USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 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 20 HIS : no HE2:sc= -9.46! C(o=-8.3!,f=-13!) USER MOD Set 1.2: A 83 TYR OH : rot 6:sc= 1.2 USER MOD Single : A 10 SER OG : rot -34:sc= 0.0505 USER MOD Single : A 11 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.48) USER MOD Single : A 14 TYR OH : rot 70:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0404) USER MOD Single : A 37 GLN :FLIP amide:sc= -1.24 F(o=-3.3!,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 43 GLN : amide:sc= -0.0854 K(o=-0.085,f=-1.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= -0.146 (180deg=-0.238) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 58 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.0037) USER MOD Single : A 60 ASN : amide:sc= -1.99 K(o=-2,f=-6.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -12:sc= -3.83! USER MOD Single : A 67 THR OG1 : rot 25:sc= 0.354 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0.626 (180deg=0.597) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= -2.53! (180deg=-2.66!) USER MOD Single : A 77 GLN : amide:sc= 0.129 X(o=0.13,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -152:sc= 0.8 (180deg=0.383) USER MOD Single : A 100 ASN : amide:sc= -0.093 K(o=-0.093,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 9.983 4.330 5.251 1.00 0.00 N ATOM 100 CA SER A 10 10.214 3.348 6.304 1.00 0.00 C ATOM 101 C SER A 10 9.529 3.769 7.600 1.00 0.00 C ATOM 102 O SER A 10 9.008 2.934 8.339 1.00 0.00 O ATOM 103 CB SER A 10 11.715 3.168 6.542 1.00 0.00 C ATOM 104 OG SER A 10 12.313 4.381 6.967 1.00 0.00 O ATOM 0 HA SER A 10 9.788 2.398 5.981 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.877 2.396 7.294 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.193 2.825 5.625 1.00 0.00 H new ATOM 0 HG SER A 10 11.869 5.136 6.528 1.00 0.00 H new ATOM 110 N GLN A 11 9.534 5.071 7.869 1.00 0.00 N ATOM 111 CA GLN A 11 8.914 5.604 9.076 1.00 0.00 C ATOM 112 C GLN A 11 7.409 5.360 9.068 1.00 0.00 C ATOM 113 O GLN A 11 6.798 5.153 10.116 1.00 0.00 O ATOM 114 CB GLN A 11 9.199 7.101 9.202 1.00 0.00 C ATOM 115 CG GLN A 11 10.607 7.414 9.684 1.00 0.00 C ATOM 116 CD GLN A 11 11.064 6.487 10.792 1.00 0.00 C ATOM 117 OE1 GLN A 11 12.002 5.708 10.619 1.00 0.00 O ATOM 118 NE2 GLN A 11 10.403 6.566 11.941 1.00 0.00 N ATOM 0 H GLN A 11 9.960 5.776 7.267 1.00 0.00 H new ATOM 0 HA GLN A 11 9.343 5.086 9.934 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.042 7.575 8.233 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.481 7.542 9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.299 7.340 8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.645 8.444 10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.632 7.226 12.041 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.667 5.967 12.723 1.00 0.00 H new ATOM 127 N ARG A 12 6.816 5.386 7.878 1.00 0.00 N ATOM 128 CA ARG A 12 5.382 5.169 7.734 1.00 0.00 C ATOM 129 C ARG A 12 5.013 3.729 8.077 1.00 0.00 C ATOM 130 O ARG A 12 5.820 2.808 7.950 1.00 0.00 O ATOM 131 CB ARG A 12 4.936 5.495 6.307 1.00 0.00 C ATOM 132 CG ARG A 12 5.174 6.943 5.911 1.00 0.00 C ATOM 133 CD ARG A 12 4.408 7.900 6.811 1.00 0.00 C ATOM 134 NE ARG A 12 4.586 9.292 6.406 1.00 0.00 N ATOM 135 CZ ARG A 12 4.181 10.326 7.135 1.00 0.00 C ATOM 136 NH1 ARG A 12 3.579 10.126 8.299 1.00 0.00 N ATOM 137 NH2 ARG A 12 4.379 11.564 6.699 1.00 0.00 N ATOM 0 H ARG A 12 7.307 5.555 7.000 1.00 0.00 H new ATOM 0 HA ARG A 12 4.868 5.833 8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.467 4.845 5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.874 5.269 6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.240 7.166 5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.869 7.093 4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.348 7.649 6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.743 7.776 7.841 1.00 0.00 H new ATOM 0 HE ARG A 12 5.046 9.480 5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.426 9.176 8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.269 10.922 8.856 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.842 11.722 5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.068 12.358 7.259 1.00 0.00 H new ATOM 151 N PRO A 13 3.764 3.528 8.523 1.00 0.00 N ATOM 152 CA PRO A 13 3.259 2.202 8.893 1.00 0.00 C ATOM 153 C PRO A 13 3.078 1.292 7.684 1.00 0.00 C ATOM 154 O PRO A 13 2.566 1.715 6.647 1.00 0.00 O ATOM 155 CB PRO A 13 1.906 2.506 9.541 1.00 0.00 C ATOM 156 CG PRO A 13 1.483 3.804 8.943 1.00 0.00 C ATOM 157 CD PRO A 13 2.748 4.579 8.699 1.00 0.00 C ATOM 0 HA PRO A 13 3.951 1.671 9.547 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.181 1.719 9.332 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.994 2.579 10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.937 3.646 8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.817 4.345 9.616 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.667 5.212 7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.987 5.232 9.538 1.00 0.00 H new ATOM 165 N TYR A 14 3.502 0.040 7.823 1.00 0.00 N ATOM 166 CA TYR A 14 3.388 -0.929 6.740 1.00 0.00 C ATOM 167 C TYR A 14 2.055 -0.781 6.013 1.00 0.00 C ATOM 168 O TYR A 14 2.015 -0.439 4.831 1.00 0.00 O ATOM 169 CB TYR A 14 3.528 -2.352 7.284 1.00 0.00 C ATOM 170 CG TYR A 14 3.953 -3.361 6.241 1.00 0.00 C ATOM 171 CD1 TYR A 14 5.081 -3.147 5.458 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.226 -4.527 6.037 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.472 -4.065 4.503 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.610 -5.451 5.086 1.00 0.00 C ATOM 175 CZ TYR A 14 4.734 -5.216 4.321 1.00 0.00 C ATOM 176 OH TYR A 14 5.119 -6.134 3.371 1.00 0.00 O ATOM 0 H TYR A 14 3.927 -0.327 8.674 1.00 0.00 H new ATOM 0 HA TYR A 14 4.192 -0.737 6.030 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.256 -2.352 8.095 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.575 -2.664 7.712 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.662 -2.247 5.599 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.345 -4.714 6.633 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.351 -3.883 3.902 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.034 -6.353 4.942 1.00 0.00 H new ATOM 0 HH TYR A 14 5.945 -6.575 3.659 1.00 0.00 H new ATOM 186 N ARG A 15 0.966 -1.039 6.729 1.00 0.00 N ATOM 187 CA ARG A 15 -0.369 -0.935 6.153 1.00 0.00 C ATOM 188 C ARG A 15 -0.430 0.186 5.119 1.00 0.00 C ATOM 189 O ARG A 15 -0.828 -0.032 3.975 1.00 0.00 O ATOM 190 CB ARG A 15 -1.404 -0.685 7.252 1.00 0.00 C ATOM 191 CG ARG A 15 -2.694 -0.062 6.744 1.00 0.00 C ATOM 192 CD ARG A 15 -3.807 -0.169 7.774 1.00 0.00 C ATOM 193 NE ARG A 15 -4.568 -1.407 7.631 1.00 0.00 N ATOM 194 CZ ARG A 15 -5.508 -1.795 8.486 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.801 -1.045 9.540 1.00 0.00 N ATOM 196 NH2 ARG A 15 -6.157 -2.935 8.288 1.00 0.00 N ATOM 0 H ARG A 15 0.982 -1.322 7.709 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.597 -1.878 5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.636 -1.630 7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.968 -0.032 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.522 0.986 6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.000 -0.557 5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.380 -0.120 8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.479 0.683 7.672 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.367 -2.007 6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.304 -0.168 9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.523 -1.345 10.195 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.934 -3.515 7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.878 -3.232 8.945 1.00 0.00 H new ATOM 210 N ASP A 16 -0.033 1.385 5.531 1.00 0.00 N ATOM 211 CA ASP A 16 -0.041 2.540 4.641 1.00 0.00 C ATOM 212 C ASP A 16 0.774 2.262 3.381 1.00 0.00 C ATOM 213 O ASP A 16 0.279 2.413 2.264 1.00 0.00 O ATOM 214 CB ASP A 16 0.514 3.770 5.361 1.00 0.00 C ATOM 215 CG ASP A 16 -0.549 4.508 6.150 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.150 3.893 7.057 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.781 5.701 5.862 1.00 0.00 O ATOM 0 H ASP A 16 0.298 1.582 6.475 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.073 2.734 4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.314 3.463 6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.955 4.447 4.630 1.00 0.00 H new ATOM 222 N ARG A 17 2.025 1.856 3.570 1.00 0.00 N ATOM 223 CA ARG A 17 2.909 1.559 2.450 1.00 0.00 C ATOM 224 C ARG A 17 2.262 0.557 1.497 1.00 0.00 C ATOM 225 O ARG A 17 2.541 0.555 0.298 1.00 0.00 O ATOM 226 CB ARG A 17 4.243 1.007 2.957 1.00 0.00 C ATOM 227 CG ARG A 17 4.902 1.882 4.011 1.00 0.00 C ATOM 228 CD ARG A 17 6.178 1.248 4.543 1.00 0.00 C ATOM 229 NE ARG A 17 7.169 1.046 3.490 1.00 0.00 N ATOM 230 CZ ARG A 17 8.433 0.710 3.725 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.856 0.538 4.969 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.275 0.544 2.713 1.00 0.00 N ATOM 0 H ARG A 17 2.449 1.725 4.488 1.00 0.00 H new ATOM 0 HA ARG A 17 3.090 2.487 1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.081 0.012 3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.924 0.893 2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.130 2.859 3.584 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.207 2.049 4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.601 1.883 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.941 0.290 5.006 1.00 0.00 H new ATOM 0 HE ARG A 17 6.875 1.170 2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.211 0.663 5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.827 0.280 5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.952 0.674 1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.245 0.286 2.894 1.00 0.00 H new ATOM 246 N VAL A 18 1.397 -0.293 2.040 1.00 0.00 N ATOM 247 CA VAL A 18 0.709 -1.300 1.239 1.00 0.00 C ATOM 248 C VAL A 18 -0.441 -0.683 0.451 1.00 0.00 C ATOM 249 O VAL A 18 -0.433 -0.682 -0.781 1.00 0.00 O ATOM 250 CB VAL A 18 0.162 -2.439 2.118 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.685 -3.393 1.290 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.302 -3.180 2.800 1.00 0.00 C ATOM 0 H VAL A 18 1.155 -0.305 3.031 1.00 0.00 H new ATOM 0 HA VAL A 18 1.443 -1.708 0.545 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.473 -2.005 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.063 -4.192 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.523 -2.850 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.077 -3.822 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.897 -3.982 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.964 -3.603 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.863 -2.487 3.427 1.00 0.00 H new ATOM 262 N ILE A 19 -1.429 -0.159 1.169 1.00 0.00 N ATOM 263 CA ILE A 19 -2.585 0.463 0.537 1.00 0.00 C ATOM 264 C ILE A 19 -2.158 1.543 -0.451 1.00 0.00 C ATOM 265 O ILE A 19 -2.669 1.615 -1.569 1.00 0.00 O ATOM 266 CB ILE A 19 -3.532 1.083 1.581 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.924 2.366 2.154 1.00 0.00 C ATOM 268 CG2 ILE A 19 -3.822 0.086 2.692 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.744 2.977 3.269 1.00 0.00 C ATOM 0 H ILE A 19 -1.452 -0.153 2.189 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.114 -0.326 0.002 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.473 1.335 1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.923 2.149 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.814 3.096 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.493 0.539 3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.292 -0.802 2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.889 -0.195 3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.254 3.882 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.738 3.226 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.832 2.264 4.089 1.00 0.00 H new ATOM 281 N HIS A 20 -1.215 2.381 -0.032 1.00 0.00 N ATOM 282 CA HIS A 20 -0.716 3.457 -0.881 1.00 0.00 C ATOM 283 C HIS A 20 -0.249 2.914 -2.228 1.00 0.00 C ATOM 284 O HIS A 20 -0.303 3.610 -3.242 1.00 0.00 O ATOM 285 CB HIS A 20 0.432 4.191 -0.188 1.00 0.00 C ATOM 286 CG HIS A 20 -0.024 5.278 0.737 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.016 5.163 2.111 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.529 6.506 0.478 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.447 6.273 2.657 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.784 7.105 1.688 1.00 0.00 N ATOM 0 H HIS A 20 -0.781 2.336 0.890 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.533 4.158 -1.055 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.025 3.471 0.375 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.087 4.621 -0.945 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.351 4.348 2.625 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.700 6.936 -0.498 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.535 6.467 3.716 1.00 0.00 H new ATOM 298 N LEU A 21 0.211 1.668 -2.230 1.00 0.00 N ATOM 299 CA LEU A 21 0.689 1.031 -3.453 1.00 0.00 C ATOM 300 C LEU A 21 -0.473 0.463 -4.261 1.00 0.00 C ATOM 301 O LEU A 21 -0.585 0.707 -5.464 1.00 0.00 O ATOM 302 CB LEU A 21 1.683 -0.082 -3.116 1.00 0.00 C ATOM 303 CG LEU A 21 3.081 0.371 -2.695 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.916 -0.819 -2.249 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.768 1.109 -3.834 1.00 0.00 C ATOM 0 H LEU A 21 0.263 1.079 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 21 1.191 1.788 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.262 -0.687 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.780 -0.731 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 21 2.982 1.055 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.908 -0.477 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.432 -1.306 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.007 -1.528 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.762 1.424 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.855 0.447 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.180 1.985 -4.107 1.00 0.00 H new ATOM 317 N LEU A 22 -1.338 -0.292 -3.594 1.00 0.00 N ATOM 318 CA LEU A 22 -2.495 -0.893 -4.250 1.00 0.00 C ATOM 319 C LEU A 22 -3.405 0.180 -4.839 1.00 0.00 C ATOM 320 O LEU A 22 -4.094 -0.053 -5.831 1.00 0.00 O ATOM 321 CB LEU A 22 -3.278 -1.754 -3.258 1.00 0.00 C ATOM 322 CG LEU A 22 -2.602 -3.053 -2.816 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.244 -3.582 -1.543 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.672 -4.094 -3.924 1.00 0.00 C ATOM 0 H LEU A 22 -1.261 -0.503 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.134 -1.523 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.483 -1.155 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.241 -2.003 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.553 -2.842 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.750 -4.506 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.141 -2.842 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.301 -3.777 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.186 -5.012 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.715 -4.301 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.165 -3.715 -4.811 1.00 0.00 H new ATOM 336 N ALA A 23 -3.400 1.357 -4.222 1.00 0.00 N ATOM 337 CA ALA A 23 -4.221 2.467 -4.688 1.00 0.00 C ATOM 338 C ALA A 23 -4.019 2.712 -6.179 1.00 0.00 C ATOM 339 O ALA A 23 -4.935 2.519 -6.980 1.00 0.00 O ATOM 340 CB ALA A 23 -3.904 3.727 -3.896 1.00 0.00 C ATOM 0 H ALA A 23 -2.836 1.566 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.267 2.204 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.525 4.548 -4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.107 3.553 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.853 3.983 -4.026 1.00 0.00 H new ATOM 346 N LEU A 24 -2.815 3.138 -6.546 1.00 0.00 N ATOM 347 CA LEU A 24 -2.493 3.410 -7.942 1.00 0.00 C ATOM 348 C LEU A 24 -3.072 2.334 -8.855 1.00 0.00 C ATOM 349 O LEU A 24 -3.758 2.635 -9.831 1.00 0.00 O ATOM 350 CB LEU A 24 -0.977 3.493 -8.129 1.00 0.00 C ATOM 351 CG LEU A 24 -0.279 4.667 -7.444 1.00 0.00 C ATOM 352 CD1 LEU A 24 1.187 4.724 -7.844 1.00 0.00 C ATOM 353 CD2 LEU A 24 -0.977 5.976 -7.784 1.00 0.00 C ATOM 0 H LEU A 24 -2.046 3.302 -5.896 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.939 4.367 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.535 2.568 -7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.765 3.544 -9.197 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.335 4.518 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.667 5.566 -7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.681 3.798 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.265 4.848 -8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.466 6.801 -7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.953 6.131 -8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.012 5.935 -7.446 1.00 0.00 H new ATOM 365 N LYS A 25 -2.791 1.076 -8.529 1.00 0.00 N ATOM 366 CA LYS A 25 -3.286 -0.047 -9.316 1.00 0.00 C ATOM 367 C LYS A 25 -3.260 -1.336 -8.501 1.00 0.00 C ATOM 368 O LYS A 25 -2.694 -1.379 -7.409 1.00 0.00 O ATOM 369 CB LYS A 25 -2.448 -0.216 -10.585 1.00 0.00 C ATOM 370 CG LYS A 25 -1.101 -0.875 -10.341 1.00 0.00 C ATOM 371 CD LYS A 25 -0.408 -1.227 -11.646 1.00 0.00 C ATOM 372 CE LYS A 25 0.669 -2.282 -11.439 1.00 0.00 C ATOM 373 NZ LYS A 25 1.514 -2.457 -12.652 1.00 0.00 N ATOM 0 H LYS A 25 -2.223 0.809 -7.725 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.318 0.164 -9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.010 -0.812 -11.305 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.288 0.763 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.467 -0.205 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.239 -1.778 -9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.144 -1.592 -12.363 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.038 -0.330 -12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.299 -1.998 -10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.202 -3.233 -11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.235 -3.184 -12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.917 -2.753 -13.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.980 -1.557 -12.883 1.00 0.00 H new ATOM 387 N ALA A 26 -3.874 -2.384 -9.040 1.00 0.00 N ATOM 388 CA ALA A 26 -3.918 -3.675 -8.364 1.00 0.00 C ATOM 389 C ALA A 26 -2.541 -4.329 -8.342 1.00 0.00 C ATOM 390 O ALA A 26 -1.841 -4.359 -9.354 1.00 0.00 O ATOM 391 CB ALA A 26 -4.929 -4.590 -9.039 1.00 0.00 C ATOM 0 H ALA A 26 -4.348 -2.364 -9.943 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.229 -3.508 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.951 -5.550 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.918 -4.133 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.643 -4.743 -10.080 1.00 0.00 H new ATOM 397 N TYR A 27 -2.158 -4.852 -7.182 1.00 0.00 N ATOM 398 CA TYR A 27 -0.863 -5.503 -7.027 1.00 0.00 C ATOM 399 C TYR A 27 -1.027 -6.918 -6.480 1.00 0.00 C ATOM 400 O TYR A 27 -1.996 -7.219 -5.784 1.00 0.00 O ATOM 401 CB TYR A 27 0.035 -4.685 -6.098 1.00 0.00 C ATOM 402 CG TYR A 27 0.874 -3.654 -6.819 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.334 -2.431 -7.195 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.207 -3.904 -7.123 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.097 -1.486 -7.855 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.977 -2.965 -7.781 1.00 0.00 C ATOM 407 CZ TYR A 27 2.417 -1.758 -8.145 1.00 0.00 C ATOM 408 OH TYR A 27 3.181 -0.819 -8.801 1.00 0.00 O ATOM 0 H TYR A 27 -2.727 -4.838 -6.335 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.396 -5.565 -8.010 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.586 -4.182 -5.357 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.694 -5.362 -5.555 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.699 -2.215 -6.968 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.648 -4.848 -6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.662 -0.540 -8.142 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.012 -3.175 -8.009 1.00 0.00 H new ATOM 0 HH TYR A 27 4.089 -1.166 -8.928 1.00 0.00 H new ATOM 418 N LYS A 28 -0.070 -7.783 -6.799 1.00 0.00 N ATOM 419 CA LYS A 28 -0.104 -9.166 -6.339 1.00 0.00 C ATOM 420 C LYS A 28 0.746 -9.343 -5.085 1.00 0.00 C ATOM 421 O LYS A 28 1.752 -8.657 -4.901 1.00 0.00 O ATOM 422 CB LYS A 28 0.393 -10.104 -7.441 1.00 0.00 C ATOM 423 CG LYS A 28 -0.443 -10.049 -8.709 1.00 0.00 C ATOM 424 CD LYS A 28 0.393 -10.352 -9.941 1.00 0.00 C ATOM 425 CE LYS A 28 -0.248 -9.791 -11.201 1.00 0.00 C ATOM 426 NZ LYS A 28 0.219 -10.500 -12.424 1.00 0.00 N ATOM 0 H LYS A 28 0.739 -7.550 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.137 -9.416 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.425 -9.850 -7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.397 -11.126 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.261 -10.766 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.893 -9.061 -8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.390 -9.928 -9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.515 -11.430 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.332 -9.874 -11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.015 -8.730 -11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.241 -10.088 -13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.250 -10.399 -12.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.026 -11.508 -12.356 1.00 0.00 H new ATOM 440 N LYS A 29 0.337 -10.270 -4.224 1.00 0.00 N ATOM 441 CA LYS A 29 1.062 -10.540 -2.988 1.00 0.00 C ATOM 442 C LYS A 29 2.564 -10.371 -3.191 1.00 0.00 C ATOM 443 O LYS A 29 3.230 -9.616 -2.482 1.00 0.00 O ATOM 444 CB LYS A 29 0.759 -11.957 -2.495 1.00 0.00 C ATOM 445 CG LYS A 29 1.793 -12.496 -1.522 1.00 0.00 C ATOM 446 CD LYS A 29 1.490 -12.072 -0.094 1.00 0.00 C ATOM 447 CE LYS A 29 2.764 -11.887 0.715 1.00 0.00 C ATOM 448 NZ LYS A 29 3.577 -13.134 0.762 1.00 0.00 N ATOM 0 H LYS A 29 -0.493 -10.847 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 29 0.732 -9.822 -2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.219 -11.964 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.697 -12.626 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.818 -13.584 -1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.783 -12.138 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.925 -11.140 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.860 -12.823 0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.357 -11.083 0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.509 -11.581 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.393 -12.993 1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.993 -13.916 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.913 -13.365 -0.195 1.00 0.00 H new ATOM 462 N PRO A 30 3.113 -11.090 -4.182 1.00 0.00 N ATOM 463 CA PRO A 30 4.543 -11.035 -4.502 1.00 0.00 C ATOM 464 C PRO A 30 4.949 -9.698 -5.113 1.00 0.00 C ATOM 465 O PRO A 30 5.905 -9.066 -4.666 1.00 0.00 O ATOM 466 CB PRO A 30 4.723 -12.165 -5.518 1.00 0.00 C ATOM 467 CG PRO A 30 3.381 -12.329 -6.143 1.00 0.00 C ATOM 468 CD PRO A 30 2.380 -12.011 -5.067 1.00 0.00 C ATOM 0 HA PRO A 30 5.164 -11.141 -3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.478 -11.912 -6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.049 -13.085 -5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.263 -11.660 -6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.245 -13.345 -6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.483 -11.546 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.060 -12.908 -4.537 1.00 0.00 H new ATOM 476 N GLU A 31 4.216 -9.275 -6.138 1.00 0.00 N ATOM 477 CA GLU A 31 4.501 -8.013 -6.811 1.00 0.00 C ATOM 478 C GLU A 31 4.516 -6.857 -5.815 1.00 0.00 C ATOM 479 O GLU A 31 5.546 -6.215 -5.606 1.00 0.00 O ATOM 480 CB GLU A 31 3.464 -7.746 -7.904 1.00 0.00 C ATOM 481 CG GLU A 31 3.932 -6.757 -8.958 1.00 0.00 C ATOM 482 CD GLU A 31 3.183 -6.903 -10.269 1.00 0.00 C ATOM 483 OE1 GLU A 31 3.335 -7.954 -10.925 1.00 0.00 O ATOM 484 OE2 GLU A 31 2.445 -5.966 -10.637 1.00 0.00 O ATOM 0 H GLU A 31 3.421 -9.787 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 31 5.488 -8.089 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.209 -8.688 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.551 -7.368 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.803 -5.742 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.998 -6.898 -9.135 1.00 0.00 H new ATOM 491 N LEU A 32 3.365 -6.596 -5.204 1.00 0.00 N ATOM 492 CA LEU A 32 3.244 -5.517 -4.230 1.00 0.00 C ATOM 493 C LEU A 32 4.501 -5.414 -3.372 1.00 0.00 C ATOM 494 O LEU A 32 5.009 -4.319 -3.124 1.00 0.00 O ATOM 495 CB LEU A 32 2.021 -5.742 -3.339 1.00 0.00 C ATOM 496 CG LEU A 32 1.341 -4.482 -2.802 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.245 -4.848 -1.813 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.363 -3.561 -2.152 1.00 0.00 C ATOM 0 H LEU A 32 2.503 -7.117 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 32 3.121 -4.581 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.286 -6.315 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.322 -6.357 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 32 0.885 -3.953 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.228 -3.939 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.501 -5.468 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.678 -5.399 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.862 -2.669 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.848 -4.081 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.113 -3.272 -2.889 1.00 0.00 H new ATOM 510 N LEU A 33 4.998 -6.560 -2.921 1.00 0.00 N ATOM 511 CA LEU A 33 6.198 -6.600 -2.092 1.00 0.00 C ATOM 512 C LEU A 33 7.384 -5.975 -2.819 1.00 0.00 C ATOM 513 O LEU A 33 7.992 -5.023 -2.331 1.00 0.00 O ATOM 514 CB LEU A 33 6.526 -8.043 -1.704 1.00 0.00 C ATOM 515 CG LEU A 33 5.820 -8.581 -0.459 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.878 -10.100 -0.427 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.439 -7.995 0.801 1.00 0.00 C ATOM 0 H LEU A 33 4.589 -7.474 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 33 6.004 -6.022 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.278 -8.690 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.602 -8.121 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 33 4.774 -8.279 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.371 -10.465 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.387 -10.502 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.919 -10.424 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.924 -8.389 1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.494 -8.266 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.344 -6.909 0.782 1.00 0.00 H new ATOM 529 N ALA A 34 7.706 -6.516 -3.989 1.00 0.00 N ATOM 530 CA ALA A 34 8.816 -6.008 -4.786 1.00 0.00 C ATOM 531 C ALA A 34 8.975 -4.502 -4.609 1.00 0.00 C ATOM 532 O ALA A 34 10.092 -3.990 -4.533 1.00 0.00 O ATOM 533 CB ALA A 34 8.612 -6.351 -6.254 1.00 0.00 C ATOM 0 H ALA A 34 7.214 -7.306 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 34 9.731 -6.487 -4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.448 -5.966 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.557 -7.433 -6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.685 -5.900 -6.608 1.00 0.00 H new ATOM 539 N ARG A 35 7.850 -3.796 -4.546 1.00 0.00 N ATOM 540 CA ARG A 35 7.865 -2.348 -4.381 1.00 0.00 C ATOM 541 C ARG A 35 8.315 -1.966 -2.973 1.00 0.00 C ATOM 542 O ARG A 35 9.191 -1.118 -2.799 1.00 0.00 O ATOM 543 CB ARG A 35 6.477 -1.767 -4.659 1.00 0.00 C ATOM 544 CG ARG A 35 6.162 -1.625 -6.139 1.00 0.00 C ATOM 545 CD ARG A 35 6.967 -0.503 -6.775 1.00 0.00 C ATOM 546 NE ARG A 35 6.456 0.815 -6.405 1.00 0.00 N ATOM 547 CZ ARG A 35 6.955 1.954 -6.871 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.972 1.937 -7.721 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.436 3.113 -6.487 1.00 0.00 N ATOM 0 H ARG A 35 6.917 -4.204 -4.607 1.00 0.00 H new ATOM 0 HA ARG A 35 8.575 -1.933 -5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.725 -2.406 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.400 -0.789 -4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.378 -2.564 -6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.098 -1.429 -6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.010 -0.587 -6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.943 -0.610 -7.860 1.00 0.00 H new ATOM 0 HE ARG A 35 5.673 0.863 -5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.373 1.048 -8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.353 2.813 -8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.653 3.130 -5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.820 3.987 -6.845 1.00 0.00 H new ATOM 563 N LEU A 36 7.710 -2.597 -1.973 1.00 0.00 N ATOM 564 CA LEU A 36 8.047 -2.323 -0.580 1.00 0.00 C ATOM 565 C LEU A 36 9.459 -2.803 -0.258 1.00 0.00 C ATOM 566 O LEU A 36 10.291 -2.033 0.222 1.00 0.00 O ATOM 567 CB LEU A 36 7.041 -3.001 0.351 1.00 0.00 C ATOM 568 CG LEU A 36 5.585 -2.560 0.201 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.643 -3.699 0.561 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.305 -1.340 1.066 1.00 0.00 C ATOM 0 H LEU A 36 6.984 -3.302 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 36 8.005 -1.245 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.092 -4.077 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.350 -2.821 1.381 1.00 0.00 H new ATOM 0 HG LEU A 36 5.413 -2.289 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.611 -3.367 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.826 -4.546 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.816 -4.002 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.264 -1.040 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.495 -1.584 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.956 -0.521 0.761 1.00 0.00 H new ATOM 582 N GLN A 37 9.722 -4.078 -0.528 1.00 0.00 N ATOM 583 CA GLN A 37 11.033 -4.658 -0.268 1.00 0.00 C ATOM 584 C GLN A 37 12.140 -3.790 -0.857 1.00 0.00 C ATOM 585 O GLN A 37 13.203 -3.628 -0.258 1.00 0.00 O ATOM 586 CB GLN A 37 11.113 -6.071 -0.848 1.00 0.00 C ATOM 587 CG GLN A 37 10.223 -7.075 -0.132 1.00 0.00 C ATOM 588 CD GLN A 37 10.950 -7.814 0.974 1.00 0.00 C ATOM 589 OE1 GLN A 37 11.948 -7.166 1.563 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 10.618 -8.955 1.296 1.00 0.00 N flip ATOM 0 H GLN A 37 9.044 -4.728 -0.926 1.00 0.00 H new ATOM 0 HA GLN A 37 11.172 -4.708 0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.835 -6.038 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.146 -6.416 -0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.361 -6.556 0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.840 -7.796 -0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.845 -9.416 0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.116 -9.440 2.042 1.00 0.00 H new ATOM 599 N LYS A 38 11.883 -3.234 -2.037 1.00 0.00 N ATOM 600 CA LYS A 38 12.857 -2.382 -2.709 1.00 0.00 C ATOM 601 C LYS A 38 13.391 -1.313 -1.760 1.00 0.00 C ATOM 602 O LYS A 38 14.601 -1.111 -1.656 1.00 0.00 O ATOM 603 CB LYS A 38 12.224 -1.720 -3.935 1.00 0.00 C ATOM 604 CG LYS A 38 12.371 -2.533 -5.209 1.00 0.00 C ATOM 605 CD LYS A 38 11.386 -2.083 -6.275 1.00 0.00 C ATOM 606 CE LYS A 38 11.697 -0.677 -6.763 1.00 0.00 C ATOM 607 NZ LYS A 38 11.113 -0.414 -8.108 1.00 0.00 N ATOM 0 H LYS A 38 11.009 -3.358 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 38 13.690 -3.007 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.165 -1.553 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.679 -0.741 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.388 -2.436 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.212 -3.589 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.416 -2.776 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.373 -2.114 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.307 0.049 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.777 -0.537 -6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.347 0.555 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.504 -1.091 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.080 -0.522 -8.065 1.00 0.00 H new ATOM 621 N ASP A 39 12.482 -0.634 -1.070 1.00 0.00 N ATOM 622 CA ASP A 39 12.862 0.412 -0.127 1.00 0.00 C ATOM 623 C ASP A 39 13.203 -0.182 1.236 1.00 0.00 C ATOM 624 O ASP A 39 13.874 0.451 2.050 1.00 0.00 O ATOM 625 CB ASP A 39 11.733 1.434 0.016 1.00 0.00 C ATOM 626 CG ASP A 39 11.839 2.559 -0.995 1.00 0.00 C ATOM 627 OD1 ASP A 39 12.802 3.349 -0.905 1.00 0.00 O ATOM 628 OD2 ASP A 39 10.958 2.650 -1.876 1.00 0.00 O ATOM 0 H ASP A 39 11.477 -0.789 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 39 13.748 0.913 -0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.774 0.931 -0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.750 1.851 1.023 1.00 0.00 H new ATOM 633 N GLY A 40 12.735 -1.404 1.477 1.00 0.00 N ATOM 634 CA GLY A 40 13.000 -2.062 2.743 1.00 0.00 C ATOM 635 C GLY A 40 11.735 -2.565 3.411 1.00 0.00 C ATOM 636 O GLY A 40 10.840 -1.782 3.731 1.00 0.00 O ATOM 0 H GLY A 40 12.178 -1.949 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.678 -2.899 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.508 -1.367 3.411 1.00 0.00 H new ATOM 640 N VAL A 41 11.659 -3.875 3.620 1.00 0.00 N ATOM 641 CA VAL A 41 10.494 -4.482 4.253 1.00 0.00 C ATOM 642 C VAL A 41 10.903 -5.360 5.430 1.00 0.00 C ATOM 643 O VAL A 41 11.813 -6.180 5.318 1.00 0.00 O ATOM 644 CB VAL A 41 9.687 -5.328 3.251 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.757 -6.282 3.984 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.905 -4.430 2.304 1.00 0.00 C ATOM 0 H VAL A 41 12.390 -4.537 3.360 1.00 0.00 H new ATOM 0 HA VAL A 41 9.868 -3.665 4.613 1.00 0.00 H new ATOM 0 HB VAL A 41 10.384 -5.922 2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.195 -6.871 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.344 -6.948 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.064 -5.711 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.341 -5.045 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.217 -3.808 2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.596 -3.793 1.753 1.00 0.00 H new ATOM 656 N ASN A 42 10.223 -5.183 6.558 1.00 0.00 N ATOM 657 CA ASN A 42 10.516 -5.960 7.757 1.00 0.00 C ATOM 658 C ASN A 42 9.746 -7.278 7.753 1.00 0.00 C ATOM 659 O ASN A 42 8.541 -7.302 7.502 1.00 0.00 O ATOM 660 CB ASN A 42 10.164 -5.156 9.010 1.00 0.00 C ATOM 661 CG ASN A 42 11.329 -4.320 9.506 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.347 -4.854 9.947 1.00 0.00 O ATOM 663 ND2 ASN A 42 11.184 -3.002 9.436 1.00 0.00 N ATOM 0 H ASN A 42 9.466 -4.509 6.667 1.00 0.00 H new ATOM 0 HA ASN A 42 11.583 -6.182 7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.318 -4.504 8.794 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.847 -5.838 9.799 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.934 -2.389 9.755 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.323 -2.603 9.063 1.00 0.00 H new ATOM 670 N GLN A 43 10.451 -8.369 8.032 1.00 0.00 N ATOM 671 CA GLN A 43 9.833 -9.690 8.061 1.00 0.00 C ATOM 672 C GLN A 43 8.489 -9.647 8.780 1.00 0.00 C ATOM 673 O GLN A 43 7.471 -10.084 8.242 1.00 0.00 O ATOM 674 CB GLN A 43 10.761 -10.695 8.746 1.00 0.00 C ATOM 675 CG GLN A 43 10.260 -12.129 8.678 1.00 0.00 C ATOM 676 CD GLN A 43 11.375 -13.144 8.838 1.00 0.00 C ATOM 677 OE1 GLN A 43 12.497 -12.928 8.380 1.00 0.00 O ATOM 678 NE2 GLN A 43 11.071 -14.259 9.492 1.00 0.00 N ATOM 0 H GLN A 43 11.449 -8.365 8.241 1.00 0.00 H new ATOM 0 HA GLN A 43 9.663 -10.007 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.747 -10.641 8.284 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.883 -10.411 9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.515 -12.287 9.458 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.761 -12.291 7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.128 -14.396 9.855 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.781 -14.978 9.631 1.00 0.00 H new ATOM 687 N LYS A 44 8.493 -9.119 9.999 1.00 0.00 N ATOM 688 CA LYS A 44 7.274 -9.018 10.793 1.00 0.00 C ATOM 689 C LYS A 44 6.128 -8.452 9.961 1.00 0.00 C ATOM 690 O LYS A 44 4.973 -8.845 10.128 1.00 0.00 O ATOM 691 CB LYS A 44 7.512 -8.135 12.020 1.00 0.00 C ATOM 692 CG LYS A 44 8.212 -6.826 11.701 1.00 0.00 C ATOM 693 CD LYS A 44 8.071 -5.827 12.837 1.00 0.00 C ATOM 694 CE LYS A 44 8.179 -4.395 12.336 1.00 0.00 C ATOM 695 NZ LYS A 44 7.642 -3.419 13.325 1.00 0.00 N ATOM 0 H LYS A 44 9.327 -8.754 10.459 1.00 0.00 H new ATOM 0 HA LYS A 44 7.000 -10.021 11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.554 -7.919 12.493 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.108 -8.689 12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.268 -7.014 11.510 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.794 -6.402 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.110 -5.969 13.331 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.843 -6.012 13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.223 -4.162 12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.635 -4.297 11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.734 -2.455 12.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.639 -3.625 13.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.178 -3.494 14.213 1.00 0.00 H new ATOM 709 N ASP A 45 6.454 -7.529 9.064 1.00 0.00 N ATOM 710 CA ASP A 45 5.452 -6.910 8.203 1.00 0.00 C ATOM 711 C ASP A 45 5.181 -7.776 6.977 1.00 0.00 C ATOM 712 O ASP A 45 4.032 -7.949 6.567 1.00 0.00 O ATOM 713 CB ASP A 45 5.911 -5.518 7.769 1.00 0.00 C ATOM 714 CG ASP A 45 5.600 -4.456 8.805 1.00 0.00 C ATOM 715 OD1 ASP A 45 4.485 -4.484 9.366 1.00 0.00 O ATOM 716 OD2 ASP A 45 6.470 -3.596 9.054 1.00 0.00 O ATOM 0 H ASP A 45 7.405 -7.192 8.913 1.00 0.00 H new ATOM 0 HA ASP A 45 4.527 -6.817 8.772 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.985 -5.535 7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.427 -5.256 6.828 1.00 0.00 H new ATOM 721 N LYS A 46 6.245 -8.316 6.393 1.00 0.00 N ATOM 722 CA LYS A 46 6.123 -9.164 5.213 1.00 0.00 C ATOM 723 C LYS A 46 5.331 -10.428 5.530 1.00 0.00 C ATOM 724 O LYS A 46 4.704 -11.017 4.650 1.00 0.00 O ATOM 725 CB LYS A 46 7.509 -9.538 4.682 1.00 0.00 C ATOM 726 CG LYS A 46 7.551 -10.888 3.988 1.00 0.00 C ATOM 727 CD LYS A 46 7.860 -12.009 4.966 1.00 0.00 C ATOM 728 CE LYS A 46 9.357 -12.258 5.072 1.00 0.00 C ATOM 729 NZ LYS A 46 9.658 -13.646 5.520 1.00 0.00 N ATOM 0 H LYS A 46 7.202 -8.181 6.718 1.00 0.00 H new ATOM 0 HA LYS A 46 5.587 -8.603 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.841 -8.770 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.217 -9.543 5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.593 -11.080 3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.306 -10.871 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.461 -11.756 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.360 -12.922 4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.824 -12.080 4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.795 -11.547 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.676 -13.736 5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.124 -13.854 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.384 -14.318 4.775 1.00 0.00 H new ATOM 743 N ASN A 47 5.362 -10.838 6.794 1.00 0.00 N ATOM 744 CA ASN A 47 4.645 -12.033 7.228 1.00 0.00 C ATOM 745 C ASN A 47 3.166 -11.730 7.446 1.00 0.00 C ATOM 746 O ASN A 47 2.305 -12.570 7.184 1.00 0.00 O ATOM 747 CB ASN A 47 5.261 -12.582 8.516 1.00 0.00 C ATOM 748 CG ASN A 47 5.042 -14.075 8.670 1.00 0.00 C ATOM 749 OD1 ASN A 47 3.944 -14.522 9.000 1.00 0.00 O ATOM 750 ND2 ASN A 47 6.091 -14.854 8.432 1.00 0.00 N ATOM 0 H ASN A 47 5.875 -10.361 7.535 1.00 0.00 H new ATOM 0 HA ASN A 47 4.731 -12.785 6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 47 6.330 -12.372 8.523 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.829 -12.064 9.372 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.005 -15.866 8.520 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.983 -14.440 8.161 1.00 0.00 H new ATOM 757 N SER A 48 2.879 -10.525 7.926 1.00 0.00 N ATOM 758 CA SER A 48 1.504 -10.112 8.183 1.00 0.00 C ATOM 759 C SER A 48 0.926 -9.371 6.981 1.00 0.00 C ATOM 760 O SER A 48 -0.133 -8.748 7.071 1.00 0.00 O ATOM 761 CB SER A 48 1.440 -9.220 9.425 1.00 0.00 C ATOM 762 OG SER A 48 1.401 -9.998 10.609 1.00 0.00 O ATOM 0 H SER A 48 3.580 -9.817 8.145 1.00 0.00 H new ATOM 0 HA SER A 48 0.908 -11.008 8.357 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.307 -8.560 9.448 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.556 -8.584 9.375 1.00 0.00 H new ATOM 0 HG SER A 48 1.362 -9.405 11.389 1.00 0.00 H new ATOM 768 N LEU A 49 1.628 -9.444 5.856 1.00 0.00 N ATOM 769 CA LEU A 49 1.186 -8.781 4.634 1.00 0.00 C ATOM 770 C LEU A 49 -0.104 -9.404 4.112 1.00 0.00 C ATOM 771 O LEU A 49 -1.155 -8.764 4.100 1.00 0.00 O ATOM 772 CB LEU A 49 2.275 -8.863 3.563 1.00 0.00 C ATOM 773 CG LEU A 49 2.233 -7.786 2.479 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.020 -8.229 1.255 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.794 -7.464 2.102 1.00 0.00 C ATOM 0 H LEU A 49 2.506 -9.956 5.764 1.00 0.00 H new ATOM 0 HA LEU A 49 0.993 -7.734 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.246 -8.816 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.209 -9.838 3.081 1.00 0.00 H new ATOM 0 HG LEU A 49 2.695 -6.882 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.979 -7.450 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.058 -8.408 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.588 -9.147 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.784 -6.695 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.306 -8.363 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.260 -7.102 2.981 1.00 0.00 H new ATOM 787 N GLY A 50 -0.018 -10.660 3.683 1.00 0.00 N ATOM 788 CA GLY A 50 -1.186 -11.350 3.168 1.00 0.00 C ATOM 789 C GLY A 50 -2.455 -10.971 3.905 1.00 0.00 C ATOM 790 O GLY A 50 -3.528 -10.896 3.307 1.00 0.00 O ATOM 0 H GLY A 50 0.840 -11.212 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.302 -11.120 2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.032 -12.426 3.246 1.00 0.00 H new ATOM 794 N ALA A 51 -2.333 -10.732 5.206 1.00 0.00 N ATOM 795 CA ALA A 51 -3.480 -10.358 6.025 1.00 0.00 C ATOM 796 C ALA A 51 -3.942 -8.940 5.707 1.00 0.00 C ATOM 797 O ALA A 51 -5.125 -8.704 5.458 1.00 0.00 O ATOM 798 CB ALA A 51 -3.138 -10.485 7.502 1.00 0.00 C ATOM 0 H ALA A 51 -1.452 -10.791 5.716 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.298 -11.040 5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.003 -10.203 8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.863 -11.516 7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.302 -9.827 7.740 1.00 0.00 H new ATOM 804 N ILE A 52 -3.003 -8.000 5.717 1.00 0.00 N ATOM 805 CA ILE A 52 -3.315 -6.606 5.429 1.00 0.00 C ATOM 806 C ILE A 52 -4.002 -6.464 4.075 1.00 0.00 C ATOM 807 O ILE A 52 -4.991 -5.742 3.941 1.00 0.00 O ATOM 808 CB ILE A 52 -2.048 -5.731 5.443 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.392 -5.767 6.825 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.387 -4.301 5.049 1.00 0.00 C ATOM 811 CD1 ILE A 52 0.007 -5.192 6.845 1.00 0.00 C ATOM 0 H ILE A 52 -2.020 -8.179 5.921 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.991 -6.266 6.214 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.341 -6.130 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.014 -5.213 7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.357 -6.799 7.175 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.481 -3.695 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.814 -4.291 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.109 -3.891 5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.410 -5.250 7.856 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.644 -5.761 6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.023 -4.150 6.526 1.00 0.00 H new ATOM 823 N LEU A 53 -3.474 -7.160 3.075 1.00 0.00 N ATOM 824 CA LEU A 53 -4.037 -7.114 1.730 1.00 0.00 C ATOM 825 C LEU A 53 -5.536 -7.399 1.757 1.00 0.00 C ATOM 826 O LEU A 53 -6.304 -6.803 1.003 1.00 0.00 O ATOM 827 CB LEU A 53 -3.331 -8.125 0.825 1.00 0.00 C ATOM 828 CG LEU A 53 -1.996 -7.675 0.230 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.163 -8.879 -0.183 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.225 -6.750 -0.956 1.00 0.00 C ATOM 0 H LEU A 53 -2.657 -7.763 3.170 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.883 -6.111 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.162 -9.038 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.003 -8.381 0.006 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.447 -7.124 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.217 -8.540 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.969 -9.503 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.706 -9.458 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.264 -6.440 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.794 -7.275 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.781 -5.871 -0.630 1.00 0.00 H new ATOM 842 N GLN A 54 -5.943 -8.313 2.632 1.00 0.00 N ATOM 843 CA GLN A 54 -7.350 -8.675 2.758 1.00 0.00 C ATOM 844 C GLN A 54 -8.075 -7.723 3.704 1.00 0.00 C ATOM 845 O GLN A 54 -9.304 -7.705 3.758 1.00 0.00 O ATOM 846 CB GLN A 54 -7.485 -10.113 3.261 1.00 0.00 C ATOM 847 CG GLN A 54 -8.723 -10.826 2.743 1.00 0.00 C ATOM 848 CD GLN A 54 -9.216 -11.903 3.689 1.00 0.00 C ATOM 849 OE1 GLN A 54 -8.741 -13.039 3.657 1.00 0.00 O ATOM 850 NE2 GLN A 54 -10.174 -11.552 4.539 1.00 0.00 N ATOM 0 H GLN A 54 -5.319 -8.816 3.263 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.809 -8.597 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.601 -10.677 2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.509 -10.107 4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.517 -10.097 2.583 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.501 -11.273 1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.539 -10.600 4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.545 -12.235 5.200 1.00 0.00 H new ATOM 859 N GLN A 55 -7.304 -6.934 4.446 1.00 0.00 N ATOM 860 CA GLN A 55 -7.874 -5.980 5.390 1.00 0.00 C ATOM 861 C GLN A 55 -8.039 -4.608 4.745 1.00 0.00 C ATOM 862 O GLN A 55 -8.848 -3.794 5.190 1.00 0.00 O ATOM 863 CB GLN A 55 -6.990 -5.870 6.633 1.00 0.00 C ATOM 864 CG GLN A 55 -6.975 -7.130 7.483 1.00 0.00 C ATOM 865 CD GLN A 55 -8.158 -7.211 8.427 1.00 0.00 C ATOM 866 OE1 GLN A 55 -9.273 -7.535 8.017 1.00 0.00 O ATOM 867 NE2 GLN A 55 -7.921 -6.918 9.700 1.00 0.00 N ATOM 0 H GLN A 55 -6.285 -6.937 4.412 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.859 -6.343 5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.971 -5.638 6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.336 -5.035 7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.975 -8.004 6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.051 -7.163 8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.981 -6.654 9.996 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.679 -6.957 10.382 1.00 0.00 H new ATOM 876 N VAL A 56 -7.265 -4.357 3.693 1.00 0.00 N ATOM 877 CA VAL A 56 -7.325 -3.084 2.986 1.00 0.00 C ATOM 878 C VAL A 56 -7.650 -3.289 1.511 1.00 0.00 C ATOM 879 O VAL A 56 -8.217 -2.410 0.862 1.00 0.00 O ATOM 880 CB VAL A 56 -5.998 -2.312 3.106 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.632 -2.102 4.567 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.887 -3.046 2.370 1.00 0.00 C ATOM 0 H VAL A 56 -6.589 -5.019 3.312 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.119 -2.501 3.452 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.124 -1.333 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.691 -1.555 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.418 -1.531 5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.523 -3.069 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.956 -2.487 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.759 -4.039 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.148 -3.139 1.316 1.00 0.00 H new ATOM 892 N ALA A 57 -7.288 -4.455 0.988 1.00 0.00 N ATOM 893 CA ALA A 57 -7.543 -4.778 -0.411 1.00 0.00 C ATOM 894 C ALA A 57 -8.340 -6.071 -0.539 1.00 0.00 C ATOM 895 O ALA A 57 -8.643 -6.726 0.457 1.00 0.00 O ATOM 896 CB ALA A 57 -6.232 -4.885 -1.175 1.00 0.00 C ATOM 0 H ALA A 57 -6.817 -5.193 1.512 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.137 -3.972 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.437 -5.127 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.700 -3.935 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.617 -5.670 -0.735 1.00 0.00 H new ATOM 902 N ASN A 58 -8.677 -6.433 -1.773 1.00 0.00 N ATOM 903 CA ASN A 58 -9.441 -7.648 -2.032 1.00 0.00 C ATOM 904 C ASN A 58 -8.753 -8.509 -3.087 1.00 0.00 C ATOM 905 O ASN A 58 -8.367 -8.018 -4.149 1.00 0.00 O ATOM 906 CB ASN A 58 -10.858 -7.297 -2.488 1.00 0.00 C ATOM 907 CG ASN A 58 -11.661 -6.608 -1.402 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.837 -7.146 -0.308 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.154 -5.411 -1.699 1.00 0.00 N ATOM 0 H ASN A 58 -8.433 -5.902 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.496 -8.217 -1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.805 -6.649 -3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.374 -8.207 -2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.703 -4.900 -1.008 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.983 -5.003 -2.618 1.00 0.00 H new ATOM 916 N LEU A 59 -8.603 -9.794 -2.788 1.00 0.00 N ATOM 917 CA LEU A 59 -7.962 -10.725 -3.712 1.00 0.00 C ATOM 918 C LEU A 59 -8.925 -11.144 -4.818 1.00 0.00 C ATOM 919 O LEU A 59 -10.050 -11.563 -4.549 1.00 0.00 O ATOM 920 CB LEU A 59 -7.464 -11.959 -2.958 1.00 0.00 C ATOM 921 CG LEU A 59 -6.250 -12.668 -3.560 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.617 -13.602 -2.540 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.648 -13.435 -4.813 1.00 0.00 C ATOM 0 H LEU A 59 -8.916 -10.216 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.112 -10.219 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.218 -11.662 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.283 -12.675 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.514 -11.914 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.755 -14.098 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.296 -13.028 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.346 -14.351 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.772 -13.933 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.403 -14.179 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.055 -12.742 -5.550 1.00 0.00 H new ATOM 935 N ASN A 60 -8.474 -11.030 -6.063 1.00 0.00 N ATOM 936 CA ASN A 60 -9.295 -11.399 -7.210 1.00 0.00 C ATOM 937 C ASN A 60 -8.815 -12.711 -7.824 1.00 0.00 C ATOM 938 O ASN A 60 -8.026 -12.714 -8.769 1.00 0.00 O ATOM 939 CB ASN A 60 -9.265 -10.290 -8.263 1.00 0.00 C ATOM 940 CG ASN A 60 -10.541 -10.235 -9.082 1.00 0.00 C ATOM 941 OD1 ASN A 60 -10.724 -11.013 -10.018 1.00 0.00 O ATOM 942 ND2 ASN A 60 -11.429 -9.312 -8.732 1.00 0.00 N ATOM 0 H ASN A 60 -7.545 -10.685 -6.303 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.319 -11.534 -6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.111 -9.330 -7.771 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.416 -10.447 -8.928 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.306 -9.227 -9.246 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.235 -8.688 -7.949 1.00 0.00 H new ATOM 949 N SER A 61 -9.296 -13.824 -7.279 1.00 0.00 N ATOM 950 CA SER A 61 -8.913 -15.143 -7.771 1.00 0.00 C ATOM 951 C SER A 61 -8.695 -15.117 -9.280 1.00 0.00 C ATOM 952 O SER A 61 -7.826 -15.814 -9.806 1.00 0.00 O ATOM 953 CB SER A 61 -9.987 -16.173 -7.416 1.00 0.00 C ATOM 954 OG SER A 61 -9.602 -17.473 -7.829 1.00 0.00 O ATOM 0 H SER A 61 -9.951 -13.839 -6.497 1.00 0.00 H new ATOM 0 HA SER A 61 -7.976 -15.426 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.161 -16.166 -6.340 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.929 -15.900 -7.892 1.00 0.00 H new ATOM 0 HG SER A 61 -10.304 -18.114 -7.590 1.00 0.00 H new ATOM 960 N LYS A 62 -9.490 -14.309 -9.973 1.00 0.00 N ATOM 961 CA LYS A 62 -9.385 -14.190 -11.423 1.00 0.00 C ATOM 962 C LYS A 62 -7.925 -14.109 -11.858 1.00 0.00 C ATOM 963 O LYS A 62 -7.424 -14.996 -12.549 1.00 0.00 O ATOM 964 CB LYS A 62 -10.142 -12.953 -11.910 1.00 0.00 C ATOM 965 CG LYS A 62 -10.599 -13.049 -13.355 1.00 0.00 C ATOM 966 CD LYS A 62 -11.840 -13.914 -13.491 1.00 0.00 C ATOM 967 CE LYS A 62 -12.468 -13.775 -14.869 1.00 0.00 C ATOM 968 NZ LYS A 62 -13.645 -14.673 -15.036 1.00 0.00 N ATOM 0 H LYS A 62 -10.215 -13.726 -9.554 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.830 -15.080 -11.868 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.012 -12.795 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.502 -12.078 -11.798 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.807 -12.050 -13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.796 -13.464 -13.965 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.579 -14.957 -13.313 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.566 -13.632 -12.729 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.775 -12.741 -15.025 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.724 -14.005 -15.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.044 -14.548 -15.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.348 -15.662 -14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.366 -14.437 -14.325 1.00 0.00 H new ATOM 982 N ASP A 63 -7.248 -13.042 -11.447 1.00 0.00 N ATOM 983 CA ASP A 63 -5.845 -12.847 -11.793 1.00 0.00 C ATOM 984 C ASP A 63 -4.971 -12.861 -10.542 1.00 0.00 C ATOM 985 O ASP A 63 -3.827 -12.405 -10.567 1.00 0.00 O ATOM 986 CB ASP A 63 -5.661 -11.529 -12.545 1.00 0.00 C ATOM 987 CG ASP A 63 -4.391 -11.506 -13.373 1.00 0.00 C ATOM 988 OD1 ASP A 63 -4.080 -12.535 -14.008 1.00 0.00 O ATOM 989 OD2 ASP A 63 -3.708 -10.460 -13.384 1.00 0.00 O ATOM 0 H ASP A 63 -7.648 -12.299 -10.874 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.537 -13.669 -12.439 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.519 -11.363 -13.197 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.640 -10.706 -11.830 1.00 0.00 H new ATOM 994 N LEU A 64 -5.517 -13.384 -9.450 1.00 0.00 N ATOM 995 CA LEU A 64 -4.788 -13.456 -8.189 1.00 0.00 C ATOM 996 C LEU A 64 -4.151 -12.112 -7.851 1.00 0.00 C ATOM 997 O LEU A 64 -3.061 -12.056 -7.281 1.00 0.00 O ATOM 998 CB LEU A 64 -3.711 -14.540 -8.261 1.00 0.00 C ATOM 999 CG LEU A 64 -4.140 -15.942 -7.827 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.197 -16.990 -8.397 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.191 -16.038 -6.309 1.00 0.00 C ATOM 0 H LEU A 64 -6.463 -13.765 -9.412 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.498 -13.709 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.347 -14.595 -9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.870 -14.231 -7.640 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.140 -16.132 -8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.519 -17.981 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.210 -16.938 -9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.185 -16.803 -8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.498 -17.043 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.204 -15.827 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.908 -15.313 -5.922 1.00 0.00 H new ATOM 1013 N SER A 65 -4.839 -11.031 -8.205 1.00 0.00 N ATOM 1014 CA SER A 65 -4.339 -9.687 -7.941 1.00 0.00 C ATOM 1015 C SER A 65 -5.146 -9.015 -6.834 1.00 0.00 C ATOM 1016 O SER A 65 -6.373 -9.112 -6.798 1.00 0.00 O ATOM 1017 CB SER A 65 -4.395 -8.840 -9.214 1.00 0.00 C ATOM 1018 OG SER A 65 -5.702 -8.339 -9.436 1.00 0.00 O ATOM 0 H SER A 65 -5.744 -11.060 -8.675 1.00 0.00 H new ATOM 0 HA SER A 65 -3.303 -9.769 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.693 -8.010 -9.134 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.082 -9.441 -10.068 1.00 0.00 H new ATOM 0 HG SER A 65 -5.711 -7.800 -10.254 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.448 -8.335 -5.932 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.098 -7.649 -4.821 1.00 0.00 C ATOM 1026 C TYR A 66 -5.504 -6.233 -5.218 1.00 0.00 C ATOM 1027 O TYR A 66 -4.671 -5.428 -5.638 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.168 -7.603 -3.608 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.102 -8.907 -2.846 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.122 -9.281 -1.980 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.019 -9.766 -2.993 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -5.065 -10.471 -1.281 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.955 -10.959 -2.299 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.980 -11.307 -1.444 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.921 -12.494 -0.751 1.00 0.00 O ATOM 0 H TYR A 66 -3.432 -8.244 -5.948 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.998 -8.206 -4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.165 -7.335 -3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.503 -6.814 -2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.974 -8.630 -1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.214 -9.496 -3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.866 -10.745 -0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.107 -11.616 -2.425 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.613 -12.502 -0.057 1.00 0.00 H new ATOM 1045 N THR A 67 -6.792 -5.933 -5.083 1.00 0.00 N ATOM 1046 CA THR A 67 -7.312 -4.616 -5.427 1.00 0.00 C ATOM 1047 C THR A 67 -7.647 -3.813 -4.176 1.00 0.00 C ATOM 1048 O THR A 67 -8.419 -4.261 -3.326 1.00 0.00 O ATOM 1049 CB THR A 67 -8.570 -4.721 -6.309 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.641 -5.312 -5.565 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.291 -5.550 -7.553 1.00 0.00 C ATOM 0 H THR A 67 -7.495 -6.586 -4.737 1.00 0.00 H new ATOM 0 HA THR A 67 -6.529 -4.103 -5.985 1.00 0.00 H new ATOM 0 HB THR A 67 -8.855 -3.716 -6.619 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.496 -5.162 -4.607 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.194 -5.610 -8.160 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.495 -5.081 -8.132 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.983 -6.554 -7.260 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.065 -2.624 -4.067 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.303 -1.757 -2.918 1.00 0.00 C ATOM 1061 C LEU A 68 -8.794 -1.489 -2.738 1.00 0.00 C ATOM 1062 O LEU A 68 -9.474 -1.052 -3.667 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.552 -0.435 -3.088 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.092 0.245 -1.798 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -5.954 1.746 -2.006 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.061 -0.051 -0.663 1.00 0.00 C ATOM 0 H LEU A 68 -6.425 -2.238 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.934 -2.265 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.677 -0.615 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.195 0.258 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.115 -0.155 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.626 2.213 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.220 1.939 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.917 2.162 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.717 0.441 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.052 0.321 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.109 -1.127 -0.497 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.296 -1.752 -1.537 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.705 -1.536 -1.232 1.00 0.00 C ATOM 1080 C LYS A 69 -11.147 -0.140 -1.660 1.00 0.00 C ATOM 1081 O LYS A 69 -10.356 0.633 -2.201 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.960 -1.727 0.265 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.042 -3.184 0.687 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.851 -3.342 2.186 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.496 -4.774 2.555 1.00 0.00 C ATOM 1086 NZ LYS A 69 -10.990 -5.135 3.913 1.00 0.00 N ATOM 0 H LYS A 69 -8.747 -2.116 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.288 -2.269 -1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.163 -1.239 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.891 -1.227 0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.010 -3.594 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.281 -3.760 0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.062 -2.671 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.764 -3.048 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.924 -5.455 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.414 -4.902 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.714 -6.113 4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.575 -4.490 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.027 -5.054 3.938 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.413 0.176 -1.412 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.959 1.480 -1.769 1.00 0.00 C ATOM 1102 C ASP A 70 -12.895 2.439 -0.585 1.00 0.00 C ATOM 1103 O ASP A 70 -12.538 3.608 -0.737 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.405 1.338 -2.248 1.00 0.00 C ATOM 1105 CG ASP A 70 -14.539 0.367 -3.405 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.194 0.749 -4.543 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -14.989 -0.775 -3.173 1.00 0.00 O ATOM 0 H ASP A 70 -13.080 -0.453 -0.965 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.355 1.890 -2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.028 1.000 -1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.782 2.315 -2.552 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.244 1.938 0.595 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.230 2.751 1.805 1.00 0.00 C ATOM 1114 C TYR A 71 -11.812 3.202 2.141 1.00 0.00 C ATOM 1115 O TYR A 71 -11.579 4.366 2.467 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.819 1.966 2.979 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.780 1.246 3.808 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.329 -0.018 3.447 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.249 1.828 4.952 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.380 -0.681 4.202 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.299 1.174 5.712 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.868 -0.080 5.333 1.00 0.00 C ATOM 1123 OH TYR A 71 -9.923 -0.736 6.089 1.00 0.00 O ATOM 0 H TYR A 71 -13.540 0.973 0.739 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.841 3.636 1.625 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.373 2.650 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.534 1.238 2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.727 -0.490 2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.585 2.809 5.253 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.041 -1.664 3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.896 1.642 6.598 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.666 -0.175 6.850 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.866 2.271 2.060 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.470 2.572 2.353 1.00 0.00 C ATOM 1135 C VAL A 72 -9.016 3.835 1.630 1.00 0.00 C ATOM 1136 O VAL A 72 -8.258 4.637 2.175 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.549 1.404 1.953 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.099 1.735 2.272 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -8.978 0.123 2.651 1.00 0.00 C ATOM 0 H VAL A 72 -11.042 1.302 1.794 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.399 2.729 3.429 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.634 1.249 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.463 0.899 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.799 2.626 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.994 1.918 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.316 -0.691 2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.924 0.262 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.002 -0.121 2.367 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.485 4.006 0.398 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.127 5.171 -0.401 1.00 0.00 C ATOM 1151 C PHE A 73 -9.183 6.444 0.438 1.00 0.00 C ATOM 1152 O PHE A 73 -8.356 7.343 0.280 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.064 5.298 -1.604 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.777 4.308 -2.696 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.478 4.088 -3.125 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.805 3.597 -3.293 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.209 3.176 -4.129 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.543 2.684 -4.297 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.243 2.474 -4.716 1.00 0.00 C ATOM 0 H PHE A 73 -10.114 3.352 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.106 5.036 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.093 5.168 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.986 6.307 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.666 4.635 -2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.823 3.758 -2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.192 3.013 -4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.353 2.135 -4.754 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.036 1.762 -5.501 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.165 6.515 1.331 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.331 7.676 2.197 1.00 0.00 C ATOM 1171 C LYS A 74 -9.209 7.751 3.227 1.00 0.00 C ATOM 1172 O LYS A 74 -8.790 8.838 3.624 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.686 7.620 2.905 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.649 6.877 4.229 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.988 6.946 4.945 1.00 0.00 C ATOM 1176 CE LYS A 74 -14.094 6.303 4.122 1.00 0.00 C ATOM 1177 NZ LYS A 74 -13.866 4.844 3.930 1.00 0.00 N ATOM 0 H LYS A 74 -10.859 5.781 1.474 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.290 8.571 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.039 8.637 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.410 7.139 2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.382 5.835 4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.873 7.303 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.912 6.444 5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.241 7.987 5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.052 6.459 4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.154 6.792 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.623 4.450 3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.948 4.694 3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.868 4.368 4.855 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.726 6.588 3.655 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.652 6.524 4.639 1.00 0.00 C ATOM 1193 C GLU A 75 -6.336 7.015 4.042 1.00 0.00 C ATOM 1194 O GLU A 75 -5.486 7.560 4.747 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.488 5.093 5.155 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.742 4.533 5.806 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.444 3.396 6.764 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.625 2.522 6.410 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -9.029 3.380 7.867 1.00 0.00 O ATOM 0 H GLU A 75 -9.061 5.679 3.336 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.918 7.175 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.200 4.447 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.672 5.067 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.255 5.331 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.423 4.181 5.031 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.175 6.817 2.738 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.963 7.238 2.044 1.00 0.00 C ATOM 1208 C LEU A 76 -4.507 8.610 2.530 1.00 0.00 C ATOM 1209 O LEU A 76 -5.280 9.354 3.133 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.203 7.273 0.534 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.485 5.926 -0.133 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.909 6.125 -1.580 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -4.262 5.024 -0.052 1.00 0.00 C ATOM 0 H LEU A 76 -6.869 6.368 2.140 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.177 6.515 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.044 7.937 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.328 7.715 0.058 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.304 5.443 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.105 5.156 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.814 6.732 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.112 6.630 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.481 4.070 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.424 5.501 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.004 4.854 0.993 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.247 8.938 2.261 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.689 10.222 2.669 1.00 0.00 C ATOM 1227 C GLN A 77 -2.236 11.029 1.457 1.00 0.00 C ATOM 1228 O GLN A 77 -1.159 10.792 0.909 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.512 10.009 3.624 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.873 9.207 4.864 1.00 0.00 C ATOM 1231 CD GLN A 77 -0.982 9.530 6.047 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -1.113 10.586 6.668 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -0.069 8.621 6.367 1.00 0.00 N ATOM 0 H GLN A 77 -2.594 8.333 1.763 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.470 10.782 3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.710 9.498 3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.123 10.980 3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.911 9.405 5.131 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.799 8.143 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.005 7.760 5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.559 8.784 7.154 1.00 0.00 H new ATOM 1242 N ARG A 78 -3.064 11.983 1.045 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.749 12.824 -0.104 1.00 0.00 C ATOM 1244 C ARG A 78 -1.308 13.322 -0.034 1.00 0.00 C ATOM 1245 O ARG A 78 -0.713 13.674 -1.052 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.708 14.014 -0.170 1.00 0.00 C ATOM 1247 CG ARG A 78 -5.002 13.713 -0.908 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.646 14.982 -1.444 1.00 0.00 C ATOM 1249 NE ARG A 78 -6.031 15.895 -0.371 1.00 0.00 N ATOM 1250 CZ ARG A 78 -7.174 15.801 0.300 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -8.039 14.839 0.010 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -7.453 16.670 1.263 1.00 0.00 N ATOM 0 H ARG A 78 -3.958 12.193 1.489 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.864 12.222 -1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.944 14.336 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.206 14.848 -0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.801 13.029 -1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.696 13.207 -0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.951 15.485 -2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.526 14.722 -2.032 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.387 16.646 -0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.828 14.169 -0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.916 14.769 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.790 17.411 1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.331 16.597 1.777 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.755 13.348 1.173 1.00 0.00 N ATOM 1267 CA ASP A 79 0.616 13.802 1.376 1.00 0.00 C ATOM 1268 C ASP A 79 1.579 12.619 1.420 1.00 0.00 C ATOM 1269 O ASP A 79 2.636 12.691 2.046 1.00 0.00 O ATOM 1270 CB ASP A 79 0.722 14.610 2.670 1.00 0.00 C ATOM 1271 CG ASP A 79 -0.242 15.780 2.703 1.00 0.00 C ATOM 1272 OD1 ASP A 79 -1.461 15.540 2.820 1.00 0.00 O ATOM 1273 OD2 ASP A 79 0.224 16.935 2.611 1.00 0.00 O ATOM 0 H ASP A 79 -1.235 13.060 2.026 1.00 0.00 H new ATOM 0 HA ASP A 79 0.890 14.440 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.525 13.957 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.741 14.980 2.782 1.00 0.00 H new ATOM 1278 N TRP A 80 1.206 11.534 0.751 1.00 0.00 N ATOM 1279 CA TRP A 80 2.036 10.336 0.715 1.00 0.00 C ATOM 1280 C TRP A 80 3.306 10.578 -0.093 1.00 0.00 C ATOM 1281 O TRP A 80 3.266 10.820 -1.300 1.00 0.00 O ATOM 1282 CB TRP A 80 1.253 9.165 0.119 1.00 0.00 C ATOM 1283 CG TRP A 80 2.023 7.880 0.107 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.429 7.177 -0.991 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.478 7.143 1.248 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.108 6.048 -0.602 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.153 6.004 0.766 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.382 7.335 2.628 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.726 5.064 1.617 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.952 6.401 3.472 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.618 5.277 2.965 1.00 0.00 C ATOM 0 H TRP A 80 0.334 11.459 0.226 1.00 0.00 H new ATOM 0 HA TRP A 80 2.320 10.090 1.738 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.334 9.024 0.689 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.961 9.414 -0.901 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.244 7.466 -2.015 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.513 5.354 -1.231 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.871 8.198 3.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.238 4.197 1.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.883 6.540 4.541 1.00 0.00 H new ATOM 0 HH2 TRP A 80 4.054 4.566 3.651 1.00 0.00 H new ATOM 1302 N PRO A 81 4.462 10.512 0.584 1.00 0.00 N ATOM 1303 CA PRO A 81 5.766 10.721 -0.052 1.00 0.00 C ATOM 1304 C PRO A 81 6.140 9.582 -0.995 1.00 0.00 C ATOM 1305 O PRO A 81 7.194 9.608 -1.628 1.00 0.00 O ATOM 1306 CB PRO A 81 6.734 10.775 1.132 1.00 0.00 C ATOM 1307 CG PRO A 81 6.059 9.998 2.209 1.00 0.00 C ATOM 1308 CD PRO A 81 4.585 10.228 2.024 1.00 0.00 C ATOM 0 HA PRO A 81 5.778 11.618 -0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.699 10.339 0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.922 11.803 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.301 8.938 2.135 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.385 10.332 3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.002 9.353 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.229 11.061 2.630 1.00 0.00 H new ATOM 1316 N GLY A 82 5.268 8.581 -1.082 1.00 0.00 N ATOM 1317 CA GLY A 82 5.525 7.447 -1.950 1.00 0.00 C ATOM 1318 C GLY A 82 4.921 7.623 -3.329 1.00 0.00 C ATOM 1319 O GLY A 82 4.766 6.656 -4.074 1.00 0.00 O ATOM 0 H GLY A 82 4.389 8.536 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.601 7.302 -2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.121 6.544 -1.492 1.00 0.00 H new ATOM 1323 N TYR A 83 4.577 8.860 -3.668 1.00 0.00 N ATOM 1324 CA TYR A 83 3.982 9.159 -4.965 1.00 0.00 C ATOM 1325 C TYR A 83 4.848 10.142 -5.749 1.00 0.00 C ATOM 1326 O TYR A 83 5.005 11.298 -5.356 1.00 0.00 O ATOM 1327 CB TYR A 83 2.576 9.733 -4.785 1.00 0.00 C ATOM 1328 CG TYR A 83 1.585 8.741 -4.219 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.537 7.434 -4.687 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.696 9.112 -3.218 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.633 6.524 -4.173 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.211 8.208 -2.698 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.238 6.916 -3.179 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.141 6.014 -2.664 1.00 0.00 O ATOM 0 H TYR A 83 4.700 9.672 -3.063 1.00 0.00 H new ATOM 0 HA TYR A 83 3.918 8.229 -5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.628 10.599 -4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.212 10.088 -5.749 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.218 7.124 -5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.714 10.123 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.609 5.511 -4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.895 8.512 -1.919 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.967 5.126 -3.040 1.00 0.00 H new ATOM 1344 N SER A 84 5.407 9.672 -6.859 1.00 0.00 N ATOM 1345 CA SER A 84 6.260 10.507 -7.697 1.00 0.00 C ATOM 1346 C SER A 84 5.459 11.644 -8.325 1.00 0.00 C ATOM 1347 O SER A 84 4.229 11.645 -8.287 1.00 0.00 O ATOM 1348 CB SER A 84 6.916 9.664 -8.793 1.00 0.00 C ATOM 1349 OG SER A 84 7.755 8.667 -8.236 1.00 0.00 O ATOM 0 H SER A 84 5.285 8.718 -7.199 1.00 0.00 H new ATOM 0 HA SER A 84 7.037 10.939 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.146 9.195 -9.405 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.499 10.308 -9.452 1.00 0.00 H new ATOM 0 HG SER A 84 8.161 8.141 -8.956 1.00 0.00 H new ATOM 1355 N GLU A 85 6.167 12.609 -8.903 1.00 0.00 N ATOM 1356 CA GLU A 85 5.523 13.752 -9.539 1.00 0.00 C ATOM 1357 C GLU A 85 4.318 13.308 -10.364 1.00 0.00 C ATOM 1358 O GLU A 85 3.391 14.085 -10.596 1.00 0.00 O ATOM 1359 CB GLU A 85 6.519 14.497 -10.430 1.00 0.00 C ATOM 1360 CG GLU A 85 5.887 15.606 -11.254 1.00 0.00 C ATOM 1361 CD GLU A 85 6.901 16.362 -12.090 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.263 15.864 -13.177 1.00 0.00 O ATOM 1363 OE2 GLU A 85 7.333 17.451 -11.658 1.00 0.00 O ATOM 0 H GLU A 85 7.186 12.622 -8.944 1.00 0.00 H new ATOM 0 HA GLU A 85 5.176 14.424 -8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.305 14.922 -9.806 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.997 13.784 -11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.128 15.179 -11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.378 16.303 -10.588 1.00 0.00 H new ATOM 1370 N ILE A 86 4.339 12.055 -10.803 1.00 0.00 N ATOM 1371 CA ILE A 86 3.249 11.507 -11.602 1.00 0.00 C ATOM 1372 C ILE A 86 2.217 10.813 -10.720 1.00 0.00 C ATOM 1373 O ILE A 86 1.040 11.173 -10.723 1.00 0.00 O ATOM 1374 CB ILE A 86 3.768 10.507 -12.651 1.00 0.00 C ATOM 1375 CG1 ILE A 86 5.062 11.022 -13.283 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.711 10.264 -13.719 1.00 0.00 C ATOM 1377 CD1 ILE A 86 4.909 12.362 -13.967 1.00 0.00 C ATOM 0 H ILE A 86 5.098 11.399 -10.619 1.00 0.00 H new ATOM 0 HA ILE A 86 2.779 12.347 -12.114 1.00 0.00 H new ATOM 0 HB ILE A 86 3.980 9.560 -12.155 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.827 11.103 -12.511 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.418 10.291 -14.009 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.092 9.555 -14.454 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.812 9.858 -13.255 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.471 11.205 -14.214 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.866 12.665 -14.392 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.168 12.282 -14.762 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.583 13.106 -13.240 1.00 0.00 H new ATOM 1389 N ASP A 87 2.667 9.817 -9.965 1.00 0.00 N ATOM 1390 CA ASP A 87 1.783 9.073 -9.075 1.00 0.00 C ATOM 1391 C ASP A 87 0.790 10.006 -8.390 1.00 0.00 C ATOM 1392 O ASP A 87 -0.422 9.798 -8.459 1.00 0.00 O ATOM 1393 CB ASP A 87 2.600 8.318 -8.024 1.00 0.00 C ATOM 1394 CG ASP A 87 3.452 7.222 -8.632 1.00 0.00 C ATOM 1395 OD1 ASP A 87 3.870 7.373 -9.799 1.00 0.00 O ATOM 1396 OD2 ASP A 87 3.702 6.212 -7.940 1.00 0.00 O ATOM 0 H ASP A 87 3.638 9.506 -9.951 1.00 0.00 H new ATOM 0 HA ASP A 87 1.225 8.355 -9.676 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.242 9.021 -7.493 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.925 7.883 -7.287 1.00 0.00 H new ATOM 1401 N ARG A 88 1.311 11.035 -7.729 1.00 0.00 N ATOM 1402 CA ARG A 88 0.470 11.999 -7.031 1.00 0.00 C ATOM 1403 C ARG A 88 -0.710 12.423 -7.901 1.00 0.00 C ATOM 1404 O ARG A 88 -1.866 12.314 -7.492 1.00 0.00 O ATOM 1405 CB ARG A 88 1.289 13.228 -6.631 1.00 0.00 C ATOM 1406 CG ARG A 88 2.455 12.908 -5.709 1.00 0.00 C ATOM 1407 CD ARG A 88 3.180 14.171 -5.271 1.00 0.00 C ATOM 1408 NE ARG A 88 2.397 14.949 -4.315 1.00 0.00 N ATOM 1409 CZ ARG A 88 2.920 15.868 -3.511 1.00 0.00 C ATOM 1410 NH1 ARG A 88 4.221 16.123 -3.549 1.00 0.00 N ATOM 1411 NH2 ARG A 88 2.142 16.535 -2.668 1.00 0.00 N ATOM 0 H ARG A 88 2.312 11.222 -7.663 1.00 0.00 H new ATOM 0 HA ARG A 88 0.083 11.520 -6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.670 13.709 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.634 13.947 -6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.091 12.373 -4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.153 12.245 -6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.137 13.903 -4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.399 14.785 -6.145 1.00 0.00 H new ATOM 0 HE ARG A 88 1.393 14.777 -4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.822 15.613 -4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.621 16.829 -2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.141 16.342 -2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.545 17.240 -2.051 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.410 12.907 -9.101 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.445 13.348 -10.028 1.00 0.00 C ATOM 1427 C ARG A 89 -2.272 12.165 -10.523 1.00 0.00 C ATOM 1428 O ARG A 89 -3.405 12.333 -10.973 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.817 14.079 -11.217 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.125 13.153 -12.204 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.171 13.712 -13.618 1.00 0.00 C ATOM 1432 NE ARG A 89 -0.044 12.662 -14.625 1.00 0.00 N ATOM 1433 CZ ARG A 89 -0.280 12.853 -15.919 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -0.652 14.046 -16.359 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -0.142 11.848 -16.774 1.00 0.00 N ATOM 0 H ARG A 89 0.542 13.004 -9.455 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.105 14.033 -9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.593 14.639 -11.739 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.095 14.806 -10.846 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.912 13.008 -11.903 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.603 12.174 -12.183 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.110 14.245 -13.767 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.632 14.438 -13.747 1.00 0.00 H new ATOM 0 HE ARG A 89 0.241 11.732 -14.319 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.758 14.821 -15.704 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.832 14.190 -17.353 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.145 10.929 -16.438 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.323 11.995 -17.767 1.00 0.00 H new ATOM 1449 N SER A 90 -1.696 10.970 -10.438 1.00 0.00 N ATOM 1450 CA SER A 90 -2.378 9.760 -10.881 1.00 0.00 C ATOM 1451 C SER A 90 -3.314 9.235 -9.796 1.00 0.00 C ATOM 1452 O SER A 90 -4.251 8.488 -10.077 1.00 0.00 O ATOM 1453 CB SER A 90 -1.358 8.683 -11.255 1.00 0.00 C ATOM 1454 OG SER A 90 -0.967 8.801 -12.612 1.00 0.00 O ATOM 0 H SER A 90 -0.759 10.814 -10.066 1.00 0.00 H new ATOM 0 HA SER A 90 -2.973 10.009 -11.760 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.482 8.768 -10.612 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.786 7.696 -11.081 1.00 0.00 H new ATOM 0 HG SER A 90 -0.314 8.103 -12.826 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.052 9.632 -8.556 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.870 9.203 -7.427 1.00 0.00 C ATOM 1462 C LEU A 91 -4.993 10.200 -7.157 1.00 0.00 C ATOM 1463 O LEU A 91 -6.132 9.812 -6.903 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.004 9.042 -6.176 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.699 9.306 -4.840 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.067 8.473 -3.736 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.643 10.786 -4.492 1.00 0.00 C ATOM 0 H LEU A 91 -2.280 10.250 -8.307 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.316 8.241 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.607 8.027 -6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.152 9.717 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.745 9.015 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.575 8.674 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.160 7.415 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.012 8.732 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.143 10.955 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.603 11.103 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.143 11.362 -5.270 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.662 11.486 -7.217 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.643 12.539 -6.981 1.00 0.00 C ATOM 1481 C GLU A 92 -6.926 12.271 -7.762 1.00 0.00 C ATOM 1482 O GLU A 92 -7.995 12.769 -7.409 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.068 13.901 -7.374 1.00 0.00 C ATOM 1484 CG GLU A 92 -4.896 14.079 -8.873 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.682 15.527 -9.268 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -3.514 15.968 -9.293 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -5.682 16.220 -9.551 1.00 0.00 O ATOM 0 H GLU A 92 -3.723 11.824 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.880 12.547 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.724 14.686 -6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.101 14.032 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.047 13.485 -9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.778 13.693 -9.384 1.00 0.00 H new ATOM 1494 N SER A 93 -6.811 11.482 -8.825 1.00 0.00 N ATOM 1495 CA SER A 93 -7.961 11.152 -9.660 1.00 0.00 C ATOM 1496 C SER A 93 -8.787 10.036 -9.028 1.00 0.00 C ATOM 1497 O SER A 93 -9.967 10.216 -8.727 1.00 0.00 O ATOM 1498 CB SER A 93 -7.499 10.733 -11.057 1.00 0.00 C ATOM 1499 OG SER A 93 -8.606 10.464 -11.900 1.00 0.00 O ATOM 0 H SER A 93 -5.934 11.059 -9.129 1.00 0.00 H new ATOM 0 HA SER A 93 -8.587 12.041 -9.744 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.888 11.523 -11.494 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.869 9.847 -10.985 1.00 0.00 H new ATOM 0 HG SER A 93 -8.285 10.200 -12.787 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.158 8.881 -8.831 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.834 7.735 -8.234 1.00 0.00 C ATOM 1507 C VAL A 94 -9.749 8.168 -7.095 1.00 0.00 C ATOM 1508 O VAL A 94 -10.906 7.752 -7.021 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.823 6.703 -7.702 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.542 5.578 -6.972 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -6.973 6.154 -8.838 1.00 0.00 C ATOM 0 H VAL A 94 -7.182 8.714 -9.076 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.432 7.275 -9.021 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.162 7.201 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.811 4.858 -6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.102 5.989 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.228 5.080 -7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.264 5.426 -8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.617 5.672 -9.574 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.428 6.970 -9.312 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.225 9.008 -6.209 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.996 9.499 -5.072 1.00 0.00 C ATOM 1523 C LEU A 95 -11.219 10.280 -5.540 1.00 0.00 C ATOM 1524 O LEU A 95 -12.280 10.224 -4.917 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.121 10.385 -4.182 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.843 9.741 -3.644 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.899 10.802 -3.100 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.174 8.717 -2.568 1.00 0.00 C ATOM 0 H LEU A 95 -8.270 9.363 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.336 8.638 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.845 11.275 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.720 10.719 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.344 9.227 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.995 10.325 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.636 11.498 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.389 11.345 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.252 8.269 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.696 9.208 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.811 7.940 -2.989 1.00 0.00 H new ATOM 1540 N SER A 96 -11.066 11.006 -6.643 1.00 0.00 N ATOM 1541 CA SER A 96 -12.158 11.800 -7.194 1.00 0.00 C ATOM 1542 C SER A 96 -13.223 10.901 -7.814 1.00 0.00 C ATOM 1543 O SER A 96 -14.420 11.155 -7.680 1.00 0.00 O ATOM 1544 CB SER A 96 -11.626 12.778 -8.243 1.00 0.00 C ATOM 1545 OG SER A 96 -12.617 13.724 -8.606 1.00 0.00 O ATOM 0 H SER A 96 -10.196 11.061 -7.173 1.00 0.00 H new ATOM 0 HA SER A 96 -12.612 12.364 -6.379 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.750 13.296 -7.851 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.302 12.228 -9.127 1.00 0.00 H new ATOM 0 HG SER A 96 -12.252 14.339 -9.276 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.779 9.849 -8.493 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.693 8.912 -9.136 1.00 0.00 C ATOM 1553 C ARG A 97 -14.471 8.112 -8.095 1.00 0.00 C ATOM 1554 O ARG A 97 -15.697 8.020 -8.156 1.00 0.00 O ATOM 1555 CB ARG A 97 -12.921 7.962 -10.053 1.00 0.00 C ATOM 1556 CG ARG A 97 -11.888 8.659 -10.923 1.00 0.00 C ATOM 1557 CD ARG A 97 -11.671 7.918 -12.233 1.00 0.00 C ATOM 1558 NE ARG A 97 -12.683 8.259 -13.229 1.00 0.00 N ATOM 1559 CZ ARG A 97 -12.623 9.340 -13.998 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -11.604 10.182 -13.886 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -13.583 9.582 -14.881 1.00 0.00 N ATOM 0 H ARG A 97 -11.791 9.624 -8.612 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.402 9.485 -9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.421 7.209 -9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.628 7.436 -10.694 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.214 9.678 -11.130 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.944 8.729 -10.383 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.682 8.156 -12.625 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.691 6.844 -12.049 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.480 7.632 -13.340 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.864 10.000 -13.208 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.560 11.012 -14.478 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.368 8.937 -14.970 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.536 10.413 -15.471 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.750 7.534 -7.141 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.371 6.741 -6.086 1.00 0.00 C ATOM 1577 C LYS A 98 -15.279 7.607 -5.218 1.00 0.00 C ATOM 1578 O LYS A 98 -16.500 7.451 -5.230 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.298 6.079 -5.218 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.471 5.043 -5.959 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.283 3.795 -6.262 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.536 2.858 -7.199 1.00 0.00 C ATOM 1583 NZ LYS A 98 -13.107 1.483 -7.180 1.00 0.00 N ATOM 0 H LYS A 98 -12.734 7.600 -7.076 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.977 5.967 -6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.634 6.849 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.777 5.605 -4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.099 5.471 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.600 4.775 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.513 3.275 -5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.234 4.079 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.574 3.253 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.485 2.819 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.363 0.795 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.485 1.277 -6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.872 1.415 -7.881 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.675 8.521 -4.467 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.429 9.414 -3.593 1.00 0.00 C ATOM 1599 C LEU A 99 -16.413 10.258 -4.397 1.00 0.00 C ATOM 1600 O LEU A 99 -16.059 11.318 -4.912 1.00 0.00 O ATOM 1601 CB LEU A 99 -14.476 10.322 -2.814 1.00 0.00 C ATOM 1602 CG LEU A 99 -13.372 9.618 -2.025 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -12.228 10.577 -1.737 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.926 9.042 -0.731 1.00 0.00 C ATOM 0 H LEU A 99 -13.665 8.664 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.994 8.803 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.009 11.013 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.064 10.922 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.987 8.797 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.451 10.059 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.813 10.942 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.598 11.420 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.126 8.545 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.338 9.846 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.711 8.322 -0.960 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.650 9.782 -4.497 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.685 10.495 -5.236 1.00 0.00 C ATOM 1618 C ASN A 100 -19.869 10.825 -4.332 1.00 0.00 C ATOM 1619 O ASN A 100 -20.655 11.725 -4.627 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.157 9.659 -6.428 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.168 8.601 -6.028 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -21.359 8.883 -5.898 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -19.695 7.376 -5.831 1.00 0.00 N ATOM 0 H ASN A 100 -17.960 8.906 -4.076 1.00 0.00 H new ATOM 0 HA ASN A 100 -18.258 11.429 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.600 10.316 -7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -18.297 9.178 -6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -20.327 6.623 -5.560 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.700 7.188 -5.950 1.00 0.00 H new