USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1004 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 67 GLN : amide:sc= -1.09 K(o=0.16,f=-0.59) USER MOD Set 1.2: A 120 THR OG1 : rot 94:sc= 1.25 USER MOD Set 2.1: A 101 TYR OH : rot -149:sc= 0.0866 USER MOD Set 2.2: A 114 ASN : amide:sc= 0.914 K(o=1,f=-2.4!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 84:sc= 1.36 USER MOD Single : A 15 MET CE :methyl -154:sc= -2.82! (180deg=-6.85!) USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.0662 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0861 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 66:sc= 0.118 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 77:sc= 1.28 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.761 K(o=-0.76,f=-3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -140:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= 0.956 (180deg=0.774) USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 1.64 (180deg=1.58) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 150:sc= -0.0061 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.19) USER MOD Single : A 80 SER OG : rot 78:sc= 1.22 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 173:sc= -0.973 (180deg=-1.05) USER MOD Single : A 89 GLN : amide:sc= 0.433 K(o=0.43,f=-0.45) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.143 F(o=-2.1,f=-0.14) USER MOD Single : A 92 SER OG : rot -166:sc= 0.00799 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 100 HIS : no HD1:sc= -0.0959 X(o=-0.096,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -142:sc= 1.32 (180deg=1.07) USER MOD Single : A 115 LYS NZ :NH3+ 143:sc= 1.08 (180deg=0.113) USER MOD Single : A 122 HIS : no HD1:sc= -0.265 X(o=-0.26,f=-0.47) USER MOD Single : A 124 THR OG1 : rot 61:sc= 0.388 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 10 10.060 14.300 3.798 1.00 0.00 N ATOM 93 CA TYR A 10 8.630 14.544 3.722 1.00 0.00 C ATOM 94 C TYR A 10 8.080 14.325 2.307 1.00 0.00 C ATOM 95 O TYR A 10 7.030 13.703 2.141 1.00 0.00 O ATOM 96 CB TYR A 10 8.393 15.984 4.189 1.00 0.00 C ATOM 97 CG TYR A 10 6.994 16.493 3.952 1.00 0.00 C ATOM 98 CD1 TYR A 10 6.003 16.299 4.929 1.00 0.00 C ATOM 99 CD2 TYR A 10 6.691 17.154 2.748 1.00 0.00 C ATOM 100 CE1 TYR A 10 4.694 16.754 4.705 1.00 0.00 C ATOM 101 CE2 TYR A 10 5.391 17.641 2.536 1.00 0.00 C ATOM 102 CZ TYR A 10 4.383 17.422 3.500 1.00 0.00 C ATOM 103 OH TYR A 10 3.121 17.865 3.264 1.00 0.00 O ATOM 0 HA TYR A 10 8.100 13.836 4.359 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.615 16.049 5.254 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.097 16.640 3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.249 15.799 5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.452 17.286 1.993 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.929 16.594 5.450 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.161 18.185 1.632 1.00 0.00 H new ATOM 0 HH TYR A 10 3.086 18.302 2.388 1.00 0.00 H new ATOM 113 N TRP A 11 8.778 14.814 1.270 1.00 0.00 N ATOM 114 CA TRP A 11 8.252 14.824 -0.097 1.00 0.00 C ATOM 115 C TRP A 11 7.870 13.434 -0.602 1.00 0.00 C ATOM 116 O TRP A 11 6.988 13.311 -1.449 1.00 0.00 O ATOM 117 CB TRP A 11 9.254 15.465 -1.060 1.00 0.00 C ATOM 118 CG TRP A 11 8.641 16.159 -2.239 1.00 0.00 C ATOM 119 CD1 TRP A 11 8.391 17.482 -2.276 1.00 0.00 C ATOM 120 CD2 TRP A 11 8.196 15.644 -3.537 1.00 0.00 C ATOM 121 NE1 TRP A 11 7.922 17.842 -3.517 1.00 0.00 N ATOM 122 CE2 TRP A 11 7.785 16.750 -4.342 1.00 0.00 C ATOM 123 CE3 TRP A 11 8.105 14.367 -4.128 1.00 0.00 C ATOM 124 CZ2 TRP A 11 7.346 16.600 -5.667 1.00 0.00 C ATOM 125 CZ3 TRP A 11 7.660 14.198 -5.454 1.00 0.00 C ATOM 126 CH2 TRP A 11 7.289 15.313 -6.225 1.00 0.00 C ATOM 0 H TRP A 11 9.714 15.209 1.357 1.00 0.00 H new ATOM 0 HA TRP A 11 7.339 15.419 -0.065 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.858 16.184 -0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.932 14.692 -1.423 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.538 18.162 -1.450 1.00 0.00 H new ATOM 0 HE1 TRP A 11 7.703 18.800 -3.792 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.383 13.498 -3.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.056 17.462 -6.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 7.604 13.207 -5.880 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.961 15.180 -7.245 1.00 0.00 H new ATOM 137 N ARG A 12 8.515 12.374 -0.101 1.00 0.00 N ATOM 138 CA ARG A 12 8.169 11.004 -0.466 1.00 0.00 C ATOM 139 C ARG A 12 6.665 10.788 -0.254 1.00 0.00 C ATOM 140 O ARG A 12 6.034 10.146 -1.099 1.00 0.00 O ATOM 141 CB ARG A 12 9.024 10.006 0.327 1.00 0.00 C ATOM 142 CG ARG A 12 10.533 10.222 0.150 1.00 0.00 C ATOM 143 CD ARG A 12 11.074 10.020 -1.275 1.00 0.00 C ATOM 144 NE ARG A 12 11.844 11.168 -1.783 1.00 0.00 N ATOM 145 CZ ARG A 12 13.086 11.498 -1.402 1.00 0.00 C ATOM 146 NH1 ARG A 12 13.693 10.889 -0.383 1.00 0.00 N ATOM 147 NH2 ARG A 12 13.732 12.454 -2.052 1.00 0.00 N ATOM 0 H ARG A 12 9.285 12.445 0.564 1.00 0.00 H new ATOM 0 HA ARG A 12 8.386 10.832 -1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.775 10.085 1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.770 8.993 0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.776 11.235 0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.060 9.541 0.818 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.707 9.133 -1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.238 9.828 -1.948 1.00 0.00 H new ATOM 0 HE ARG A 12 11.396 11.760 -2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.211 10.150 0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.639 11.162 -0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.284 12.931 -2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.678 12.713 -1.770 1.00 0.00 H new ATOM 161 N SER A 13 6.090 11.314 0.834 1.00 0.00 N ATOM 162 CA SER A 13 4.697 11.105 1.209 1.00 0.00 C ATOM 163 C SER A 13 3.764 11.603 0.118 1.00 0.00 C ATOM 164 O SER A 13 2.752 10.973 -0.181 1.00 0.00 O ATOM 165 CB SER A 13 4.412 11.838 2.525 1.00 0.00 C ATOM 166 OG SER A 13 3.256 11.309 3.136 1.00 0.00 O ATOM 0 H SER A 13 6.596 11.909 1.489 1.00 0.00 H new ATOM 0 HA SER A 13 4.522 10.037 1.340 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.265 11.740 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.277 12.903 2.335 1.00 0.00 H new ATOM 0 HG SER A 13 3.495 10.510 3.650 1.00 0.00 H new ATOM 172 N ARG A 14 4.127 12.721 -0.508 1.00 0.00 N ATOM 173 CA ARG A 14 3.324 13.371 -1.529 1.00 0.00 C ATOM 174 C ARG A 14 3.085 12.445 -2.717 1.00 0.00 C ATOM 175 O ARG A 14 2.051 12.563 -3.374 1.00 0.00 O ATOM 176 CB ARG A 14 4.013 14.668 -1.975 1.00 0.00 C ATOM 177 CG ARG A 14 4.454 15.595 -0.828 1.00 0.00 C ATOM 178 CD ARG A 14 3.287 16.065 0.048 1.00 0.00 C ATOM 179 NE ARG A 14 2.366 16.972 -0.663 1.00 0.00 N ATOM 180 CZ ARG A 14 2.617 18.228 -1.064 1.00 0.00 C ATOM 181 NH1 ARG A 14 3.773 18.819 -0.790 1.00 0.00 N ATOM 182 NH2 ARG A 14 1.698 18.894 -1.753 1.00 0.00 N ATOM 0 H ARG A 14 5.003 13.205 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 14 2.349 13.613 -1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.888 14.411 -2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.334 15.218 -2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.180 15.073 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.960 16.465 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.732 15.196 0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.681 16.572 0.928 1.00 0.00 H new ATOM 0 HE ARG A 14 1.438 16.605 -0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.490 18.318 -0.266 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.944 19.774 -1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.807 18.451 -1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.883 19.849 -2.060 1.00 0.00 H new ATOM 196 N MET A 15 4.010 11.517 -2.996 1.00 0.00 N ATOM 197 CA MET A 15 3.822 10.544 -4.066 1.00 0.00 C ATOM 198 C MET A 15 2.659 9.622 -3.718 1.00 0.00 C ATOM 199 O MET A 15 1.813 9.350 -4.567 1.00 0.00 O ATOM 200 CB MET A 15 5.087 9.716 -4.326 1.00 0.00 C ATOM 201 CG MET A 15 6.385 10.532 -4.450 1.00 0.00 C ATOM 202 SD MET A 15 7.483 10.121 -5.835 1.00 0.00 S ATOM 203 CE MET A 15 7.395 8.312 -5.825 1.00 0.00 C ATOM 0 H MET A 15 4.893 11.424 -2.493 1.00 0.00 H new ATOM 0 HA MET A 15 3.602 11.095 -4.980 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.204 8.996 -3.516 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.946 9.144 -5.243 1.00 0.00 H new ATOM 0 HG2 MET A 15 6.117 11.586 -4.530 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.949 10.416 -3.524 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.306 7.901 -6.260 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.291 7.958 -4.799 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.535 7.986 -6.410 1.00 0.00 H new ATOM 213 N ILE A 16 2.634 9.126 -2.478 1.00 0.00 N ATOM 214 CA ILE A 16 1.601 8.224 -1.996 1.00 0.00 C ATOM 215 C ILE A 16 0.271 8.983 -1.948 1.00 0.00 C ATOM 216 O ILE A 16 -0.730 8.506 -2.475 1.00 0.00 O ATOM 217 CB ILE A 16 1.996 7.620 -0.622 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.445 7.074 -0.547 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.011 6.500 -0.248 1.00 0.00 C ATOM 220 CD1 ILE A 16 3.827 6.092 -1.650 1.00 0.00 C ATOM 0 H ILE A 16 3.342 9.346 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 16 1.488 7.379 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 16 1.949 8.446 0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.136 7.917 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.582 6.584 0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.290 6.077 0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.002 6.908 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.042 5.720 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.858 5.769 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.167 5.226 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.729 6.579 -2.620 1.00 0.00 H new ATOM 232 N ASP A 17 0.264 10.185 -1.366 1.00 0.00 N ATOM 233 CA ASP A 17 -0.951 10.979 -1.184 1.00 0.00 C ATOM 234 C ASP A 17 -1.617 11.325 -2.522 1.00 0.00 C ATOM 235 O ASP A 17 -2.842 11.444 -2.599 1.00 0.00 O ATOM 236 CB ASP A 17 -0.649 12.250 -0.370 1.00 0.00 C ATOM 237 CG ASP A 17 -1.268 12.174 1.022 1.00 0.00 C ATOM 238 OD1 ASP A 17 -2.509 12.286 1.134 1.00 0.00 O ATOM 239 OD2 ASP A 17 -0.541 11.969 2.024 1.00 0.00 O ATOM 0 H ASP A 17 1.106 10.636 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.661 10.370 -0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.430 12.382 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.037 13.122 -0.896 1.00 0.00 H new ATOM 244 N ALA A 18 -0.832 11.465 -3.596 1.00 0.00 N ATOM 245 CA ALA A 18 -1.344 11.747 -4.933 1.00 0.00 C ATOM 246 C ALA A 18 -2.138 10.575 -5.528 1.00 0.00 C ATOM 247 O ALA A 18 -2.987 10.794 -6.392 1.00 0.00 O ATOM 248 CB ALA A 18 -0.170 12.102 -5.850 1.00 0.00 C ATOM 0 H ALA A 18 0.184 11.384 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.038 12.584 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.542 12.315 -6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.344 12.981 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.526 11.264 -5.892 1.00 0.00 H new ATOM 254 N VAL A 19 -1.883 9.337 -5.092 1.00 0.00 N ATOM 255 CA VAL A 19 -2.514 8.140 -5.649 1.00 0.00 C ATOM 256 C VAL A 19 -3.593 7.572 -4.720 1.00 0.00 C ATOM 257 O VAL A 19 -4.106 6.486 -4.999 1.00 0.00 O ATOM 258 CB VAL A 19 -1.459 7.102 -6.098 1.00 0.00 C ATOM 259 CG1 VAL A 19 -0.601 7.656 -7.244 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.531 6.606 -4.982 1.00 0.00 C ATOM 0 H VAL A 19 -1.227 9.138 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.046 8.431 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.043 6.243 -6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.134 6.908 -7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.240 7.896 -8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.086 8.557 -6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.174 5.882 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.017 7.450 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.124 6.133 -4.199 1.00 0.00 H new ATOM 270 N THR A 20 -3.987 8.291 -3.661 1.00 0.00 N ATOM 271 CA THR A 20 -4.940 7.817 -2.656 1.00 0.00 C ATOM 272 C THR A 20 -6.205 8.688 -2.551 1.00 0.00 C ATOM 273 O THR A 20 -6.983 8.485 -1.626 1.00 0.00 O ATOM 274 CB THR A 20 -4.217 7.590 -1.311 1.00 0.00 C ATOM 275 OG1 THR A 20 -3.515 8.738 -0.884 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.212 6.430 -1.400 1.00 0.00 C ATOM 0 H THR A 20 -3.645 9.234 -3.478 1.00 0.00 H new ATOM 0 HA THR A 20 -5.327 6.852 -2.985 1.00 0.00 H new ATOM 0 HB THR A 20 -5.001 7.354 -0.591 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.947 8.508 -0.119 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.722 6.299 -0.435 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.737 5.513 -1.668 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.464 6.655 -2.160 1.00 0.00 H new ATOM 284 N SER A 21 -6.433 9.640 -3.466 1.00 0.00 N ATOM 285 CA SER A 21 -7.467 10.673 -3.332 1.00 0.00 C ATOM 286 C SER A 21 -8.857 10.049 -3.159 1.00 0.00 C ATOM 287 O SER A 21 -9.139 9.028 -3.791 1.00 0.00 O ATOM 288 CB SER A 21 -7.432 11.605 -4.555 1.00 0.00 C ATOM 289 OG SER A 21 -6.129 11.699 -5.124 1.00 0.00 O ATOM 0 H SER A 21 -5.897 9.715 -4.331 1.00 0.00 H new ATOM 0 HA SER A 21 -7.259 11.258 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.130 11.239 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.771 12.599 -4.262 1.00 0.00 H new ATOM 0 HG SER A 21 -6.153 12.299 -5.898 1.00 0.00 H new ATOM 295 N ASP A 22 -9.726 10.626 -2.322 1.00 0.00 N ATOM 296 CA ASP A 22 -11.024 10.041 -1.974 1.00 0.00 C ATOM 297 C ASP A 22 -12.075 10.295 -3.080 1.00 0.00 C ATOM 298 O ASP A 22 -13.091 10.971 -2.919 1.00 0.00 O ATOM 299 CB ASP A 22 -11.475 10.422 -0.555 1.00 0.00 C ATOM 300 CG ASP A 22 -12.221 11.748 -0.432 1.00 0.00 C ATOM 301 OD1 ASP A 22 -11.656 12.803 -0.803 1.00 0.00 O ATOM 302 OD2 ASP A 22 -13.355 11.737 0.101 1.00 0.00 O ATOM 0 H ASP A 22 -9.546 11.519 -1.864 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.907 8.958 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.116 9.628 -0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.596 10.460 0.088 1.00 0.00 H new ATOM 307 N GLU A 23 -11.812 9.738 -4.251 1.00 0.00 N ATOM 308 CA GLU A 23 -12.558 9.770 -5.481 1.00 0.00 C ATOM 309 C GLU A 23 -12.526 8.321 -5.955 1.00 0.00 C ATOM 310 O GLU A 23 -11.437 7.745 -6.040 1.00 0.00 O ATOM 311 CB GLU A 23 -11.830 10.704 -6.452 1.00 0.00 C ATOM 312 CG GLU A 23 -12.327 10.480 -7.872 1.00 0.00 C ATOM 313 CD GLU A 23 -11.707 11.455 -8.866 1.00 0.00 C ATOM 314 OE1 GLU A 23 -10.584 11.207 -9.363 1.00 0.00 O ATOM 315 OE2 GLU A 23 -12.348 12.483 -9.180 1.00 0.00 O ATOM 0 H GLU A 23 -10.962 9.186 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.581 10.135 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.994 11.742 -6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.756 10.525 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.097 9.459 -8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.412 10.583 -7.895 1.00 0.00 H new ATOM 322 N ASP A 24 -13.683 7.730 -6.254 1.00 0.00 N ATOM 323 CA ASP A 24 -13.793 6.312 -6.611 1.00 0.00 C ATOM 324 C ASP A 24 -12.908 5.901 -7.788 1.00 0.00 C ATOM 325 O ASP A 24 -12.531 4.732 -7.895 1.00 0.00 O ATOM 326 CB ASP A 24 -15.249 5.956 -6.926 1.00 0.00 C ATOM 327 CG ASP A 24 -15.639 6.161 -8.390 1.00 0.00 C ATOM 328 OD1 ASP A 24 -15.805 7.325 -8.804 1.00 0.00 O ATOM 329 OD2 ASP A 24 -15.857 5.163 -9.113 1.00 0.00 O ATOM 0 H ASP A 24 -14.576 8.223 -6.256 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.440 5.758 -5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.423 4.914 -6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.904 6.561 -6.299 1.00 0.00 H new ATOM 334 N LYS A 25 -12.578 6.854 -8.659 1.00 0.00 N ATOM 335 CA LYS A 25 -11.709 6.664 -9.801 1.00 0.00 C ATOM 336 C LYS A 25 -10.370 6.130 -9.339 1.00 0.00 C ATOM 337 O LYS A 25 -9.610 6.795 -8.633 1.00 0.00 O ATOM 338 CB LYS A 25 -11.567 7.978 -10.552 1.00 0.00 C ATOM 339 CG LYS A 25 -10.837 7.821 -11.898 1.00 0.00 C ATOM 340 CD LYS A 25 -9.324 8.079 -11.855 1.00 0.00 C ATOM 341 CE LYS A 25 -9.026 9.579 -11.893 1.00 0.00 C ATOM 342 NZ LYS A 25 -7.610 9.866 -12.189 1.00 0.00 N ATOM 0 H LYS A 25 -12.925 7.810 -8.579 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.139 5.932 -10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.557 8.399 -10.728 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.024 8.690 -9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.007 6.810 -12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.286 8.505 -12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.902 7.643 -10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.843 7.587 -12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.655 10.052 -12.647 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.291 10.023 -10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.460 10.895 -12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.009 9.439 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.361 9.467 -13.117 1.00 0.00 H new ATOM 356 N VAL A 26 -10.097 4.915 -9.769 1.00 0.00 N ATOM 357 CA VAL A 26 -8.898 4.175 -9.425 1.00 0.00 C ATOM 358 C VAL A 26 -7.683 4.851 -10.079 1.00 0.00 C ATOM 359 O VAL A 26 -7.751 5.253 -11.249 1.00 0.00 O ATOM 360 CB VAL A 26 -9.093 2.691 -9.802 1.00 0.00 C ATOM 361 CG1 VAL A 26 -10.383 2.112 -9.184 1.00 0.00 C ATOM 362 CG2 VAL A 26 -9.140 2.429 -11.313 1.00 0.00 C ATOM 0 H VAL A 26 -10.723 4.398 -10.387 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.706 4.188 -8.352 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.211 2.196 -9.397 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.486 1.066 -9.471 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.331 2.187 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.244 2.674 -9.546 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.279 1.363 -11.493 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.970 2.983 -11.753 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.205 2.755 -11.768 1.00 0.00 H new ATOM 372 N ALA A 27 -6.582 5.021 -9.333 1.00 0.00 N ATOM 373 CA ALA A 27 -5.383 5.638 -9.897 1.00 0.00 C ATOM 374 C ALA A 27 -4.770 4.697 -10.943 1.00 0.00 C ATOM 375 O ALA A 27 -4.838 3.473 -10.773 1.00 0.00 O ATOM 376 CB ALA A 27 -4.347 5.958 -8.814 1.00 0.00 C ATOM 0 H ALA A 27 -6.501 4.744 -8.355 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.673 6.579 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.470 6.415 -9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.779 6.648 -8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.053 5.038 -8.308 1.00 0.00 H new ATOM 382 N PRO A 28 -4.155 5.231 -12.009 1.00 0.00 N ATOM 383 CA PRO A 28 -3.511 4.414 -13.025 1.00 0.00 C ATOM 384 C PRO A 28 -2.199 3.840 -12.500 1.00 0.00 C ATOM 385 O PRO A 28 -1.558 4.416 -11.619 1.00 0.00 O ATOM 386 CB PRO A 28 -3.216 5.361 -14.182 1.00 0.00 C ATOM 387 CG PRO A 28 -3.002 6.691 -13.460 1.00 0.00 C ATOM 388 CD PRO A 28 -3.999 6.645 -12.314 1.00 0.00 C ATOM 0 HA PRO A 28 -4.144 3.577 -13.319 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.333 5.056 -14.744 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.043 5.410 -14.890 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.979 6.789 -13.097 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.189 7.539 -14.119 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.632 7.197 -11.449 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.950 7.095 -12.600 1.00 0.00 H new ATOM 396 N VAL A 29 -1.740 2.757 -13.123 1.00 0.00 N ATOM 397 CA VAL A 29 -0.497 2.104 -12.743 1.00 0.00 C ATOM 398 C VAL A 29 0.709 3.015 -12.910 1.00 0.00 C ATOM 399 O VAL A 29 1.588 2.951 -12.060 1.00 0.00 O ATOM 400 CB VAL A 29 -0.364 0.771 -13.498 1.00 0.00 C ATOM 401 CG1 VAL A 29 1.035 0.142 -13.453 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.349 -0.193 -12.830 1.00 0.00 C ATOM 0 H VAL A 29 -2.221 2.311 -13.904 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.528 1.880 -11.677 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.565 0.961 -14.552 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.031 -0.794 -14.012 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.757 0.827 -13.897 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.312 -0.055 -12.417 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.301 -1.163 -13.325 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.088 -0.309 -11.778 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.360 0.206 -12.911 1.00 0.00 H new ATOM 412 N TYR A 30 0.754 3.893 -13.912 1.00 0.00 N ATOM 413 CA TYR A 30 1.958 4.705 -14.101 1.00 0.00 C ATOM 414 C TYR A 30 2.197 5.652 -12.917 1.00 0.00 C ATOM 415 O TYR A 30 3.343 5.930 -12.571 1.00 0.00 O ATOM 416 CB TYR A 30 1.937 5.466 -15.427 1.00 0.00 C ATOM 417 CG TYR A 30 1.038 6.684 -15.450 1.00 0.00 C ATOM 418 CD1 TYR A 30 1.563 7.933 -15.081 1.00 0.00 C ATOM 419 CD2 TYR A 30 -0.303 6.581 -15.857 1.00 0.00 C ATOM 420 CE1 TYR A 30 0.771 9.090 -15.160 1.00 0.00 C ATOM 421 CE2 TYR A 30 -1.106 7.734 -15.930 1.00 0.00 C ATOM 422 CZ TYR A 30 -0.566 8.997 -15.600 1.00 0.00 C ATOM 423 OH TYR A 30 -1.336 10.118 -15.682 1.00 0.00 O ATOM 0 H TYR A 30 0.003 4.058 -14.582 1.00 0.00 H new ATOM 0 HA TYR A 30 2.799 4.012 -14.142 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.954 5.779 -15.666 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.620 4.784 -16.216 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.583 8.004 -14.734 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.717 5.617 -16.114 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.185 10.049 -14.884 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.138 7.653 -16.239 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.230 9.878 -16.003 1.00 0.00 H new ATOM 433 N LYS A 31 1.141 6.123 -12.243 1.00 0.00 N ATOM 434 CA LYS A 31 1.340 6.931 -11.045 1.00 0.00 C ATOM 435 C LYS A 31 1.800 6.079 -9.862 1.00 0.00 C ATOM 436 O LYS A 31 2.352 6.642 -8.922 1.00 0.00 O ATOM 437 CB LYS A 31 0.096 7.760 -10.692 1.00 0.00 C ATOM 438 CG LYS A 31 -0.256 8.835 -11.731 1.00 0.00 C ATOM 439 CD LYS A 31 -1.101 9.961 -11.118 1.00 0.00 C ATOM 440 CE LYS A 31 -1.399 11.000 -12.206 1.00 0.00 C ATOM 441 NZ LYS A 31 -1.965 12.252 -11.664 1.00 0.00 N ATOM 0 H LYS A 31 0.167 5.962 -12.501 1.00 0.00 H new ATOM 0 HA LYS A 31 2.138 7.638 -11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.755 7.088 -10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.255 8.241 -9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.661 9.253 -12.147 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.802 8.378 -12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.030 9.559 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.568 10.425 -10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.480 11.227 -12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.096 10.574 -12.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.146 12.917 -12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.857 12.045 -11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.291 12.677 -10.996 1.00 0.00 H new ATOM 455 N LEU A 32 1.580 4.761 -9.870 1.00 0.00 N ATOM 456 CA LEU A 32 2.037 3.857 -8.823 1.00 0.00 C ATOM 457 C LEU A 32 3.464 3.381 -9.102 1.00 0.00 C ATOM 458 O LEU A 32 4.229 3.159 -8.165 1.00 0.00 O ATOM 459 CB LEU A 32 1.116 2.631 -8.768 1.00 0.00 C ATOM 460 CG LEU A 32 -0.384 2.886 -8.562 1.00 0.00 C ATOM 461 CD1 LEU A 32 -1.086 1.547 -8.358 1.00 0.00 C ATOM 462 CD2 LEU A 32 -0.701 3.794 -7.381 1.00 0.00 C ATOM 0 H LEU A 32 1.071 4.290 -10.618 1.00 0.00 H new ATOM 0 HA LEU A 32 2.016 4.394 -7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.239 2.075 -9.697 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.462 1.985 -7.961 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.739 3.401 -9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.153 1.714 -8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.935 0.920 -9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.672 1.049 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.780 3.925 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.322 3.343 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.227 4.764 -7.531 1.00 0.00 H new ATOM 474 N GLU A 33 3.833 3.199 -10.372 1.00 0.00 N ATOM 475 CA GLU A 33 5.086 2.561 -10.770 1.00 0.00 C ATOM 476 C GLU A 33 6.295 3.363 -10.300 1.00 0.00 C ATOM 477 O GLU A 33 7.339 2.785 -10.015 1.00 0.00 O ATOM 478 CB GLU A 33 5.098 2.338 -12.292 1.00 0.00 C ATOM 479 CG GLU A 33 5.612 3.499 -13.168 1.00 0.00 C ATOM 480 CD GLU A 33 7.136 3.531 -13.344 1.00 0.00 C ATOM 481 OE1 GLU A 33 7.738 2.448 -13.548 1.00 0.00 O ATOM 482 OE2 GLU A 33 7.728 4.635 -13.431 1.00 0.00 O ATOM 0 H GLU A 33 3.261 3.495 -11.162 1.00 0.00 H new ATOM 0 HA GLU A 33 5.154 1.588 -10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.710 1.460 -12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.082 2.100 -12.607 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.146 3.431 -14.151 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.289 4.442 -12.727 1.00 0.00 H new ATOM 489 N GLU A 34 6.128 4.679 -10.190 1.00 0.00 N ATOM 490 CA GLU A 34 7.148 5.611 -9.744 1.00 0.00 C ATOM 491 C GLU A 34 7.499 5.386 -8.265 1.00 0.00 C ATOM 492 O GLU A 34 8.659 5.474 -7.862 1.00 0.00 O ATOM 493 CB GLU A 34 6.619 7.027 -10.016 1.00 0.00 C ATOM 494 CG GLU A 34 7.502 8.074 -9.326 1.00 0.00 C ATOM 495 CD GLU A 34 7.363 9.466 -9.919 1.00 0.00 C ATOM 496 OE1 GLU A 34 6.227 9.982 -9.952 1.00 0.00 O ATOM 497 OE2 GLU A 34 8.372 10.039 -10.389 1.00 0.00 O ATOM 0 H GLU A 34 5.246 5.137 -10.418 1.00 0.00 H new ATOM 0 HA GLU A 34 8.080 5.459 -10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.597 7.213 -11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.594 7.114 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.248 8.111 -8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.544 7.761 -9.393 1.00 0.00 H new ATOM 504 N ILE A 35 6.512 5.075 -7.430 1.00 0.00 N ATOM 505 CA ILE A 35 6.745 4.725 -6.036 1.00 0.00 C ATOM 506 C ILE A 35 7.573 3.429 -5.996 1.00 0.00 C ATOM 507 O ILE A 35 8.472 3.279 -5.168 1.00 0.00 O ATOM 508 CB ILE A 35 5.375 4.601 -5.329 1.00 0.00 C ATOM 509 CG1 ILE A 35 4.686 5.977 -5.144 1.00 0.00 C ATOM 510 CG2 ILE A 35 5.502 3.866 -3.989 1.00 0.00 C ATOM 511 CD1 ILE A 35 3.904 6.500 -6.345 1.00 0.00 C ATOM 0 H ILE A 35 5.529 5.059 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 35 7.313 5.489 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 35 4.737 4.006 -5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.006 5.910 -4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.449 6.711 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.521 3.796 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.895 2.864 -4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.180 4.415 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.466 7.468 -6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.576 6.610 -7.196 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.111 5.796 -6.597 1.00 0.00 H new ATOM 523 N CYS A 36 7.260 2.498 -6.897 1.00 0.00 N ATOM 524 CA CYS A 36 7.947 1.226 -7.049 1.00 0.00 C ATOM 525 C CYS A 36 9.302 1.352 -7.743 1.00 0.00 C ATOM 526 O CYS A 36 9.975 0.331 -7.900 1.00 0.00 O ATOM 527 CB CYS A 36 7.091 0.274 -7.882 1.00 0.00 C ATOM 528 SG CYS A 36 5.348 0.279 -7.409 1.00 0.00 S ATOM 0 H CYS A 36 6.495 2.617 -7.561 1.00 0.00 H new ATOM 0 HA CYS A 36 8.112 0.849 -6.040 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.175 0.547 -8.934 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.484 -0.738 -7.783 1.00 0.00 H new ATOM 0 HG CYS A 36 4.831 1.443 -7.671 1.00 0.00 H new ATOM 534 N ASP A 37 9.659 2.556 -8.184 1.00 0.00 N ATOM 535 CA ASP A 37 10.963 2.909 -8.713 1.00 0.00 C ATOM 536 C ASP A 37 11.821 3.382 -7.543 1.00 0.00 C ATOM 537 O ASP A 37 12.832 2.751 -7.231 1.00 0.00 O ATOM 538 CB ASP A 37 10.821 4.000 -9.785 1.00 0.00 C ATOM 539 CG ASP A 37 12.143 4.261 -10.496 1.00 0.00 C ATOM 540 OD1 ASP A 37 12.891 3.312 -10.801 1.00 0.00 O ATOM 541 OD2 ASP A 37 12.481 5.447 -10.718 1.00 0.00 O ATOM 0 H ASP A 37 9.013 3.345 -8.180 1.00 0.00 H new ATOM 0 HA ASP A 37 11.436 2.052 -9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.068 3.699 -10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.467 4.922 -9.323 1.00 0.00 H new ATOM 546 N LEU A 38 11.362 4.426 -6.833 1.00 0.00 N ATOM 547 CA LEU A 38 12.108 5.051 -5.744 1.00 0.00 C ATOM 548 C LEU A 38 12.569 4.034 -4.710 1.00 0.00 C ATOM 549 O LEU A 38 13.725 4.062 -4.299 1.00 0.00 O ATOM 550 CB LEU A 38 11.313 6.156 -5.051 1.00 0.00 C ATOM 551 CG LEU A 38 11.373 7.498 -5.809 1.00 0.00 C ATOM 552 CD1 LEU A 38 10.918 8.648 -4.918 1.00 0.00 C ATOM 553 CD2 LEU A 38 12.732 7.918 -6.395 1.00 0.00 C ATOM 0 H LEU A 38 10.455 4.859 -7.005 1.00 0.00 H new ATOM 0 HA LEU A 38 12.985 5.500 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.273 5.844 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.698 6.296 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 38 10.710 7.307 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.970 9.583 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.891 8.474 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.567 8.710 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.629 8.879 -6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.463 8.007 -5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.068 7.167 -7.110 1.00 0.00 H new ATOM 565 N LEU A 39 11.670 3.153 -4.266 1.00 0.00 N ATOM 566 CA LEU A 39 11.978 2.189 -3.215 1.00 0.00 C ATOM 567 C LEU A 39 13.080 1.204 -3.618 1.00 0.00 C ATOM 568 O LEU A 39 13.684 0.583 -2.740 1.00 0.00 O ATOM 569 CB LEU A 39 10.723 1.395 -2.855 1.00 0.00 C ATOM 570 CG LEU A 39 9.655 2.167 -2.079 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.319 1.431 -2.115 1.00 0.00 C ATOM 572 CD2 LEU A 39 10.115 2.284 -0.636 1.00 0.00 C ATOM 0 H LEU A 39 10.717 3.090 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 39 12.336 2.763 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.277 1.017 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.020 0.528 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 39 9.519 3.149 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.575 1.999 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.991 1.322 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.435 0.445 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.369 2.832 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.241 1.288 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.065 2.817 -0.599 1.00 0.00 H new ATOM 584 N ARG A 40 13.331 1.016 -4.919 1.00 0.00 N ATOM 585 CA ARG A 40 14.477 0.260 -5.394 1.00 0.00 C ATOM 586 C ARG A 40 15.708 1.134 -5.185 1.00 0.00 C ATOM 587 O ARG A 40 16.624 0.770 -4.440 1.00 0.00 O ATOM 588 CB ARG A 40 14.303 -0.125 -6.876 1.00 0.00 C ATOM 589 CG ARG A 40 13.030 -0.939 -7.160 1.00 0.00 C ATOM 590 CD ARG A 40 12.853 -1.258 -8.654 1.00 0.00 C ATOM 591 NE ARG A 40 13.800 -2.291 -9.105 1.00 0.00 N ATOM 592 CZ ARG A 40 15.031 -2.086 -9.590 1.00 0.00 C ATOM 593 NH1 ARG A 40 15.392 -0.898 -10.059 1.00 0.00 N ATOM 594 NH2 ARG A 40 15.912 -3.079 -9.579 1.00 0.00 N ATOM 0 H ARG A 40 12.742 1.386 -5.664 1.00 0.00 H new ATOM 0 HA ARG A 40 14.581 -0.675 -4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.284 0.783 -7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.171 -0.702 -7.196 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.065 -1.871 -6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.162 -0.384 -6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.833 -1.595 -8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.998 -0.350 -9.240 1.00 0.00 H new ATOM 0 HE ARG A 40 13.487 -3.260 -9.042 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.728 -0.124 -10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.334 -0.759 -10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.649 -3.990 -9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.852 -2.931 -9.947 1.00 0.00 H new ATOM 608 N SER A 41 15.719 2.300 -5.824 1.00 0.00 N ATOM 609 CA SER A 41 16.861 3.186 -5.928 1.00 0.00 C ATOM 610 C SER A 41 17.283 3.889 -4.626 1.00 0.00 C ATOM 611 O SER A 41 18.268 4.636 -4.674 1.00 0.00 O ATOM 612 CB SER A 41 16.555 4.187 -7.047 1.00 0.00 C ATOM 613 OG SER A 41 16.521 3.490 -8.284 1.00 0.00 O ATOM 0 H SER A 41 14.894 2.664 -6.302 1.00 0.00 H new ATOM 0 HA SER A 41 17.734 2.576 -6.158 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.599 4.678 -6.864 1.00 0.00 H new ATOM 0 HB3 SER A 41 17.315 4.968 -7.074 1.00 0.00 H new ATOM 0 HG SER A 41 16.324 4.119 -9.009 1.00 0.00 H new ATOM 619 N SER A 42 16.633 3.652 -3.482 1.00 0.00 N ATOM 620 CA SER A 42 16.862 4.410 -2.256 1.00 0.00 C ATOM 621 C SER A 42 17.159 3.559 -1.014 1.00 0.00 C ATOM 622 O SER A 42 16.886 2.357 -0.968 1.00 0.00 O ATOM 623 CB SER A 42 15.652 5.317 -2.041 1.00 0.00 C ATOM 624 OG SER A 42 15.834 6.498 -2.807 1.00 0.00 O ATOM 0 H SER A 42 15.928 2.922 -3.384 1.00 0.00 H new ATOM 0 HA SER A 42 17.775 4.990 -2.389 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.737 4.807 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.546 5.563 -0.984 1.00 0.00 H new ATOM 0 HG SER A 42 15.064 7.091 -2.681 1.00 0.00 H new ATOM 630 N HIS A 43 17.733 4.231 -0.006 1.00 0.00 N ATOM 631 CA HIS A 43 18.182 3.704 1.276 1.00 0.00 C ATOM 632 C HIS A 43 17.000 3.237 2.131 1.00 0.00 C ATOM 633 O HIS A 43 15.867 3.674 1.934 1.00 0.00 O ATOM 634 CB HIS A 43 19.003 4.795 1.999 1.00 0.00 C ATOM 635 CG HIS A 43 19.784 4.299 3.186 1.00 0.00 C ATOM 636 ND1 HIS A 43 19.780 4.823 4.461 1.00 0.00 N ATOM 637 CD2 HIS A 43 20.704 3.292 3.151 1.00 0.00 C ATOM 638 CE1 HIS A 43 20.654 4.113 5.193 1.00 0.00 C ATOM 639 NE2 HIS A 43 21.235 3.161 4.439 1.00 0.00 N ATOM 0 H HIS A 43 17.905 5.234 -0.079 1.00 0.00 H new ATOM 0 HA HIS A 43 18.811 2.829 1.108 1.00 0.00 H new ATOM 0 HB2 HIS A 43 19.694 5.245 1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.327 5.584 2.328 1.00 0.00 H new ATOM 0 HD2 HIS A 43 20.973 2.703 2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 43 20.862 4.282 6.239 1.00 0.00 H new ATOM 0 HE2 HIS A 43 21.927 2.478 4.747 1.00 0.00 H new ATOM 647 N VAL A 44 17.277 2.412 3.141 1.00 0.00 N ATOM 648 CA VAL A 44 16.269 1.847 4.029 1.00 0.00 C ATOM 649 C VAL A 44 15.489 2.936 4.780 1.00 0.00 C ATOM 650 O VAL A 44 14.286 2.784 4.950 1.00 0.00 O ATOM 651 CB VAL A 44 16.921 0.784 4.939 1.00 0.00 C ATOM 652 CG1 VAL A 44 18.064 1.336 5.796 1.00 0.00 C ATOM 653 CG2 VAL A 44 15.902 0.072 5.839 1.00 0.00 C ATOM 0 H VAL A 44 18.226 2.114 3.366 1.00 0.00 H new ATOM 0 HA VAL A 44 15.508 1.335 3.440 1.00 0.00 H new ATOM 0 HB VAL A 44 17.344 0.056 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 44 18.477 0.536 6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 44 18.844 1.735 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.685 2.130 6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.415 -0.665 6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.409 0.803 6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.158 -0.429 5.220 1.00 0.00 H new ATOM 663 N SER A 45 16.106 4.061 5.155 1.00 0.00 N ATOM 664 CA SER A 45 15.371 5.162 5.776 1.00 0.00 C ATOM 665 C SER A 45 14.281 5.689 4.829 1.00 0.00 C ATOM 666 O SER A 45 13.185 6.032 5.275 1.00 0.00 O ATOM 667 CB SER A 45 16.362 6.261 6.177 1.00 0.00 C ATOM 668 OG SER A 45 15.726 7.381 6.762 1.00 0.00 O ATOM 0 H SER A 45 17.105 4.231 5.040 1.00 0.00 H new ATOM 0 HA SER A 45 14.864 4.809 6.674 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.088 5.852 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.918 6.583 5.296 1.00 0.00 H new ATOM 0 HG SER A 45 16.399 8.052 7.001 1.00 0.00 H new ATOM 674 N ILE A 46 14.569 5.748 3.526 1.00 0.00 N ATOM 675 CA ILE A 46 13.625 6.197 2.514 1.00 0.00 C ATOM 676 C ILE A 46 12.518 5.149 2.381 1.00 0.00 C ATOM 677 O ILE A 46 11.350 5.517 2.293 1.00 0.00 O ATOM 678 CB ILE A 46 14.331 6.413 1.159 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.746 7.039 1.226 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.447 7.197 0.179 1.00 0.00 C ATOM 681 CD1 ILE A 46 15.883 8.358 1.978 1.00 0.00 C ATOM 0 H ILE A 46 15.477 5.481 3.146 1.00 0.00 H new ATOM 0 HA ILE A 46 13.196 7.153 2.816 1.00 0.00 H new ATOM 0 HB ILE A 46 14.488 5.400 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.416 6.314 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 46 16.098 7.192 0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.978 7.329 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.524 6.646 0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.211 8.173 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.922 8.687 1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.251 9.112 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.574 8.220 3.014 1.00 0.00 H new ATOM 693 N VAL A 47 12.870 3.856 2.378 1.00 0.00 N ATOM 694 CA VAL A 47 11.884 2.781 2.359 1.00 0.00 C ATOM 695 C VAL A 47 10.919 2.970 3.526 1.00 0.00 C ATOM 696 O VAL A 47 9.713 2.846 3.333 1.00 0.00 O ATOM 697 CB VAL A 47 12.538 1.388 2.452 1.00 0.00 C ATOM 698 CG1 VAL A 47 11.491 0.285 2.660 1.00 0.00 C ATOM 699 CG2 VAL A 47 13.366 1.066 1.201 1.00 0.00 C ATOM 0 H VAL A 47 13.838 3.534 2.389 1.00 0.00 H new ATOM 0 HA VAL A 47 11.353 2.830 1.408 1.00 0.00 H new ATOM 0 HB VAL A 47 13.200 1.417 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.989 -0.683 2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.945 0.471 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.794 0.282 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.811 0.076 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.721 1.084 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.156 1.809 1.086 1.00 0.00 H new ATOM 709 N LYS A 48 11.440 3.214 4.728 1.00 0.00 N ATOM 710 CA LYS A 48 10.638 3.318 5.939 1.00 0.00 C ATOM 711 C LYS A 48 9.652 4.473 5.852 1.00 0.00 C ATOM 712 O LYS A 48 8.483 4.256 6.170 1.00 0.00 O ATOM 713 CB LYS A 48 11.544 3.456 7.164 1.00 0.00 C ATOM 714 CG LYS A 48 12.189 2.114 7.525 1.00 0.00 C ATOM 715 CD LYS A 48 13.009 2.257 8.809 1.00 0.00 C ATOM 716 CE LYS A 48 12.965 0.955 9.609 1.00 0.00 C ATOM 717 NZ LYS A 48 13.706 1.093 10.873 1.00 0.00 N ATOM 0 H LYS A 48 12.439 3.346 4.886 1.00 0.00 H new ATOM 0 HA LYS A 48 10.056 2.402 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.320 4.195 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.964 3.824 8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.418 1.355 7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.830 1.778 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.041 2.508 8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.616 3.076 9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.930 0.685 9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.393 0.145 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.663 0.197 11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.699 1.328 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.281 1.851 11.444 1.00 0.00 H new ATOM 731 N GLU A 49 10.103 5.642 5.380 1.00 0.00 N ATOM 732 CA GLU A 49 9.229 6.785 5.126 1.00 0.00 C ATOM 733 C GLU A 49 8.088 6.352 4.217 1.00 0.00 C ATOM 734 O GLU A 49 6.922 6.519 4.561 1.00 0.00 O ATOM 735 CB GLU A 49 10.004 7.920 4.438 1.00 0.00 C ATOM 736 CG GLU A 49 10.867 8.776 5.359 1.00 0.00 C ATOM 737 CD GLU A 49 10.057 9.708 6.267 1.00 0.00 C ATOM 738 OE1 GLU A 49 9.495 9.219 7.274 1.00 0.00 O ATOM 739 OE2 GLU A 49 10.064 10.931 5.996 1.00 0.00 O ATOM 0 H GLU A 49 11.084 5.818 5.165 1.00 0.00 H new ATOM 0 HA GLU A 49 8.843 7.145 6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.643 7.486 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.290 8.569 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.481 8.123 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.548 9.374 4.753 1.00 0.00 H new ATOM 746 N PHE A 50 8.434 5.790 3.053 1.00 0.00 N ATOM 747 CA PHE A 50 7.452 5.336 2.087 1.00 0.00 C ATOM 748 C PHE A 50 6.466 4.383 2.733 1.00 0.00 C ATOM 749 O PHE A 50 5.260 4.546 2.563 1.00 0.00 O ATOM 750 CB PHE A 50 8.131 4.640 0.906 1.00 0.00 C ATOM 751 CG PHE A 50 8.352 5.486 -0.320 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.321 5.601 -1.264 1.00 0.00 C ATOM 753 CD2 PHE A 50 9.570 6.152 -0.532 1.00 0.00 C ATOM 754 CE1 PHE A 50 7.501 6.401 -2.402 1.00 0.00 C ATOM 755 CE2 PHE A 50 9.762 6.912 -1.695 1.00 0.00 C ATOM 756 CZ PHE A 50 8.731 7.019 -2.633 1.00 0.00 C ATOM 0 H PHE A 50 9.401 5.642 2.764 1.00 0.00 H new ATOM 0 HA PHE A 50 6.917 6.213 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.097 4.260 1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.529 3.776 0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.390 5.074 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.360 6.079 0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.688 6.539 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.703 7.413 -1.865 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.887 7.583 -3.541 1.00 0.00 H new ATOM 766 N SER A 51 6.988 3.362 3.411 1.00 0.00 N ATOM 767 CA SER A 51 6.200 2.309 4.010 1.00 0.00 C ATOM 768 C SER A 51 5.182 2.933 4.943 1.00 0.00 C ATOM 769 O SER A 51 4.003 2.701 4.725 1.00 0.00 O ATOM 770 CB SER A 51 7.078 1.262 4.703 1.00 0.00 C ATOM 771 OG SER A 51 8.070 0.783 3.815 1.00 0.00 O ATOM 0 H SER A 51 7.991 3.250 3.557 1.00 0.00 H new ATOM 0 HA SER A 51 5.667 1.764 3.231 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.549 1.699 5.583 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.461 0.433 5.050 1.00 0.00 H new ATOM 0 HG SER A 51 8.783 1.450 3.731 1.00 0.00 H new ATOM 777 N GLU A 52 5.582 3.768 5.900 1.00 0.00 N ATOM 778 CA GLU A 52 4.614 4.520 6.695 1.00 0.00 C ATOM 779 C GLU A 52 3.621 5.276 5.817 1.00 0.00 C ATOM 780 O GLU A 52 2.424 5.075 5.982 1.00 0.00 O ATOM 781 CB GLU A 52 5.293 5.446 7.711 1.00 0.00 C ATOM 782 CG GLU A 52 5.895 4.653 8.879 1.00 0.00 C ATOM 783 CD GLU A 52 4.914 4.114 9.920 1.00 0.00 C ATOM 784 OE1 GLU A 52 3.821 3.635 9.545 1.00 0.00 O ATOM 785 OE2 GLU A 52 5.264 4.130 11.122 1.00 0.00 O ATOM 0 H GLU A 52 6.558 3.940 6.142 1.00 0.00 H new ATOM 0 HA GLU A 52 4.045 3.788 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.077 6.019 7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.567 6.164 8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.452 3.811 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.615 5.292 9.389 1.00 0.00 H new ATOM 792 N PHE A 53 4.043 6.098 4.853 1.00 0.00 N ATOM 793 CA PHE A 53 3.101 6.907 4.089 1.00 0.00 C ATOM 794 C PHE A 53 2.056 6.056 3.340 1.00 0.00 C ATOM 795 O PHE A 53 0.974 6.566 3.011 1.00 0.00 O ATOM 796 CB PHE A 53 3.900 7.863 3.189 1.00 0.00 C ATOM 797 CG PHE A 53 4.891 8.774 3.921 1.00 0.00 C ATOM 798 CD1 PHE A 53 4.617 9.261 5.214 1.00 0.00 C ATOM 799 CD2 PHE A 53 6.105 9.146 3.310 1.00 0.00 C ATOM 800 CE1 PHE A 53 5.531 10.088 5.886 1.00 0.00 C ATOM 801 CE2 PHE A 53 7.011 10.001 3.967 1.00 0.00 C ATOM 802 CZ PHE A 53 6.731 10.459 5.263 1.00 0.00 C ATOM 0 H PHE A 53 5.021 6.218 4.588 1.00 0.00 H new ATOM 0 HA PHE A 53 2.496 7.508 4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.448 7.272 2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.198 8.487 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.688 8.994 5.696 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.344 8.771 2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.310 10.439 6.883 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.922 10.304 3.473 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.436 11.094 5.778 1.00 0.00 H new ATOM 812 N ILE A 54 2.332 4.763 3.135 1.00 0.00 N ATOM 813 CA ILE A 54 1.433 3.728 2.640 1.00 0.00 C ATOM 814 C ILE A 54 0.595 3.132 3.780 1.00 0.00 C ATOM 815 O ILE A 54 -0.627 3.046 3.663 1.00 0.00 O ATOM 816 CB ILE A 54 2.250 2.645 1.902 1.00 0.00 C ATOM 817 CG1 ILE A 54 3.016 3.240 0.699 1.00 0.00 C ATOM 818 CG2 ILE A 54 1.361 1.499 1.404 1.00 0.00 C ATOM 819 CD1 ILE A 54 4.298 2.470 0.396 1.00 0.00 C ATOM 0 H ILE A 54 3.262 4.390 3.327 1.00 0.00 H new ATOM 0 HA ILE A 54 0.731 4.172 1.933 1.00 0.00 H new ATOM 0 HB ILE A 54 2.962 2.252 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.372 3.231 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.260 4.282 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.975 0.759 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.862 1.031 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.614 1.892 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.802 2.924 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.955 2.501 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.054 1.434 0.163 1.00 0.00 H new ATOM 831 N LEU A 55 1.228 2.636 4.841 1.00 0.00 N ATOM 832 CA LEU A 55 0.595 1.851 5.897 1.00 0.00 C ATOM 833 C LEU A 55 -0.379 2.712 6.683 1.00 0.00 C ATOM 834 O LEU A 55 -1.466 2.266 7.055 1.00 0.00 O ATOM 835 CB LEU A 55 1.647 1.328 6.876 1.00 0.00 C ATOM 836 CG LEU A 55 2.653 0.341 6.276 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.888 0.373 7.178 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.072 -1.076 6.159 1.00 0.00 C ATOM 0 H LEU A 55 2.227 2.774 4.994 1.00 0.00 H new ATOM 0 HA LEU A 55 0.072 1.020 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.194 2.177 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.138 0.844 7.709 1.00 0.00 H new ATOM 0 HG LEU A 55 2.909 0.631 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.639 -0.317 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.299 1.383 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.608 0.076 8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.820 -1.742 5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.791 -1.437 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.192 -1.056 5.517 1.00 0.00 H new ATOM 850 N LYS A 56 -0.008 3.967 6.915 1.00 0.00 N ATOM 851 CA LYS A 56 -0.818 4.970 7.586 1.00 0.00 C ATOM 852 C LYS A 56 -2.125 5.190 6.832 1.00 0.00 C ATOM 853 O LYS A 56 -3.111 5.618 7.430 1.00 0.00 O ATOM 854 CB LYS A 56 -0.005 6.273 7.647 1.00 0.00 C ATOM 855 CG LYS A 56 1.321 6.150 8.416 1.00 0.00 C ATOM 856 CD LYS A 56 1.202 6.279 9.919 1.00 0.00 C ATOM 857 CE LYS A 56 2.631 6.197 10.481 1.00 0.00 C ATOM 858 NZ LYS A 56 2.797 7.166 11.577 1.00 0.00 N ATOM 0 H LYS A 56 0.903 4.325 6.628 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.070 4.638 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.206 6.605 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.614 7.047 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.770 5.185 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.006 6.916 8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.732 7.224 10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.578 5.484 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.831 5.188 10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.354 6.402 9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.765 7.104 11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.625 8.127 11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.118 6.952 12.335 1.00 0.00 H new ATOM 872 N ARG A 57 -2.169 4.904 5.525 1.00 0.00 N ATOM 873 CA ARG A 57 -3.371 5.066 4.722 1.00 0.00 C ATOM 874 C ARG A 57 -4.465 4.104 5.160 1.00 0.00 C ATOM 875 O ARG A 57 -5.640 4.437 5.046 1.00 0.00 O ATOM 876 CB ARG A 57 -3.024 4.831 3.243 1.00 0.00 C ATOM 877 CG ARG A 57 -3.816 5.730 2.296 1.00 0.00 C ATOM 878 CD ARG A 57 -3.552 7.230 2.509 1.00 0.00 C ATOM 879 NE ARG A 57 -2.121 7.586 2.644 1.00 0.00 N ATOM 880 CZ ARG A 57 -1.636 8.835 2.647 1.00 0.00 C ATOM 881 NH1 ARG A 57 -2.455 9.874 2.714 1.00 0.00 N ATOM 882 NH2 ARG A 57 -0.330 9.054 2.578 1.00 0.00 N ATOM 0 H ARG A 57 -1.367 4.554 5.001 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.747 6.080 4.860 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.958 5.004 3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.216 3.788 2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.568 5.468 1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.880 5.534 2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.974 7.783 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.081 7.556 3.404 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.453 6.821 2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.463 9.726 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.078 10.822 2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.317 8.267 2.522 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.028 10.009 2.581 1.00 0.00 H new ATOM 896 N LEU A 58 -4.093 2.916 5.631 1.00 0.00 N ATOM 897 CA LEU A 58 -5.033 1.896 6.073 1.00 0.00 C ATOM 898 C LEU A 58 -5.737 2.371 7.339 1.00 0.00 C ATOM 899 O LEU A 58 -6.937 2.140 7.491 1.00 0.00 O ATOM 900 CB LEU A 58 -4.305 0.568 6.337 1.00 0.00 C ATOM 901 CG LEU A 58 -3.790 -0.218 5.114 1.00 0.00 C ATOM 902 CD1 LEU A 58 -4.942 -0.760 4.274 1.00 0.00 C ATOM 903 CD2 LEU A 58 -2.846 0.550 4.185 1.00 0.00 C ATOM 0 H LEU A 58 -3.117 2.634 5.716 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.771 1.729 5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.454 0.774 6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.981 -0.081 6.894 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.209 -1.024 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.543 -1.308 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.552 -1.428 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.555 0.069 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.544 -0.094 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.358 1.428 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.963 0.864 4.742 1.00 0.00 H new ATOM 915 N ASP A 59 -5.012 3.082 8.207 1.00 0.00 N ATOM 916 CA ASP A 59 -5.501 3.627 9.475 1.00 0.00 C ATOM 917 C ASP A 59 -6.544 4.736 9.282 1.00 0.00 C ATOM 918 O ASP A 59 -7.151 5.190 10.251 1.00 0.00 O ATOM 919 CB ASP A 59 -4.299 4.194 10.251 1.00 0.00 C ATOM 920 CG ASP A 59 -4.420 4.016 11.767 1.00 0.00 C ATOM 921 OD1 ASP A 59 -4.553 2.855 12.222 1.00 0.00 O ATOM 922 OD2 ASP A 59 -4.237 5.013 12.507 1.00 0.00 O ATOM 0 H ASP A 59 -4.030 3.302 8.038 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.989 2.821 10.022 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.388 3.704 9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.196 5.255 10.024 1.00 0.00 H new ATOM 927 N ASN A 60 -6.711 5.224 8.047 1.00 0.00 N ATOM 928 CA ASN A 60 -7.518 6.395 7.723 1.00 0.00 C ATOM 929 C ASN A 60 -9.022 6.094 7.744 1.00 0.00 C ATOM 930 O ASN A 60 -9.458 4.946 7.875 1.00 0.00 O ATOM 931 CB ASN A 60 -7.124 6.924 6.337 1.00 0.00 C ATOM 932 CG ASN A 60 -7.428 8.408 6.221 1.00 0.00 C ATOM 933 OD1 ASN A 60 -8.495 8.798 5.770 1.00 0.00 O ATOM 934 ND2 ASN A 60 -6.527 9.249 6.679 1.00 0.00 N ATOM 0 H ASN A 60 -6.275 4.801 7.228 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.322 7.146 8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.062 6.751 6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.665 6.376 5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.711 10.252 6.663 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.644 8.898 7.050 1.00 0.00 H new ATOM 941 N LYS A 61 -9.854 7.119 7.561 1.00 0.00 N ATOM 942 CA LYS A 61 -11.300 7.022 7.478 1.00 0.00 C ATOM 943 C LYS A 61 -11.724 7.440 6.071 1.00 0.00 C ATOM 944 O LYS A 61 -12.082 8.588 5.843 1.00 0.00 O ATOM 945 CB LYS A 61 -11.905 7.891 8.591 1.00 0.00 C ATOM 946 CG LYS A 61 -13.419 7.730 8.787 1.00 0.00 C ATOM 947 CD LYS A 61 -13.793 6.444 9.527 1.00 0.00 C ATOM 948 CE LYS A 61 -15.308 6.413 9.752 1.00 0.00 C ATOM 949 NZ LYS A 61 -15.715 5.351 10.694 1.00 0.00 N ATOM 0 H LYS A 61 -9.519 8.077 7.463 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.664 6.006 7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.405 7.653 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.691 8.937 8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.801 8.586 9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.909 7.738 7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.482 5.574 8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.271 6.395 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.636 7.380 10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.811 6.261 8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.748 5.370 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.427 4.425 10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.257 5.509 11.614 1.00 0.00 H new ATOM 963 N SER A 62 -11.706 6.496 5.133 1.00 0.00 N ATOM 964 CA SER A 62 -12.382 6.577 3.842 1.00 0.00 C ATOM 965 C SER A 62 -12.261 5.190 3.218 1.00 0.00 C ATOM 966 O SER A 62 -11.169 4.619 3.211 1.00 0.00 O ATOM 967 CB SER A 62 -11.723 7.624 2.936 1.00 0.00 C ATOM 968 OG SER A 62 -12.412 7.723 1.709 1.00 0.00 O ATOM 0 H SER A 62 -11.200 5.619 5.257 1.00 0.00 H new ATOM 0 HA SER A 62 -13.422 6.878 3.965 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.717 8.593 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.683 7.353 2.754 1.00 0.00 H new ATOM 0 HG SER A 62 -11.767 7.825 0.979 1.00 0.00 H new ATOM 974 N PRO A 63 -13.328 4.615 2.651 1.00 0.00 N ATOM 975 CA PRO A 63 -13.204 3.387 1.881 1.00 0.00 C ATOM 976 C PRO A 63 -12.285 3.558 0.663 1.00 0.00 C ATOM 977 O PRO A 63 -11.704 2.587 0.180 1.00 0.00 O ATOM 978 CB PRO A 63 -14.628 3.030 1.460 1.00 0.00 C ATOM 979 CG PRO A 63 -15.353 4.372 1.472 1.00 0.00 C ATOM 980 CD PRO A 63 -14.679 5.146 2.588 1.00 0.00 C ATOM 0 HA PRO A 63 -12.744 2.595 2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.651 2.571 0.472 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.085 2.321 2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.256 4.886 0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.419 4.247 1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.673 6.216 2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.201 5.009 3.535 1.00 0.00 H new ATOM 988 N ILE A 64 -12.151 4.770 0.133 1.00 0.00 N ATOM 989 CA ILE A 64 -11.441 4.991 -1.120 1.00 0.00 C ATOM 990 C ILE A 64 -9.957 5.061 -0.820 1.00 0.00 C ATOM 991 O ILE A 64 -9.185 4.282 -1.380 1.00 0.00 O ATOM 992 CB ILE A 64 -11.945 6.272 -1.794 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.461 6.203 -2.052 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.207 6.470 -3.117 1.00 0.00 C ATOM 995 CD1 ILE A 64 -14.164 7.507 -1.662 1.00 0.00 C ATOM 0 H ILE A 64 -12.528 5.618 0.556 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.624 4.171 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.751 7.113 -1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.641 5.994 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.889 5.376 -1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.563 7.380 -3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.137 6.554 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.394 5.617 -3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.232 7.418 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.006 7.702 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.755 8.330 -2.247 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.582 5.950 0.106 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.203 6.128 0.517 1.00 0.00 C ATOM 1009 C VAL A 65 -7.616 4.780 0.948 1.00 0.00 C ATOM 1010 O VAL A 65 -6.426 4.543 0.731 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.129 7.216 1.617 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.263 6.656 3.035 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -6.830 8.013 1.570 1.00 0.00 C ATOM 0 H VAL A 65 -10.237 6.565 0.588 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.592 6.480 -0.314 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.978 7.863 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.202 7.472 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.224 6.152 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.458 5.945 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.833 8.761 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.985 7.339 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.742 8.509 0.604 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.440 3.904 1.559 1.00 0.00 N ATOM 1024 CA LYS A 66 -7.933 2.610 1.995 1.00 0.00 C ATOM 1025 C LYS A 66 -7.630 1.798 0.744 1.00 0.00 C ATOM 1026 O LYS A 66 -6.469 1.476 0.516 1.00 0.00 O ATOM 1027 CB LYS A 66 -8.881 1.864 2.972 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.510 2.123 4.448 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.624 2.610 5.375 1.00 0.00 C ATOM 1030 CE LYS A 66 -10.735 1.575 5.601 1.00 0.00 C ATOM 1031 NZ LYS A 66 -11.574 1.959 6.757 1.00 0.00 N ATOM 0 H LYS A 66 -9.428 4.071 1.752 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.027 2.760 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.908 2.183 2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.840 0.794 2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.107 1.199 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.707 2.859 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.191 2.881 6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.063 3.516 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.353 1.495 4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.295 0.593 5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.496 1.482 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.101 1.676 7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.716 2.989 6.756 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.651 1.468 -0.057 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.539 0.589 -1.223 1.00 0.00 C ATOM 1047 C GLN A 67 -7.413 1.041 -2.159 1.00 0.00 C ATOM 1048 O GLN A 67 -6.664 0.200 -2.656 1.00 0.00 O ATOM 1049 CB GLN A 67 -9.905 0.517 -1.921 1.00 0.00 C ATOM 1050 CG GLN A 67 -10.030 -0.600 -2.971 1.00 0.00 C ATOM 1051 CD GLN A 67 -9.277 -0.334 -4.276 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -9.058 0.806 -4.674 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -8.865 -1.377 -4.973 1.00 0.00 N ATOM 0 H GLN A 67 -9.599 1.814 0.093 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.265 -0.417 -0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.677 0.375 -1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.103 1.474 -2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.663 -1.530 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.085 -0.749 -3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.051 -2.321 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.361 -1.238 -5.849 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.244 2.348 -2.371 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.195 2.870 -3.239 1.00 0.00 C ATOM 1064 C LYS A 68 -4.790 2.477 -2.784 1.00 0.00 C ATOM 1065 O LYS A 68 -3.926 2.303 -3.647 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.338 4.392 -3.362 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.376 4.743 -4.436 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.537 6.248 -4.651 1.00 0.00 C ATOM 1069 CE LYS A 68 -8.436 6.452 -5.869 1.00 0.00 C ATOM 1070 NZ LYS A 68 -8.623 7.864 -6.228 1.00 0.00 N ATOM 0 H LYS A 68 -7.829 3.068 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.324 2.414 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.639 4.815 -2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.376 4.835 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.086 4.277 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.339 4.318 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.976 6.715 -3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.566 6.717 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.008 5.922 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.410 6.003 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.200 7.929 -7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.105 8.359 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.696 8.305 -6.397 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.537 2.331 -1.479 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.251 1.857 -0.990 1.00 0.00 C ATOM 1086 C ALA A 69 -3.023 0.395 -1.396 1.00 0.00 C ATOM 1087 O ALA A 69 -1.935 0.053 -1.829 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.145 2.057 0.525 1.00 0.00 C ATOM 0 H ALA A 69 -5.214 2.537 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.459 2.447 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.177 1.697 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.244 3.117 0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.939 1.500 1.022 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.033 -0.474 -1.354 1.00 0.00 N ATOM 1095 CA LEU A 70 -3.886 -1.897 -1.625 1.00 0.00 C ATOM 1096 C LEU A 70 -3.308 -2.180 -3.007 1.00 0.00 C ATOM 1097 O LEU A 70 -2.350 -2.945 -3.108 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.241 -2.581 -1.483 1.00 0.00 C ATOM 1099 CG LEU A 70 -5.679 -2.761 -0.030 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -5.798 -1.524 0.850 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -7.038 -3.425 -0.031 1.00 0.00 C ATOM 0 H LEU A 70 -4.989 -0.201 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.178 -2.295 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.993 -1.995 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.200 -3.557 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.866 -3.339 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.118 -1.818 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.830 -1.026 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.531 -0.841 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.375 -3.566 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.750 -2.795 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.969 -4.394 -0.526 1.00 0.00 H new ATOM 1113 N ARG A 71 -3.864 -1.571 -4.067 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.324 -1.770 -5.418 1.00 0.00 C ATOM 1115 C ARG A 71 -1.882 -1.261 -5.535 1.00 0.00 C ATOM 1116 O ARG A 71 -1.110 -1.800 -6.328 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.235 -1.180 -6.516 1.00 0.00 C ATOM 1118 CG ARG A 71 -4.700 0.275 -6.306 1.00 0.00 C ATOM 1119 CD ARG A 71 -5.266 0.940 -7.576 1.00 0.00 C ATOM 1120 NE ARG A 71 -6.228 0.089 -8.292 1.00 0.00 N ATOM 1121 CZ ARG A 71 -6.549 0.103 -9.590 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -6.052 0.982 -10.454 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -7.436 -0.776 -10.029 1.00 0.00 N ATOM 0 H ARG A 71 -4.671 -0.949 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.302 -2.847 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.706 -1.237 -7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.118 -1.812 -6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.463 0.293 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.859 0.866 -5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.752 1.877 -7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.443 1.191 -8.245 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.715 -0.604 -7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.391 1.691 -10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.331 0.947 -11.434 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.857 -1.443 -9.382 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.699 -0.787 -11.015 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.517 -0.238 -4.754 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.153 0.270 -4.643 1.00 0.00 C ATOM 1139 C LEU A 72 0.743 -0.700 -3.856 1.00 0.00 C ATOM 1140 O LEU A 72 1.958 -0.700 -4.063 1.00 0.00 O ATOM 1141 CB LEU A 72 -0.197 1.683 -4.009 1.00 0.00 C ATOM 1142 CG LEU A 72 1.162 2.349 -3.723 1.00 0.00 C ATOM 1143 CD1 LEU A 72 1.945 2.752 -4.974 1.00 0.00 C ATOM 1144 CD2 LEU A 72 0.971 3.561 -2.813 1.00 0.00 C ATOM 0 H LEU A 72 -2.181 0.269 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 72 0.293 0.349 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.765 2.337 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.750 1.620 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 72 1.765 1.589 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.888 3.213 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.146 1.867 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.359 3.463 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.938 4.025 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.315 4.282 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.524 3.242 -1.871 1.00 0.00 H new ATOM 1156 N ILE A 73 0.195 -1.521 -2.955 1.00 0.00 N ATOM 1157 CA ILE A 73 0.979 -2.399 -2.094 1.00 0.00 C ATOM 1158 C ILE A 73 1.374 -3.594 -2.919 1.00 0.00 C ATOM 1159 O ILE A 73 2.521 -3.663 -3.326 1.00 0.00 O ATOM 1160 CB ILE A 73 0.262 -2.707 -0.767 1.00 0.00 C ATOM 1161 CG1 ILE A 73 0.300 -1.421 0.085 1.00 0.00 C ATOM 1162 CG2 ILE A 73 0.975 -3.818 0.029 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -0.792 -1.384 1.142 1.00 0.00 C ATOM 0 H ILE A 73 -0.811 -1.592 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 73 1.894 -1.915 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.752 -3.040 -0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.273 -1.341 0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.197 -0.554 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.436 -4.003 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.000 -4.732 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.994 -3.505 0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.717 -0.457 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.768 -1.435 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.676 -2.233 1.815 1.00 0.00 H new ATOM 1175 N LYS A 74 0.455 -4.513 -3.213 1.00 0.00 N ATOM 1176 CA LYS A 74 0.795 -5.747 -3.922 1.00 0.00 C ATOM 1177 C LYS A 74 1.643 -5.531 -5.185 1.00 0.00 C ATOM 1178 O LYS A 74 2.436 -6.412 -5.502 1.00 0.00 O ATOM 1179 CB LYS A 74 -0.453 -6.579 -4.254 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.521 -5.800 -5.037 1.00 0.00 C ATOM 1181 CD LYS A 74 -2.127 -6.742 -6.089 1.00 0.00 C ATOM 1182 CE LYS A 74 -2.974 -5.976 -7.097 1.00 0.00 C ATOM 1183 NZ LYS A 74 -3.467 -6.876 -8.158 1.00 0.00 N ATOM 0 H LYS A 74 -0.532 -4.426 -2.971 1.00 0.00 H new ATOM 0 HA LYS A 74 1.417 -6.306 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.154 -7.452 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.891 -6.948 -3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.296 -5.434 -4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.079 -4.927 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.329 -7.271 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.740 -7.496 -5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.818 -5.508 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.384 -5.174 -7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.042 -6.334 -8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.659 -7.303 -8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.048 -7.627 -7.734 1.00 0.00 H new ATOM 1197 N TYR A 75 1.503 -4.405 -5.892 1.00 0.00 N ATOM 1198 CA TYR A 75 2.381 -4.046 -7.000 1.00 0.00 C ATOM 1199 C TYR A 75 3.785 -3.688 -6.500 1.00 0.00 C ATOM 1200 O TYR A 75 4.746 -4.269 -6.989 1.00 0.00 O ATOM 1201 CB TYR A 75 1.727 -2.925 -7.825 1.00 0.00 C ATOM 1202 CG TYR A 75 2.546 -2.357 -8.982 1.00 0.00 C ATOM 1203 CD1 TYR A 75 3.474 -3.164 -9.673 1.00 0.00 C ATOM 1204 CD2 TYR A 75 2.367 -1.018 -9.397 1.00 0.00 C ATOM 1205 CE1 TYR A 75 4.209 -2.647 -10.748 1.00 0.00 C ATOM 1206 CE2 TYR A 75 3.101 -0.498 -10.477 1.00 0.00 C ATOM 1207 CZ TYR A 75 4.017 -1.320 -11.168 1.00 0.00 C ATOM 1208 OH TYR A 75 4.689 -0.857 -12.253 1.00 0.00 O ATOM 0 H TYR A 75 0.773 -3.717 -5.708 1.00 0.00 H new ATOM 0 HA TYR A 75 2.514 -4.904 -7.658 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.787 -3.303 -8.227 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.479 -2.106 -7.150 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.619 -4.191 -9.370 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.659 -0.388 -8.879 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.928 -3.272 -11.257 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.964 0.530 -10.778 1.00 0.00 H new ATOM 0 HH TYR A 75 4.154 -0.169 -12.700 1.00 0.00 H new ATOM 1218 N ALA A 76 3.945 -2.745 -5.566 1.00 0.00 N ATOM 1219 CA ALA A 76 5.261 -2.341 -5.068 1.00 0.00 C ATOM 1220 C ALA A 76 5.946 -3.413 -4.210 1.00 0.00 C ATOM 1221 O ALA A 76 7.175 -3.436 -4.084 1.00 0.00 O ATOM 1222 CB ALA A 76 5.114 -1.071 -4.238 1.00 0.00 C ATOM 0 H ALA A 76 3.168 -2.243 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 76 5.890 -2.179 -5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.091 -0.765 -3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.698 -0.277 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.447 -1.261 -3.397 1.00 0.00 H new ATOM 1228 N VAL A 77 5.181 -4.296 -3.580 1.00 0.00 N ATOM 1229 CA VAL A 77 5.670 -5.476 -2.934 1.00 0.00 C ATOM 1230 C VAL A 77 6.201 -6.394 -4.029 1.00 0.00 C ATOM 1231 O VAL A 77 5.906 -6.263 -5.214 1.00 0.00 O ATOM 1232 CB VAL A 77 4.559 -6.101 -2.065 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.132 -7.275 -1.284 1.00 0.00 C ATOM 1234 CG2 VAL A 77 3.999 -5.180 -0.971 1.00 0.00 C ATOM 0 H VAL A 77 4.169 -4.193 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 77 6.485 -5.267 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 77 3.772 -6.352 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.350 -7.719 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.515 -8.022 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.942 -6.926 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.224 -5.707 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.802 -4.891 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.573 -4.288 -1.430 1.00 0.00 H new ATOM 1244 N GLY A 78 7.107 -7.253 -3.607 1.00 0.00 N ATOM 1245 CA GLY A 78 7.823 -8.191 -4.453 1.00 0.00 C ATOM 1246 C GLY A 78 8.784 -7.516 -5.438 1.00 0.00 C ATOM 1247 O GLY A 78 9.476 -8.227 -6.155 1.00 0.00 O ATOM 0 H GLY A 78 7.377 -7.321 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.386 -8.880 -3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.102 -8.787 -5.012 1.00 0.00 H new ATOM 1251 N LYS A 79 8.881 -6.175 -5.476 1.00 0.00 N ATOM 1252 CA LYS A 79 9.770 -5.450 -6.392 1.00 0.00 C ATOM 1253 C LYS A 79 10.655 -4.409 -5.719 1.00 0.00 C ATOM 1254 O LYS A 79 11.711 -4.076 -6.245 1.00 0.00 O ATOM 1255 CB LYS A 79 8.962 -4.859 -7.556 1.00 0.00 C ATOM 1256 CG LYS A 79 8.056 -3.653 -7.293 1.00 0.00 C ATOM 1257 CD LYS A 79 7.182 -3.336 -8.523 1.00 0.00 C ATOM 1258 CE LYS A 79 7.923 -3.104 -9.842 1.00 0.00 C ATOM 1259 NZ LYS A 79 8.916 -1.996 -9.822 1.00 0.00 N ATOM 0 H LYS A 79 8.339 -5.563 -4.866 1.00 0.00 H new ATOM 0 HA LYS A 79 10.474 -6.184 -6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.668 -4.576 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.339 -5.656 -7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.418 -3.854 -6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.665 -2.785 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.481 -4.158 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.591 -2.447 -8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.435 -4.025 -10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.189 -2.900 -10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.516 -2.053 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.418 -1.083 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.509 -2.077 -8.971 1.00 0.00 H new ATOM 1273 N SER A 80 10.259 -3.911 -4.553 1.00 0.00 N ATOM 1274 CA SER A 80 10.961 -2.870 -3.815 1.00 0.00 C ATOM 1275 C SER A 80 12.073 -3.468 -2.939 1.00 0.00 C ATOM 1276 O SER A 80 12.129 -3.224 -1.733 1.00 0.00 O ATOM 1277 CB SER A 80 9.914 -2.115 -3.001 1.00 0.00 C ATOM 1278 OG SER A 80 8.967 -1.495 -3.851 1.00 0.00 O ATOM 0 H SER A 80 9.413 -4.232 -4.081 1.00 0.00 H new ATOM 0 HA SER A 80 11.465 -2.180 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.407 -2.803 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.402 -1.362 -2.382 1.00 0.00 H new ATOM 0 HG SER A 80 8.325 -2.164 -4.169 1.00 0.00 H new ATOM 1284 N GLY A 81 12.934 -4.295 -3.536 1.00 0.00 N ATOM 1285 CA GLY A 81 14.043 -4.936 -2.837 1.00 0.00 C ATOM 1286 C GLY A 81 13.566 -5.788 -1.656 1.00 0.00 C ATOM 1287 O GLY A 81 12.437 -6.298 -1.657 1.00 0.00 O ATOM 0 H GLY A 81 12.878 -4.538 -4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.597 -5.563 -3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.733 -4.173 -2.477 1.00 0.00 H new ATOM 1291 N SER A 82 14.448 -6.007 -0.677 1.00 0.00 N ATOM 1292 CA SER A 82 14.140 -6.778 0.521 1.00 0.00 C ATOM 1293 C SER A 82 13.530 -5.876 1.591 1.00 0.00 C ATOM 1294 O SER A 82 12.474 -6.198 2.121 1.00 0.00 O ATOM 1295 CB SER A 82 15.390 -7.505 1.023 1.00 0.00 C ATOM 1296 OG SER A 82 15.824 -8.434 0.039 1.00 0.00 O ATOM 0 H SER A 82 15.403 -5.649 -0.698 1.00 0.00 H new ATOM 0 HA SER A 82 13.399 -7.539 0.277 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.182 -6.786 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.172 -8.023 1.957 1.00 0.00 H new ATOM 0 HG SER A 82 16.625 -8.899 0.359 1.00 0.00 H new ATOM 1302 N GLU A 83 14.128 -4.718 1.860 1.00 0.00 N ATOM 1303 CA GLU A 83 13.772 -3.829 2.967 1.00 0.00 C ATOM 1304 C GLU A 83 12.254 -3.599 3.042 1.00 0.00 C ATOM 1305 O GLU A 83 11.634 -3.838 4.081 1.00 0.00 O ATOM 1306 CB GLU A 83 14.508 -2.485 2.832 1.00 0.00 C ATOM 1307 CG GLU A 83 16.041 -2.574 2.816 1.00 0.00 C ATOM 1308 CD GLU A 83 16.584 -2.977 1.443 1.00 0.00 C ATOM 1309 OE1 GLU A 83 16.700 -2.107 0.550 1.00 0.00 O ATOM 1310 OE2 GLU A 83 16.853 -4.179 1.224 1.00 0.00 O ATOM 0 H GLU A 83 14.899 -4.359 1.296 1.00 0.00 H new ATOM 0 HA GLU A 83 14.082 -4.313 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.179 -2.000 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.207 -1.840 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.462 -1.610 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.369 -3.299 3.561 1.00 0.00 H new ATOM 1317 N PHE A 84 11.644 -3.171 1.931 1.00 0.00 N ATOM 1318 CA PHE A 84 10.218 -2.860 1.854 1.00 0.00 C ATOM 1319 C PHE A 84 9.364 -4.108 2.064 1.00 0.00 C ATOM 1320 O PHE A 84 8.301 -4.042 2.686 1.00 0.00 O ATOM 1321 CB PHE A 84 9.907 -2.272 0.473 1.00 0.00 C ATOM 1322 CG PHE A 84 8.457 -1.883 0.267 1.00 0.00 C ATOM 1323 CD1 PHE A 84 7.965 -0.684 0.807 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.592 -2.734 -0.447 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.619 -0.335 0.632 1.00 0.00 C ATOM 1326 CE2 PHE A 84 6.249 -2.376 -0.632 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.755 -1.184 -0.079 1.00 0.00 C ATOM 0 H PHE A 84 12.137 -3.030 1.049 1.00 0.00 H new ATOM 0 HA PHE A 84 9.982 -2.144 2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.531 -1.392 0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.186 -3.000 -0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.625 -0.030 1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.963 -3.664 -0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.245 0.590 1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.593 -3.018 -1.201 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.715 -0.921 -0.200 1.00 0.00 H new ATOM 1337 N ARG A 85 9.796 -5.256 1.521 1.00 0.00 N ATOM 1338 CA ARG A 85 9.046 -6.497 1.650 1.00 0.00 C ATOM 1339 C ARG A 85 8.978 -6.912 3.117 1.00 0.00 C ATOM 1340 O ARG A 85 8.127 -7.734 3.443 1.00 0.00 O ATOM 1341 CB ARG A 85 9.603 -7.602 0.713 1.00 0.00 C ATOM 1342 CG ARG A 85 10.518 -8.626 1.409 1.00 0.00 C ATOM 1343 CD ARG A 85 11.453 -9.398 0.473 1.00 0.00 C ATOM 1344 NE ARG A 85 10.854 -10.614 -0.095 1.00 0.00 N ATOM 1345 CZ ARG A 85 11.536 -11.676 -0.545 1.00 0.00 C ATOM 1346 NH1 ARG A 85 12.863 -11.664 -0.630 1.00 0.00 N ATOM 1347 NH2 ARG A 85 10.904 -12.784 -0.898 1.00 0.00 N ATOM 0 H ARG A 85 10.662 -5.342 0.990 1.00 0.00 H new ATOM 0 HA ARG A 85 8.021 -6.335 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.766 -8.132 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.158 -7.129 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.121 -8.105 2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.895 -9.341 1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.760 -8.741 -0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.355 -9.671 1.020 1.00 0.00 H new ATOM 0 HE ARG A 85 9.836 -10.653 -0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.385 -10.834 -0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.359 -12.485 -0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.888 -12.835 -0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.433 -13.586 -1.239 1.00 0.00 H new ATOM 1361 N ARG A 86 9.817 -6.376 4.011 1.00 0.00 N ATOM 1362 CA ARG A 86 9.750 -6.676 5.434 1.00 0.00 C ATOM 1363 C ARG A 86 8.974 -5.610 6.202 1.00 0.00 C ATOM 1364 O ARG A 86 8.198 -5.997 7.073 1.00 0.00 O ATOM 1365 CB ARG A 86 11.161 -6.878 5.999 1.00 0.00 C ATOM 1366 CG ARG A 86 11.980 -7.985 5.308 1.00 0.00 C ATOM 1367 CD ARG A 86 11.235 -9.335 5.264 1.00 0.00 C ATOM 1368 NE ARG A 86 12.123 -10.488 5.050 1.00 0.00 N ATOM 1369 CZ ARG A 86 13.044 -10.971 5.889 1.00 0.00 C ATOM 1370 NH1 ARG A 86 13.155 -10.501 7.127 1.00 0.00 N ATOM 1371 NH2 ARG A 86 13.893 -11.906 5.486 1.00 0.00 N ATOM 0 H ARG A 86 10.559 -5.723 3.762 1.00 0.00 H new ATOM 0 HA ARG A 86 9.198 -7.607 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.707 -5.938 5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.082 -7.112 7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.220 -7.673 4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.926 -8.113 5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.693 -9.473 6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.492 -9.305 4.467 1.00 0.00 H new ATOM 0 HE ARG A 86 12.024 -10.975 4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.532 -9.761 7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.863 -10.881 7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.845 -12.261 4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.594 -12.271 6.131 1.00 0.00 H new ATOM 1385 N GLU A 87 9.080 -4.320 5.854 1.00 0.00 N ATOM 1386 CA GLU A 87 8.265 -3.261 6.473 1.00 0.00 C ATOM 1387 C GLU A 87 6.780 -3.607 6.364 1.00 0.00 C ATOM 1388 O GLU A 87 6.054 -3.591 7.361 1.00 0.00 O ATOM 1389 CB GLU A 87 8.508 -1.889 5.816 1.00 0.00 C ATOM 1390 CG GLU A 87 9.904 -1.291 6.036 1.00 0.00 C ATOM 1391 CD GLU A 87 10.303 -1.216 7.507 1.00 0.00 C ATOM 1392 OE1 GLU A 87 9.555 -0.631 8.323 1.00 0.00 O ATOM 1393 OE2 GLU A 87 11.360 -1.794 7.840 1.00 0.00 O ATOM 0 H GLU A 87 9.727 -3.981 5.142 1.00 0.00 H new ATOM 0 HA GLU A 87 8.562 -3.199 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.337 -1.983 4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.766 -1.187 6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.638 -1.891 5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.935 -0.290 5.607 1.00 0.00 H new ATOM 1400 N MET A 88 6.342 -3.986 5.161 1.00 0.00 N ATOM 1401 CA MET A 88 4.957 -4.352 4.898 1.00 0.00 C ATOM 1402 C MET A 88 4.497 -5.519 5.781 1.00 0.00 C ATOM 1403 O MET A 88 3.334 -5.545 6.166 1.00 0.00 O ATOM 1404 CB MET A 88 4.804 -4.684 3.409 1.00 0.00 C ATOM 1405 CG MET A 88 4.931 -3.434 2.531 1.00 0.00 C ATOM 1406 SD MET A 88 3.427 -2.423 2.479 1.00 0.00 S ATOM 1407 CE MET A 88 4.054 -0.898 3.224 1.00 0.00 C ATOM 0 H MET A 88 6.945 -4.046 4.341 1.00 0.00 H new ATOM 0 HA MET A 88 4.315 -3.507 5.148 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.563 -5.411 3.119 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.834 -5.151 3.239 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.755 -2.824 2.900 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.189 -3.738 1.517 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.292 -0.121 3.158 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.299 -1.078 4.271 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.949 -0.575 2.693 1.00 0.00 H new ATOM 1417 N GLN A 89 5.372 -6.468 6.139 1.00 0.00 N ATOM 1418 CA GLN A 89 5.049 -7.543 7.070 1.00 0.00 C ATOM 1419 C GLN A 89 4.952 -7.048 8.501 1.00 0.00 C ATOM 1420 O GLN A 89 4.054 -7.486 9.216 1.00 0.00 O ATOM 1421 CB GLN A 89 6.111 -8.638 7.036 1.00 0.00 C ATOM 1422 CG GLN A 89 6.212 -9.273 5.668 1.00 0.00 C ATOM 1423 CD GLN A 89 7.235 -10.389 5.681 1.00 0.00 C ATOM 1424 OE1 GLN A 89 7.257 -11.241 6.569 1.00 0.00 O ATOM 1425 NE2 GLN A 89 8.124 -10.369 4.717 1.00 0.00 N ATOM 0 H GLN A 89 6.328 -6.507 5.785 1.00 0.00 H new ATOM 0 HA GLN A 89 4.083 -7.934 6.750 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.077 -8.217 7.315 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.871 -9.402 7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.240 -9.665 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.493 -8.521 4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.078 -9.649 3.996 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.861 -11.073 4.688 1.00 0.00 H new ATOM 1434 N ARG A 90 5.864 -6.174 8.948 1.00 0.00 N ATOM 1435 CA ARG A 90 5.832 -5.692 10.332 1.00 0.00 C ATOM 1436 C ARG A 90 4.477 -5.075 10.642 1.00 0.00 C ATOM 1437 O ARG A 90 3.977 -5.234 11.750 1.00 0.00 O ATOM 1438 CB ARG A 90 6.926 -4.653 10.623 1.00 0.00 C ATOM 1439 CG ARG A 90 8.351 -5.118 10.303 1.00 0.00 C ATOM 1440 CD ARG A 90 9.363 -4.500 11.270 1.00 0.00 C ATOM 1441 NE ARG A 90 9.399 -5.213 12.561 1.00 0.00 N ATOM 1442 CZ ARG A 90 10.330 -6.097 12.947 1.00 0.00 C ATOM 1443 NH1 ARG A 90 11.306 -6.479 12.129 1.00 0.00 N ATOM 1444 NH2 ARG A 90 10.278 -6.618 14.166 1.00 0.00 N ATOM 0 H ARG A 90 6.621 -5.792 8.381 1.00 0.00 H new ATOM 0 HA ARG A 90 6.013 -6.560 10.967 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.715 -3.752 10.048 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.876 -4.378 11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.404 -6.205 10.362 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.606 -4.842 9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.355 -4.518 10.818 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.110 -3.454 11.440 1.00 0.00 H new ATOM 0 HE ARG A 90 8.646 -5.015 13.220 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.358 -6.098 11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.003 -7.153 12.446 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.532 -6.346 14.806 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.984 -7.291 14.464 1.00 0.00 H new ATOM 1458 N ASN A 91 3.887 -4.393 9.658 1.00 0.00 N ATOM 1459 CA ASN A 91 2.683 -3.592 9.838 1.00 0.00 C ATOM 1460 C ASN A 91 1.532 -4.161 8.994 1.00 0.00 C ATOM 1461 O ASN A 91 0.537 -3.481 8.756 1.00 0.00 O ATOM 1462 CB ASN A 91 3.025 -2.111 9.589 1.00 0.00 C ATOM 1463 CG ASN A 91 4.247 -1.674 10.412 1.00 0.00 C ATOM 1464 OD1 ASN A 91 5.201 -0.987 9.805 1.00 0.00 O flip ATOM 1465 ND2 ASN A 91 4.403 -2.035 11.579 1.00 0.00 N flip ATOM 0 H ASN A 91 4.240 -4.384 8.701 1.00 0.00 H new ATOM 0 HA ASN A 91 2.316 -3.643 10.863 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.223 -1.955 8.529 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.168 -1.489 9.848 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.670 -2.565 12.051 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.265 -1.804 12.073 1.00 0.00 H new ATOM 1472 N SER A 92 1.646 -5.425 8.560 1.00 0.00 N ATOM 1473 CA SER A 92 0.673 -6.176 7.759 1.00 0.00 C ATOM 1474 C SER A 92 -0.705 -6.188 8.422 1.00 0.00 C ATOM 1475 O SER A 92 -1.724 -6.209 7.728 1.00 0.00 O ATOM 1476 CB SER A 92 1.244 -7.590 7.535 1.00 0.00 C ATOM 1477 OG SER A 92 0.308 -8.641 7.433 1.00 0.00 O ATOM 0 H SER A 92 2.473 -5.983 8.773 1.00 0.00 H new ATOM 0 HA SER A 92 0.519 -5.697 6.792 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.841 -7.576 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.923 -7.817 8.357 1.00 0.00 H new ATOM 0 HG SER A 92 0.771 -9.501 7.516 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.744 -6.119 9.752 1.00 0.00 N ATOM 1484 CA VAL A 93 -1.949 -5.988 10.546 1.00 0.00 C ATOM 1485 C VAL A 93 -2.883 -4.901 10.031 1.00 0.00 C ATOM 1486 O VAL A 93 -4.093 -5.107 10.069 1.00 0.00 O ATOM 1487 CB VAL A 93 -1.566 -5.757 12.011 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -0.594 -4.586 12.222 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -2.783 -5.698 12.933 1.00 0.00 C ATOM 0 H VAL A 93 0.101 -6.155 10.322 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.511 -6.918 10.462 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.002 -6.642 12.305 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.370 -4.486 13.284 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.329 -4.776 11.673 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.050 -3.665 11.859 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.454 -5.533 13.959 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.434 -4.880 12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.330 -6.639 12.874 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.354 -3.773 9.551 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.187 -2.663 9.130 1.00 0.00 C ATOM 1501 C ALA A 94 -4.091 -3.100 7.972 1.00 0.00 C ATOM 1502 O ALA A 94 -5.278 -2.789 7.924 1.00 0.00 O ATOM 1503 CB ALA A 94 -2.286 -1.492 8.725 1.00 0.00 C ATOM 0 H ALA A 94 -1.352 -3.612 9.447 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.830 -2.342 9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.903 -0.652 8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.675 -1.192 9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.638 -1.798 7.904 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.520 -3.857 7.036 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.198 -4.447 5.898 1.00 0.00 C ATOM 1511 C VAL A 95 -5.114 -5.576 6.377 1.00 0.00 C ATOM 1512 O VAL A 95 -6.294 -5.608 6.027 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.120 -4.950 4.921 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -3.756 -5.495 3.641 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.054 -3.871 4.635 1.00 0.00 C ATOM 0 H VAL A 95 -2.525 -4.082 7.058 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.828 -3.720 5.386 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.595 -5.777 5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.974 -5.844 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.419 -6.324 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.329 -4.705 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.312 -4.267 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.531 -2.996 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.564 -3.587 5.567 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.581 -6.502 7.182 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.310 -7.649 7.723 1.00 0.00 C ATOM 1527 C ARG A 96 -6.589 -7.216 8.424 1.00 0.00 C ATOM 1528 O ARG A 96 -7.622 -7.876 8.299 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.414 -8.408 8.704 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.356 -9.271 8.020 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.321 -9.852 8.992 1.00 0.00 C ATOM 1532 NE ARG A 96 -2.952 -10.579 10.108 1.00 0.00 N ATOM 1533 CZ ARG A 96 -2.353 -11.008 11.219 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -1.030 -10.929 11.355 1.00 0.00 N ATOM 1535 NH2 ARG A 96 -3.090 -11.474 12.217 1.00 0.00 N ATOM 0 H ARG A 96 -3.606 -6.471 7.481 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.586 -8.299 6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.919 -7.692 9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.036 -9.042 9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.849 -10.089 7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.841 -8.673 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.656 -10.526 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.704 -9.045 9.389 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.949 -10.774 10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.463 -10.537 10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.585 -11.261 12.210 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.106 -11.502 12.131 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.641 -11.805 13.071 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.541 -6.112 9.162 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.669 -5.638 9.938 1.00 0.00 C ATOM 1551 C ASN A 97 -8.849 -5.243 9.040 1.00 0.00 C ATOM 1552 O ASN A 97 -10.001 -5.284 9.475 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.222 -4.476 10.829 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.330 -4.178 11.826 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -9.214 -3.373 11.571 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -8.317 -4.867 12.951 1.00 0.00 N ATOM 0 H ASN A 97 -5.712 -5.522 9.235 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.024 -6.450 10.573 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.301 -4.733 11.352 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.010 -3.595 10.224 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.059 -4.735 13.638 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.565 -5.531 13.134 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.599 -4.884 7.776 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.651 -4.507 6.838 1.00 0.00 C ATOM 1565 C LEU A 98 -10.317 -5.698 6.157 1.00 0.00 C ATOM 1566 O LEU A 98 -11.333 -5.468 5.501 1.00 0.00 O ATOM 1567 CB LEU A 98 -9.130 -3.514 5.788 1.00 0.00 C ATOM 1568 CG LEU A 98 -8.610 -2.185 6.345 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -8.168 -1.322 5.177 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -9.638 -1.427 7.187 1.00 0.00 C ATOM 0 H LEU A 98 -7.660 -4.848 7.379 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.420 -4.022 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.328 -3.992 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.933 -3.304 5.081 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.781 -2.411 7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.793 -0.369 5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.378 -1.832 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.015 -1.144 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.199 -0.497 7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.513 -1.203 6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.936 -2.041 8.037 1.00 0.00 H new ATOM 1582 N PHE A 99 -9.862 -6.942 6.371 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.523 -8.154 5.858 1.00 0.00 C ATOM 1584 C PHE A 99 -12.016 -8.172 6.238 1.00 0.00 C ATOM 1585 O PHE A 99 -12.844 -8.767 5.548 1.00 0.00 O ATOM 1586 CB PHE A 99 -9.868 -9.421 6.430 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.603 -9.929 5.762 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.568 -9.054 5.385 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.445 -11.313 5.542 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.379 -9.562 4.845 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -7.265 -11.816 4.969 1.00 0.00 C ATOM 1592 CZ PHE A 99 -6.217 -10.944 4.646 1.00 0.00 C ATOM 0 H PHE A 99 -9.018 -7.138 6.909 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.418 -8.139 4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.641 -9.235 7.480 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.607 -10.222 6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.690 -7.988 5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.238 -11.992 5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.580 -8.886 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.166 -12.874 4.778 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.291 -11.331 4.247 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.374 -7.499 7.338 1.00 0.00 N ATOM 1603 CA HIS A 100 -13.712 -7.482 7.913 1.00 0.00 C ATOM 1604 C HIS A 100 -14.234 -6.055 8.069 1.00 0.00 C ATOM 1605 O HIS A 100 -15.106 -5.805 8.909 1.00 0.00 O ATOM 1606 CB HIS A 100 -13.724 -8.266 9.235 1.00 0.00 C ATOM 1607 CG HIS A 100 -12.952 -9.557 9.155 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -13.407 -10.754 8.653 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -11.620 -9.697 9.429 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -12.363 -11.600 8.630 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -11.257 -11.010 9.116 1.00 0.00 N ATOM 0 H HIS A 100 -11.711 -6.932 7.867 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.399 -7.980 7.228 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.302 -7.644 10.025 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -14.755 -8.481 9.515 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -10.966 -8.931 9.818 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.407 -12.617 8.270 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -10.337 -11.435 9.233 1.00 0.00 H new ATOM 1619 N TYR A 101 -13.694 -5.105 7.301 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.256 -3.768 7.212 1.00 0.00 C ATOM 1621 C TYR A 101 -15.653 -3.845 6.599 1.00 0.00 C ATOM 1622 O TYR A 101 -15.944 -4.746 5.810 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.319 -2.878 6.396 1.00 0.00 C ATOM 1624 CG TYR A 101 -13.849 -1.480 6.171 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -14.001 -0.605 7.257 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -14.252 -1.072 4.890 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.557 0.671 7.069 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -14.725 0.232 4.683 1.00 0.00 C ATOM 1629 CZ TYR A 101 -14.902 1.110 5.772 1.00 0.00 C ATOM 1630 OH TYR A 101 -15.371 2.371 5.585 1.00 0.00 O ATOM 0 H TYR A 101 -12.861 -5.246 6.730 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.353 -3.327 8.204 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.358 -2.815 6.906 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.137 -3.348 5.429 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.689 -0.914 8.243 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.198 -1.763 4.062 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -14.721 1.318 7.918 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -14.955 0.566 3.682 1.00 0.00 H new ATOM 0 HH TYR A 101 -15.992 2.380 4.827 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.523 -2.903 6.976 1.00 0.00 N ATOM 1641 CA LYS A 102 -17.901 -2.848 6.500 1.00 0.00 C ATOM 1642 C LYS A 102 -18.330 -1.460 6.074 1.00 0.00 C ATOM 1643 O LYS A 102 -18.915 -1.328 5.010 1.00 0.00 O ATOM 1644 CB LYS A 102 -18.867 -3.408 7.540 1.00 0.00 C ATOM 1645 CG LYS A 102 -19.011 -2.607 8.850 1.00 0.00 C ATOM 1646 CD LYS A 102 -20.223 -3.063 9.651 1.00 0.00 C ATOM 1647 CE LYS A 102 -21.539 -2.679 8.948 1.00 0.00 C ATOM 1648 NZ LYS A 102 -22.614 -3.667 9.174 1.00 0.00 N ATOM 0 H LYS A 102 -16.285 -2.153 7.625 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.935 -3.476 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.852 -3.490 7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.548 -4.419 7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.110 -2.726 9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -19.103 -1.545 8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.184 -4.144 9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.195 -2.614 10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.867 -1.703 9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.359 -2.582 7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.476 -3.361 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.316 -4.594 8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -22.807 -3.743 10.193 1.00 0.00 H new ATOM 1662 N GLY A 103 -17.971 -0.442 6.854 1.00 0.00 N ATOM 1663 CA GLY A 103 -18.365 0.931 6.593 1.00 0.00 C ATOM 1664 C GLY A 103 -19.883 1.063 6.490 1.00 0.00 C ATOM 1665 O GLY A 103 -20.640 0.196 6.946 1.00 0.00 O ATOM 0 H GLY A 103 -17.395 -0.553 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.995 1.576 7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.904 1.274 5.667 1.00 0.00 H new ATOM 1669 N HIS A 104 -20.321 2.184 5.928 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.708 2.438 5.561 1.00 0.00 C ATOM 1671 C HIS A 104 -21.774 2.462 4.029 1.00 0.00 C ATOM 1672 O HIS A 104 -20.765 2.796 3.392 1.00 0.00 O ATOM 1673 CB HIS A 104 -22.168 3.776 6.160 1.00 0.00 C ATOM 1674 CG HIS A 104 -21.994 3.926 7.658 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -21.981 5.119 8.348 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -21.818 2.926 8.578 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -21.773 4.846 9.647 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -21.633 3.522 9.831 1.00 0.00 N ATOM 0 H HIS A 104 -19.702 2.964 5.709 1.00 0.00 H new ATOM 0 HA HIS A 104 -22.370 1.664 5.949 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -21.620 4.580 5.668 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -23.222 3.916 5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -21.821 1.866 8.373 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -21.725 5.586 10.432 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -21.432 3.046 10.710 1.00 0.00 H new ATOM 1686 N PRO A 105 -22.908 2.105 3.408 1.00 0.00 N ATOM 1687 CA PRO A 105 -23.016 2.009 1.955 1.00 0.00 C ATOM 1688 C PRO A 105 -22.906 3.383 1.302 1.00 0.00 C ATOM 1689 O PRO A 105 -22.840 4.412 1.978 1.00 0.00 O ATOM 1690 CB PRO A 105 -24.371 1.361 1.676 1.00 0.00 C ATOM 1691 CG PRO A 105 -25.173 1.775 2.902 1.00 0.00 C ATOM 1692 CD PRO A 105 -24.154 1.707 4.031 1.00 0.00 C ATOM 0 HA PRO A 105 -22.205 1.415 1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -24.817 1.729 0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -24.295 0.278 1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -25.585 2.778 2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -26.013 1.103 3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -24.421 2.375 4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -24.088 0.702 4.448 1.00 0.00 H new ATOM 1700 N ASP A 106 -22.834 3.397 -0.024 1.00 0.00 N ATOM 1701 CA ASP A 106 -22.590 4.618 -0.772 1.00 0.00 C ATOM 1702 C ASP A 106 -23.900 5.211 -1.283 1.00 0.00 C ATOM 1703 O ASP A 106 -24.769 4.430 -1.681 1.00 0.00 O ATOM 1704 CB ASP A 106 -21.714 4.286 -1.974 1.00 0.00 C ATOM 1705 CG ASP A 106 -20.923 5.501 -2.381 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -19.901 5.744 -1.706 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -21.365 6.207 -3.309 1.00 0.00 O ATOM 0 H ASP A 106 -22.943 2.566 -0.605 1.00 0.00 H new ATOM 0 HA ASP A 106 -22.103 5.340 -0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.038 3.467 -1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -22.334 3.949 -2.805 1.00 0.00 H new ATOM 1712 N PRO A 107 -24.026 6.542 -1.414 1.00 0.00 N ATOM 1713 CA PRO A 107 -25.165 7.167 -2.077 1.00 0.00 C ATOM 1714 C PRO A 107 -25.389 6.721 -3.524 1.00 0.00 C ATOM 1715 O PRO A 107 -26.539 6.745 -3.966 1.00 0.00 O ATOM 1716 CB PRO A 107 -24.901 8.671 -2.039 1.00 0.00 C ATOM 1717 CG PRO A 107 -23.384 8.757 -1.887 1.00 0.00 C ATOM 1718 CD PRO A 107 -23.094 7.572 -0.981 1.00 0.00 C ATOM 0 HA PRO A 107 -26.073 6.869 -1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -25.243 9.163 -2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -25.417 9.149 -1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -22.872 8.674 -2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -23.071 9.700 -1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -22.061 7.239 -1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -23.246 7.828 0.068 1.00 0.00 H new ATOM 1726 N LEU A 108 -24.333 6.334 -4.252 1.00 0.00 N ATOM 1727 CA LEU A 108 -24.422 5.918 -5.650 1.00 0.00 C ATOM 1728 C LEU A 108 -23.781 4.556 -5.882 1.00 0.00 C ATOM 1729 O LEU A 108 -24.381 3.714 -6.550 1.00 0.00 O ATOM 1730 CB LEU A 108 -23.826 6.959 -6.616 1.00 0.00 C ATOM 1731 CG LEU A 108 -22.504 7.629 -6.203 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -21.478 7.599 -7.337 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -22.748 9.070 -5.767 1.00 0.00 C ATOM 0 H LEU A 108 -23.384 6.302 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 108 -25.487 5.837 -5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -23.672 6.475 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -24.568 7.743 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 108 -22.100 7.062 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -20.558 8.081 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -21.268 6.565 -7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -21.876 8.129 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -21.802 9.528 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -23.186 9.631 -6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -23.431 9.082 -4.918 1.00 0.00 H new ATOM 1745 N LYS A 109 -22.577 4.321 -5.359 1.00 0.00 N ATOM 1746 CA LYS A 109 -21.805 3.107 -5.650 1.00 0.00 C ATOM 1747 C LYS A 109 -22.420 1.840 -5.058 1.00 0.00 C ATOM 1748 O LYS A 109 -21.911 0.760 -5.364 1.00 0.00 O ATOM 1749 CB LYS A 109 -20.363 3.265 -5.146 1.00 0.00 C ATOM 1750 CG LYS A 109 -19.652 4.507 -5.705 1.00 0.00 C ATOM 1751 CD LYS A 109 -19.198 4.368 -7.163 1.00 0.00 C ATOM 1752 CE LYS A 109 -18.113 3.295 -7.279 1.00 0.00 C ATOM 1753 NZ LYS A 109 -17.607 3.159 -8.652 1.00 0.00 N ATOM 0 H LYS A 109 -22.108 4.965 -4.722 1.00 0.00 H new ATOM 0 HA LYS A 109 -21.817 2.988 -6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -20.371 3.320 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -19.792 2.377 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -20.323 5.363 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -18.783 4.724 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -20.048 4.105 -7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -18.816 5.322 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.287 3.543 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -18.515 2.338 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.428 2.156 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.313 3.529 -9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.722 3.696 -8.751 1.00 0.00 H new ATOM 1767 N GLY A 110 -23.461 1.958 -4.232 1.00 0.00 N ATOM 1768 CA GLY A 110 -24.021 0.855 -3.482 1.00 0.00 C ATOM 1769 C GLY A 110 -23.061 0.459 -2.370 1.00 0.00 C ATOM 1770 O GLY A 110 -22.161 1.217 -1.988 1.00 0.00 O ATOM 0 H GLY A 110 -23.941 2.843 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -24.985 1.140 -3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -24.200 0.006 -4.142 1.00 0.00 H new ATOM 1774 N ASP A 111 -23.256 -0.721 -1.800 1.00 0.00 N ATOM 1775 CA ASP A 111 -22.287 -1.341 -0.906 1.00 0.00 C ATOM 1776 C ASP A 111 -21.204 -1.993 -1.770 1.00 0.00 C ATOM 1777 O ASP A 111 -21.129 -3.220 -1.875 1.00 0.00 O ATOM 1778 CB ASP A 111 -22.994 -2.320 0.033 1.00 0.00 C ATOM 1779 CG ASP A 111 -22.048 -3.070 0.968 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -21.231 -2.405 1.651 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -22.172 -4.309 1.079 1.00 0.00 O ATOM 0 H ASP A 111 -24.097 -1.280 -1.945 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.806 -0.607 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -23.723 -1.773 0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -23.550 -3.044 -0.563 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.357 -1.163 -2.395 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.245 -1.625 -3.215 1.00 0.00 C ATOM 1788 C ALA A 112 -17.889 -1.086 -2.761 1.00 0.00 C ATOM 1789 O ALA A 112 -16.878 -1.757 -2.978 1.00 0.00 O ATOM 1790 CB ALA A 112 -19.513 -1.193 -4.652 1.00 0.00 C ATOM 0 H ALA A 112 -20.431 -0.147 -2.341 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.186 -2.709 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -18.695 -1.526 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.447 -1.637 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -19.589 -0.107 -4.697 1.00 0.00 H new ATOM 1796 N LEU A 113 -17.830 0.123 -2.201 1.00 0.00 N ATOM 1797 CA LEU A 113 -16.577 0.811 -1.883 1.00 0.00 C ATOM 1798 C LEU A 113 -15.908 0.163 -0.667 1.00 0.00 C ATOM 1799 O LEU A 113 -14.684 0.071 -0.596 1.00 0.00 O ATOM 1800 CB LEU A 113 -16.881 2.309 -1.641 1.00 0.00 C ATOM 1801 CG LEU A 113 -16.047 3.319 -2.454 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -16.195 3.118 -3.967 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -16.558 4.725 -2.119 1.00 0.00 C ATOM 0 H LEU A 113 -18.661 0.659 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.878 0.726 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -17.935 2.483 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.735 2.520 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 113 -14.998 3.178 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -15.588 3.855 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.862 2.115 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -17.240 3.241 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -15.986 5.463 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -17.612 4.802 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -16.440 4.910 -1.051 1.00 0.00 H new ATOM 1815 N ASN A 114 -16.699 -0.282 0.307 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.235 -0.983 1.499 1.00 0.00 C ATOM 1817 C ASN A 114 -15.989 -2.451 1.181 1.00 0.00 C ATOM 1818 O ASN A 114 -14.985 -3.001 1.629 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.247 -0.911 2.653 1.00 0.00 C ATOM 1820 CG ASN A 114 -17.843 0.473 2.884 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -17.133 1.437 3.144 1.00 0.00 O ATOM 1822 ND2 ASN A 114 -19.150 0.600 2.779 1.00 0.00 N ATOM 0 H ASN A 114 -17.711 -0.160 0.286 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.314 -0.489 1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -18.057 -1.613 2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -16.758 -1.240 3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -19.586 1.512 2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -19.726 -0.214 2.562 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.846 -3.069 0.356 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.633 -4.439 -0.107 1.00 0.00 C ATOM 1831 C LYS A 115 -15.264 -4.552 -0.763 1.00 0.00 C ATOM 1832 O LYS A 115 -14.518 -5.483 -0.469 1.00 0.00 O ATOM 1833 CB LYS A 115 -17.759 -4.885 -1.058 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.715 -6.406 -1.327 1.00 0.00 C ATOM 1835 CD LYS A 115 -17.569 -6.820 -2.799 1.00 0.00 C ATOM 1836 CE LYS A 115 -16.208 -6.427 -3.385 1.00 0.00 C ATOM 1837 NZ LYS A 115 -16.008 -7.002 -4.732 1.00 0.00 N ATOM 0 H LYS A 115 -17.696 -2.635 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.659 -5.111 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.725 -4.620 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.672 -4.346 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.883 -6.831 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.628 -6.852 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.701 -7.899 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -18.362 -6.355 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.134 -5.341 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.413 -6.768 -2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.498 -6.320 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -15.453 -7.878 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.932 -7.213 -5.160 1.00 0.00 H new ATOM 1851 N ALA A 116 -14.910 -3.587 -1.616 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.601 -3.546 -2.244 1.00 0.00 C ATOM 1853 C ALA A 116 -12.486 -3.452 -1.196 1.00 0.00 C ATOM 1854 O ALA A 116 -11.510 -4.188 -1.319 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.527 -2.392 -3.241 1.00 0.00 C ATOM 0 H ALA A 116 -15.525 -2.819 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.453 -4.477 -2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.540 -2.374 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.287 -2.527 -4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.701 -1.450 -2.721 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.613 -2.595 -0.173 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.643 -2.514 0.927 1.00 0.00 C ATOM 1863 C VAL A 117 -11.395 -3.892 1.545 1.00 0.00 C ATOM 1864 O VAL A 117 -10.231 -4.225 1.777 1.00 0.00 O ATOM 1865 CB VAL A 117 -12.068 -1.459 1.971 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -11.451 -1.646 3.365 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -11.719 -0.070 1.456 1.00 0.00 C ATOM 0 H VAL A 117 -13.390 -1.940 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.690 -2.179 0.519 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.143 -1.587 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.807 -0.859 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.742 -2.617 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.365 -1.595 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.018 0.677 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -10.644 -0.004 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.244 0.113 0.519 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.456 -4.668 1.805 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.366 -6.015 2.340 1.00 0.00 C ATOM 1879 C ARG A 118 -11.601 -6.900 1.363 1.00 0.00 C ATOM 1880 O ARG A 118 -10.508 -7.353 1.693 1.00 0.00 O ATOM 1881 CB ARG A 118 -13.780 -6.508 2.731 1.00 0.00 C ATOM 1882 CG ARG A 118 -14.005 -8.021 2.600 1.00 0.00 C ATOM 1883 CD ARG A 118 -15.329 -8.463 3.230 1.00 0.00 C ATOM 1884 NE ARG A 118 -15.647 -9.845 2.842 1.00 0.00 N ATOM 1885 CZ ARG A 118 -15.201 -10.963 3.429 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -14.418 -10.937 4.506 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -15.546 -12.136 2.919 1.00 0.00 N ATOM 0 H ARG A 118 -13.415 -4.362 1.643 1.00 0.00 H new ATOM 0 HA ARG A 118 -11.788 -6.050 3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -13.977 -6.216 3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.512 -5.993 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -13.995 -8.299 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -13.182 -8.552 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -15.265 -8.389 4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -16.130 -7.796 2.912 1.00 0.00 H new ATOM 0 HE ARG A 118 -16.271 -9.964 2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -14.138 -10.044 4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -14.098 -11.810 4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -16.142 -12.177 2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -15.216 -12.998 3.353 1.00 0.00 H new ATOM 1901 N GLU A 119 -12.154 -7.170 0.185 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.676 -8.305 -0.597 1.00 0.00 C ATOM 1903 C GLU A 119 -10.309 -8.033 -1.212 1.00 0.00 C ATOM 1904 O GLU A 119 -9.512 -8.949 -1.420 1.00 0.00 O ATOM 1905 CB GLU A 119 -12.635 -8.612 -1.737 1.00 0.00 C ATOM 1906 CG GLU A 119 -14.091 -8.858 -1.343 1.00 0.00 C ATOM 1907 CD GLU A 119 -14.821 -9.539 -2.494 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -14.590 -9.138 -3.663 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -15.628 -10.459 -2.226 1.00 0.00 O ATOM 0 H GLU A 119 -12.912 -6.636 -0.240 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.608 -9.147 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.606 -7.782 -2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.269 -9.492 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.137 -9.481 -0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.577 -7.914 -1.098 1.00 0.00 H new ATOM 1916 N THR A 120 -10.022 -6.774 -1.533 1.00 0.00 N ATOM 1917 CA THR A 120 -8.727 -6.404 -2.076 1.00 0.00 C ATOM 1918 C THR A 120 -7.659 -6.656 -0.993 1.00 0.00 C ATOM 1919 O THR A 120 -6.520 -6.971 -1.340 1.00 0.00 O ATOM 1920 CB THR A 120 -8.790 -4.935 -2.548 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.931 -4.696 -3.346 1.00 0.00 O ATOM 1922 CG2 THR A 120 -7.593 -4.456 -3.363 1.00 0.00 C ATOM 0 H THR A 120 -10.672 -5.996 -1.425 1.00 0.00 H new ATOM 0 HA THR A 120 -8.457 -7.005 -2.944 1.00 0.00 H new ATOM 0 HB THR A 120 -8.811 -4.381 -1.609 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.657 -4.352 -2.784 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.738 -3.413 -3.644 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.686 -4.548 -2.766 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.499 -5.064 -4.263 1.00 0.00 H new ATOM 1930 N ALA A 121 -7.992 -6.489 0.303 1.00 0.00 N ATOM 1931 CA ALA A 121 -7.036 -6.615 1.399 1.00 0.00 C ATOM 1932 C ALA A 121 -6.599 -8.067 1.560 1.00 0.00 C ATOM 1933 O ALA A 121 -5.421 -8.291 1.837 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.617 -6.083 2.719 1.00 0.00 C ATOM 0 H ALA A 121 -8.938 -6.262 0.610 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.165 -6.008 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.878 -6.193 3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -7.873 -5.030 2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.512 -6.649 2.977 1.00 0.00 H new ATOM 1940 N HIS A 122 -7.512 -9.025 1.342 1.00 0.00 N ATOM 1941 CA HIS A 122 -7.173 -10.446 1.304 1.00 0.00 C ATOM 1942 C HIS A 122 -6.056 -10.650 0.285 1.00 0.00 C ATOM 1943 O HIS A 122 -5.009 -11.219 0.594 1.00 0.00 O ATOM 1944 CB HIS A 122 -8.397 -11.316 0.969 1.00 0.00 C ATOM 1945 CG HIS A 122 -9.436 -11.458 2.058 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -9.997 -12.644 2.475 1.00 0.00 N ATOM 1947 CD2 HIS A 122 -10.057 -10.454 2.753 1.00 0.00 C ATOM 1948 CE1 HIS A 122 -10.930 -12.367 3.399 1.00 0.00 C ATOM 1949 NE2 HIS A 122 -11.026 -11.039 3.573 1.00 0.00 N ATOM 0 H HIS A 122 -8.502 -8.832 1.188 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.834 -10.760 2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.882 -10.899 0.086 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -8.045 -12.312 0.700 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.837 -9.399 2.680 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -11.518 -13.104 3.926 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -11.680 -10.551 4.185 1.00 0.00 H new ATOM 1957 N GLU A 123 -6.253 -10.115 -0.921 1.00 0.00 N ATOM 1958 CA GLU A 123 -5.286 -10.229 -1.998 1.00 0.00 C ATOM 1959 C GLU A 123 -3.955 -9.558 -1.662 1.00 0.00 C ATOM 1960 O GLU A 123 -2.904 -10.019 -2.107 1.00 0.00 O ATOM 1961 CB GLU A 123 -5.874 -9.629 -3.288 1.00 0.00 C ATOM 1962 CG GLU A 123 -5.982 -10.693 -4.371 1.00 0.00 C ATOM 1963 CD GLU A 123 -4.607 -11.214 -4.772 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -3.950 -10.516 -5.581 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -4.158 -12.249 -4.233 1.00 0.00 O ATOM 0 H GLU A 123 -7.091 -9.591 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.079 -11.289 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -6.859 -9.208 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -5.243 -8.811 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.596 -11.519 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.485 -10.277 -5.244 1.00 0.00 H new ATOM 1972 N THR A 124 -3.973 -8.451 -0.917 1.00 0.00 N ATOM 1973 CA THR A 124 -2.747 -7.753 -0.572 1.00 0.00 C ATOM 1974 C THR A 124 -1.848 -8.661 0.276 1.00 0.00 C ATOM 1975 O THR A 124 -0.651 -8.733 0.008 1.00 0.00 O ATOM 1976 CB THR A 124 -3.065 -6.438 0.151 1.00 0.00 C ATOM 1977 OG1 THR A 124 -3.924 -5.593 -0.588 1.00 0.00 O ATOM 1978 CG2 THR A 124 -1.784 -5.657 0.420 1.00 0.00 C ATOM 0 H THR A 124 -4.822 -8.025 -0.546 1.00 0.00 H new ATOM 0 HA THR A 124 -2.207 -7.503 -1.485 1.00 0.00 H new ATOM 0 HB THR A 124 -3.563 -6.724 1.077 1.00 0.00 H new ATOM 0 HG1 THR A 124 -4.778 -6.049 -0.742 1.00 0.00 H new ATOM 0 HG21 THR A 124 -2.026 -4.727 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.119 -6.253 1.044 1.00 0.00 H new ATOM 0 HG23 THR A 124 -1.290 -5.432 -0.525 1.00 0.00 H new ATOM 1986 N ILE A 125 -2.396 -9.351 1.281 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.615 -10.201 2.185 1.00 0.00 C ATOM 1988 C ILE A 125 -0.908 -11.322 1.429 1.00 0.00 C ATOM 1989 O ILE A 125 0.231 -11.648 1.773 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.515 -10.716 3.328 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -3.039 -9.550 4.183 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.825 -11.735 4.244 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -1.984 -8.567 4.676 1.00 0.00 C ATOM 0 H ILE A 125 -3.394 -9.336 1.491 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.821 -9.606 2.637 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.342 -11.227 2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.778 -9.000 3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.558 -9.962 5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.518 -12.052 5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.517 -12.601 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.949 -11.277 4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.462 -7.786 5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.255 -9.094 5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.479 -8.116 3.822 1.00 0.00 H new ATOM 2005 N SER A 126 -1.524 -11.827 0.360 1.00 0.00 N ATOM 2006 CA SER A 126 -0.857 -12.734 -0.573 1.00 0.00 C ATOM 2007 C SER A 126 0.519 -12.174 -0.988 1.00 0.00 C ATOM 2008 O SER A 126 1.531 -12.874 -0.919 1.00 0.00 O ATOM 2009 CB SER A 126 -1.765 -12.994 -1.790 1.00 0.00 C ATOM 2010 OG SER A 126 -1.655 -14.330 -2.242 1.00 0.00 O ATOM 0 H SER A 126 -2.493 -11.620 0.118 1.00 0.00 H new ATOM 0 HA SER A 126 -0.677 -13.689 -0.079 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.801 -12.783 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.497 -12.312 -2.597 1.00 0.00 H new ATOM 0 HG SER A 126 -2.244 -14.464 -3.014 1.00 0.00 H new ATOM 2016 N ALA A 127 0.583 -10.905 -1.409 1.00 0.00 N ATOM 2017 CA ALA A 127 1.818 -10.270 -1.844 1.00 0.00 C ATOM 2018 C ALA A 127 2.729 -9.940 -0.661 1.00 0.00 C ATOM 2019 O ALA A 127 3.945 -10.096 -0.788 1.00 0.00 O ATOM 2020 CB ALA A 127 1.504 -9.007 -2.647 1.00 0.00 C ATOM 0 H ALA A 127 -0.231 -10.292 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 127 2.352 -10.975 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.435 -8.539 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.910 -9.270 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 127 0.943 -8.310 -2.024 1.00 0.00 H new ATOM 2026 N ILE A 128 2.191 -9.489 0.484 1.00 0.00 N ATOM 2027 CA ILE A 128 3.006 -9.120 1.652 1.00 0.00 C ATOM 2028 C ILE A 128 3.916 -10.283 2.085 1.00 0.00 C ATOM 2029 O ILE A 128 5.015 -10.024 2.578 1.00 0.00 O ATOM 2030 CB ILE A 128 2.156 -8.564 2.814 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.425 -7.273 2.383 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.074 -8.282 4.017 1.00 0.00 C ATOM 2033 CD1 ILE A 128 0.725 -6.531 3.531 1.00 0.00 C ATOM 0 H ILE A 128 1.188 -9.371 0.625 1.00 0.00 H new ATOM 0 HA ILE A 128 3.657 -8.301 1.347 1.00 0.00 H new ATOM 0 HB ILE A 128 1.403 -9.300 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.145 -6.600 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.685 -7.525 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.481 -7.889 4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.561 -9.206 4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.831 -7.551 3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.237 -5.637 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -0.021 -7.184 3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.461 -6.245 4.282 1.00 0.00 H new ATOM 2045 N PHE A 129 3.521 -11.532 1.847 1.00 0.00 N ATOM 2046 CA PHE A 129 4.314 -12.700 2.217 1.00 0.00 C ATOM 2047 C PHE A 129 4.854 -13.459 0.998 1.00 0.00 C ATOM 2048 O PHE A 129 5.295 -14.599 1.149 1.00 0.00 O ATOM 2049 CB PHE A 129 3.514 -13.545 3.215 1.00 0.00 C ATOM 2050 CG PHE A 129 3.264 -12.787 4.508 1.00 0.00 C ATOM 2051 CD1 PHE A 129 4.276 -12.737 5.484 1.00 0.00 C ATOM 2052 CD2 PHE A 129 2.078 -12.051 4.700 1.00 0.00 C ATOM 2053 CE1 PHE A 129 4.106 -11.951 6.635 1.00 0.00 C ATOM 2054 CE2 PHE A 129 1.911 -11.265 5.852 1.00 0.00 C ATOM 2055 CZ PHE A 129 2.929 -11.207 6.817 1.00 0.00 C ATOM 0 H PHE A 129 2.638 -11.762 1.390 1.00 0.00 H new ATOM 0 HA PHE A 129 5.226 -12.386 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.561 -13.832 2.770 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.055 -14.466 3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.185 -13.304 5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 129 1.294 -12.091 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 129 4.884 -11.918 7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 129 0.999 -10.705 5.996 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.807 -10.592 7.697 1.00 0.00 H new ATOM 2065 N SER A 130 4.881 -12.835 -0.186 1.00 0.00 N ATOM 2066 CA SER A 130 5.498 -13.353 -1.405 1.00 0.00 C ATOM 2067 C SER A 130 6.911 -13.878 -1.102 1.00 0.00 C ATOM 2068 O SER A 130 7.784 -13.138 -0.629 1.00 0.00 O ATOM 2069 CB SER A 130 5.496 -12.245 -2.468 1.00 0.00 C ATOM 2070 OG SER A 130 6.034 -12.675 -3.703 1.00 0.00 O ATOM 0 H SER A 130 4.455 -11.918 -0.322 1.00 0.00 H new ATOM 0 HA SER A 130 4.929 -14.197 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.475 -11.897 -2.622 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.071 -11.394 -2.102 1.00 0.00 H new ATOM 0 HG SER A 130 6.009 -11.936 -4.346 1.00 0.00 H new