 1.00 0.00 N ATOM 796 CA PRO A 51 16.396 -0.590 9.308 1.00 0.00 C ATOM 797 C PRO A 51 16.264 -1.963 9.965 1.00 0.00 C ATOM 798 O PRO A 51 16.164 -2.981 9.280 1.00 0.00 O ATOM 799 CB PRO A 51 17.865 -0.272 9.033 1.00 0.00 C ATOM 800 CG PRO A 51 17.965 1.203 9.194 1.00 0.00 C ATOM 801 CD PRO A 51 17.002 1.558 10.290 1.00 0.00 C ATOM 0 HA PRO A 51 15.777 -0.656 8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 51 18.521 -0.792 9.731 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.157 -0.582 8.030 1.00 0.00 H new ATOM 0 HG2 PRO A 51 18.981 1.501 9.454 1.00 0.00 H new ATOM 0 HG3 PRO A 51 17.710 1.716 8.267 1.00 0.00 H new ATOM 0 HD2 PRO A 51 17.482 1.542 11.268 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.588 2.557 10.154 1.00 0.00 H new ATOM 809 N ALA A 52 16.257 -1.982 11.289 1.00 0.00 N ATOM 810 CA ALA A 52 16.093 -3.219 12.038 1.00 0.00 C ATOM 811 C ALA A 52 14.717 -3.838 11.792 1.00 0.00 C ATOM 812 O ALA A 52 14.584 -5.050 11.648 1.00 0.00 O ATOM 813 CB ALA A 52 16.289 -2.955 13.521 1.00 0.00 C ATOM 0 H ALA A 52 16.364 -1.150 11.870 1.00 0.00 H new ATOM 0 HA ALA A 52 16.847 -3.927 11.694 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.165 -3.885 14.076 1.00 0.00 H new ATOM 0 HB2 ALA A 52 17.291 -2.562 13.691 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.552 -2.228 13.862 1.00 0.00 H new ATOM 819 N GLN A 53 13.701 -2.992 11.714 1.00 0.00 N ATOM 820 CA GLN A 53 12.326 -3.463 11.632 1.00 0.00 C ATOM 821 C GLN A 53 11.671 -3.102 10.300 1.00 0.00 C ATOM 822 O GLN A 53 10.521 -3.463 10.061 1.00 0.00 O ATOM 823 CB GLN A 53 11.515 -2.882 12.790 1.00 0.00 C ATOM 824 CG GLN A 53 11.663 -1.377 12.932 1.00 0.00 C ATOM 825 CD GLN A 53 10.883 -0.811 14.099 1.00 0.00 C ATOM 826 OE1 GLN A 53 10.652 -1.489 15.097 1.00 0.00 O ATOM 827 NE2 GLN A 53 10.484 0.443 13.985 1.00 0.00 N ATOM 0 H GLN A 53 13.802 -1.977 11.706 1.00 0.00 H new ATOM 0 HA GLN A 53 12.343 -4.551 11.699 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.462 -3.124 12.645 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.827 -3.360 13.719 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.718 -1.132 13.055 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.329 -0.897 12.012 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.697 0.971 13.139 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.963 0.883 14.743 1.00 0.00 H new ATOM 836 N ARG A 54 12.406 -2.407 9.430 1.00 0.00 N ATOM 837 CA ARG A 54 11.862 -1.976 8.138 1.00 0.00 C ATOM 838 C ARG A 54 11.301 -3.155 7.345 1.00 0.00 C ATOM 839 O ARG A 54 10.222 -3.066 6.762 1.00 0.00 O ATOM 840 CB ARG A 54 12.924 -1.251 7.298 1.00 0.00 C ATOM 841 CG ARG A 54 14.190 -2.064 7.068 1.00 0.00 C ATOM 842 CD ARG A 54 15.049 -1.484 5.955 1.00 0.00 C ATOM 843 NE ARG A 54 16.392 -2.070 5.937 1.00 0.00 N ATOM 844 CZ ARG A 54 16.689 -3.285 5.467 1.00 0.00 C ATOM 845 NH1 ARG A 54 15.749 -4.056 4.929 1.00 0.00 N ATOM 846 NH2 ARG A 54 17.934 -3.728 5.521 1.00 0.00 N ATOM 0 H ARG A 54 13.374 -2.131 9.594 1.00 0.00 H new ATOM 0 HA ARG A 54 11.050 -1.282 8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.492 -0.989 6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.189 -0.317 7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.769 -2.101 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.921 -3.091 6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.564 -1.658 4.994 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.126 -0.404 6.082 1.00 0.00 H new ATOM 0 HE ARG A 54 17.157 -1.509 6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.787 -3.722 4.871 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.990 -4.981 4.574 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.667 -3.142 5.921 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.161 -4.655 5.162 1.00 0.00 H new ATOM 860 N GLN A 55 12.026 -4.266 7.345 1.00 0.00 N ATOM 861 CA GLN A 55 11.630 -5.427 6.567 1.00 0.00 C ATOM 862 C GLN A 55 10.512 -6.181 7.271 1.00 0.00 C ATOM 863 O GLN A 55 9.602 -6.701 6.627 1.00 0.00 O ATOM 864 CB GLN A 55 12.828 -6.344 6.342 1.00 0.00 C ATOM 865 CG GLN A 55 12.630 -7.336 5.210 1.00 0.00 C ATOM 866 CD GLN A 55 13.842 -8.216 4.999 1.00 0.00 C ATOM 867 OE1 GLN A 55 14.547 -8.562 5.949 1.00 0.00 O ATOM 868 NE2 GLN A 55 14.106 -8.573 3.754 1.00 0.00 N ATOM 0 H GLN A 55 12.889 -4.385 7.875 1.00 0.00 H new ATOM 0 HA GLN A 55 11.262 -5.088 5.598 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.707 -5.735 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.034 -6.891 7.262 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.763 -7.961 5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.412 -6.795 4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.497 -8.266 2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.918 -9.156 3.552 1.00 0.00 H new ATOM 877 N ALA A 56 10.578 -6.218 8.597 1.00 0.00 N ATOM 878 CA ALA A 56 9.569 -6.897 9.396 1.00 0.00 C ATOM 879 C ALA A 56 8.209 -6.242 9.207 1.00 0.00 C ATOM 880 O ALA A 56 7.216 -6.919 8.935 1.00 0.00 O ATOM 881 CB ALA A 56 9.969 -6.890 10.864 1.00 0.00 C ATOM 0 H ALA A 56 11.323 -5.784 9.141 1.00 0.00 H new ATOM 0 HA ALA A 56 9.497 -7.932 9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.206 -7.401 11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.923 -7.403 10.984 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.065 -5.861 11.210 1.00 0.00 H new ATOM 887 N ILE A 57 8.179 -4.918 9.327 1.00 0.00 N ATOM 888 CA ILE A 57 6.953 -4.155 9.131 1.00 0.00 C ATOM 889 C ILE A 57 6.400 -4.381 7.727 1.00 0.00 C ATOM 890 O ILE A 57 5.215 -4.676 7.556 1.00 0.00 O ATOM 891 CB ILE A 57 7.181 -2.641 9.353 1.00 0.00 C ATOM 892 CG1 ILE A 57 7.644 -2.368 10.788 1.00 0.00 C ATOM 893 CG2 ILE A 57 5.916 -1.852 9.042 1.00 0.00 C ATOM 894 CD1 ILE A 57 6.647 -2.794 11.847 1.00 0.00 C ATOM 0 H ILE A 57 8.994 -4.350 9.560 1.00 0.00 H new ATOM 0 HA ILE A 57 6.233 -4.508 9.869 1.00 0.00 H new ATOM 0 HB ILE A 57 7.965 -2.313 8.670 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.586 -2.888 10.960 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.843 -1.302 10.898 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.100 -0.790 9.205 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.632 -2.015 8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.110 -2.185 9.695 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.047 -2.568 12.835 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.710 -2.255 11.703 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.465 -3.866 11.766 1.00 0.00 H new ATOM 906 N ALA A 58 7.272 -4.265 6.732 1.00 0.00 N ATOM 907 CA ALA A 58 6.879 -4.442 5.339 1.00 0.00 C ATOM 908 C ALA A 58 6.315 -5.840 5.096 1.00 0.00 C ATOM 909 O ALA A 58 5.367 -6.015 4.327 1.00 0.00 O ATOM 910 CB ALA A 58 8.064 -4.187 4.421 1.00 0.00 C ATOM 0 H ALA A 58 8.260 -4.048 6.865 1.00 0.00 H new ATOM 0 HA ALA A 58 6.094 -3.719 5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.757 -4.323 3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.422 -3.167 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.864 -4.888 4.657 1.00 0.00 H new ATOM 916 N ASN A 59 6.900 -6.834 5.753 1.00 0.00 N ATOM 917 CA ASN A 59 6.452 -8.212 5.603 1.00 0.00 C ATOM 918 C ASN A 59 5.069 -8.395 6.218 1.00 0.00 C ATOM 919 O ASN A 59 4.165 -8.939 5.579 1.00 0.00 O ATOM 920 CB ASN A 59 7.453 -9.183 6.240 1.00 0.00 C ATOM 921 CG ASN A 59 7.093 -10.637 5.988 1.00 0.00 C ATOM 922 OD1 ASN A 59 6.465 -10.971 4.982 1.00 0.00 O ATOM 923 ND2 ASN A 59 7.504 -11.515 6.888 1.00 0.00 N ATOM 0 H ASN A 59 7.684 -6.712 6.394 1.00 0.00 H new ATOM 0 HA ASN A 59 6.390 -8.435 4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.449 -8.985 5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.495 -9.003 7.314 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.303 -12.507 6.761 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.022 -11.200 7.708 1.00 0.00 H new ATOM 930 N SER A 60 4.897 -7.915 7.446 1.00 0.00 N ATOM 931 CA SER A 60 3.615 -8.018 8.132 1.00 0.00 C ATOM 932 C SER A 60 2.542 -7.199 7.414 1.00 0.00 C ATOM 933 O SER A 60 1.364 -7.555 7.430 1.00 0.00 O ATOM 934 CB SER A 60 3.756 -7.573 9.594 1.00 0.00 C ATOM 935 OG SER A 60 4.457 -6.343 9.701 1.00 0.00 O ATOM 0 H SER A 60 5.629 -7.452 7.985 1.00 0.00 H new ATOM 0 HA SER A 60 3.301 -9.062 8.118 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.767 -7.469 10.040 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.281 -8.342 10.160 1.00 0.00 H new ATOM 0 HG SER A 60 4.484 -5.905 8.825 1.00 0.00 H new ATOM 941 N PHE A 61 2.960 -6.116 6.765 1.00 0.00 N ATOM 942 CA PHE A 61 2.045 -5.268 6.012 1.00 0.00 C ATOM 943 C PHE A 61 1.421 -6.052 4.861 1.00 0.00 C ATOM 944 O PHE A 61 0.207 -6.014 4.655 1.00 0.00 O ATOM 945 CB PHE A 61 2.783 -4.035 5.481 1.00 0.00 C ATOM 946 CG PHE A 61 1.906 -3.066 4.737 1.00 0.00 C ATOM 947 CD1 PHE A 61 1.112 -2.163 5.424 1.00 0.00 C ATOM 948 CD2 PHE A 61 1.880 -3.056 3.351 1.00 0.00 C ATOM 949 CE1 PHE A 61 0.308 -1.268 4.744 1.00 0.00 C ATOM 950 CE2 PHE A 61 1.078 -2.164 2.665 1.00 0.00 C ATOM 951 CZ PHE A 61 0.292 -1.269 3.363 1.00 0.00 C ATOM 0 H PHE A 61 3.931 -5.805 6.746 1.00 0.00 H new ATOM 0 HA PHE A 61 1.247 -4.937 6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.250 -3.516 6.318 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.586 -4.362 4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.121 -2.158 6.504 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.494 -3.754 2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.307 -0.569 5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.066 -2.167 1.585 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.335 -0.570 2.829 1.00 0.00 H new ATOM 961 N ALA A 62 2.259 -6.776 4.127 1.00 0.00 N ATOM 962 CA ALA A 62 1.797 -7.596 3.015 1.00 0.00 C ATOM 963 C ALA A 62 0.867 -8.700 3.507 1.00 0.00 C ATOM 964 O ALA A 62 -0.168 -8.975 2.898 1.00 0.00 O ATOM 965 CB ALA A 62 2.984 -8.190 2.272 1.00 0.00 C ATOM 0 H ALA A 62 3.266 -6.811 4.284 1.00 0.00 H new ATOM 0 HA ALA A 62 1.236 -6.962 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.626 -8.801 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.611 -7.386 1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.567 -8.809 2.954 1.00 0.00 H new ATOM 971 N ARG A 63 1.237 -9.311 4.627 1.00 0.00 N ATOM 972 CA ARG A 63 0.445 -10.385 5.217 1.00 0.00 C ATOM 973 C ARG A 63 -0.926 -9.872 5.642 1.00 0.00 C ATOM 974 O ARG A 63 -1.942 -10.546 5.450 1.00 0.00 O ATOM 975 CB ARG A 63 1.179 -10.989 6.416 1.00 0.00 C ATOM 976 CG ARG A 63 2.542 -11.552 6.061 1.00 0.00 C ATOM 977 CD ARG A 63 2.428 -12.679 5.049 1.00 0.00 C ATOM 978 NE ARG A 63 3.652 -12.840 4.273 1.00 0.00 N ATOM 979 CZ ARG A 63 4.061 -13.989 3.739 1.00 0.00 C ATOM 980 NH1 ARG A 63 3.392 -15.114 3.971 1.00 0.00 N ATOM 981 NH2 ARG A 63 5.151 -14.009 2.988 1.00 0.00 N ATOM 0 H ARG A 63 2.084 -9.080 5.147 1.00 0.00 H new ATOM 0 HA ARG A 63 0.304 -11.161 4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.298 -10.224 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.567 -11.781 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.171 -10.759 5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.032 -11.919 6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.202 -13.611 5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.595 -12.479 4.375 1.00 0.00 H new ATOM 0 HE ARG A 63 4.235 -12.015 4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.560 -15.100 4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.711 -15.991 3.559 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.672 -13.148 2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.470 -14.886 2.576 1.00 0.00 H new ATOM 995 N ALA A 64 -0.949 -8.673 6.209 1.00 0.00 N ATOM 996 CA ALA A 64 -2.193 -8.050 6.629 1.00 0.00 C ATOM 997 C ALA A 64 -3.041 -7.672 5.421 1.00 0.00 C ATOM 998 O ALA A 64 -4.261 -7.815 5.445 1.00 0.00 O ATOM 999 CB ALA A 64 -1.911 -6.824 7.486 1.00 0.00 C ATOM 0 H ALA A 64 -0.116 -8.112 6.388 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.752 -8.770 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.853 -6.369 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.347 -7.120 8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.331 -6.103 6.910 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.382 -7.204 4.365 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.062 -6.798 3.138 1.00 0.00 C ATOM 1007 C LEU A 65 -3.884 -7.949 2.560 1.00 0.00 C ATOM 1008 O LEU A 65 -5.101 -7.833 2.388 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.035 -6.313 2.108 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.611 -5.870 0.760 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.528 -4.670 0.932 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.488 -5.546 -0.215 1.00 0.00 C ATOM 0 H LEU A 65 -1.368 -7.096 4.335 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.744 -5.982 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.481 -5.479 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.318 -7.114 1.931 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.200 -6.692 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.925 -4.373 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.351 -4.934 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.966 -3.841 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.913 -5.233 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.875 -4.741 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.871 -6.432 -0.366 1.00 0.00 H new ATOM 1024 N GLN A 66 -3.220 -9.066 2.289 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.881 -10.230 1.717 1.00 0.00 C ATOM 1026 C GLN A 66 -4.983 -10.741 2.645 1.00 0.00 C ATOM 1027 O GLN A 66 -6.036 -11.180 2.193 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.857 -11.338 1.451 1.00 0.00 C ATOM 1029 CG GLN A 66 -3.440 -12.563 0.761 1.00 0.00 C ATOM 1030 CD GLN A 66 -3.961 -12.270 -0.637 1.00 0.00 C ATOM 1031 OE1 GLN A 66 -3.328 -11.334 -1.327 1.00 0.00 O flip ATOM 1032 NE2 GLN A 66 -4.915 -12.895 -1.101 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.222 -9.189 2.457 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.340 -9.935 0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.052 -10.935 0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.412 -11.644 2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.675 -13.338 0.702 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.252 -12.962 1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.378 -13.610 -0.539 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.242 -12.698 -2.047 1.00 0.00 H new ATOM 1041 N SER A 67 -4.742 -10.653 3.949 1.00 0.00 N ATOM 1042 CA SER A 67 -5.702 -11.128 4.933 1.00 0.00 C ATOM 1043 C SER A 67 -6.859 -10.139 5.097 1.00 0.00 C ATOM 1044 O SER A 67 -7.876 -10.457 5.717 1.00 0.00 O ATOM 1045 CB SER A 67 -5.010 -11.365 6.278 1.00 0.00 C ATOM 1046 OG SER A 67 -5.878 -12.014 7.194 1.00 0.00 O ATOM 0 H SER A 67 -3.890 -10.257 4.346 1.00 0.00 H new ATOM 0 HA SER A 67 -6.113 -12.072 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.116 -11.971 6.128 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.683 -10.412 6.695 1.00 0.00 H new ATOM 0 HG SER A 67 -6.809 -11.832 6.947 1.00 0.00 H new ATOM 1052 N SER A 68 -6.706 -8.939 4.551 1.00 0.00 N ATOM 1053 CA SER A 68 -7.764 -7.942 4.601 1.00 0.00 C ATOM 1054 C SER A 68 -8.717 -8.123 3.427 1.00 0.00 C ATOM 1055 O SER A 68 -9.906 -7.825 3.529 1.00 0.00 O ATOM 1056 CB SER A 68 -7.179 -6.529 4.604 1.00 0.00 C ATOM 1057 OG SER A 68 -6.402 -6.312 5.770 1.00 0.00 O ATOM 0 H SER A 68 -5.860 -8.634 4.069 1.00 0.00 H new ATOM 0 HA SER A 68 -8.322 -8.080 5.527 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.562 -6.383 3.717 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.984 -5.796 4.556 1.00 0.00 H new ATOM 0 HG SER A 68 -5.589 -6.858 5.728 1.00 0.00 H new ATOM 1063 N ILE A 69 -8.195 -8.625 2.317 1.00 0.00 N ATOM 1064 CA ILE A 69 -9.026 -8.929 1.162 1.00 0.00 C ATOM 1065 C ILE A 69 -9.570 -10.355 1.275 1.00 0.00 C ATOM 1066 O ILE A 69 -9.023 -11.292 0.688 1.00 0.00 O ATOM 1067 CB ILE A 69 -8.241 -8.767 -0.162 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -7.583 -7.384 -0.221 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -9.165 -8.966 -1.357 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -6.737 -7.161 -1.458 1.00 0.00 C ATOM 0 H ILE A 69 -7.204 -8.830 2.192 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.854 -8.221 1.148 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.461 -9.527 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.360 -6.620 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.959 -7.251 0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.597 -8.849 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.596 -9.967 -1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -9.964 -8.225 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.305 -6.161 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.937 -7.901 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.359 -7.261 -2.347 1.00 0.00 H new ATOM 1442 N SER B 8 4.710 9.469 -16.833 1.00 0.00 N ATOM 1443 CA SER B 8 5.081 10.874 -16.716 1.00 0.00 C ATOM 1444 C SER B 8 5.822 11.145 -15.409 1.00 0.00 C ATOM 1445 O SER B 8 5.214 11.218 -14.338 1.00 0.00 O ATOM 1446 CB SER B 8 3.834 11.753 -16.806 1.00 0.00 C ATOM 1447 OG SER B 8 3.096 11.471 -17.982 1.00 0.00 O ATOM 0 HA SER B 8 5.753 11.116 -17.539 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.206 11.589 -15.930 1.00 0.00 H new ATOM 0 HB3 SER B 8 4.124 12.804 -16.798 1.00 0.00 H new ATOM 0 HG SER B 8 3.286 10.556 -18.276 1.00 0.00 H new ATOM 1453 N ASP B 9 7.139 11.285 -15.521 1.00 0.00 N ATOM 1454 CA ASP B 9 8.017 11.503 -14.375 1.00 0.00 C ATOM 1455 C ASP B 9 7.553 12.711 -13.576 1.00 0.00 C ATOM 1456 O ASP B 9 7.383 12.641 -12.362 1.00 0.00 O ATOM 1457 CB ASP B 9 9.451 11.728 -14.869 1.00 0.00 C ATOM 1458 CG ASP B 9 10.508 11.605 -13.784 1.00 0.00 C ATOM 1459 OD1 ASP B 9 10.338 12.179 -12.692 1.00 0.00 O ATOM 1460 OD2 ASP B 9 11.544 10.954 -14.043 1.00 0.00 O ATOM 0 H ASP B 9 7.631 11.250 -16.414 1.00 0.00 H new ATOM 0 HA ASP B 9 7.985 10.625 -13.730 1.00 0.00 H new ATOM 0 HB2 ASP B 9 9.669 11.008 -15.657 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.518 12.720 -15.316 1.00 0.00 H new ATOM 1465 N GLU B 10 7.297 13.800 -14.287 1.00 0.00 N ATOM 1466 CA GLU B 10 6.934 15.069 -13.669 1.00 0.00 C ATOM 1467 C GLU B 10 5.525 15.018 -13.080 1.00 0.00 C ATOM 1468 O GLU B 10 5.208 15.742 -12.132 1.00 0.00 O ATOM 1469 CB GLU B 10 7.046 16.176 -14.714 1.00 0.00 C ATOM 1470 CG GLU B 10 8.451 16.310 -15.283 1.00 0.00 C ATOM 1471 CD GLU B 10 8.489 17.072 -16.588 1.00 0.00 C ATOM 1472 OE1 GLU B 10 8.047 18.238 -16.618 1.00 0.00 O ATOM 1473 OE2 GLU B 10 8.977 16.511 -17.592 1.00 0.00 O ATOM 0 H GLU B 10 7.335 13.830 -15.306 1.00 0.00 H new ATOM 0 HA GLU B 10 7.617 15.273 -12.845 1.00 0.00 H new ATOM 0 HB2 GLU B 10 6.348 15.975 -15.526 1.00 0.00 H new ATOM 0 HB3 GLU B 10 6.749 17.124 -14.266 1.00 0.00 H new ATOM 0 HG2 GLU B 10 9.085 16.815 -14.555 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.871 15.316 -15.436 1.00 0.00 H new ATOM 1480 N GLN B 11 4.687 14.155 -13.637 1.00 0.00 N ATOM 1481 CA GLN B 11 3.330 13.975 -13.138 1.00 0.00 C ATOM 1482 C GLN B 11 3.352 13.159 -11.852 1.00 0.00 C ATOM 1483 O GLN B 11 2.722 13.527 -10.857 1.00 0.00 O ATOM 1484 CB GLN B 11 2.464 13.275 -14.187 1.00 0.00 C ATOM 1485 CG GLN B 11 1.019 13.062 -13.760 1.00 0.00 C ATOM 1486 CD GLN B 11 0.295 14.365 -13.494 1.00 0.00 C ATOM 1487 OE1 GLN B 11 -0.292 14.957 -14.400 1.00 0.00 O ATOM 1488 NE2 GLN B 11 0.326 14.825 -12.252 1.00 0.00 N ATOM 0 H GLN B 11 4.923 13.567 -14.436 1.00 0.00 H new ATOM 0 HA GLN B 11 2.902 14.956 -12.931 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.477 13.863 -15.104 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.908 12.308 -14.422 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.492 12.509 -14.537 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.996 12.447 -12.860 1.00 0.00 H new ATOM 0 HE21 GLN B 11 0.823 14.306 -11.528 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -0.147 15.698 -12.020 1.00 0.00 H new ATOM 1497 N VAL B 12 4.088 12.054 -11.884 1.00 0.00 N ATOM 1498 CA VAL B 12 4.258 11.207 -10.713 1.00 0.00 C ATOM 1499 C VAL B 12 4.993 11.972 -9.617 1.00 0.00 C ATOM 1500 O VAL B 12 4.608 11.918 -8.451 1.00 0.00 O ATOM 1501 CB VAL B 12 5.029 9.912 -11.066 1.00 0.00 C ATOM 1502 CG1 VAL B 12 5.349 9.097 -9.820 1.00 0.00 C ATOM 1503 CG2 VAL B 12 4.234 9.075 -12.056 1.00 0.00 C ATOM 0 H VAL B 12 4.579 11.724 -12.715 1.00 0.00 H new ATOM 0 HA VAL B 12 3.269 10.924 -10.353 1.00 0.00 H new ATOM 0 HB VAL B 12 5.973 10.202 -11.526 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.890 8.195 -10.104 1.00 0.00 H new ATOM 0 HG12 VAL B 12 5.964 9.691 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.422 8.821 -9.318 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.790 8.168 -12.294 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.273 8.807 -11.617 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.069 9.649 -12.968 1.00 0.00 H new ATOM 1513 N GLU B 13 6.028 12.708 -10.014 1.00 0.00 N ATOM 1514 CA GLU B 13 6.814 13.524 -9.093 1.00 0.00 C ATOM 1515 C GLU B 13 5.924 14.471 -8.297 1.00 0.00 C ATOM 1516 O GLU B 13 5.996 14.519 -7.067 1.00 0.00 O ATOM 1517 CB GLU B 13 7.857 14.327 -9.873 1.00 0.00 C ATOM 1518 CG GLU B 13 8.658 15.292 -9.020 1.00 0.00 C ATOM 1519 CD GLU B 13 9.636 16.105 -9.838 1.00 0.00 C ATOM 1520 OE1 GLU B 13 9.223 17.132 -10.415 1.00 0.00 O ATOM 1521 OE2 GLU B 13 10.822 15.722 -9.905 1.00 0.00 O ATOM 0 H GLU B 13 6.345 12.755 -10.982 1.00 0.00 H new ATOM 0 HA GLU B 13 7.314 12.857 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.543 13.635 -10.361 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.354 14.887 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.977 15.964 -8.499 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.201 14.734 -8.257 1.00 0.00 H new ATOM 1528 N GLN B 14 5.077 15.210 -9.005 1.00 0.00 N ATOM 1529 CA GLN B 14 4.185 16.161 -8.364 1.00 0.00 C ATOM 1530 C GLN B 14 3.235 15.446 -7.416 1.00 0.00 C ATOM 1531 O GLN B 14 3.027 15.886 -6.292 1.00 0.00 O ATOM 1532 CB GLN B 14 3.378 16.946 -9.399 1.00 0.00 C ATOM 1533 CG GLN B 14 2.489 18.009 -8.772 1.00 0.00 C ATOM 1534 CD GLN B 14 1.567 18.678 -9.766 1.00 0.00 C ATOM 1535 OE1 GLN B 14 1.884 18.799 -10.952 1.00 0.00 O ATOM 1536 NE2 GLN B 14 0.411 19.116 -9.289 1.00 0.00 N ATOM 0 H GLN B 14 4.992 15.167 -10.021 1.00 0.00 H new ATOM 0 HA GLN B 14 4.801 16.860 -7.798 1.00 0.00 H new ATOM 0 HB2 GLN B 14 4.062 17.420 -10.103 1.00 0.00 H new ATOM 0 HB3 GLN B 14 2.760 16.254 -9.972 1.00 0.00 H new ATOM 0 HG2 GLN B 14 1.892 17.554 -7.982 1.00 0.00 H new ATOM 0 HG3 GLN B 14 3.116 18.766 -8.301 1.00 0.00 H new ATOM 0 HE21 GLN B 14 0.188 18.995 -8.301 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -0.256 19.574 -9.910 1.00 0.00 H new ATOM 1545 N LEU B 15 2.677 14.331 -7.871 1.00 0.00 N ATOM 1546 CA LEU B 15 1.705 13.591 -7.079 1.00 0.00 C ATOM 1547 C LEU B 15 2.358 13.012 -5.825 1.00 0.00 C ATOM 1548 O LEU B 15 1.759 13.018 -4.751 1.00 0.00 O ATOM 1549 CB LEU B 15 1.065 12.479 -7.915 1.00 0.00 C ATOM 1550 CG LEU B 15 -0.159 11.808 -7.281 1.00 0.00 C ATOM 1551 CD1 LEU B 15 -1.243 12.835 -6.994 1.00 0.00 C ATOM 1552 CD2 LEU B 15 -0.698 10.713 -8.189 1.00 0.00 C ATOM 0 H LEU B 15 2.881 13.921 -8.782 1.00 0.00 H new ATOM 0 HA LEU B 15 0.921 14.282 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.773 12.894 -8.880 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.817 11.715 -8.111 1.00 0.00 H new ATOM 0 HG LEU B 15 0.150 11.357 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.104 12.340 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.858 13.588 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.546 13.314 -7.925 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.566 10.248 -7.722 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.988 11.145 -9.147 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.074 9.960 -8.349 1.00 0.00 H new ATOM 1564 N LEU B 16 3.589 12.524 -5.967 1.00 0.00 N ATOM 1565 CA LEU B 16 4.353 12.017 -4.830 1.00 0.00 C ATOM 1566 C LEU B 16 4.493 13.091 -3.760 1.00 0.00 C ATOM 1567 O LEU B 16 4.124 12.886 -2.601 1.00 0.00 O ATOM 1568 CB LEU B 16 5.746 11.559 -5.275 1.00 0.00 C ATOM 1569 CG LEU B 16 5.782 10.297 -6.137 1.00 0.00 C ATOM 1570 CD1 LEU B 16 7.189 10.055 -6.662 1.00 0.00 C ATOM 1571 CD2 LEU B 16 5.303 9.096 -5.337 1.00 0.00 C ATOM 0 H LEU B 16 4.079 12.469 -6.860 1.00 0.00 H new ATOM 0 HA LEU B 16 3.813 11.165 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU B 16 6.215 12.371 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU B 16 6.354 11.388 -4.386 1.00 0.00 H new ATOM 0 HG LEU B 16 5.113 10.438 -6.986 1.00 0.00 H new ATOM 0 HD11 LEU B 16 7.199 9.153 -7.274 1.00 0.00 H new ATOM 0 HD12 LEU B 16 7.504 10.906 -7.265 1.00 0.00 H new ATOM 0 HD13 LEU B 16 7.874 9.932 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU B 16 5.334 8.205 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU B 16 5.950 8.954 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU B 16 4.280 9.267 -5.001 1.00 0.00 H new ATOM 1583 N ALA B 17 5.013 14.242 -4.166 1.00 0.00 N ATOM 1584 CA ALA B 17 5.229 15.351 -3.250 1.00 0.00 C ATOM 1585 C ALA B 17 3.906 15.882 -2.710 1.00 0.00 C ATOM 1586 O ALA B 17 3.794 16.197 -1.529 1.00 0.00 O ATOM 1587 CB ALA B 17 6.004 16.463 -3.944 1.00 0.00 C ATOM 0 H ALA B 17 5.294 14.431 -5.128 1.00 0.00 H new ATOM 0 HA ALA B 17 5.815 14.986 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.159 17.287 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.970 16.081 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA B 17 5.439 16.817 -4.806 1.00 0.00 H new ATOM 1593 N GLU B 18 2.904 15.951 -3.576 1.00 0.00 N ATOM 1594 CA GLU B 18 1.607 16.509 -3.216 1.00 0.00 C ATOM 1595 C GLU B 18 0.901 15.629 -2.185 1.00 0.00 C ATOM 1596 O GLU B 18 0.408 16.128 -1.173 1.00 0.00 O ATOM 1597 CB GLU B 18 0.741 16.676 -4.466 1.00 0.00 C ATOM 1598 CG GLU B 18 -0.370 17.699 -4.311 1.00 0.00 C ATOM 1599 CD GLU B 18 -1.065 18.002 -5.623 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -0.384 18.428 -6.582 1.00 0.00 O ATOM 1601 OE2 GLU B 18 -2.293 17.810 -5.711 1.00 0.00 O ATOM 0 H GLU B 18 2.966 15.625 -4.540 1.00 0.00 H new ATOM 0 HA GLU B 18 1.766 17.489 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU B 18 1.378 16.969 -5.301 1.00 0.00 H new ATOM 0 HB3 GLU B 18 0.301 15.712 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -1.102 17.330 -3.592 1.00 0.00 H new ATOM 0 HG3 GLU B 18 0.043 18.620 -3.901 1.00 0.00 H new ATOM 1608 N LEU B 19 0.870 14.319 -2.434 1.00 0.00 N ATOM 1609 CA LEU B 19 0.250 13.382 -1.499 1.00 0.00 C ATOM 1610 C LEU B 19 0.969 13.411 -0.158 1.00 0.00 C ATOM 1611 O LEU B 19 0.335 13.457 0.899 1.00 0.00 O ATOM 1612 CB LEU B 19 0.264 11.957 -2.062 1.00 0.00 C ATOM 1613 CG LEU B 19 -0.640 11.720 -3.273 1.00 0.00 C ATOM 1614 CD1 LEU B 19 -0.476 10.299 -3.785 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -2.093 11.990 -2.916 1.00 0.00 C ATOM 0 H LEU B 19 1.264 13.886 -3.269 1.00 0.00 H new ATOM 0 HA LEU B 19 -0.785 13.691 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU B 19 1.287 11.704 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -0.031 11.269 -1.270 1.00 0.00 H new ATOM 0 HG LEU B 19 -0.346 12.411 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -1.126 10.146 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU B 19 0.561 10.135 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.746 9.595 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.721 11.816 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.400 11.323 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.202 13.025 -2.591 1.00 0.00 H new ATOM 1627 N LEU B 20 2.296 13.406 -0.210 1.00 0.00 N ATOM 1628 CA LEU B 20 3.104 13.460 0.998 1.00 0.00 C ATOM 1629 C LEU B 20 2.877 14.779 1.730 1.00 0.00 C ATOM 1630 O LEU B 20 2.806 14.813 2.954 1.00 0.00 O ATOM 1631 CB LEU B 20 4.588 13.292 0.655 1.00 0.00 C ATOM 1632 CG LEU B 20 5.535 13.249 1.857 1.00 0.00 C ATOM 1633 CD1 LEU B 20 5.220 12.054 2.746 1.00 0.00 C ATOM 1634 CD2 LEU B 20 6.982 13.201 1.391 1.00 0.00 C ATOM 0 H LEU B 20 2.833 13.365 -1.076 1.00 0.00 H new ATOM 0 HA LEU B 20 2.803 12.642 1.653 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.710 12.372 0.084 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.889 14.113 0.005 1.00 0.00 H new ATOM 0 HG LEU B 20 5.390 14.157 2.442 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.904 12.041 3.595 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.195 12.130 3.108 1.00 0.00 H new ATOM 0 HD13 LEU B 20 5.336 11.134 2.173 1.00 0.00 H new ATOM 0 HD21 LEU B 20 7.643 13.171 2.258 1.00 0.00 H new ATOM 0 HD22 LEU B 20 7.139 12.310 0.784 1.00 0.00 H new ATOM 0 HD23 LEU B 20 7.203 14.088 0.797 1.00 0.00 H new ATOM 1646 N ASN B 21 2.746 15.857 0.964 1.00 0.00 N ATOM 1647 CA ASN B 21 2.526 17.189 1.520 1.00 0.00 C ATOM 1648 C ASN B 21 1.196 17.265 2.264 1.00 0.00 C ATOM 1649 O ASN B 21 1.123 17.807 3.366 1.00 0.00 O ATOM 1650 CB ASN B 21 2.569 18.235 0.401 1.00 0.00 C ATOM 1651 CG ASN B 21 2.304 19.647 0.887 1.00 0.00 C ATOM 1652 OD1 ASN B 21 3.214 20.345 1.338 1.00 0.00 O ATOM 1653 ND2 ASN B 21 1.062 20.091 0.767 1.00 0.00 N ATOM 0 H ASN B 21 2.789 15.834 -0.055 1.00 0.00 H new ATOM 0 HA ASN B 21 3.322 17.396 2.236 1.00 0.00 H new ATOM 0 HB2 ASN B 21 3.546 18.202 -0.080 1.00 0.00 H new ATOM 0 HB3 ASN B 21 1.831 17.975 -0.358 1.00 0.00 H new ATOM 0 HD21 ASN B 21 0.831 21.042 1.053 1.00 0.00 H new ATOM 0 HD22 ASN B 21 0.337 19.482 0.389 1.00 0.00 H new ATOM 1660 N VAL B 22 0.147 16.711 1.662 1.00 0.00 N ATOM 1661 CA VAL B 22 -1.175 16.702 2.281 1.00 0.00 C ATOM 1662 C VAL B 22 -1.148 15.944 3.608 1.00 0.00 C ATOM 1663 O VAL B 22 -1.759 16.367 4.594 1.00 0.00 O ATOM 1664 CB VAL B 22 -2.233 16.079 1.342 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -3.588 15.980 2.028 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.348 16.890 0.061 1.00 0.00 C ATOM 0 H VAL B 22 0.187 16.263 0.747 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.452 17.739 2.471 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.907 15.069 1.092 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -4.311 15.538 1.343 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -3.501 15.355 2.917 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.923 16.976 2.317 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.097 16.438 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -2.645 17.911 0.302 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.385 16.903 -0.449 1.00 0.00 H new ATOM 1676 N LEU B 23 -0.421 14.834 3.632 1.00 0.00 N ATOM 1677 CA LEU B 23 -0.267 14.045 4.847 1.00 0.00 C ATOM 1678 C LEU B 23 0.614 14.800 5.844 1.00 0.00 C ATOM 1679 O LEU B 23 0.328 14.838 7.043 1.00 0.00 O ATOM 1680 CB LEU B 23 0.338 12.675 4.494 1.00 0.00 C ATOM 1681 CG LEU B 23 0.245 11.586 5.575 1.00 0.00 C ATOM 1682 CD1 LEU B 23 0.401 10.212 4.944 1.00 0.00 C ATOM 1683 CD2 LEU B 23 1.304 11.781 6.649 1.00 0.00 C ATOM 0 H LEU B 23 0.072 14.459 2.822 1.00 0.00 H new ATOM 0 HA LEU B 23 -1.240 13.882 5.311 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -0.155 12.306 3.594 1.00 0.00 H new ATOM 0 HB3 LEU B 23 1.389 12.820 4.245 1.00 0.00 H new ATOM 0 HG LEU B 23 -0.735 11.663 6.045 1.00 0.00 H new ATOM 0 HD11 LEU B 23 0.334 9.447 5.717 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -0.390 10.057 4.210 1.00 0.00 H new ATOM 0 HD13 LEU B 23 1.371 10.146 4.451 1.00 0.00 H new ATOM 0 HD21 LEU B 23 1.211 10.995 7.398 1.00 0.00 H new ATOM 0 HD22 LEU B 23 2.294 11.736 6.196 1.00 0.00 H new ATOM 0 HD23 LEU B 23 1.166 12.753 7.124 1.00 0.00 H new ATOM 1695 N GLU B 24 1.665 15.425 5.323 1.00 0.00 N ATOM 1696 CA GLU B 24 2.617 16.185 6.129 1.00 0.00 C ATOM 1697 C GLU B 24 1.905 17.296 6.900 1.00 0.00 C ATOM 1698 O GLU B 24 2.271 17.610 8.031 1.00 0.00 O ATOM 1699 CB GLU B 24 3.693 16.783 5.213 1.00 0.00 C ATOM 1700 CG GLU B 24 5.096 16.803 5.805 1.00 0.00 C ATOM 1701 CD GLU B 24 5.230 17.718 7.003 1.00 0.00 C ATOM 1702 OE1 GLU B 24 5.285 18.952 6.813 1.00 0.00 O ATOM 1703 OE2 GLU B 24 5.294 17.207 8.138 1.00 0.00 O ATOM 0 H GLU B 24 1.882 15.419 4.326 1.00 0.00 H new ATOM 0 HA GLU B 24 3.084 15.516 6.852 1.00 0.00 H new ATOM 0 HB2 GLU B 24 3.714 16.216 4.283 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.407 17.803 4.958 1.00 0.00 H new ATOM 0 HG2 GLU B 24 5.373 15.790 6.098 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.802 17.117 5.036 1.00 0.00 H new ATOM 1710 N LYS B 25 0.876 17.877 6.287 1.00 0.00 N ATOM 1711 CA LYS B 25 0.095 18.936 6.924 1.00 0.00 C ATOM 1712 C LYS B 25 -0.469 18.488 8.269 1.00 0.00 C ATOM 1713 O LYS B 25 -0.568 19.278 9.206 1.00 0.00 O ATOM 1714 CB LYS B 25 -1.052 19.382 6.018 1.00 0.00 C ATOM 1715 CG LYS B 25 -0.599 20.051 4.731 1.00 0.00 C ATOM 1716 CD LYS B 25 -1.782 20.552 3.918 1.00 0.00 C ATOM 1717 CE LYS B 25 -2.621 21.555 4.702 1.00 0.00 C ATOM 1718 NZ LYS B 25 -1.838 22.759 5.093 1.00 0.00 N ATOM 0 H LYS B 25 0.563 17.632 5.348 1.00 0.00 H new ATOM 0 HA LYS B 25 0.771 19.774 7.094 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -1.663 18.514 5.769 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.690 20.073 6.570 1.00 0.00 H new ATOM 0 HG2 LYS B 25 0.062 20.885 4.966 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -0.020 19.344 4.136 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -1.422 21.017 3.000 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -2.405 19.707 3.624 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.477 21.860 4.099 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -3.016 21.074 5.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -2.477 23.470 5.503 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -1.120 22.493 5.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -1.370 23.156 4.254 1.00 0.00 H new ATOM 1732 N HIS B 26 -0.828 17.217 8.367 1.00 0.00 N ATOM 1733 CA HIS B 26 -1.414 16.692 9.594 1.00 0.00 C ATOM 1734 C HIS B 26 -0.342 16.122 10.515 1.00 0.00 C ATOM 1735 O HIS B 26 -0.433 16.264 11.736 1.00 0.00 O ATOM 1736 CB HIS B 26 -2.460 15.618 9.284 1.00 0.00 C ATOM 1737 CG HIS B 26 -3.724 16.157 8.680 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -4.766 16.646 9.433 1.00 0.00 N ATOM 1739 CD2 HIS B 26 -4.113 16.274 7.389 1.00 0.00 C ATOM 1740 CE1 HIS B 26 -5.739 17.039 8.635 1.00 0.00 C ATOM 1741 NE2 HIS B 26 -5.371 16.826 7.388 1.00 0.00 N ATOM 0 H HIS B 26 -0.725 16.533 7.618 1.00 0.00 H new ATOM 0 HA HIS B 26 -1.904 17.522 10.104 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -2.025 14.888 8.602 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.706 15.088 10.204 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -3.540 15.986 6.520 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.680 17.464 8.951 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.928 17.036 6.559 1.00 0.00 H new ATOM 1750 N LYS B 27 0.686 15.515 9.914 1.00 0.00 N ATOM 1751 CA LYS B 27 1.729 14.796 10.651 1.00 0.00 C ATOM 1752 C LYS B 27 1.135 13.616 11.413 1.00 0.00 C ATOM 1753 O LYS B 27 0.669 13.755 12.543 1.00 0.00 O ATOM 1754 CB LYS B 27 2.488 15.723 11.608 1.00 0.00 C ATOM 1755 CG LYS B 27 3.241 16.842 10.906 1.00 0.00 C ATOM 1756 CD LYS B 27 3.925 17.761 11.902 1.00 0.00 C ATOM 1757 CE LYS B 27 4.558 18.957 11.210 1.00 0.00 C ATOM 1758 NZ LYS B 27 5.687 18.565 10.330 1.00 0.00 N ATOM 0 H LYS B 27 0.818 15.508 8.903 1.00 0.00 H new ATOM 0 HA LYS B 27 2.443 14.417 9.920 1.00 0.00 H new ATOM 0 HB2 LYS B 27 1.781 16.160 12.314 1.00 0.00 H new ATOM 0 HB3 LYS B 27 3.194 15.131 12.190 1.00 0.00 H new ATOM 0 HG2 LYS B 27 3.984 16.415 10.233 1.00 0.00 H new ATOM 0 HG3 LYS B 27 2.549 17.419 10.292 1.00 0.00 H new ATOM 0 HD2 LYS B 27 3.199 18.107 12.638 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.690 17.206 12.445 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.802 19.474 10.619 1.00 0.00 H new ATOM 0 HE3 LYS B 27 4.913 19.663 11.961 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 6.223 19.413 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 6.313 17.909 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 5.317 18.098 9.478 1.00 0.00 H new ATOM 1772 N ALA B 28 1.133 12.457 10.775 1.00 0.00 N ATOM 1773 CA ALA B 28 0.576 11.258 11.377 1.00 0.00 C ATOM 1774 C ALA B 28 1.678 10.256 11.688 1.00 0.00 C ATOM 1775 O ALA B 28 2.604 10.083 10.892 1.00 0.00 O ATOM 1776 CB ALA B 28 -0.464 10.640 10.454 1.00 0.00 C ATOM 0 H ALA B 28 1.512 12.322 9.838 1.00 0.00 H new ATOM 0 HA ALA B 28 0.090 11.532 12.313 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.874 9.742 10.917 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.267 11.356 10.279 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.002 10.378 9.504 1.00 0.00 H new ATOM 1782 N PRO B 29 1.600 9.597 12.860 1.00 0.00 N ATOM 1783 CA PRO B 29 2.566 8.570 13.265 1.00 0.00 C ATOM 1784 C PRO B 29 2.708 7.474 12.211 1.00 0.00 C ATOM 1785 O PRO B 29 1.750 7.152 11.513 1.00 0.00 O ATOM 1786 CB PRO B 29 1.980 7.999 14.566 1.00 0.00 C ATOM 1787 CG PRO B 29 0.578 8.507 14.635 1.00 0.00 C ATOM 1788 CD PRO B 29 0.569 9.806 13.884 1.00 0.00 C ATOM 0 HA PRO B 29 3.567 8.982 13.392 1.00 0.00 H new ATOM 0 HB2 PRO B 29 2.002 6.909 14.560 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.557 8.324 15.431 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.117 7.795 14.190 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.267 8.653 15.669 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.406 10.010 13.441 1.00 0.00 H new ATOM 0 HD3 PRO B 29 0.808 10.649 14.532 1.00 0.00 H new ATOM 1796 N THR B 30 3.906 6.912 12.107 1.00 0.00 N ATOM 1797 CA THR B 30 4.229 5.937 11.069 1.00 0.00 C ATOM 1798 C THR B 30 3.239 4.769 11.043 1.00 0.00 C ATOM 1799 O THR B 30 2.789 4.348 9.975 1.00 0.00 O ATOM 1800 CB THR B 30 5.655 5.393 11.273 1.00 0.00 C ATOM 1801 OG1 THR B 30 6.546 6.480 11.557 1.00 0.00 O ATOM 1802 CG2 THR B 30 6.137 4.652 10.037 1.00 0.00 C ATOM 0 H THR B 30 4.681 7.118 12.738 1.00 0.00 H new ATOM 0 HA THR B 30 4.161 6.456 10.113 1.00 0.00 H new ATOM 0 HB THR B 30 5.641 4.695 12.110 1.00 0.00 H new ATOM 0 HG1 THR B 30 7.453 6.134 11.689 1.00 0.00 H new ATOM 0 HG21 THR B 30 7.147 4.278 10.208 1.00 0.00 H new ATOM 0 HG22 THR B 30 5.470 3.815 9.831 1.00 0.00 H new ATOM 0 HG23 THR B 30 6.141 5.331 9.184 1.00 0.00 H new ATOM 1810 N ASP B 31 2.880 4.269 12.220 1.00 0.00 N ATOM 1811 CA ASP B 31 1.988 3.117 12.322 1.00 0.00 C ATOM 1812 C ASP B 31 0.575 3.484 11.875 1.00 0.00 C ATOM 1813 O ASP B 31 -0.112 2.681 11.239 1.00 0.00 O ATOM 1814 CB ASP B 31 1.974 2.566 13.755 1.00 0.00 C ATOM 1815 CG ASP B 31 1.399 3.537 14.771 1.00 0.00 C ATOM 1816 OD1 ASP B 31 1.828 4.711 14.790 1.00 0.00 O ATOM 1817 OD2 ASP B 31 0.517 3.124 15.557 1.00 0.00 O ATOM 0 H ASP B 31 3.192 4.642 13.117 1.00 0.00 H new ATOM 0 HA ASP B 31 2.364 2.338 11.659 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.393 1.644 13.776 1.00 0.00 H new ATOM 0 HB3 ASP B 31 2.992 2.308 14.047 1.00 0.00 H new ATOM 1822 N LEU B 32 0.155 4.703 12.190 1.00 0.00 N ATOM 1823 CA LEU B 32 -1.149 5.196 11.766 1.00 0.00 C ATOM 1824 C LEU B 32 -1.140 5.513 10.274 1.00 0.00 C ATOM 1825 O LEU B 32 -2.109 5.243 9.567 1.00 0.00 O ATOM 1826 CB LEU B 32 -1.542 6.442 12.565 1.00 0.00 C ATOM 1827 CG LEU B 32 -2.862 7.095 12.146 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -4.021 6.121 12.304 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -3.110 8.359 12.954 1.00 0.00 C ATOM 0 H LEU B 32 0.699 5.369 12.738 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.885 4.415 11.955 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.607 6.173 13.619 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -0.745 7.180 12.473 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.790 7.367 11.093 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -4.948 6.607 12.000 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.848 5.245 11.678 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.097 5.812 13.347 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.052 8.810 12.643 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.159 8.110 14.014 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.297 9.065 12.785 1.00 0.00 H new ATOM 1841 N SER B 33 -0.035 6.078 9.806 1.00 0.00 N ATOM 1842 CA SER B 33 0.124 6.420 8.401 1.00 0.00 C ATOM 1843 C SER B 33 -0.038 5.175 7.531 1.00 0.00 C ATOM 1844 O SER B 33 -0.821 5.170 6.580 1.00 0.00 O ATOM 1845 CB SER B 33 1.496 7.064 8.167 1.00 0.00 C ATOM 1846 OG SER B 33 1.632 7.523 6.833 1.00 0.00 O ATOM 0 H SER B 33 0.771 6.311 10.386 1.00 0.00 H new ATOM 0 HA SER B 33 -0.649 7.137 8.124 1.00 0.00 H new ATOM 0 HB2 SER B 33 1.630 7.898 8.856 1.00 0.00 H new ATOM 0 HB3 SER B 33 2.281 6.340 8.386 1.00 0.00 H new ATOM 0 HG SER B 33 2.516 7.930 6.716 1.00 0.00 H new ATOM 1852 N LEU B 34 0.678 4.110 7.887 1.00 0.00 N ATOM 1853 CA LEU B 34 0.595 2.849 7.156 1.00 0.00 C ATOM 1854 C LEU B 34 -0.795 2.236 7.290 1.00 0.00 C ATOM 1855 O LEU B 34 -1.275 1.561 6.381 1.00 0.00 O ATOM 1856 CB LEU B 34 1.658 1.867 7.657 1.00 0.00 C ATOM 1857 CG LEU B 34 3.106 2.316 7.446 1.00 0.00 C ATOM 1858 CD1 LEU B 34 4.068 1.283 8.007 1.00 0.00 C ATOM 1859 CD2 LEU B 34 3.384 2.553 5.971 1.00 0.00 C ATOM 0 H LEU B 34 1.322 4.096 8.678 1.00 0.00 H new ATOM 0 HA LEU B 34 0.780 3.056 6.102 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.499 1.695 8.721 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.513 0.911 7.154 1.00 0.00 H new ATOM 0 HG LEU B 34 3.255 3.255 7.979 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.093 1.617 7.849 1.00 0.00 H new ATOM 0 HD12 LEU B 34 3.887 1.159 9.075 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.915 0.330 7.500 1.00 0.00 H new ATOM 0 HD21 LEU B 34 4.418 2.871 5.842 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.217 1.630 5.416 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.716 3.328 5.595 1.00 0.00 H new ATOM 1871 N MET B 35 -1.440 2.483 8.423 1.00 0.00 N ATOM 1872 CA MET B 35 -2.800 2.009 8.651 1.00 0.00 C ATOM 1873 C MET B 35 -3.763 2.677 7.671 1.00 0.00 C ATOM 1874 O MET B 35 -4.602 2.012 7.057 1.00 0.00 O ATOM 1875 CB MET B 35 -3.227 2.294 10.095 1.00 0.00 C ATOM 1876 CG MET B 35 -4.612 1.776 10.443 1.00 0.00 C ATOM 1877 SD MET B 35 -5.069 2.125 12.153 1.00 0.00 S ATOM 1878 CE MET B 35 -6.693 1.372 12.230 1.00 0.00 C ATOM 0 H MET B 35 -1.042 3.010 9.200 1.00 0.00 H new ATOM 0 HA MET B 35 -2.827 0.932 8.487 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.501 1.845 10.773 1.00 0.00 H new ATOM 0 HB3 MET B 35 -3.199 3.370 10.266 1.00 0.00 H new ATOM 0 HG2 MET B 35 -5.344 2.229 9.775 1.00 0.00 H new ATOM 0 HG3 MET B 35 -4.648 0.700 10.273 1.00 0.00 H new ATOM 0 HE1 MET B 35 -7.109 1.505 13.229 1.00 0.00 H new ATOM 0 HE2 MET B 35 -7.348 1.845 11.499 1.00 0.00 H new ATOM 0 HE3 MET B 35 -6.611 0.308 12.009 1.00 0.00 H new ATOM 1888 N VAL B 36 -3.625 3.990 7.523 1.00 0.00 N ATOM 1889 CA VAL B 36 -4.454 4.752 6.597 1.00 0.00 C ATOM 1890 C VAL B 36 -4.125 4.389 5.152 1.00 0.00 C ATOM 1891 O VAL B 36 -5.011 4.015 4.381 1.00 0.00 O ATOM 1892 CB VAL B 36 -4.276 6.276 6.798 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -5.116 7.060 5.800 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -4.636 6.675 8.220 1.00 0.00 C ATOM 0 H VAL B 36 -2.944 4.551 8.035 1.00 0.00 H new ATOM 0 HA VAL B 36 -5.492 4.493 6.807 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.227 6.516 6.624 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -4.972 8.128 5.963 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.810 6.804 4.786 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -6.168 6.811 5.935 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -4.504 7.750 8.341 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -5.675 6.412 8.420 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -3.988 6.149 8.921 1.00 0.00 H new ATOM 1904 N LEU B 37 -2.846 4.480 4.801 1.00 0.00 N ATOM 1905 CA LEU B 37 -2.392 4.174 3.446 1.00 0.00 C ATOM 1906 C LEU B 37 -2.758 2.748 3.057 1.00 0.00 C ATOM 1907 O LEU B 37 -3.238 2.506 1.954 1.00 0.00 O ATOM 1908 CB LEU B 37 -0.877 4.367 3.330 1.00 0.00 C ATOM 1909 CG LEU B 37 -0.384 5.801 3.535 1.00 0.00 C ATOM 1910 CD1 LEU B 37 1.136 5.845 3.521 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -0.953 6.718 2.463 1.00 0.00 C ATOM 0 H LEU B 37 -2.102 4.764 5.438 1.00 0.00 H new ATOM 0 HA LEU B 37 -2.893 4.861 2.764 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -0.388 3.724 4.062 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -0.558 4.028 2.344 1.00 0.00 H new ATOM 0 HG LEU B 37 -0.732 6.151 4.507 1.00 0.00 H new ATOM 0 HD11 LEU B 37 1.472 6.872 3.668 1.00 0.00 H new ATOM 0 HD12 LEU B 37 1.526 5.218 4.323 1.00 0.00 H new ATOM 0 HD13 LEU B 37 1.502 5.477 2.562 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.592 7.734 2.624 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.634 6.371 1.480 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.042 6.707 2.515 1.00 0.00 H new ATOM 1923 N GLY B 38 -2.544 1.812 3.977 1.00 0.00 N ATOM 1924 CA GLY B 38 -2.870 0.422 3.721 1.00 0.00 C ATOM 1925 C GLY B 38 -4.337 0.226 3.397 1.00 0.00 C ATOM 1926 O GLY B 38 -4.679 -0.473 2.445 1.00 0.00 O ATOM 0 H GLY B 38 -2.149 1.994 4.899 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.265 0.056 2.892 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.610 -0.177 4.594 1.00 0.00 H new ATOM 1930 N ASN B 39 -5.203 0.861 4.181 1.00 0.00 N ATOM 1931 CA ASN B 39 -6.644 0.787 3.956 1.00 0.00 C ATOM 1932 C ASN B 39 -6.989 1.400 2.602 1.00 0.00 C ATOM 1933 O ASN B 39 -7.745 0.825 1.819 1.00 0.00 O ATOM 1934 CB ASN B 39 -7.394 1.517 5.077 1.00 0.00 C ATOM 1935 CG ASN B 39 -8.902 1.370 4.981 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -9.577 2.168 4.335 1.00 0.00 O ATOM 1937 ND2 ASN B 39 -9.443 0.354 5.638 1.00 0.00 N ATOM 0 H ASN B 39 -4.932 1.434 4.980 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.950 -0.259 3.959 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.058 1.133 6.040 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.136 2.576 5.049 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -10.453 0.214 5.618 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.849 -0.288 6.163 1.00 0.00 H new ATOM 1944 N MET B 40 -6.389 2.555 2.330 1.00 0.00 N ATOM 1945 CA MET B 40 -6.583 3.267 1.070 1.00 0.00 C ATOM 1946 C MET B 40 -6.177 2.397 -0.124 1.00 0.00 C ATOM 1947 O MET B 40 -6.923 2.274 -1.098 1.00 0.00 O ATOM 1948 CB MET B 40 -5.764 4.560 1.089 1.00 0.00 C ATOM 1949 CG MET B 40 -5.811 5.352 -0.207 1.00 0.00 C ATOM 1950 SD MET B 40 -4.787 6.834 -0.139 1.00 0.00 S ATOM 1951 CE MET B 40 -4.948 7.432 -1.815 1.00 0.00 C ATOM 0 H MET B 40 -5.755 3.024 2.976 1.00 0.00 H new ATOM 0 HA MET B 40 -7.641 3.506 0.961 1.00 0.00 H new ATOM 0 HB2 MET B 40 -6.125 5.192 1.900 1.00 0.00 H new ATOM 0 HB3 MET B 40 -4.726 4.315 1.313 1.00 0.00 H new ATOM 0 HG2 MET B 40 -5.477 4.719 -1.029 1.00 0.00 H new ATOM 0 HG3 MET B 40 -6.842 5.635 -0.421 1.00 0.00 H new ATOM 0 HE1 MET B 40 -4.369 8.348 -1.932 1.00 0.00 H new ATOM 0 HE2 MET B 40 -4.577 6.677 -2.508 1.00 0.00 H new ATOM 0 HE3 MET B 40 -5.997 7.636 -2.029 1.00 0.00 H new ATOM 1961 N VAL B 41 -4.993 1.794 -0.038 1.00 0.00 N ATOM 1962 CA VAL B 41 -4.505 0.910 -1.092 1.00 0.00 C ATOM 1963 C VAL B 41 -5.420 -0.304 -1.241 1.00 0.00 C ATOM 1964 O VAL B 41 -5.728 -0.726 -2.358 1.00 0.00 O ATOM 1965 CB VAL B 41 -3.055 0.440 -0.824 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -2.593 -0.549 -1.886 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -2.106 1.629 -0.771 1.00 0.00 C ATOM 0 H VAL B 41 -4.355 1.902 0.750 1.00 0.00 H new ATOM 0 HA VAL B 41 -4.509 1.483 -2.019 1.00 0.00 H new ATOM 0 HB VAL B 41 -3.043 -0.064 0.143 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -1.571 -0.862 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.248 -1.420 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -2.629 -0.074 -2.866 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -1.092 1.277 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -2.134 2.160 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -2.411 2.303 0.029 1.00 0.00 H new ATOM 1977 N THR B 42 -5.865 -0.844 -0.111 1.00 0.00 N ATOM 1978 CA THR B 42 -6.784 -1.973 -0.114 1.00 0.00 C ATOM 1979 C THR B 42 -8.054 -1.624 -0.886 1.00 0.00 C ATOM 1980 O THR B 42 -8.495 -2.389 -1.738 1.00 0.00 O ATOM 1981 CB THR B 42 -7.157 -2.409 1.321 1.00 0.00 C ATOM 1982 OG1 THR B 42 -5.975 -2.752 2.052 1.00 0.00 O ATOM 1983 CG2 THR B 42 -8.102 -3.604 1.305 1.00 0.00 C ATOM 0 H THR B 42 -5.603 -0.516 0.819 1.00 0.00 H new ATOM 0 HA THR B 42 -6.275 -2.804 -0.603 1.00 0.00 H new ATOM 0 HB THR B 42 -7.661 -1.572 1.804 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.451 -1.942 2.226 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.347 -3.888 2.328 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.016 -3.338 0.774 1.00 0.00 H new ATOM 0 HG23 THR B 42 -7.620 -4.442 0.801 1.00 0.00 H new ATOM 1991 N ASN B 43 -8.618 -0.454 -0.603 1.00 0.00 N ATOM 1992 CA ASN B 43 -9.826 0.000 -1.289 1.00 0.00 C ATOM 1993 C ASN B 43 -9.596 0.079 -2.792 1.00 0.00 C ATOM 1994 O ASN B 43 -10.397 -0.431 -3.579 1.00 0.00 O ATOM 1995 CB ASN B 43 -10.277 1.372 -0.778 1.00 0.00 C ATOM 1996 CG ASN B 43 -10.745 1.362 0.664 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -11.274 0.236 1.121 1.00 0.00 O flip ATOM 1998 ND2 ASN B 43 -10.639 2.367 1.362 1.00 0.00 N flip ATOM 0 H ASN B 43 -8.260 0.197 0.095 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.608 -0.729 -1.078 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.451 2.076 -0.878 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -11.086 1.738 -1.411 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -10.226 3.216 0.975 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -10.964 2.353 2.329 1.00 0.00 H new ATOM 2005 N LEU B 44 -8.489 0.708 -3.176 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.147 0.888 -4.581 1.00 0.00 C ATOM 2007 C LEU B 44 -8.108 -0.453 -5.311 1.00 0.00 C ATOM 2008 O LEU B 44 -8.785 -0.638 -6.321 1.00 0.00 O ATOM 2009 CB LEU B 44 -6.794 1.596 -4.708 1.00 0.00 C ATOM 2010 CG LEU B 44 -6.364 1.938 -6.137 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -7.336 2.925 -6.768 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -4.951 2.503 -6.147 1.00 0.00 C ATOM 0 H LEU B 44 -7.809 1.104 -2.527 1.00 0.00 H new ATOM 0 HA LEU B 44 -8.918 1.505 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -6.829 2.517 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.029 0.964 -4.258 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.374 1.021 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.013 3.155 -7.783 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.333 2.486 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.359 3.841 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.661 2.741 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -4.917 3.408 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.261 1.765 -5.737 1.00 0.00 H new ATOM 2024 N ILE B 45 -7.339 -1.391 -4.781 1.00 0.00 N ATOM 2025 CA ILE B 45 -7.186 -2.695 -5.414 1.00 0.00 C ATOM 2026 C ILE B 45 -8.483 -3.503 -5.341 1.00 0.00 C ATOM 2027 O ILE B 45 -8.836 -4.216 -6.280 1.00 0.00 O ATOM 2028 CB ILE B 45 -6.037 -3.500 -4.762 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -4.722 -2.720 -4.856 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -5.891 -4.866 -5.422 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -3.547 -3.421 -4.209 1.00 0.00 C ATOM 0 H ILE B 45 -6.811 -1.276 -3.916 1.00 0.00 H new ATOM 0 HA ILE B 45 -6.942 -2.517 -6.461 1.00 0.00 H new ATOM 0 HB ILE B 45 -6.280 -3.653 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -4.492 -2.540 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -4.855 -1.745 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -5.077 -5.414 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.820 -5.426 -5.310 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -5.672 -4.736 -6.482 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.653 -2.807 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -3.755 -3.577 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.386 -4.384 -4.693 1.00 0.00 H new ATOM 2043 N ASN B 46 -9.205 -3.362 -4.238 1.00 0.00 N ATOM 2044 CA ASN B 46 -10.371 -4.197 -3.979 1.00 0.00 C ATOM 2045 C ASN B 46 -11.561 -3.825 -4.863 1.00 0.00 C ATOM 2046 O ASN B 46 -12.267 -4.707 -5.345 1.00 0.00 O ATOM 2047 CB ASN B 46 -10.774 -4.118 -2.504 1.00 0.00 C ATOM 2048 CG ASN B 46 -11.668 -5.270 -2.080 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -11.180 -6.338 -1.706 1.00 0.00 O ATOM 2050 ND2 ASN B 46 -12.972 -5.070 -2.120 1.00 0.00 N ATOM 0 H ASN B 46 -9.005 -2.678 -3.508 1.00 0.00 H new ATOM 0 HA ASN B 46 -10.086 -5.220 -4.223 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -9.876 -4.113 -1.886 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -11.291 -3.176 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -13.611 -5.813 -1.836 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.341 -4.173 -2.435 1.00 0.00 H new ATOM 2057 N THR B 47 -11.797 -2.534 -5.080 1.00 0.00 N ATOM 2058 CA THR B 47 -12.979 -2.129 -5.836 1.00 0.00 C ATOM 2059 C THR B 47 -12.630 -1.511 -7.195 1.00 0.00 C ATOM 2060 O THR B 47 -13.340 -1.733 -8.173 1.00 0.00 O ATOM 2061 CB THR B 47 -13.882 -1.162 -5.024 1.00 0.00 C ATOM 2062 OG1 THR B 47 -15.149 -0.997 -5.679 1.00 0.00 O ATOM 2063 CG2 THR B 47 -13.231 0.203 -4.840 1.00 0.00 C ATOM 0 H THR B 47 -11.205 -1.770 -4.754 1.00 0.00 H new ATOM 0 HA THR B 47 -13.537 -3.046 -6.025 1.00 0.00 H new ATOM 0 HB THR B 47 -14.027 -1.607 -4.040 1.00 0.00 H new ATOM 0 HG1 THR B 47 -15.710 -0.386 -5.157 1.00 0.00 H new ATOM 0 HG21 THR B 47 -13.896 0.849 -4.267 1.00 0.00 H new ATOM 0 HG22 THR B 47 -12.288 0.087 -4.306 1.00 0.00 H new ATOM 0 HG23 THR B 47 -13.043 0.651 -5.816 1.00 0.00 H new ATOM 2071 N SER B 48 -11.533 -0.763 -7.277 1.00 0.00 N ATOM 2072 CA SER B 48 -11.202 -0.053 -8.509 1.00 0.00 C ATOM 2073 C SER B 48 -10.550 -0.999 -9.516 1.00 0.00 C ATOM 2074 O SER B 48 -10.363 -0.654 -10.686 1.00 0.00 O ATOM 2075 CB SER B 48 -10.286 1.139 -8.213 1.00 0.00 C ATOM 2076 OG SER B 48 -10.125 1.969 -9.351 1.00 0.00 O ATOM 0 H SER B 48 -10.866 -0.633 -6.516 1.00 0.00 H new ATOM 0 HA SER B 48 -12.126 0.326 -8.946 1.00 0.00 H new ATOM 0 HB2 SER B 48 -10.702 1.723 -7.392 1.00 0.00 H new ATOM 0 HB3 SER B 48 -9.312 0.777 -7.885 1.00 0.00 H new ATOM 0 HG SER B 48 -10.224 1.432 -10.164 1.00 0.00 H new ATOM 2082 N ILE B 49 -10.207 -2.190 -9.054 1.00 0.00 N ATOM 2083 CA ILE B 49 -9.654 -3.216 -9.919 1.00 0.00 C ATOM 2084 C ILE B 49 -10.608 -4.412 -9.959 1.00 0.00 C ATOM 2085 O ILE B 49 -11.469 -4.548 -9.083 1.00 0.00 O ATOM 2086 CB ILE B 49 -8.249 -3.659 -9.439 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -7.357 -2.433 -9.212 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -7.600 -4.594 -10.451 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -5.955 -2.768 -8.749 1.00 0.00 C ATOM 0 H ILE B 49 -10.303 -2.470 -8.078 1.00 0.00 H new ATOM 0 HA ILE B 49 -9.543 -2.805 -10.922 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.364 -4.196 -8.498 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -7.296 -1.864 -10.140 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -7.828 -1.786 -8.472 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -6.615 -4.891 -10.092 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.222 -5.480 -10.579 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.498 -4.081 -11.407 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -5.388 -1.848 -8.611 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -6.003 -3.309 -7.804 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -5.463 -3.389 -9.498 1.00 0.00 H new ATOM 2101 N ALA B 50 -10.476 -5.248 -10.987 1.00 0.00 N ATOM 2102 CA ALA B 50 -11.336 -6.416 -11.158 1.00 0.00 C ATOM 2103 C ALA B 50 -11.312 -7.317 -9.921 1.00 0.00 C ATOM 2104 O ALA B 50 -10.244 -7.684 -9.426 1.00 0.00 O ATOM 2105 CB ALA B 50 -10.915 -7.194 -12.392 1.00 0.00 C ATOM 0 H ALA B 50 -9.775 -5.136 -11.720 1.00 0.00 H new ATOM 0 HA ALA B 50 -12.360 -6.066 -11.289 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.561 -8.063 -12.512 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.999 -6.555 -13.271 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.882 -7.523 -12.280 1.00 0.00 H new ATOM 2111 N PRO B 51 -12.503 -7.684 -9.424 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.664 -8.432 -8.169 1.00 0.00 C ATOM 2113 C PRO B 51 -11.834 -9.715 -8.095 1.00 0.00 C ATOM 2114 O PRO B 51 -11.009 -9.874 -7.197 1.00 0.00 O ATOM 2115 CB PRO B 51 -14.157 -8.770 -8.144 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.798 -7.718 -8.978 1.00 0.00 C ATOM 2117 CD PRO B 51 -13.806 -7.387 -10.053 1.00 0.00 C ATOM 0 HA PRO B 51 -12.317 -7.841 -7.322 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -14.344 -9.765 -8.549 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -14.548 -8.761 -7.126 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -15.734 -8.076 -9.407 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -15.036 -6.837 -8.381 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -13.967 -7.990 -10.947 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -13.876 -6.342 -10.356 1.00 0.00 H new ATOM 2125 N ALA B 52 -12.032 -10.615 -9.046 1.00 0.00 N ATOM 2126 CA ALA B 52 -11.461 -11.957 -8.957 1.00 0.00 C ATOM 2127 C ALA B 52 -9.933 -11.946 -8.933 1.00 0.00 C ATOM 2128 O ALA B 52 -9.312 -12.809 -8.315 1.00 0.00 O ATOM 2129 CB ALA B 52 -11.963 -12.818 -10.103 1.00 0.00 C ATOM 0 H ALA B 52 -12.582 -10.444 -9.888 1.00 0.00 H new ATOM 0 HA ALA B 52 -11.791 -12.382 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -11.530 -13.815 -10.025 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -13.050 -12.889 -10.056 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.670 -12.368 -11.052 1.00 0.00 H new ATOM 2135 N GLN B 53 -9.326 -10.960 -9.578 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.875 -10.935 -9.722 1.00 0.00 C ATOM 2137 C GLN B 53 -7.219 -9.959 -8.747 1.00 0.00 C ATOM 2138 O GLN B 53 -5.996 -9.813 -8.738 1.00 0.00 O ATOM 2139 CB GLN B 53 -7.495 -10.569 -11.157 1.00 0.00 C ATOM 2140 CG GLN B 53 -7.990 -9.198 -11.585 1.00 0.00 C ATOM 2141 CD GLN B 53 -7.703 -8.902 -13.040 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -6.652 -8.362 -13.383 1.00 0.00 O ATOM 2143 NE2 GLN B 53 -8.638 -9.256 -13.908 1.00 0.00 N ATOM 0 H GLN B 53 -9.810 -10.172 -10.008 1.00 0.00 H new ATOM 0 HA GLN B 53 -7.507 -11.934 -9.488 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.410 -10.602 -11.257 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.900 -11.321 -11.835 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -9.064 -9.133 -11.410 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.519 -8.436 -10.964 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.495 -9.702 -13.581 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.501 -9.083 -14.904 1.00 0.00 H new ATOM 2152 N ARG B 54 -8.022 -9.308 -7.910 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.497 -8.289 -7.001 1.00 0.00 C ATOM 2154 C ARG B 54 -6.577 -8.913 -5.952 1.00 0.00 C ATOM 2155 O ARG B 54 -5.644 -8.270 -5.478 1.00 0.00 O ATOM 2156 CB ARG B 54 -8.636 -7.496 -6.340 1.00 0.00 C ATOM 2157 CG ARG B 54 -9.393 -8.234 -5.245 1.00 0.00 C ATOM 2158 CD ARG B 54 -10.749 -7.585 -5.005 1.00 0.00 C ATOM 2159 NE ARG B 54 -11.435 -8.093 -3.815 1.00 0.00 N ATOM 2160 CZ ARG B 54 -12.100 -9.247 -3.754 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -12.049 -10.108 -4.763 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -12.809 -9.541 -2.673 1.00 0.00 N ATOM 0 H ARG B 54 -9.028 -9.464 -7.841 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.905 -7.588 -7.590 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -8.222 -6.580 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -9.345 -7.199 -7.112 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.528 -9.278 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.811 -8.226 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.615 -6.508 -4.906 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -11.381 -7.749 -5.878 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.402 -7.522 -2.971 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.498 -9.889 -5.593 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -12.561 -10.989 -4.708 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -12.844 -8.885 -1.892 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.319 -10.423 -2.622 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.825 -10.176 -5.615 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.971 -10.893 -4.671 1.00 0.00 C ATOM 2178 C GLN B 55 -4.600 -11.170 -5.280 1.00 0.00 C ATOM 2179 O GLN B 55 -3.578 -11.076 -4.600 1.00 0.00 O ATOM 2180 CB GLN B 55 -6.626 -12.205 -4.233 1.00 0.00 C ATOM 2181 CG GLN B 55 -7.647 -12.033 -3.119 1.00 0.00 C ATOM 2182 CD GLN B 55 -8.299 -13.342 -2.712 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -8.496 -14.238 -3.533 1.00 0.00 O ATOM 2184 NE2 GLN B 55 -8.622 -13.470 -1.433 1.00 0.00 N ATOM 0 H GLN B 55 -7.606 -10.722 -5.979 1.00 0.00 H new ATOM 0 HA GLN B 55 -5.839 -10.260 -3.794 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -7.113 -12.663 -5.094 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -5.851 -12.895 -3.901 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -7.159 -11.590 -2.251 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -8.418 -11.334 -3.443 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -8.443 -12.705 -0.783 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -9.050 -14.334 -1.099 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.588 -11.490 -6.569 1.00 0.00 N ATOM 2194 CA ALA B 56 -3.349 -11.788 -7.273 1.00 0.00 C ATOM 2195 C ALA B 56 -2.518 -10.528 -7.463 1.00 0.00 C ATOM 2196 O ALA B 56 -1.312 -10.523 -7.218 1.00 0.00 O ATOM 2197 CB ALA B 56 -3.647 -12.431 -8.617 1.00 0.00 C ATOM 0 H ALA B 56 -5.426 -11.549 -7.148 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.773 -12.489 -6.669 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -2.711 -12.648 -9.132 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -4.200 -13.358 -8.462 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.244 -11.749 -9.222 1.00 0.00 H new ATOM 2203 N ILE B 57 -3.173 -9.455 -7.892 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.499 -8.180 -8.096 1.00 0.00 C ATOM 2205 C ILE B 57 -1.956 -7.641 -6.774 1.00 0.00 C ATOM 2206 O ILE B 57 -0.879 -7.044 -6.731 1.00 0.00 O ATOM 2207 CB ILE B 57 -3.442 -7.145 -8.748 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -3.913 -7.662 -10.113 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -2.749 -5.794 -8.892 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -4.870 -6.731 -10.823 1.00 0.00 C ATOM 0 H ILE B 57 -4.170 -9.444 -8.105 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.664 -8.352 -8.775 1.00 0.00 H new ATOM 0 HB ILE B 57 -4.310 -7.006 -8.104 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -3.043 -7.827 -10.748 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -4.396 -8.630 -9.977 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -3.433 -5.082 -9.354 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -2.455 -5.429 -7.908 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -1.863 -5.904 -9.518 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -5.158 -7.166 -11.780 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -5.759 -6.585 -10.209 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -4.384 -5.770 -10.992 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.695 -7.878 -5.693 1.00 0.00 N ATOM 2223 CA ALA B 58 -2.244 -7.495 -4.360 1.00 0.00 C ATOM 2224 C ALA B 58 -0.937 -8.202 -4.013 1.00 0.00 C ATOM 2225 O ALA B 58 -0.029 -7.603 -3.441 1.00 0.00 O ATOM 2226 CB ALA B 58 -3.310 -7.811 -3.320 1.00 0.00 C ATOM 0 H ALA B 58 -3.608 -8.333 -5.715 1.00 0.00 H new ATOM 0 HA ALA B 58 -2.068 -6.419 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.953 -7.518 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -4.222 -7.261 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.519 -8.881 -3.327 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.844 -9.474 -4.383 1.00 0.00 N ATOM 2233 CA ASN B 59 0.365 -10.256 -4.142 1.00 0.00 C ATOM 2234 C ASN B 59 1.514 -9.761 -5.011 1.00 0.00 C ATOM 2235 O ASN B 59 2.658 -9.703 -4.562 1.00 0.00 O ATOM 2236 CB ASN B 59 0.112 -11.744 -4.395 1.00 0.00 C ATOM 2237 CG ASN B 59 -0.688 -12.389 -3.281 1.00 0.00 C ATOM 2238 OD1 ASN B 59 -0.570 -12.010 -2.115 1.00 0.00 O ATOM 2239 ND2 ASN B 59 -1.504 -13.372 -3.627 1.00 0.00 N ATOM 0 H ASN B 59 -1.591 -9.987 -4.851 1.00 0.00 H new ATOM 0 HA ASN B 59 0.643 -10.126 -3.096 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -0.421 -11.864 -5.338 1.00 0.00 H new ATOM 0 HB3 ASN B 59 1.066 -12.260 -4.500 1.00 0.00 H new ATOM 0 HD21 ASN B 59 -2.063 -13.845 -2.917 1.00 0.00 H new ATOM 0 HD22 ASN B 59 -1.574 -13.657 -4.604 1.00 0.00 H new ATOM 2246 N SER B 60 1.207 -9.399 -6.251 1.00 0.00 N ATOM 2247 CA SER B 60 2.203 -8.831 -7.150 1.00 0.00 C ATOM 2248 C SER B 60 2.750 -7.520 -6.584 1.00 0.00 C ATOM 2249 O SER B 60 3.954 -7.262 -6.632 1.00 0.00 O ATOM 2250 CB SER B 60 1.591 -8.601 -8.533 1.00 0.00 C ATOM 2251 OG SER B 60 1.076 -9.811 -9.070 1.00 0.00 O ATOM 0 H SER B 60 0.275 -9.489 -6.657 1.00 0.00 H new ATOM 0 HA SER B 60 3.030 -9.535 -7.245 1.00 0.00 H new ATOM 0 HB2 SER B 60 0.793 -7.862 -8.463 1.00 0.00 H new ATOM 0 HB3 SER B 60 2.346 -8.193 -9.205 1.00 0.00 H new ATOM 0 HG SER B 60 0.311 -10.107 -8.534 1.00 0.00 H new ATOM 2257 N PHE B 61 1.853 -6.702 -6.039 1.00 0.00 N ATOM 2258 CA PHE B 61 2.237 -5.447 -5.405 1.00 0.00 C ATOM 2259 C PHE B 61 3.070 -5.723 -4.156 1.00 0.00 C ATOM 2260 O PHE B 61 4.121 -5.115 -3.950 1.00 0.00 O ATOM 2261 CB PHE B 61 0.989 -4.634 -5.040 1.00 0.00 C ATOM 2262 CG PHE B 61 1.285 -3.287 -4.440 1.00 0.00 C ATOM 2263 CD1 PHE B 61 1.484 -2.182 -5.253 1.00 0.00 C ATOM 2264 CD2 PHE B 61 1.358 -3.122 -3.064 1.00 0.00 C ATOM 2265 CE1 PHE B 61 1.751 -0.941 -4.707 1.00 0.00 C ATOM 2266 CE2 PHE B 61 1.624 -1.883 -2.513 1.00 0.00 C ATOM 2267 CZ PHE B 61 1.822 -0.791 -3.335 1.00 0.00 C ATOM 0 H PHE B 61 0.850 -6.889 -6.025 1.00 0.00 H new ATOM 0 HA PHE B 61 2.838 -4.869 -6.107 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.384 -4.495 -5.936 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.388 -5.209 -4.336 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.430 -2.292 -6.326 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.205 -3.972 -2.416 1.00 0.00 H new ATOM 0 HE1 PHE B 61 1.904 -0.089 -5.352 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.677 -1.769 -1.440 1.00 0.00 H new ATOM 0 HZ PHE B 61 2.032 0.178 -2.907 1.00 0.00 H new ATOM 2277 N ALA B 62 2.591 -6.652 -3.334 1.00 0.00 N ATOM 2278 CA ALA B 62 3.287 -7.039 -2.114 1.00 0.00 C ATOM 2279 C ALA B 62 4.694 -7.538 -2.419 1.00 0.00 C ATOM 2280 O ALA B 62 5.663 -7.107 -1.798 1.00 0.00 O ATOM 2281 CB ALA B 62 2.496 -8.106 -1.372 1.00 0.00 C ATOM 0 H ALA B 62 1.717 -7.153 -3.494 1.00 0.00 H new ATOM 0 HA ALA B 62 3.373 -6.157 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.027 -8.386 -0.462 1.00 0.00 H new ATOM 0 HB2 ALA B 62 1.512 -7.715 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA B 62 2.381 -8.983 -2.009 1.00 0.00 H new ATOM 2287 N ARG B 63 4.808 -8.431 -3.393 1.00 0.00 N ATOM 2288 CA ARG B 63 6.102 -8.980 -3.771 1.00 0.00 C ATOM 2289 C ARG B 63 7.043 -7.872 -4.231 1.00 0.00 C ATOM 2290 O ARG B 63 8.239 -7.899 -3.935 1.00 0.00 O ATOM 2291 CB ARG B 63 5.949 -10.024 -4.878 1.00 0.00 C ATOM 2292 CG ARG B 63 7.238 -10.771 -5.174 1.00 0.00 C ATOM 2293 CD ARG B 63 7.678 -11.598 -3.978 1.00 0.00 C ATOM 2294 NE ARG B 63 9.056 -12.065 -4.107 1.00 0.00 N ATOM 2295 CZ ARG B 63 9.417 -13.348 -4.164 1.00 0.00 C ATOM 2296 NH1 ARG B 63 8.493 -14.305 -4.205 1.00 0.00 N ATOM 2297 NH2 ARG B 63 10.702 -13.666 -4.198 1.00 0.00 N ATOM 0 H ARG B 63 4.021 -8.790 -3.934 1.00 0.00 H new ATOM 0 HA ARG B 63 6.529 -9.463 -2.892 1.00 0.00 H new ATOM 0 HB2 ARG B 63 5.179 -10.740 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG B 63 5.604 -9.533 -5.788 1.00 0.00 H new ATOM 0 HG2 ARG B 63 7.095 -11.421 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG B 63 8.022 -10.060 -5.437 1.00 0.00 H new ATOM 0 HD2 ARG B 63 7.582 -11.001 -3.071 1.00 0.00 H new ATOM 0 HD3 ARG B 63 7.014 -12.456 -3.867 1.00 0.00 H new ATOM 0 HE ARG B 63 9.793 -11.362 -4.157 1.00 0.00 H new ATOM 0 HH11 ARG B 63 7.503 -14.059 -4.193 1.00 0.00 H new ATOM 0 HH12 ARG B 63 8.775 -15.284 -4.249 1.00 0.00 H new ATOM 0 HH21 ARG B 63 11.410 -12.932 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG B 63 10.984 -14.645 -4.242 1.00 0.00 H new ATOM 2311 N ALA B 64 6.495 -6.891 -4.942 1.00 0.00 N ATOM 2312 CA ALA B 64 7.276 -5.757 -5.420 1.00 0.00 C ATOM 2313 C ALA B 64 7.833 -4.946 -4.253 1.00 0.00 C ATOM 2314 O ALA B 64 8.913 -4.360 -4.350 1.00 0.00 O ATOM 2315 CB ALA B 64 6.433 -4.875 -6.329 1.00 0.00 C ATOM 0 H ALA B 64 5.509 -6.860 -5.200 1.00 0.00 H new ATOM 0 HA ALA B 64 8.118 -6.144 -5.995 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.032 -4.033 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.092 -5.456 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.570 -4.503 -5.777 1.00 0.00 H new ATOM 2321 N LEU B 65 7.095 -4.927 -3.148 1.00 0.00 N ATOM 2322 CA LEU B 65 7.534 -4.236 -1.942 1.00 0.00 C ATOM 2323 C LEU B 65 8.791 -4.899 -1.387 1.00 0.00 C ATOM 2324 O LEU B 65 9.788 -4.229 -1.117 1.00 0.00 O ATOM 2325 CB LEU B 65 6.422 -4.243 -0.887 1.00 0.00 C ATOM 2326 CG LEU B 65 6.691 -3.391 0.355 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.740 -1.916 -0.009 1.00 0.00 C ATOM 2328 CD2 LEU B 65 5.630 -3.648 1.414 1.00 0.00 C ATOM 0 H LEU B 65 6.187 -5.384 -3.063 1.00 0.00 H new ATOM 0 HA LEU B 65 7.764 -3.201 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.500 -3.895 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.251 -5.272 -0.571 1.00 0.00 H new ATOM 0 HG LEU B 65 7.661 -3.673 0.764 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.932 -1.326 0.887 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.537 -1.746 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.786 -1.616 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.835 -3.035 2.291 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.648 -3.393 1.015 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.645 -4.701 1.696 1.00 0.00 H new ATOM 2340 N GLN B 66 8.747 -6.222 -1.244 1.00 0.00 N ATOM 2341 CA GLN B 66 9.907 -6.981 -0.776 1.00 0.00 C ATOM 2342 C GLN B 66 11.028 -6.982 -1.813 1.00 0.00 C ATOM 2343 O GLN B 66 12.182 -7.264 -1.491 1.00 0.00 O ATOM 2344 CB GLN B 66 9.526 -8.423 -0.424 1.00 0.00 C ATOM 2345 CG GLN B 66 9.112 -8.616 1.030 1.00 0.00 C ATOM 2346 CD GLN B 66 7.795 -7.948 1.373 1.00 0.00 C ATOM 2347 OE1 GLN B 66 6.909 -7.834 0.537 1.00 0.00 O ATOM 2348 NE2 GLN B 66 7.662 -7.503 2.610 1.00 0.00 N ATOM 0 H GLN B 66 7.924 -6.790 -1.444 1.00 0.00 H new ATOM 0 HA GLN B 66 10.267 -6.485 0.126 1.00 0.00 H new ATOM 0 HB2 GLN B 66 8.707 -8.740 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN B 66 10.372 -9.075 -0.640 1.00 0.00 H new ATOM 0 HG2 GLN B 66 9.036 -9.683 1.240 1.00 0.00 H new ATOM 0 HG3 GLN B 66 9.893 -8.218 1.679 1.00 0.00 H new ATOM 0 HE21 GLN B 66 8.424 -7.617 3.278 1.00 0.00 H new ATOM 0 HE22 GLN B 66 6.797 -7.045 2.897 1.00 0.00 H new ATOM 2357 N SER B 67 10.687 -6.673 -3.057 1.00 0.00 N ATOM 2358 CA SER B 67 11.686 -6.558 -4.112 1.00 0.00 C ATOM 2359 C SER B 67 12.400 -5.212 -4.012 1.00 0.00 C ATOM 2360 O SER B 67 13.487 -5.026 -4.556 1.00 0.00 O ATOM 2361 CB SER B 67 11.029 -6.707 -5.486 1.00 0.00 C ATOM 2362 OG SER B 67 10.313 -7.927 -5.581 1.00 0.00 O ATOM 0 H SER B 67 9.729 -6.498 -3.360 1.00 0.00 H new ATOM 0 HA SER B 67 12.418 -7.356 -3.989 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.353 -5.870 -5.661 1.00 0.00 H new ATOM 0 HB3 SER B 67 11.792 -6.668 -6.263 1.00 0.00 H new ATOM 0 HG SER B 67 9.549 -7.907 -4.967 1.00 0.00 H new ATOM 2368 N SER B 68 11.775 -4.279 -3.306 1.00 0.00 N ATOM 2369 CA SER B 68 12.346 -2.958 -3.107 1.00 0.00 C ATOM 2370 C SER B 68 13.048 -2.887 -1.752 1.00 0.00 C ATOM 2371 O SER B 68 14.237 -2.578 -1.669 1.00 0.00 O ATOM 2372 CB SER B 68 11.247 -1.899 -3.196 1.00 0.00 C ATOM 2373 OG SER B 68 10.504 -2.033 -4.399 1.00 0.00 O ATOM 0 H SER B 68 10.868 -4.416 -2.860 1.00 0.00 H new ATOM 0 HA SER B 68 13.082 -2.766 -3.888 1.00 0.00 H new ATOM 0 HB2 SER B 68 10.579 -1.991 -2.340 1.00 0.00 H new ATOM 0 HB3 SER B 68 11.691 -0.905 -3.148 1.00 0.00 H new ATOM 0 HG SER B 68 9.961 -2.848 -4.359 1.00 0.00 H new ATOM 2379 N ILE B 69 12.314 -3.202 -0.693 1.00 0.00 N ATOM 2380 CA ILE B 69 12.868 -3.181 0.651 1.00 0.00 C ATOM 2381 C ILE B 69 13.550 -4.510 0.954 1.00 0.00 C ATOM 2382 O ILE B 69 12.944 -5.427 1.512 1.00 0.00 O ATOM 2383 CB ILE B 69 11.785 -2.895 1.714 1.00 0.00 C ATOM 2384 CG1 ILE B 69 11.011 -1.623 1.353 1.00 0.00 C ATOM 2385 CG2 ILE B 69 12.416 -2.764 3.098 1.00 0.00 C ATOM 2386 CD1 ILE B 69 9.854 -1.331 2.284 1.00 0.00 C ATOM 0 H ILE B 69 11.332 -3.475 -0.741 1.00 0.00 H new ATOM 0 HA ILE B 69 13.599 -2.374 0.694 1.00 0.00 H new ATOM 0 HB ILE B 69 11.087 -3.732 1.734 1.00 0.00 H new ATOM 0 HG12 ILE B 69 11.697 -0.776 1.363 1.00 0.00 H new ATOM 0 HG13 ILE B 69 10.633 -1.715 0.335 1.00 0.00 H new ATOM 0 HG21 ILE B 69 11.638 -2.563 3.835 1.00 0.00 H new ATOM 0 HG22 ILE B 69 12.927 -3.692 3.354 1.00 0.00 H new ATOM 0 HG23 ILE B 69 13.134 -1.944 3.094 1.00 0.00 H new ATOM 0 HD11 ILE B 69 9.353 -0.416 1.966 1.00 0.00 H new ATOM 0 HD12 ILE B 69 9.147 -2.160 2.257 1.00 0.00 H new ATOM 0 HD13 ILE B 69 10.227 -1.206 3.300 1.00 0.00 H new