USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 483 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 Single : A 12 ASN : amide:sc= -0.313 K(o=-0.31,f=-3.4!) USER MOD Single : A 13 THR OG1 : rot -160:sc= -0.395 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.193 F(o=-0.77,f=-0.19) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -126:sc= -0.0549 (180deg=-0.503) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.43 F(o=-2.1,f=-0.43) USER MOD Single : A 35 SER OG : rot 180:sc= -0.244 USER MOD Single : A 38 GLN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 142:sc= -4.49! (180deg=-6.07!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 49 TYR OH : rot -16:sc= -0.734! USER MOD Single : A 50 SER OG : rot 180:sc= -0.0274 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00211 USER MOD Single : A 58 LYS NZ :NH3+ -128:sc= 0.679 (180deg=-1.99!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -151:sc= 0.743 USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= 0.593 (180deg=-0.8!) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.353 0.495 -1.213 1.00 0.00 N ATOM 138 CA TRP A 11 12.892 1.884 -1.506 1.00 0.00 C ATOM 139 C TRP A 11 13.849 2.908 -0.889 1.00 0.00 C ATOM 140 O TRP A 11 14.056 2.939 0.308 1.00 0.00 O ATOM 141 CB TRP A 11 11.510 1.980 -0.859 1.00 0.00 C ATOM 142 CG TRP A 11 10.492 1.373 -1.766 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.857 2.031 -2.761 1.00 0.00 C ATOM 144 CD2 TRP A 11 9.981 0.009 -1.784 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.980 1.160 -3.382 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.022 -0.097 -2.818 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.249 -1.135 -1.011 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.354 -1.293 -3.079 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.579 -2.341 -1.271 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.633 -2.418 -2.303 1.00 0.00 C ATOM 0 HA TRP A 11 12.861 2.092 -2.575 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.510 1.465 0.102 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.261 3.023 -0.661 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.009 3.066 -3.027 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.376 1.417 -4.163 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.975 -1.085 -0.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.627 -1.348 -3.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.793 -3.214 -0.673 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.120 -3.348 -2.497 1.00 0.00 H new ATOM 161 N ASN A 12 14.429 3.751 -1.699 1.00 0.00 N ATOM 162 CA ASN A 12 15.370 4.777 -1.164 1.00 0.00 C ATOM 163 C ASN A 12 14.675 6.140 -1.088 1.00 0.00 C ATOM 164 O ASN A 12 15.159 7.061 -0.459 1.00 0.00 O ATOM 165 CB ASN A 12 16.522 4.817 -2.167 1.00 0.00 C ATOM 166 CG ASN A 12 17.852 4.906 -1.417 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.876 4.963 -0.204 1.00 0.00 O ATOM 168 ND2 ASN A 12 18.968 4.920 -2.094 1.00 0.00 N ATOM 0 H ASN A 12 14.292 3.774 -2.709 1.00 0.00 H new ATOM 0 HA ASN A 12 15.715 4.539 -0.158 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.504 3.924 -2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 12 16.410 5.674 -2.831 1.00 0.00 H new ATOM 0 HD21 ASN A 12 19.861 4.979 -1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 12 18.947 4.872 -3.113 1.00 0.00 H new ATOM 175 N THR A 13 13.544 6.276 -1.727 1.00 0.00 N ATOM 176 CA THR A 13 12.817 7.579 -1.694 1.00 0.00 C ATOM 177 C THR A 13 11.398 7.377 -1.156 1.00 0.00 C ATOM 178 O THR A 13 10.814 6.321 -1.298 1.00 0.00 O ATOM 179 CB THR A 13 12.784 8.050 -3.149 1.00 0.00 C ATOM 180 OG1 THR A 13 12.541 6.939 -4.001 1.00 0.00 O ATOM 181 CG2 THR A 13 14.126 8.689 -3.509 1.00 0.00 C ATOM 0 H THR A 13 13.092 5.541 -2.271 1.00 0.00 H new ATOM 0 HA THR A 13 13.300 8.308 -1.043 1.00 0.00 H new ATOM 0 HB THR A 13 11.988 8.784 -3.276 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.827 7.157 -4.913 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.103 9.025 -4.546 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.310 9.542 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.923 7.957 -3.383 1.00 0.00 H new ATOM 189 N LYS A 14 10.838 8.381 -0.536 1.00 0.00 N ATOM 190 CA LYS A 14 9.460 8.243 0.016 1.00 0.00 C ATOM 191 C LYS A 14 8.437 8.105 -1.117 1.00 0.00 C ATOM 192 O LYS A 14 7.438 7.427 -0.981 1.00 0.00 O ATOM 193 CB LYS A 14 9.218 9.531 0.805 1.00 0.00 C ATOM 194 CG LYS A 14 8.219 9.262 1.934 1.00 0.00 C ATOM 195 CD LYS A 14 8.891 8.425 3.026 1.00 0.00 C ATOM 196 CE LYS A 14 8.816 9.169 4.362 1.00 0.00 C ATOM 197 NZ LYS A 14 10.082 9.950 4.438 1.00 0.00 N ATOM 0 H LYS A 14 11.275 9.290 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 14 9.356 7.355 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.158 9.899 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.834 10.308 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.864 10.204 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.347 8.737 1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.399 7.456 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.931 8.233 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.945 9.823 4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.730 8.474 5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.105 10.488 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.893 9.300 4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.133 10.608 3.634 1.00 0.00 H new ATOM 211 N GLU A 15 8.673 8.741 -2.234 1.00 0.00 N ATOM 212 CA GLU A 15 7.702 8.638 -3.365 1.00 0.00 C ATOM 213 C GLU A 15 7.619 7.194 -3.860 1.00 0.00 C ATOM 214 O GLU A 15 6.548 6.649 -4.037 1.00 0.00 O ATOM 215 CB GLU A 15 8.266 9.545 -4.463 1.00 0.00 C ATOM 216 CG GLU A 15 7.621 9.189 -5.808 1.00 0.00 C ATOM 217 CD GLU A 15 8.252 10.034 -6.916 1.00 0.00 C ATOM 218 OE1 GLU A 15 8.556 11.186 -6.654 1.00 0.00 O ATOM 219 OE2 GLU A 15 8.420 9.515 -8.007 1.00 0.00 O ATOM 0 H GLU A 15 9.491 9.324 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 15 6.696 8.934 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.072 10.590 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.348 9.428 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.760 8.129 -6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.547 9.368 -5.767 1.00 0.00 H new ATOM 226 N GLU A 16 8.739 6.578 -4.090 1.00 0.00 N ATOM 227 CA GLU A 16 8.729 5.171 -4.580 1.00 0.00 C ATOM 228 C GLU A 16 8.072 4.259 -3.547 1.00 0.00 C ATOM 229 O GLU A 16 7.266 3.410 -3.873 1.00 0.00 O ATOM 230 CB GLU A 16 10.201 4.804 -4.767 1.00 0.00 C ATOM 231 CG GLU A 16 10.787 5.619 -5.922 1.00 0.00 C ATOM 232 CD GLU A 16 10.181 5.139 -7.242 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.483 4.027 -7.641 1.00 0.00 O ATOM 234 OE2 GLU A 16 9.422 5.893 -7.832 1.00 0.00 O ATOM 0 H GLU A 16 9.665 6.986 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 16 8.164 5.059 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.756 5.002 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.298 3.738 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.577 6.679 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.871 5.509 -5.946 1.00 0.00 H new ATOM 241 N ALA A 17 8.409 4.430 -2.302 1.00 0.00 N ATOM 242 CA ALA A 17 7.804 3.575 -1.243 1.00 0.00 C ATOM 243 C ALA A 17 6.291 3.802 -1.195 1.00 0.00 C ATOM 244 O ALA A 17 5.511 2.868 -1.171 1.00 0.00 O ATOM 245 CB ALA A 17 8.463 4.041 0.056 1.00 0.00 C ATOM 0 H ALA A 17 9.078 5.125 -1.970 1.00 0.00 H new ATOM 0 HA ALA A 17 7.961 2.511 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.072 3.460 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.542 3.899 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.246 5.097 0.216 1.00 0.00 H new ATOM 251 N LYS A 18 5.871 5.037 -1.199 1.00 0.00 N ATOM 252 CA LYS A 18 4.411 5.329 -1.171 1.00 0.00 C ATOM 253 C LYS A 18 3.772 4.844 -2.469 1.00 0.00 C ATOM 254 O LYS A 18 2.673 4.326 -2.483 1.00 0.00 O ATOM 255 CB LYS A 18 4.317 6.849 -1.069 1.00 0.00 C ATOM 256 CG LYS A 18 2.996 7.238 -0.403 1.00 0.00 C ATOM 257 CD LYS A 18 3.158 8.585 0.304 1.00 0.00 C ATOM 258 CE LYS A 18 1.963 9.481 -0.025 1.00 0.00 C ATOM 259 NZ LYS A 18 2.531 10.602 -0.826 1.00 0.00 N ATOM 0 H LYS A 18 6.477 5.857 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 18 3.897 4.834 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.156 7.237 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.381 7.295 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.204 7.300 -1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.699 6.473 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.229 8.436 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.084 9.065 -0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.205 8.937 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.483 9.848 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.770 11.260 -1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.244 11.106 -0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.975 10.223 -1.687 1.00 0.00 H new ATOM 273 N GLN A 19 4.460 5.011 -3.563 1.00 0.00 N ATOM 274 CA GLN A 19 3.906 4.563 -4.869 1.00 0.00 C ATOM 275 C GLN A 19 3.799 3.037 -4.900 1.00 0.00 C ATOM 276 O GLN A 19 2.840 2.488 -5.404 1.00 0.00 O ATOM 277 CB GLN A 19 4.905 5.059 -5.913 1.00 0.00 C ATOM 278 CG GLN A 19 4.199 5.224 -7.259 1.00 0.00 C ATOM 279 CD GLN A 19 5.134 4.762 -8.374 1.00 0.00 C ATOM 280 OE1 GLN A 19 5.786 3.643 -8.232 1.00 0.00 O flip ATOM 281 NE2 GLN A 19 5.273 5.425 -9.382 1.00 0.00 N flip ATOM 0 H GLN A 19 5.384 5.440 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 19 2.904 4.952 -5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.335 6.010 -5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.729 4.352 -6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.278 4.641 -7.275 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.919 6.266 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.762 6.301 -9.491 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.901 5.106 -10.120 1.00 0.00 H new ATOM 290 N ALA A 20 4.766 2.339 -4.360 1.00 0.00 N ATOM 291 CA ALA A 20 4.686 0.849 -4.365 1.00 0.00 C ATOM 292 C ALA A 20 3.566 0.395 -3.431 1.00 0.00 C ATOM 293 O ALA A 20 2.906 -0.595 -3.671 1.00 0.00 O ATOM 294 CB ALA A 20 6.045 0.356 -3.864 1.00 0.00 C ATOM 0 H ALA A 20 5.598 2.732 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 20 4.467 0.450 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.052 -0.734 -3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.830 0.712 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.223 0.739 -2.859 1.00 0.00 H new ATOM 300 N PHE A 21 3.339 1.118 -2.368 1.00 0.00 N ATOM 301 CA PHE A 21 2.252 0.729 -1.426 1.00 0.00 C ATOM 302 C PHE A 21 0.887 0.958 -2.084 1.00 0.00 C ATOM 303 O PHE A 21 0.009 0.115 -2.034 1.00 0.00 O ATOM 304 CB PHE A 21 2.425 1.641 -0.213 1.00 0.00 C ATOM 305 CG PHE A 21 1.525 1.167 0.902 1.00 0.00 C ATOM 306 CD1 PHE A 21 0.201 1.611 0.966 1.00 0.00 C ATOM 307 CD2 PHE A 21 2.016 0.283 1.872 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.636 1.174 1.997 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.179 -0.156 2.905 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.147 0.290 2.967 1.00 0.00 C ATOM 0 H PHE A 21 3.857 1.958 -2.112 1.00 0.00 H new ATOM 0 HA PHE A 21 2.302 -0.323 -1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.464 1.634 0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.182 2.669 -0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.176 2.293 0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.039 -0.059 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.659 1.518 2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.556 -0.838 3.653 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.793 -0.048 3.764 1.00 0.00 H new ATOM 320 N LYS A 22 0.704 2.080 -2.724 1.00 0.00 N ATOM 321 CA LYS A 22 -0.593 2.330 -3.397 1.00 0.00 C ATOM 322 C LYS A 22 -0.671 1.405 -4.616 1.00 0.00 C ATOM 323 O LYS A 22 -1.680 0.774 -4.873 1.00 0.00 O ATOM 324 CB LYS A 22 -0.564 3.826 -3.766 1.00 0.00 C ATOM 325 CG LYS A 22 -0.648 4.019 -5.279 1.00 0.00 C ATOM 326 CD LYS A 22 -0.454 5.497 -5.620 1.00 0.00 C ATOM 327 CE LYS A 22 -0.433 5.672 -7.140 1.00 0.00 C ATOM 328 NZ LYS A 22 0.706 6.593 -7.406 1.00 0.00 N ATOM 0 H LYS A 22 1.393 2.827 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.474 2.123 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.396 4.339 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.352 4.280 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.114 3.418 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.615 3.675 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.259 6.090 -5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.478 5.861 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.294 4.716 -7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.372 6.091 -7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.785 6.761 -8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.543 7.497 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.587 6.165 -7.057 1.00 0.00 H new ATOM 342 N GLU A 23 0.409 1.292 -5.344 1.00 0.00 N ATOM 343 CA GLU A 23 0.414 0.378 -6.515 1.00 0.00 C ATOM 344 C GLU A 23 0.148 -1.040 -6.013 1.00 0.00 C ATOM 345 O GLU A 23 -0.467 -1.848 -6.680 1.00 0.00 O ATOM 346 CB GLU A 23 1.818 0.498 -7.113 1.00 0.00 C ATOM 347 CG GLU A 23 1.868 1.703 -8.051 1.00 0.00 C ATOM 348 CD GLU A 23 2.136 1.228 -9.479 1.00 0.00 C ATOM 349 OE1 GLU A 23 1.199 0.771 -10.114 1.00 0.00 O ATOM 350 OE2 GLU A 23 3.271 1.326 -9.913 1.00 0.00 O ATOM 0 H GLU A 23 1.282 1.792 -5.176 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.345 0.619 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.555 0.611 -6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.073 -0.411 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.926 2.249 -8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.650 2.392 -7.733 1.00 0.00 H new ATOM 357 N LEU A 24 0.585 -1.331 -4.815 1.00 0.00 N ATOM 358 CA LEU A 24 0.338 -2.679 -4.232 1.00 0.00 C ATOM 359 C LEU A 24 -1.170 -2.866 -4.073 1.00 0.00 C ATOM 360 O LEU A 24 -1.726 -3.881 -4.438 1.00 0.00 O ATOM 361 CB LEU A 24 1.036 -2.656 -2.867 1.00 0.00 C ATOM 362 CG LEU A 24 0.773 -3.962 -2.114 1.00 0.00 C ATOM 363 CD1 LEU A 24 1.038 -5.154 -3.034 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.705 -4.044 -0.901 1.00 0.00 C ATOM 0 H LEU A 24 1.104 -0.689 -4.215 1.00 0.00 H new ATOM 0 HA LEU A 24 0.713 -3.496 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.108 -2.516 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.675 -1.811 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.266 -3.984 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.849 -6.081 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.378 -5.099 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.076 -5.133 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.520 -4.973 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.742 -4.019 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.517 -3.198 -0.240 1.00 0.00 H new ATOM 376 N LEU A 25 -1.838 -1.874 -3.547 1.00 0.00 N ATOM 377 CA LEU A 25 -3.317 -1.975 -3.381 1.00 0.00 C ATOM 378 C LEU A 25 -3.984 -2.205 -4.740 1.00 0.00 C ATOM 379 O LEU A 25 -4.913 -2.984 -4.864 1.00 0.00 O ATOM 380 CB LEU A 25 -3.742 -0.628 -2.805 1.00 0.00 C ATOM 381 CG LEU A 25 -3.733 -0.701 -1.281 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.892 0.442 -0.714 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.168 -0.579 -0.771 1.00 0.00 C ATOM 0 H LEU A 25 -1.424 -0.999 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.605 -2.806 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.065 0.155 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.738 -0.366 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.305 -1.651 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.888 0.386 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.870 0.361 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.317 1.396 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.173 -0.630 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.588 0.374 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.768 -1.394 -1.175 1.00 0.00 H new ATOM 395 N LYS A 26 -3.516 -1.534 -5.760 1.00 0.00 N ATOM 396 CA LYS A 26 -4.120 -1.721 -7.111 1.00 0.00 C ATOM 397 C LYS A 26 -3.944 -3.173 -7.555 1.00 0.00 C ATOM 398 O LYS A 26 -4.860 -3.797 -8.054 1.00 0.00 O ATOM 399 CB LYS A 26 -3.343 -0.778 -8.030 1.00 0.00 C ATOM 400 CG LYS A 26 -4.321 0.132 -8.776 1.00 0.00 C ATOM 401 CD LYS A 26 -4.990 -0.653 -9.906 1.00 0.00 C ATOM 402 CE LYS A 26 -5.148 0.251 -11.131 1.00 0.00 C ATOM 403 NZ LYS A 26 -6.611 0.520 -11.226 1.00 0.00 N ATOM 0 H LYS A 26 -2.745 -0.868 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.188 -1.505 -7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.645 -0.178 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.751 -1.353 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.075 0.514 -8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.793 0.995 -9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.390 -1.527 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.965 -1.018 -9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.583 1.176 -11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.777 -0.237 -12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.799 1.135 -12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.122 -0.378 -11.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.934 0.991 -10.357 1.00 0.00 H new ATOM 417 N GLU A 27 -2.776 -3.720 -7.360 1.00 0.00 N ATOM 418 CA GLU A 27 -2.545 -5.137 -7.754 1.00 0.00 C ATOM 419 C GLU A 27 -3.360 -6.053 -6.840 1.00 0.00 C ATOM 420 O GLU A 27 -3.701 -7.164 -7.194 1.00 0.00 O ATOM 421 CB GLU A 27 -1.047 -5.364 -7.549 1.00 0.00 C ATOM 422 CG GLU A 27 -0.410 -5.807 -8.869 1.00 0.00 C ATOM 423 CD GLU A 27 1.086 -5.488 -8.846 1.00 0.00 C ATOM 424 OE1 GLU A 27 1.426 -4.327 -9.012 1.00 0.00 O ATOM 425 OE2 GLU A 27 1.865 -6.408 -8.660 1.00 0.00 O ATOM 0 H GLU A 27 -1.973 -3.247 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.845 -5.347 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.575 -4.447 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.885 -6.122 -6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.562 -6.876 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.889 -5.297 -9.705 1.00 0.00 H new ATOM 432 N LYS A 28 -3.683 -5.583 -5.665 1.00 0.00 N ATOM 433 CA LYS A 28 -4.487 -6.408 -4.722 1.00 0.00 C ATOM 434 C LYS A 28 -5.977 -6.201 -4.995 1.00 0.00 C ATOM 435 O LYS A 28 -6.825 -6.795 -4.359 1.00 0.00 O ATOM 436 CB LYS A 28 -4.118 -5.893 -3.329 1.00 0.00 C ATOM 437 CG LYS A 28 -2.946 -6.702 -2.765 1.00 0.00 C ATOM 438 CD LYS A 28 -1.714 -6.536 -3.657 1.00 0.00 C ATOM 439 CE LYS A 28 -0.757 -7.708 -3.428 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.367 -8.850 -4.167 1.00 0.00 N ATOM 0 H LYS A 28 -3.423 -4.660 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.286 -7.474 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.850 -4.838 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.978 -5.971 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.719 -6.369 -1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.219 -7.755 -2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.013 -6.496 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.213 -5.594 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.241 -7.482 -3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.655 -7.933 -2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.479 -9.659 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.298 -8.568 -4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.750 -9.120 -4.959 1.00 0.00 H new ATOM 454 N ARG A 29 -6.299 -5.363 -5.943 1.00 0.00 N ATOM 455 CA ARG A 29 -7.730 -5.114 -6.269 1.00 0.00 C ATOM 456 C ARG A 29 -8.482 -4.607 -5.036 1.00 0.00 C ATOM 457 O ARG A 29 -9.661 -4.852 -4.880 1.00 0.00 O ATOM 458 CB ARG A 29 -8.277 -6.470 -6.708 1.00 0.00 C ATOM 459 CG ARG A 29 -8.075 -6.637 -8.215 1.00 0.00 C ATOM 460 CD ARG A 29 -9.357 -6.243 -8.951 1.00 0.00 C ATOM 461 NE ARG A 29 -8.941 -6.049 -10.368 1.00 0.00 N ATOM 462 CZ ARG A 29 -9.709 -5.385 -11.188 1.00 0.00 C ATOM 463 NH1 ARG A 29 -10.943 -5.764 -11.378 1.00 0.00 N ATOM 464 NH2 ARG A 29 -9.242 -4.343 -11.820 1.00 0.00 N ATOM 0 H ARG A 29 -5.630 -4.839 -6.507 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.847 -4.354 -7.042 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.768 -7.271 -6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.336 -6.544 -6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.245 -6.016 -8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.814 -7.670 -8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.117 -7.020 -8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.786 -5.331 -8.537 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.056 -6.435 -10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.308 -6.579 -10.886 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.543 -5.245 -12.019 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.277 -4.048 -11.673 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.842 -3.824 -12.461 1.00 0.00 H new ATOM 478 N VAL A 30 -7.821 -3.895 -4.164 1.00 0.00 N ATOM 479 CA VAL A 30 -8.533 -3.377 -2.958 1.00 0.00 C ATOM 480 C VAL A 30 -9.608 -2.378 -3.397 1.00 0.00 C ATOM 481 O VAL A 30 -9.344 -1.494 -4.184 1.00 0.00 O ATOM 482 CB VAL A 30 -7.468 -2.674 -2.110 1.00 0.00 C ATOM 483 CG1 VAL A 30 -7.982 -2.511 -0.680 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.183 -3.504 -2.087 1.00 0.00 C ATOM 0 H VAL A 30 -6.833 -3.651 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.022 -4.172 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.259 -1.696 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.225 -2.011 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.894 -1.913 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.195 -3.492 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.432 -2.996 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.391 -4.485 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.809 -3.624 -3.104 1.00 0.00 H new ATOM 494 N PRO A 31 -10.792 -2.551 -2.876 1.00 0.00 N ATOM 495 CA PRO A 31 -11.907 -1.644 -3.233 1.00 0.00 C ATOM 496 C PRO A 31 -11.714 -0.282 -2.561 1.00 0.00 C ATOM 497 O PRO A 31 -10.925 -0.135 -1.649 1.00 0.00 O ATOM 498 CB PRO A 31 -13.139 -2.356 -2.684 1.00 0.00 C ATOM 499 CG PRO A 31 -12.626 -3.220 -1.578 1.00 0.00 C ATOM 500 CD PRO A 31 -11.204 -3.588 -1.924 1.00 0.00 C ATOM 0 HA PRO A 31 -11.980 -1.449 -4.303 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.877 -1.642 -2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.627 -2.951 -3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.666 -2.691 -0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.240 -4.114 -1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.567 -3.594 -1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.145 -4.582 -2.366 1.00 0.00 H new ATOM 508 N SER A 32 -12.427 0.715 -3.006 1.00 0.00 N ATOM 509 CA SER A 32 -12.282 2.068 -2.395 1.00 0.00 C ATOM 510 C SER A 32 -12.941 2.102 -1.013 1.00 0.00 C ATOM 511 O SER A 32 -12.821 3.065 -0.282 1.00 0.00 O ATOM 512 CB SER A 32 -13.002 3.015 -3.353 1.00 0.00 C ATOM 513 OG SER A 32 -14.406 2.898 -3.163 1.00 0.00 O ATOM 0 H SER A 32 -13.104 0.652 -3.766 1.00 0.00 H new ATOM 0 HA SER A 32 -11.237 2.345 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.684 4.042 -3.175 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.742 2.775 -4.384 1.00 0.00 H new ATOM 0 HG SER A 32 -14.871 3.506 -3.775 1.00 0.00 H new ATOM 519 N ASN A 33 -13.641 1.064 -0.653 1.00 0.00 N ATOM 520 CA ASN A 33 -14.312 1.042 0.679 1.00 0.00 C ATOM 521 C ASN A 33 -13.745 -0.086 1.542 1.00 0.00 C ATOM 522 O ASN A 33 -14.377 -0.543 2.473 1.00 0.00 O ATOM 523 CB ASN A 33 -15.790 0.791 0.372 1.00 0.00 C ATOM 524 CG ASN A 33 -15.915 -0.332 -0.659 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.502 -1.532 -0.352 1.00 0.00 O flip ATOM 526 ND2 ASN A 33 -16.394 -0.117 -1.755 1.00 0.00 N flip ATOM 0 H ASN A 33 -13.779 0.229 -1.222 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.160 1.969 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.321 0.521 1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.253 1.701 -0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.717 0.820 -1.996 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.473 -0.874 -2.434 1.00 0.00 H new ATOM 533 N ALA A 34 -12.560 -0.542 1.241 1.00 0.00 N ATOM 534 CA ALA A 34 -11.962 -1.646 2.046 1.00 0.00 C ATOM 535 C ALA A 34 -11.486 -1.121 3.401 1.00 0.00 C ATOM 536 O ALA A 34 -11.094 0.020 3.533 1.00 0.00 O ATOM 537 CB ALA A 34 -10.769 -2.144 1.227 1.00 0.00 C ATOM 0 H ALA A 34 -11.981 -0.199 0.475 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.683 -2.439 2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.278 -2.959 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.117 -2.500 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.061 -1.328 1.081 1.00 0.00 H new ATOM 543 N SER A 35 -11.497 -1.953 4.403 1.00 0.00 N ATOM 544 CA SER A 35 -11.023 -1.507 5.741 1.00 0.00 C ATOM 545 C SER A 35 -9.508 -1.675 5.804 1.00 0.00 C ATOM 546 O SER A 35 -8.950 -2.526 5.140 1.00 0.00 O ATOM 547 CB SER A 35 -11.705 -2.438 6.741 1.00 0.00 C ATOM 548 OG SER A 35 -11.189 -3.754 6.580 1.00 0.00 O ATOM 0 H SER A 35 -11.813 -2.921 4.354 1.00 0.00 H new ATOM 0 HA SER A 35 -11.256 -0.463 5.949 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.532 -2.088 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.783 -2.435 6.582 1.00 0.00 H new ATOM 0 HG SER A 35 -11.622 -4.356 7.221 1.00 0.00 H new ATOM 554 N TRP A 36 -8.828 -0.884 6.581 1.00 0.00 N ATOM 555 CA TRP A 36 -7.352 -1.042 6.638 1.00 0.00 C ATOM 556 C TRP A 36 -7.003 -2.513 6.862 1.00 0.00 C ATOM 557 O TRP A 36 -6.004 -3.000 6.381 1.00 0.00 O ATOM 558 CB TRP A 36 -6.868 -0.201 7.820 1.00 0.00 C ATOM 559 CG TRP A 36 -5.438 -0.549 8.077 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.910 -0.863 9.281 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.350 -0.645 7.113 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.565 -1.147 9.118 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.173 -1.025 7.798 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.271 -0.440 5.723 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.961 -1.198 7.127 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.052 -0.612 5.048 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.901 -0.993 5.749 1.00 0.00 C ATOM 0 H TRP A 36 -9.220 -0.148 7.169 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.879 -0.720 5.710 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.968 0.862 7.598 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.474 -0.401 8.704 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.449 -0.888 10.217 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.940 -1.414 9.879 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.153 -0.149 5.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.075 -1.489 7.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.002 -0.449 3.981 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.968 -1.128 5.223 1.00 0.00 H new ATOM 578 N GLU A 37 -7.815 -3.224 7.592 1.00 0.00 N ATOM 579 CA GLU A 37 -7.518 -4.663 7.846 1.00 0.00 C ATOM 580 C GLU A 37 -7.587 -5.465 6.542 1.00 0.00 C ATOM 581 O GLU A 37 -6.699 -6.236 6.229 1.00 0.00 O ATOM 582 CB GLU A 37 -8.604 -5.123 8.819 1.00 0.00 C ATOM 583 CG GLU A 37 -8.036 -5.156 10.240 1.00 0.00 C ATOM 584 CD GLU A 37 -7.809 -6.608 10.665 1.00 0.00 C ATOM 585 OE1 GLU A 37 -7.669 -7.445 9.789 1.00 0.00 O ATOM 586 OE2 GLU A 37 -7.779 -6.858 11.859 1.00 0.00 O ATOM 0 H GLU A 37 -8.670 -2.873 8.024 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.516 -4.811 8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.458 -4.447 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.964 -6.112 8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.098 -4.603 10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.724 -4.667 10.930 1.00 0.00 H new ATOM 593 N GLN A 38 -8.631 -5.293 5.776 1.00 0.00 N ATOM 594 CA GLN A 38 -8.750 -6.052 4.497 1.00 0.00 C ATOM 595 C GLN A 38 -7.730 -5.541 3.475 1.00 0.00 C ATOM 596 O GLN A 38 -7.047 -6.310 2.822 1.00 0.00 O ATOM 597 CB GLN A 38 -10.174 -5.776 4.013 1.00 0.00 C ATOM 598 CG GLN A 38 -11.175 -6.342 5.019 1.00 0.00 C ATOM 599 CD GLN A 38 -11.901 -7.539 4.401 1.00 0.00 C ATOM 600 OE1 GLN A 38 -11.764 -8.654 4.866 1.00 0.00 O ATOM 601 NE2 GLN A 38 -12.672 -7.355 3.364 1.00 0.00 N ATOM 0 H GLN A 38 -9.405 -4.661 5.980 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.557 -7.117 4.629 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.328 -4.703 3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.331 -6.229 3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.659 -6.647 5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.895 -5.574 5.303 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.787 -6.420 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.159 -8.147 2.944 1.00 0.00 H new ATOM 610 N ALA A 39 -7.620 -4.250 3.335 1.00 0.00 N ATOM 611 CA ALA A 39 -6.647 -3.689 2.356 1.00 0.00 C ATOM 612 C ALA A 39 -5.214 -3.973 2.809 1.00 0.00 C ATOM 613 O ALA A 39 -4.360 -4.306 2.013 1.00 0.00 O ATOM 614 CB ALA A 39 -6.917 -2.185 2.347 1.00 0.00 C ATOM 0 H ALA A 39 -8.161 -3.559 3.855 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.759 -4.130 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.238 -1.698 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.947 -2.002 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.759 -1.781 3.347 1.00 0.00 H new ATOM 620 N MET A 40 -4.944 -3.840 4.080 1.00 0.00 N ATOM 621 CA MET A 40 -3.562 -4.098 4.578 1.00 0.00 C ATOM 622 C MET A 40 -3.175 -5.558 4.357 1.00 0.00 C ATOM 623 O MET A 40 -2.116 -5.848 3.856 1.00 0.00 O ATOM 624 CB MET A 40 -3.603 -3.790 6.075 1.00 0.00 C ATOM 625 CG MET A 40 -2.279 -4.212 6.719 1.00 0.00 C ATOM 626 SD MET A 40 -2.464 -5.854 7.458 1.00 0.00 S ATOM 627 CE MET A 40 -2.750 -5.304 9.158 1.00 0.00 C ATOM 0 H MET A 40 -5.619 -3.565 4.793 1.00 0.00 H new ATOM 0 HA MET A 40 -2.828 -3.487 4.053 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.774 -2.725 6.234 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.433 -4.319 6.544 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.486 -4.225 5.971 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.986 -3.489 7.481 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.893 -6.172 9.802 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.889 -4.732 9.505 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.640 -4.676 9.192 1.00 0.00 H new ATOM 637 N LYS A 41 -4.020 -6.478 4.733 1.00 0.00 N ATOM 638 CA LYS A 41 -3.680 -7.918 4.544 1.00 0.00 C ATOM 639 C LYS A 41 -3.478 -8.227 3.055 1.00 0.00 C ATOM 640 O LYS A 41 -2.500 -8.845 2.660 1.00 0.00 O ATOM 641 CB LYS A 41 -4.894 -8.672 5.095 1.00 0.00 C ATOM 642 CG LYS A 41 -4.837 -10.144 4.676 1.00 0.00 C ATOM 643 CD LYS A 41 -6.192 -10.557 4.097 1.00 0.00 C ATOM 644 CE LYS A 41 -6.769 -11.707 4.926 1.00 0.00 C ATOM 645 NZ LYS A 41 -7.657 -12.444 3.986 1.00 0.00 N ATOM 0 H LYS A 41 -4.928 -6.297 5.161 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.756 -8.201 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.916 -8.596 6.182 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.813 -8.216 4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.051 -10.293 3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.589 -10.769 5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.877 -9.709 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.077 -10.865 3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.979 -12.352 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.325 -11.335 5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.092 -13.250 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.402 -11.806 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.098 -12.792 3.181 1.00 0.00 H new ATOM 659 N MET A 42 -4.391 -7.794 2.225 1.00 0.00 N ATOM 660 CA MET A 42 -4.259 -8.060 0.765 1.00 0.00 C ATOM 661 C MET A 42 -2.938 -7.497 0.238 1.00 0.00 C ATOM 662 O MET A 42 -2.316 -8.065 -0.637 1.00 0.00 O ATOM 663 CB MET A 42 -5.439 -7.327 0.122 1.00 0.00 C ATOM 664 CG MET A 42 -6.744 -8.040 0.478 1.00 0.00 C ATOM 665 SD MET A 42 -8.142 -7.114 -0.207 1.00 0.00 S ATOM 666 CE MET A 42 -7.643 -7.198 -1.945 1.00 0.00 C ATOM 0 H MET A 42 -5.222 -7.268 2.497 1.00 0.00 H new ATOM 0 HA MET A 42 -4.263 -9.127 0.541 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.471 -6.294 0.469 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.314 -7.296 -0.960 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.737 -9.055 0.081 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.843 -8.122 1.560 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.525 -7.332 -2.571 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.137 -6.273 -2.223 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.965 -8.040 -2.089 1.00 0.00 H new ATOM 676 N ILE A 43 -2.514 -6.376 0.753 1.00 0.00 N ATOM 677 CA ILE A 43 -1.244 -5.767 0.269 1.00 0.00 C ATOM 678 C ILE A 43 -0.042 -6.303 1.056 1.00 0.00 C ATOM 679 O ILE A 43 1.068 -6.334 0.563 1.00 0.00 O ATOM 680 CB ILE A 43 -1.414 -4.264 0.498 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.408 -3.964 1.996 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.735 -3.792 -0.105 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.271 -2.454 2.201 1.00 0.00 C ATOM 0 H ILE A 43 -2.992 -5.856 1.488 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.053 -6.004 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.588 -3.739 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.328 -4.324 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.583 -4.486 2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.849 -2.721 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.739 -3.995 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.561 -4.323 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.266 -2.231 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.339 -2.109 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.111 -1.945 1.728 1.00 0.00 H new ATOM 695 N ILE A 44 -0.246 -6.735 2.270 1.00 0.00 N ATOM 696 CA ILE A 44 0.900 -7.264 3.063 1.00 0.00 C ATOM 697 C ILE A 44 1.416 -8.542 2.402 1.00 0.00 C ATOM 698 O ILE A 44 2.606 -8.769 2.316 1.00 0.00 O ATOM 699 CB ILE A 44 0.336 -7.535 4.470 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.409 -7.224 5.514 1.00 0.00 C ATOM 701 CG2 ILE A 44 -0.083 -9.001 4.611 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.741 -6.749 6.807 1.00 0.00 C ATOM 0 H ILE A 44 -1.149 -6.745 2.744 1.00 0.00 H new ATOM 0 HA ILE A 44 1.740 -6.572 3.116 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.537 -6.900 4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.011 -8.112 5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.085 -6.456 5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.479 -9.172 5.612 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.851 -9.233 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.782 -9.644 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.506 -6.527 7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.158 -5.850 6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.083 -7.531 7.185 1.00 0.00 H new ATOM 714 N ASN A 45 0.530 -9.370 1.918 1.00 0.00 N ATOM 715 CA ASN A 45 0.989 -10.619 1.248 1.00 0.00 C ATOM 716 C ASN A 45 2.076 -10.275 0.225 1.00 0.00 C ATOM 717 O ASN A 45 2.885 -11.104 -0.145 1.00 0.00 O ATOM 718 CB ASN A 45 -0.253 -11.179 0.552 1.00 0.00 C ATOM 719 CG ASN A 45 -0.017 -12.646 0.189 1.00 0.00 C ATOM 720 OD1 ASN A 45 0.806 -12.951 -0.651 1.00 0.00 O ATOM 721 ND2 ASN A 45 -0.707 -13.576 0.792 1.00 0.00 N ATOM 0 H ASN A 45 -0.481 -9.238 1.957 1.00 0.00 H new ATOM 0 HA ASN A 45 1.414 -11.341 1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.120 -11.090 1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.471 -10.602 -0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.555 -14.557 0.558 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.398 -13.322 1.497 1.00 0.00 H new ATOM 728 N ASP A 46 2.101 -9.047 -0.228 1.00 0.00 N ATOM 729 CA ASP A 46 3.131 -8.626 -1.221 1.00 0.00 C ATOM 730 C ASP A 46 4.269 -7.884 -0.512 1.00 0.00 C ATOM 731 O ASP A 46 4.041 -7.175 0.451 1.00 0.00 O ATOM 732 CB ASP A 46 2.393 -7.687 -2.175 1.00 0.00 C ATOM 733 CG ASP A 46 3.213 -7.497 -3.452 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.045 -6.606 -3.472 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.994 -8.246 -4.390 1.00 0.00 O ATOM 0 H ASP A 46 1.447 -8.315 0.050 1.00 0.00 H new ATOM 0 HA ASP A 46 3.577 -9.472 -1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.413 -8.098 -2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.224 -6.724 -1.694 1.00 0.00 H new ATOM 740 N PRO A 47 5.462 -8.069 -1.011 1.00 0.00 N ATOM 741 CA PRO A 47 6.646 -7.408 -0.408 1.00 0.00 C ATOM 742 C PRO A 47 6.536 -5.890 -0.559 1.00 0.00 C ATOM 743 O PRO A 47 7.237 -5.138 0.089 1.00 0.00 O ATOM 744 CB PRO A 47 7.820 -7.976 -1.206 1.00 0.00 C ATOM 745 CG PRO A 47 7.219 -8.417 -2.500 1.00 0.00 C ATOM 746 CD PRO A 47 5.823 -8.883 -2.177 1.00 0.00 C ATOM 0 HA PRO A 47 6.752 -7.591 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.593 -7.224 -1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.289 -8.809 -0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.200 -7.598 -3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.804 -9.221 -2.947 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.140 -8.718 -3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.796 -9.948 -1.949 1.00 0.00 H new ATOM 754 N ARG A 48 5.647 -5.434 -1.397 1.00 0.00 N ATOM 755 CA ARG A 48 5.477 -3.968 -1.578 1.00 0.00 C ATOM 756 C ARG A 48 5.039 -3.331 -0.260 1.00 0.00 C ATOM 757 O ARG A 48 5.251 -2.159 -0.029 1.00 0.00 O ATOM 758 CB ARG A 48 4.403 -3.823 -2.648 1.00 0.00 C ATOM 759 CG ARG A 48 5.029 -4.099 -4.013 1.00 0.00 C ATOM 760 CD ARG A 48 5.088 -2.804 -4.818 1.00 0.00 C ATOM 761 NE ARG A 48 3.745 -2.696 -5.446 1.00 0.00 N ATOM 762 CZ ARG A 48 3.622 -2.195 -6.646 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.429 -1.252 -7.045 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.692 -2.641 -7.446 1.00 0.00 N ATOM 0 H ARG A 48 5.031 -6.016 -1.965 1.00 0.00 H new ATOM 0 HA ARG A 48 6.400 -3.470 -1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.586 -4.519 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.978 -2.819 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.032 -4.508 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.444 -4.846 -4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.297 -1.947 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.876 -2.839 -5.570 1.00 0.00 H new ATOM 0 HE ARG A 48 2.919 -3.013 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.157 -0.905 -6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.333 -0.861 -7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.062 -3.380 -7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.595 -2.250 -8.383 1.00 0.00 H new ATOM 778 N TYR A 49 4.434 -4.095 0.609 1.00 0.00 N ATOM 779 CA TYR A 49 3.998 -3.527 1.916 1.00 0.00 C ATOM 780 C TYR A 49 5.224 -2.975 2.651 1.00 0.00 C ATOM 781 O TYR A 49 5.159 -1.982 3.360 1.00 0.00 O ATOM 782 CB TYR A 49 3.399 -4.714 2.672 1.00 0.00 C ATOM 783 CG TYR A 49 2.582 -4.222 3.838 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.334 -3.640 3.613 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.063 -4.366 5.145 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.560 -3.203 4.689 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.291 -3.925 6.224 1.00 0.00 C ATOM 788 CZ TYR A 49 1.039 -3.344 5.998 1.00 0.00 C ATOM 789 OH TYR A 49 0.277 -2.919 7.063 1.00 0.00 O ATOM 0 H TYR A 49 4.224 -5.084 0.471 1.00 0.00 H new ATOM 0 HA TYR A 49 3.281 -2.712 1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.774 -5.304 2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.195 -5.370 3.026 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.966 -3.527 2.604 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.029 -4.817 5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.407 -2.756 4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.662 -4.033 7.233 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.432 -2.325 6.741 1.00 0.00 H new ATOM 799 N SER A 50 6.354 -3.596 2.456 1.00 0.00 N ATOM 800 CA SER A 50 7.590 -3.106 3.120 1.00 0.00 C ATOM 801 C SER A 50 8.013 -1.784 2.484 1.00 0.00 C ATOM 802 O SER A 50 8.930 -1.128 2.938 1.00 0.00 O ATOM 803 CB SER A 50 8.638 -4.189 2.863 1.00 0.00 C ATOM 804 OG SER A 50 9.855 -3.578 2.457 1.00 0.00 O ATOM 0 H SER A 50 6.473 -4.420 1.866 1.00 0.00 H new ATOM 0 HA SER A 50 7.455 -2.928 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.797 -4.779 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.287 -4.875 2.092 1.00 0.00 H new ATOM 0 HG SER A 50 10.530 -4.270 2.293 1.00 0.00 H new ATOM 810 N ALA A 51 7.326 -1.369 1.454 1.00 0.00 N ATOM 811 CA ALA A 51 7.664 -0.077 0.815 1.00 0.00 C ATOM 812 C ALA A 51 7.486 1.032 1.851 1.00 0.00 C ATOM 813 O ALA A 51 8.100 2.077 1.767 1.00 0.00 O ATOM 814 CB ALA A 51 6.660 0.083 -0.328 1.00 0.00 C ATOM 0 H ALA A 51 6.546 -1.873 1.032 1.00 0.00 H new ATOM 0 HA ALA A 51 8.688 -0.034 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.849 1.021 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.767 -0.748 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.647 0.090 0.075 1.00 0.00 H new ATOM 820 N LEU A 52 6.661 0.806 2.845 1.00 0.00 N ATOM 821 CA LEU A 52 6.473 1.854 3.893 1.00 0.00 C ATOM 822 C LEU A 52 6.825 1.290 5.269 1.00 0.00 C ATOM 823 O LEU A 52 6.293 0.289 5.701 1.00 0.00 O ATOM 824 CB LEU A 52 4.998 2.254 3.833 1.00 0.00 C ATOM 825 CG LEU A 52 4.743 3.085 2.574 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.279 3.500 2.540 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.611 4.343 2.597 1.00 0.00 C ATOM 0 H LEU A 52 6.117 -0.047 2.974 1.00 0.00 H new ATOM 0 HA LEU A 52 7.120 2.715 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.369 1.364 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.730 2.828 4.720 1.00 0.00 H new ATOM 0 HG LEU A 52 4.988 2.489 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.090 4.093 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.649 2.611 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.049 4.094 3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.425 4.930 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.366 4.938 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.663 4.059 2.633 1.00 0.00 H new ATOM 839 N ALA A 53 7.731 1.929 5.950 1.00 0.00 N ATOM 840 CA ALA A 53 8.141 1.440 7.299 1.00 0.00 C ATOM 841 C ALA A 53 7.113 1.841 8.365 1.00 0.00 C ATOM 842 O ALA A 53 6.971 1.186 9.378 1.00 0.00 O ATOM 843 CB ALA A 53 9.484 2.117 7.571 1.00 0.00 C ATOM 0 H ALA A 53 8.209 2.772 5.632 1.00 0.00 H new ATOM 0 HA ALA A 53 8.211 0.353 7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.856 1.809 8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.200 1.827 6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.355 3.199 7.557 1.00 0.00 H new ATOM 849 N LYS A 54 6.410 2.921 8.155 1.00 0.00 N ATOM 850 CA LYS A 54 5.410 3.371 9.170 1.00 0.00 C ATOM 851 C LYS A 54 4.002 2.901 8.803 1.00 0.00 C ATOM 852 O LYS A 54 3.579 2.994 7.670 1.00 0.00 O ATOM 853 CB LYS A 54 5.474 4.899 9.125 1.00 0.00 C ATOM 854 CG LYS A 54 6.498 5.401 10.145 1.00 0.00 C ATOM 855 CD LYS A 54 7.239 6.612 9.576 1.00 0.00 C ATOM 856 CE LYS A 54 8.642 6.190 9.134 1.00 0.00 C ATOM 857 NZ LYS A 54 8.938 7.026 7.938 1.00 0.00 N ATOM 0 H LYS A 54 6.483 3.511 7.326 1.00 0.00 H new ATOM 0 HA LYS A 54 5.628 2.965 10.158 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.749 5.232 8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.493 5.321 9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.997 5.672 11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.207 4.608 10.384 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.688 7.024 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.304 7.398 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.373 6.360 9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.676 5.128 8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.885 6.793 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.231 6.838 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.905 8.032 8.201 1.00 0.00 H new ATOM 871 N LEU A 55 3.255 2.415 9.752 1.00 0.00 N ATOM 872 CA LEU A 55 1.873 1.979 9.427 1.00 0.00 C ATOM 873 C LEU A 55 1.017 3.215 9.147 1.00 0.00 C ATOM 874 O LEU A 55 0.116 3.191 8.331 1.00 0.00 O ATOM 875 CB LEU A 55 1.367 1.233 10.663 1.00 0.00 C ATOM 876 CG LEU A 55 0.695 -0.078 10.234 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.167 0.160 8.988 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.766 -1.121 9.912 1.00 0.00 C ATOM 0 H LEU A 55 3.537 2.302 10.726 1.00 0.00 H new ATOM 0 HA LEU A 55 1.831 1.338 8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.196 1.024 11.339 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.658 1.854 11.210 1.00 0.00 H new ATOM 0 HG LEU A 55 0.064 -0.436 11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.641 -0.775 8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.935 0.900 9.213 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.461 0.524 8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.287 -2.052 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.398 -0.756 9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.377 -1.300 10.797 1.00 0.00 H new ATOM 890 N SER A 56 1.305 4.305 9.809 1.00 0.00 N ATOM 891 CA SER A 56 0.518 5.547 9.574 1.00 0.00 C ATOM 892 C SER A 56 0.623 5.948 8.102 1.00 0.00 C ATOM 893 O SER A 56 -0.361 6.274 7.467 1.00 0.00 O ATOM 894 CB SER A 56 1.166 6.603 10.469 1.00 0.00 C ATOM 895 OG SER A 56 1.174 6.136 11.812 1.00 0.00 O ATOM 0 H SER A 56 2.050 4.387 10.501 1.00 0.00 H new ATOM 0 HA SER A 56 -0.541 5.424 9.801 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.184 6.805 10.135 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.616 7.542 10.401 1.00 0.00 H new ATOM 0 HG SER A 56 1.590 6.809 12.390 1.00 0.00 H new ATOM 901 N GLU A 57 1.804 5.900 7.543 1.00 0.00 N ATOM 902 CA GLU A 57 1.946 6.251 6.104 1.00 0.00 C ATOM 903 C GLU A 57 1.284 5.152 5.271 1.00 0.00 C ATOM 904 O GLU A 57 0.669 5.409 4.255 1.00 0.00 O ATOM 905 CB GLU A 57 3.458 6.350 5.841 1.00 0.00 C ATOM 906 CG GLU A 57 4.031 4.986 5.460 1.00 0.00 C ATOM 907 CD GLU A 57 5.557 5.033 5.550 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.125 6.028 5.131 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.132 4.073 6.036 1.00 0.00 O ATOM 0 H GLU A 57 2.667 5.635 8.017 1.00 0.00 H new ATOM 0 HA GLU A 57 1.465 7.192 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.647 7.066 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.963 6.726 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.640 4.216 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.723 4.720 4.449 1.00 0.00 H new ATOM 916 N LYS A 58 1.386 3.925 5.715 1.00 0.00 N ATOM 917 CA LYS A 58 0.739 2.808 4.970 1.00 0.00 C ATOM 918 C LYS A 58 -0.761 3.077 4.867 1.00 0.00 C ATOM 919 O LYS A 58 -1.379 2.858 3.842 1.00 0.00 O ATOM 920 CB LYS A 58 0.985 1.563 5.823 1.00 0.00 C ATOM 921 CG LYS A 58 2.379 1.004 5.544 1.00 0.00 C ATOM 922 CD LYS A 58 2.490 -0.394 6.154 1.00 0.00 C ATOM 923 CE LYS A 58 3.936 -0.880 6.056 1.00 0.00 C ATOM 924 NZ LYS A 58 4.594 -0.380 7.296 1.00 0.00 N ATOM 0 H LYS A 58 1.888 3.651 6.559 1.00 0.00 H new ATOM 0 HA LYS A 58 1.134 2.694 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.889 1.812 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.231 0.807 5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.558 0.961 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.139 1.660 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.172 -0.374 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.827 -1.084 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.984 -1.967 5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.425 -0.488 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.461 0.136 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.945 0.258 7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.835 -1.184 7.910 1.00 0.00 H new ATOM 938 N LYS A 59 -1.348 3.554 5.929 1.00 0.00 N ATOM 939 CA LYS A 59 -2.810 3.844 5.915 1.00 0.00 C ATOM 940 C LYS A 59 -3.092 5.056 5.023 1.00 0.00 C ATOM 941 O LYS A 59 -4.045 5.077 4.270 1.00 0.00 O ATOM 942 CB LYS A 59 -3.168 4.153 7.369 1.00 0.00 C ATOM 943 CG LYS A 59 -2.493 3.137 8.298 1.00 0.00 C ATOM 944 CD LYS A 59 -3.558 2.397 9.108 1.00 0.00 C ATOM 945 CE LYS A 59 -2.904 1.723 10.316 1.00 0.00 C ATOM 946 NZ LYS A 59 -3.292 2.562 11.483 1.00 0.00 N ATOM 0 H LYS A 59 -0.876 3.757 6.810 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.395 3.013 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.847 5.163 7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.249 4.119 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.908 2.427 7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.800 3.646 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.327 3.094 9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.051 1.651 8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.254 0.698 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.821 1.679 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.880 2.162 12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.939 3.531 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.328 2.580 11.568 1.00 0.00 H new ATOM 960 N GLN A 60 -2.264 6.065 5.097 1.00 0.00 N ATOM 961 CA GLN A 60 -2.483 7.267 4.245 1.00 0.00 C ATOM 962 C GLN A 60 -2.417 6.867 2.772 1.00 0.00 C ATOM 963 O GLN A 60 -3.191 7.325 1.955 1.00 0.00 O ATOM 964 CB GLN A 60 -1.341 8.221 4.593 1.00 0.00 C ATOM 965 CG GLN A 60 -1.720 9.051 5.822 1.00 0.00 C ATOM 966 CD GLN A 60 -2.014 10.491 5.397 1.00 0.00 C ATOM 967 OE1 GLN A 60 -1.108 11.256 5.132 1.00 0.00 O ATOM 968 NE2 GLN A 60 -3.252 10.896 5.319 1.00 0.00 N ATOM 0 H GLN A 60 -1.449 6.107 5.709 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.456 7.728 4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.430 7.656 4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.133 8.878 3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.594 8.619 6.310 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.908 9.034 6.549 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.013 10.255 5.541 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.458 11.854 5.036 1.00 0.00 H new ATOM 977 N ALA A 61 -1.500 6.002 2.430 1.00 0.00 N ATOM 978 CA ALA A 61 -1.388 5.558 1.015 1.00 0.00 C ATOM 979 C ALA A 61 -2.591 4.684 0.656 1.00 0.00 C ATOM 980 O ALA A 61 -3.098 4.730 -0.447 1.00 0.00 O ATOM 981 CB ALA A 61 -0.092 4.750 0.952 1.00 0.00 C ATOM 0 H ALA A 61 -0.825 5.585 3.071 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.374 6.391 0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.061 4.387 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.746 5.384 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.158 3.902 1.634 1.00 0.00 H new ATOM 987 N PHE A 62 -3.060 3.895 1.586 1.00 0.00 N ATOM 988 CA PHE A 62 -4.240 3.030 1.298 1.00 0.00 C ATOM 989 C PHE A 62 -5.477 3.910 1.092 1.00 0.00 C ATOM 990 O PHE A 62 -6.246 3.715 0.169 1.00 0.00 O ATOM 991 CB PHE A 62 -4.400 2.150 2.537 1.00 0.00 C ATOM 992 CG PHE A 62 -5.758 1.493 2.514 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.353 1.161 1.291 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.425 1.220 3.713 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.612 0.558 1.266 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.686 0.617 3.690 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.281 0.286 2.466 1.00 0.00 C ATOM 0 H PHE A 62 -2.679 3.812 2.528 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.115 2.430 0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.617 1.392 2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.290 2.751 3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.837 1.372 0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.966 1.475 4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.070 0.301 0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.201 0.406 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.256 -0.179 2.448 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.664 4.892 1.931 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.838 5.793 1.761 1.00 0.00 C ATOM 1009 C ASN A 63 -6.695 6.539 0.437 1.00 0.00 C ATOM 1010 O ASN A 63 -7.631 6.655 -0.331 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.787 6.765 2.942 1.00 0.00 C ATOM 1012 CG ASN A 63 -8.213 7.127 3.364 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.933 7.767 2.624 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -8.655 6.740 4.530 1.00 0.00 N ATOM 0 H ASN A 63 -5.058 5.108 2.723 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.786 5.255 1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.253 6.312 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.239 7.665 2.663 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.604 6.975 4.819 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.051 6.203 5.152 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.517 7.021 0.156 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.293 7.734 -1.131 1.00 0.00 C ATOM 1023 C ALA A 64 -5.586 6.771 -2.279 1.00 0.00 C ATOM 1024 O ALA A 64 -6.124 7.146 -3.302 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.816 8.130 -1.115 1.00 0.00 C ATOM 0 H ALA A 64 -4.700 6.952 0.762 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.933 8.607 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.572 8.662 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.622 8.776 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.200 7.234 -1.040 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.248 5.522 -2.102 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.517 4.516 -3.162 1.00 0.00 C ATOM 1033 C TYR A 65 -7.026 4.423 -3.404 1.00 0.00 C ATOM 1034 O TYR A 65 -7.483 4.350 -4.528 1.00 0.00 O ATOM 1035 CB TYR A 65 -4.972 3.201 -2.596 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.609 2.039 -3.316 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.019 1.539 -4.482 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.790 1.467 -2.824 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.608 0.467 -5.158 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.379 0.394 -3.503 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.786 -0.107 -4.670 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.365 -1.165 -5.342 1.00 0.00 O ATOM 0 H TYR A 65 -4.795 5.157 -1.264 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.054 4.766 -4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.889 3.164 -2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.180 3.139 -1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.109 1.981 -4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.244 1.853 -1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.153 0.081 -6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.290 -0.048 -3.128 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.334 -1.154 -5.196 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.803 4.432 -2.355 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.280 4.349 -2.523 1.00 0.00 C ATOM 1054 C LYS A 66 -9.818 5.656 -3.116 1.00 0.00 C ATOM 1055 O LYS A 66 -10.773 5.662 -3.868 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.831 4.145 -1.113 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.144 2.953 -0.447 1.00 0.00 C ATOM 1058 CD LYS A 66 -9.397 3.006 1.060 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.571 2.092 1.410 1.00 0.00 C ATOM 1060 NZ LYS A 66 -11.656 3.013 1.850 1.00 0.00 N ATOM 0 H LYS A 66 -7.478 4.493 -1.390 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.571 3.544 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.672 5.045 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.907 3.977 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.527 2.020 -0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.073 2.975 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.504 2.693 1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.614 4.029 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.881 1.499 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.304 1.390 2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.287 2.516 2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.239 3.839 2.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.200 3.329 1.022 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.213 6.763 -2.778 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.689 8.071 -3.316 1.00 0.00 C ATOM 1076 C VAL A 67 -9.415 8.157 -4.819 1.00 0.00 C ATOM 1077 O VAL A 67 -10.124 8.818 -5.553 1.00 0.00 O ATOM 1078 CB VAL A 67 -8.879 9.127 -2.564 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.347 10.522 -2.980 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.085 8.952 -1.056 1.00 0.00 C ATOM 0 H VAL A 67 -8.409 6.818 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.762 8.206 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.822 9.010 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.769 11.275 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.202 10.650 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.404 10.638 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.507 9.705 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.142 9.068 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.752 7.958 -0.756 1.00 0.00 H new