USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 HIS : no HE2:sc= -6.83! C(o=-5.8!,f=-7.2!) USER MOD Set 1.2: A 83 TYR OH : rot 0:sc= 1.02 USER MOD Set 2.1: A 58 ASN : amide:sc= -0.0821 K(o=0.4,f=-1.7) USER MOD Set 2.2: A 69 LYS NZ :NH3+ -134:sc= 0.483 (180deg=0.111) USER MOD Set 3.1: A 37 GLN :FLIP amide:sc= -1.03 F(o=-1.9,f=-1.1) USER MOD Set 3.2: A 46 LYS NZ :NH3+ 180:sc= -0.0714 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 150:sc= -0.18 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -3.74! C(o=-3.7!,f=-13!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.69) USER MOD Single : A 47 ASN : amide:sc= -0.0653 K(o=-0.065,f=-0.89) USER MOD Single : A 48 SER OG : rot 180:sc= -0.754 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc=-0.00729 X(o=-0.0073,f=0) USER MOD Single : A 60 ASN : amide:sc=-0.00323 K(o=-0.0032,f=-1.8) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00637) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -3.1! USER MOD Single : A 67 THR OG1 : rot 21:sc= 0.37 USER MOD Single : A 71 TYR OH : rot -39:sc= -1.13 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0747 K(o=-0.075,f=-1.7!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 10.003 4.352 5.674 1.00 0.00 N ATOM 100 CA SER A 10 10.154 3.447 6.807 1.00 0.00 C ATOM 101 C SER A 10 9.321 3.918 7.995 1.00 0.00 C ATOM 102 O SER A 10 8.472 3.185 8.500 1.00 0.00 O ATOM 103 CB SER A 10 11.626 3.344 7.211 1.00 0.00 C ATOM 104 OG SER A 10 11.772 2.637 8.431 1.00 0.00 O ATOM 0 HA SER A 10 9.797 2.463 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.188 2.839 6.425 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.049 4.343 7.313 1.00 0.00 H new ATOM 0 HG SER A 10 12.722 2.584 8.666 1.00 0.00 H new ATOM 110 N GLN A 11 9.570 5.148 8.434 1.00 0.00 N ATOM 111 CA GLN A 11 8.844 5.718 9.562 1.00 0.00 C ATOM 112 C GLN A 11 7.346 5.459 9.432 1.00 0.00 C ATOM 113 O GLN A 11 6.659 5.220 10.425 1.00 0.00 O ATOM 114 CB GLN A 11 9.107 7.221 9.658 1.00 0.00 C ATOM 115 CG GLN A 11 10.513 7.565 10.123 1.00 0.00 C ATOM 116 CD GLN A 11 10.719 9.055 10.307 1.00 0.00 C ATOM 117 OE1 GLN A 11 11.468 9.687 9.561 1.00 0.00 O ATOM 118 NE2 GLN A 11 10.054 9.627 11.304 1.00 0.00 N ATOM 0 H GLN A 11 10.269 5.768 8.025 1.00 0.00 H new ATOM 0 HA GLN A 11 9.200 5.235 10.472 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.935 7.674 8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.387 7.664 10.346 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.715 7.055 11.065 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.234 7.189 9.397 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.444 9.066 11.898 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.153 10.628 11.476 1.00 0.00 H new ATOM 127 N ARG A 12 6.847 5.508 8.201 1.00 0.00 N ATOM 128 CA ARG A 12 5.431 5.280 7.942 1.00 0.00 C ATOM 129 C ARG A 12 5.055 3.827 8.216 1.00 0.00 C ATOM 130 O ARG A 12 5.877 2.917 8.110 1.00 0.00 O ATOM 131 CB ARG A 12 5.091 5.643 6.495 1.00 0.00 C ATOM 132 CG ARG A 12 5.532 7.042 6.098 1.00 0.00 C ATOM 133 CD ARG A 12 4.521 8.090 6.535 1.00 0.00 C ATOM 134 NE ARG A 12 5.153 9.377 6.812 1.00 0.00 N ATOM 135 CZ ARG A 12 5.736 9.676 7.967 1.00 0.00 C ATOM 136 NH1 ARG A 12 5.769 8.784 8.947 1.00 0.00 N ATOM 137 NH2 ARG A 12 6.290 10.869 8.143 1.00 0.00 N ATOM 0 H ARG A 12 7.402 5.703 7.368 1.00 0.00 H new ATOM 0 HA ARG A 12 4.857 5.918 8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.561 4.920 5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.014 5.556 6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.501 7.260 6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.663 7.090 5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.769 8.215 5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.001 7.742 7.427 1.00 0.00 H new ATOM 0 HE ARG A 12 5.146 10.085 6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.346 7.865 8.815 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.217 9.016 9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.268 11.557 7.391 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.738 11.098 9.031 1.00 0.00 H new ATOM 151 N PRO A 13 3.782 3.603 8.577 1.00 0.00 N ATOM 152 CA PRO A 13 3.268 2.263 8.873 1.00 0.00 C ATOM 153 C PRO A 13 3.171 1.390 7.627 1.00 0.00 C ATOM 154 O PRO A 13 2.948 1.890 6.523 1.00 0.00 O ATOM 155 CB PRO A 13 1.875 2.536 9.445 1.00 0.00 C ATOM 156 CG PRO A 13 1.477 3.848 8.864 1.00 0.00 C ATOM 157 CD PRO A 13 2.748 4.641 8.723 1.00 0.00 C ATOM 0 HA PRO A 13 3.923 1.716 9.552 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.172 1.751 9.167 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.895 2.575 10.534 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.990 3.715 7.898 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.766 4.362 9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.716 5.301 7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.929 5.269 9.595 1.00 0.00 H new ATOM 165 N TYR A 14 3.339 0.085 7.809 1.00 0.00 N ATOM 166 CA TYR A 14 3.272 -0.857 6.698 1.00 0.00 C ATOM 167 C TYR A 14 1.982 -0.672 5.904 1.00 0.00 C ATOM 168 O TYR A 14 2.010 -0.295 4.732 1.00 0.00 O ATOM 169 CB TYR A 14 3.365 -2.294 7.213 1.00 0.00 C ATOM 170 CG TYR A 14 3.821 -3.285 6.166 1.00 0.00 C ATOM 171 CD1 TYR A 14 4.937 -3.029 5.379 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.135 -4.476 5.963 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.356 -3.931 4.420 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.548 -5.384 5.008 1.00 0.00 C ATOM 175 CZ TYR A 14 4.659 -5.107 4.239 1.00 0.00 C ATOM 176 OH TYR A 14 5.074 -6.009 3.286 1.00 0.00 O ATOM 0 H TYR A 14 3.523 -0.345 8.716 1.00 0.00 H new ATOM 0 HA TYR A 14 4.116 -0.660 6.037 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.056 -2.325 8.056 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.389 -2.600 7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.486 -2.110 5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.264 -4.695 6.562 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.225 -3.716 3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.004 -6.306 4.864 1.00 0.00 H new ATOM 0 HH TYR A 14 4.838 -6.917 3.570 1.00 0.00 H new ATOM 186 N ARG A 15 0.853 -0.940 6.552 1.00 0.00 N ATOM 187 CA ARG A 15 -0.448 -0.804 5.907 1.00 0.00 C ATOM 188 C ARG A 15 -0.442 0.350 4.909 1.00 0.00 C ATOM 189 O ARG A 15 -0.720 0.161 3.725 1.00 0.00 O ATOM 190 CB ARG A 15 -1.539 -0.580 6.956 1.00 0.00 C ATOM 191 CG ARG A 15 -2.729 0.210 6.437 1.00 0.00 C ATOM 192 CD ARG A 15 -3.985 -0.080 7.245 1.00 0.00 C ATOM 193 NE ARG A 15 -3.995 0.638 8.517 1.00 0.00 N ATOM 194 CZ ARG A 15 -4.722 0.266 9.564 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.493 -0.810 9.492 1.00 0.00 N ATOM 196 NH2 ARG A 15 -4.678 0.971 10.688 1.00 0.00 N ATOM 0 H ARG A 15 0.813 -1.252 7.522 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.657 -1.727 5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.886 -1.547 7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.109 -0.055 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.506 1.276 6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.903 -0.038 5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.863 0.201 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.056 -1.151 7.433 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.412 1.470 8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.529 -1.355 8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.050 -1.093 10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.085 1.799 10.748 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.237 0.685 11.492 1.00 0.00 H new ATOM 210 N ASP A 16 -0.125 1.545 5.396 1.00 0.00 N ATOM 211 CA ASP A 16 -0.083 2.730 4.547 1.00 0.00 C ATOM 212 C ASP A 16 0.669 2.443 3.251 1.00 0.00 C ATOM 213 O ASP A 16 0.098 2.513 2.162 1.00 0.00 O ATOM 214 CB ASP A 16 0.580 3.892 5.289 1.00 0.00 C ATOM 215 CG ASP A 16 -0.379 4.603 6.225 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.334 3.954 6.700 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.172 5.807 6.482 1.00 0.00 O ATOM 0 H ASP A 16 0.107 1.719 6.374 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.108 3.005 4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.430 3.517 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.972 4.606 4.564 1.00 0.00 H new ATOM 222 N ARG A 17 1.952 2.122 3.376 1.00 0.00 N ATOM 223 CA ARG A 17 2.783 1.827 2.214 1.00 0.00 C ATOM 224 C ARG A 17 2.094 0.824 1.294 1.00 0.00 C ATOM 225 O ARG A 17 2.221 0.897 0.072 1.00 0.00 O ATOM 226 CB ARG A 17 4.141 1.279 2.658 1.00 0.00 C ATOM 227 CG ARG A 17 4.870 2.181 3.641 1.00 0.00 C ATOM 228 CD ARG A 17 5.774 1.381 4.565 1.00 0.00 C ATOM 229 NE ARG A 17 7.043 1.040 3.929 1.00 0.00 N ATOM 230 CZ ARG A 17 8.039 0.426 4.558 1.00 0.00 C ATOM 231 NH1 ARG A 17 7.913 0.086 5.834 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.164 0.149 3.911 1.00 0.00 N ATOM 0 H ARG A 17 2.439 2.059 4.270 1.00 0.00 H new ATOM 0 HA ARG A 17 2.936 2.755 1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.996 0.300 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.769 1.131 1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.464 2.913 3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.144 2.738 4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.966 1.956 5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.264 0.467 4.869 1.00 0.00 H new ATOM 0 HE ARG A 17 7.172 1.287 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.050 0.296 6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.680 -0.385 6.314 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.265 0.408 2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.928 -0.322 4.395 1.00 0.00 H new ATOM 246 N VAL A 18 1.364 -0.114 1.890 1.00 0.00 N ATOM 247 CA VAL A 18 0.654 -1.132 1.124 1.00 0.00 C ATOM 248 C VAL A 18 -0.516 -0.526 0.357 1.00 0.00 C ATOM 249 O VAL A 18 -0.540 -0.545 -0.874 1.00 0.00 O ATOM 250 CB VAL A 18 0.129 -2.256 2.036 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.663 -3.273 1.229 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.280 -2.926 2.772 1.00 0.00 C ATOM 0 H VAL A 18 1.249 -0.190 2.901 1.00 0.00 H new ATOM 0 HA VAL A 18 1.369 -1.552 0.417 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.539 -1.817 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.026 -4.060 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.510 -2.780 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.021 -3.710 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.891 -3.718 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.975 -3.353 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.800 -2.188 3.383 1.00 0.00 H new ATOM 262 N ILE A 19 -1.483 0.012 1.092 1.00 0.00 N ATOM 263 CA ILE A 19 -2.656 0.625 0.481 1.00 0.00 C ATOM 264 C ILE A 19 -2.253 1.666 -0.558 1.00 0.00 C ATOM 265 O ILE A 19 -2.894 1.798 -1.601 1.00 0.00 O ATOM 266 CB ILE A 19 -3.557 1.291 1.537 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.800 2.411 2.252 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.055 0.258 2.537 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.669 3.233 3.178 1.00 0.00 C ATOM 0 H ILE A 19 -1.477 0.036 2.112 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.213 -0.175 -0.007 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.421 1.726 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.981 1.976 2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.353 3.069 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.691 0.745 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.628 -0.508 2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.204 -0.204 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.066 4.008 3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.473 3.697 2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.096 2.587 3.945 1.00 0.00 H new ATOM 281 N HIS A 20 -1.185 2.402 -0.266 1.00 0.00 N ATOM 282 CA HIS A 20 -0.695 3.431 -1.177 1.00 0.00 C ATOM 283 C HIS A 20 -0.295 2.824 -2.518 1.00 0.00 C ATOM 284 O HIS A 20 -0.565 3.395 -3.575 1.00 0.00 O ATOM 285 CB HIS A 20 0.497 4.162 -0.558 1.00 0.00 C ATOM 286 CG HIS A 20 0.105 5.285 0.352 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.212 5.213 1.725 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.395 6.513 0.079 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.206 6.347 2.257 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.580 7.153 1.280 1.00 0.00 N ATOM 0 H HIS A 20 -0.643 2.305 0.593 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.501 4.145 -1.348 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.101 3.447 0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.126 4.555 -1.357 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.560 4.409 2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.609 6.915 -0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.237 6.576 3.312 1.00 0.00 H new ATOM 298 N LEU A 21 0.351 1.664 -2.467 1.00 0.00 N ATOM 299 CA LEU A 21 0.790 0.979 -3.678 1.00 0.00 C ATOM 300 C LEU A 21 -0.398 0.386 -4.429 1.00 0.00 C ATOM 301 O LEU A 21 -0.491 0.497 -5.653 1.00 0.00 O ATOM 302 CB LEU A 21 1.790 -0.124 -3.330 1.00 0.00 C ATOM 303 CG LEU A 21 3.175 0.342 -2.880 1.00 0.00 C ATOM 304 CD1 LEU A 21 4.035 -0.846 -2.481 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.851 1.147 -3.981 1.00 0.00 C ATOM 0 H LEU A 21 0.582 1.178 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 21 1.276 1.711 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.361 -0.739 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.911 -0.766 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 21 3.055 0.986 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.017 -0.494 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.558 -1.381 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.148 -1.516 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.836 1.470 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.958 0.527 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.244 2.021 -4.218 1.00 0.00 H new ATOM 317 N LEU A 22 -1.306 -0.241 -3.689 1.00 0.00 N ATOM 318 CA LEU A 22 -2.491 -0.849 -4.284 1.00 0.00 C ATOM 319 C LEU A 22 -3.421 0.215 -4.856 1.00 0.00 C ATOM 320 O LEU A 22 -4.155 -0.036 -5.811 1.00 0.00 O ATOM 321 CB LEU A 22 -3.235 -1.688 -3.243 1.00 0.00 C ATOM 322 CG LEU A 22 -2.503 -2.930 -2.735 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.217 -3.512 -1.524 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.388 -3.971 -3.839 1.00 0.00 C ATOM 0 H LEU A 22 -1.244 -0.342 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.167 -1.496 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.464 -1.051 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.187 -2.002 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.497 -2.637 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.682 -4.396 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.247 -2.769 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.234 -3.789 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.864 -4.848 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.385 -4.260 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.832 -3.552 -4.678 1.00 0.00 H new ATOM 336 N ALA A 23 -3.383 1.406 -4.266 1.00 0.00 N ATOM 337 CA ALA A 23 -4.220 2.510 -4.719 1.00 0.00 C ATOM 338 C ALA A 23 -4.082 2.721 -6.223 1.00 0.00 C ATOM 339 O ALA A 23 -5.009 2.446 -6.986 1.00 0.00 O ATOM 340 CB ALA A 23 -3.862 3.785 -3.970 1.00 0.00 C ATOM 0 H ALA A 23 -2.781 1.630 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.259 2.257 -4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.495 4.601 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.018 3.635 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.816 4.033 -4.153 1.00 0.00 H new ATOM 346 N LEU A 24 -2.921 3.212 -6.643 1.00 0.00 N ATOM 347 CA LEU A 24 -2.663 3.462 -8.057 1.00 0.00 C ATOM 348 C LEU A 24 -3.219 2.334 -8.919 1.00 0.00 C ATOM 349 O LEU A 24 -3.932 2.576 -9.894 1.00 0.00 O ATOM 350 CB LEU A 24 -1.160 3.613 -8.302 1.00 0.00 C ATOM 351 CG LEU A 24 -0.563 4.985 -7.987 1.00 0.00 C ATOM 352 CD1 LEU A 24 0.844 5.097 -8.553 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.452 6.092 -8.538 1.00 0.00 C ATOM 0 H LEU A 24 -2.144 3.445 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.165 4.389 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.638 2.866 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.958 3.382 -9.348 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.507 5.096 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.253 6.080 -8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.476 4.327 -8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.813 4.965 -9.635 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.012 7.062 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.540 5.984 -9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.441 6.024 -8.085 1.00 0.00 H new ATOM 365 N LYS A 25 -2.891 1.099 -8.554 1.00 0.00 N ATOM 366 CA LYS A 25 -3.360 -0.068 -9.291 1.00 0.00 C ATOM 367 C LYS A 25 -3.304 -1.320 -8.421 1.00 0.00 C ATOM 368 O LYS A 25 -2.757 -1.297 -7.319 1.00 0.00 O ATOM 369 CB LYS A 25 -2.519 -0.272 -10.553 1.00 0.00 C ATOM 370 CG LYS A 25 -1.137 -0.840 -10.277 1.00 0.00 C ATOM 371 CD LYS A 25 -0.530 -1.461 -11.524 1.00 0.00 C ATOM 372 CE LYS A 25 0.477 -2.545 -11.173 1.00 0.00 C ATOM 373 NZ LYS A 25 1.338 -2.899 -12.336 1.00 0.00 N ATOM 0 H LYS A 25 -2.301 0.881 -7.751 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.397 0.107 -9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.050 -0.942 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.414 0.683 -11.068 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.484 -0.048 -9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.202 -1.591 -9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.321 -1.884 -12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.042 -0.687 -12.116 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.103 -2.206 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.051 -3.434 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.011 -3.641 -12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.743 -3.247 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.862 -2.057 -12.649 1.00 0.00 H new ATOM 387 N ALA A 26 -3.872 -2.411 -8.925 1.00 0.00 N ATOM 388 CA ALA A 26 -3.883 -3.672 -8.195 1.00 0.00 C ATOM 389 C ALA A 26 -2.510 -4.335 -8.224 1.00 0.00 C ATOM 390 O ALA A 26 -1.836 -4.345 -9.255 1.00 0.00 O ATOM 391 CB ALA A 26 -4.934 -4.608 -8.774 1.00 0.00 C ATOM 0 H ALA A 26 -4.330 -2.446 -9.836 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.134 -3.459 -7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.931 -5.546 -8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.917 -4.144 -8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.708 -4.806 -9.822 1.00 0.00 H new ATOM 397 N TYR A 27 -2.100 -4.886 -7.087 1.00 0.00 N ATOM 398 CA TYR A 27 -0.805 -5.548 -6.981 1.00 0.00 C ATOM 399 C TYR A 27 -0.959 -6.959 -6.420 1.00 0.00 C ATOM 400 O TYR A 27 -1.891 -7.243 -5.668 1.00 0.00 O ATOM 401 CB TYR A 27 0.137 -4.733 -6.093 1.00 0.00 C ATOM 402 CG TYR A 27 0.942 -3.702 -6.851 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.372 -2.496 -7.240 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.272 -3.934 -7.177 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.104 -1.551 -7.933 1.00 0.00 C ATOM 406 CE2 TYR A 27 3.012 -2.994 -7.869 1.00 0.00 C ATOM 407 CZ TYR A 27 2.424 -1.804 -8.245 1.00 0.00 C ATOM 408 OH TYR A 27 3.156 -0.865 -8.934 1.00 0.00 O ATOM 0 H TYR A 27 -2.646 -4.887 -6.225 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.378 -5.619 -7.982 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.448 -4.231 -5.322 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.820 -5.412 -5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.661 -2.294 -6.997 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.736 -4.865 -6.885 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.645 -0.619 -8.229 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.045 -3.190 -8.114 1.00 0.00 H new ATOM 0 HH TYR A 27 4.067 -1.198 -9.073 1.00 0.00 H new ATOM 418 N LYS A 28 -0.036 -7.840 -6.791 1.00 0.00 N ATOM 419 CA LYS A 28 -0.064 -9.221 -6.325 1.00 0.00 C ATOM 420 C LYS A 28 0.789 -9.390 -5.072 1.00 0.00 C ATOM 421 O LYS A 28 1.790 -8.696 -4.892 1.00 0.00 O ATOM 422 CB LYS A 28 0.433 -10.162 -7.424 1.00 0.00 C ATOM 423 CG LYS A 28 -0.393 -10.100 -8.697 1.00 0.00 C ATOM 424 CD LYS A 28 0.452 -10.398 -9.925 1.00 0.00 C ATOM 425 CE LYS A 28 -0.137 -9.763 -11.175 1.00 0.00 C ATOM 426 NZ LYS A 28 0.226 -10.519 -12.405 1.00 0.00 N ATOM 0 H LYS A 28 0.742 -7.621 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.095 -9.474 -6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.468 -9.916 -7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.426 -11.184 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.212 -10.816 -8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.841 -9.111 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.465 -10.026 -9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.526 -11.477 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.222 -9.719 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.218 -8.736 -11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.195 -10.054 -13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.261 -10.540 -12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.134 -11.492 -12.333 1.00 0.00 H new ATOM 440 N LYS A 29 0.387 -10.317 -4.208 1.00 0.00 N ATOM 441 CA LYS A 29 1.116 -10.579 -2.973 1.00 0.00 C ATOM 442 C LYS A 29 2.619 -10.420 -3.184 1.00 0.00 C ATOM 443 O LYS A 29 3.292 -9.669 -2.479 1.00 0.00 O ATOM 444 CB LYS A 29 0.808 -11.990 -2.465 1.00 0.00 C ATOM 445 CG LYS A 29 1.830 -12.516 -1.472 1.00 0.00 C ATOM 446 CD LYS A 29 1.450 -12.166 -0.043 1.00 0.00 C ATOM 447 CE LYS A 29 2.681 -11.950 0.824 1.00 0.00 C ATOM 448 NZ LYS A 29 3.437 -13.215 1.038 1.00 0.00 N ATOM 0 H LYS A 29 -0.440 -10.899 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 29 0.793 -9.852 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.176 -11.991 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.757 -12.670 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.913 -13.598 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.810 -12.098 -1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.838 -11.264 -0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.842 -12.966 0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.332 -11.213 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.379 -11.540 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.268 -13.026 1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.824 -13.910 1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.747 -13.594 0.120 1.00 0.00 H new ATOM 462 N PRO A 30 3.158 -11.143 -4.177 1.00 0.00 N ATOM 463 CA PRO A 30 4.586 -11.097 -4.504 1.00 0.00 C ATOM 464 C PRO A 30 4.997 -9.764 -5.119 1.00 0.00 C ATOM 465 O PRO A 30 5.957 -9.135 -4.674 1.00 0.00 O ATOM 466 CB PRO A 30 4.753 -12.229 -5.521 1.00 0.00 C ATOM 467 CG PRO A 30 3.407 -12.386 -6.139 1.00 0.00 C ATOM 468 CD PRO A 30 2.415 -12.060 -5.057 1.00 0.00 C ATOM 0 HA PRO A 30 5.211 -11.206 -3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.506 -11.981 -6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.076 -13.151 -5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.289 -11.717 -6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.263 -13.402 -6.508 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.519 -11.590 -5.462 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.093 -12.955 -4.525 1.00 0.00 H new ATOM 476 N GLU A 31 4.264 -9.339 -6.144 1.00 0.00 N ATOM 477 CA GLU A 31 4.555 -8.080 -6.819 1.00 0.00 C ATOM 478 C GLU A 31 4.580 -6.922 -5.825 1.00 0.00 C ATOM 479 O GLU A 31 5.614 -6.284 -5.623 1.00 0.00 O ATOM 480 CB GLU A 31 3.515 -7.808 -7.909 1.00 0.00 C ATOM 481 CG GLU A 31 3.909 -6.691 -8.860 1.00 0.00 C ATOM 482 CD GLU A 31 4.710 -7.190 -10.047 1.00 0.00 C ATOM 483 OE1 GLU A 31 4.490 -8.345 -10.467 1.00 0.00 O ATOM 484 OE2 GLU A 31 5.557 -6.426 -10.555 1.00 0.00 O ATOM 0 H GLU A 31 3.466 -9.848 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 31 5.540 -8.163 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.354 -8.721 -8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.565 -7.555 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.010 -6.190 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.494 -5.947 -8.319 1.00 0.00 H new ATOM 491 N LEU A 32 3.434 -6.656 -5.207 1.00 0.00 N ATOM 492 CA LEU A 32 3.323 -5.575 -4.234 1.00 0.00 C ATOM 493 C LEU A 32 4.580 -5.485 -3.374 1.00 0.00 C ATOM 494 O LEU A 32 5.110 -4.397 -3.142 1.00 0.00 O ATOM 495 CB LEU A 32 2.097 -5.788 -3.344 1.00 0.00 C ATOM 496 CG LEU A 32 1.431 -4.521 -2.806 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.411 -4.870 -1.733 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.476 -3.560 -2.258 1.00 0.00 C ATOM 0 H LEU A 32 2.569 -7.174 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 32 3.211 -4.638 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.356 -6.352 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.391 -6.408 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 32 0.911 -4.030 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.053 -3.956 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.355 -5.520 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.909 -5.384 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.984 -2.664 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.025 -4.042 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.169 -3.285 -3.053 1.00 0.00 H new ATOM 510 N LEU A 33 5.054 -6.634 -2.906 1.00 0.00 N ATOM 511 CA LEU A 33 6.251 -6.685 -2.074 1.00 0.00 C ATOM 512 C LEU A 33 7.440 -6.053 -2.790 1.00 0.00 C ATOM 513 O LEU A 33 8.022 -5.081 -2.309 1.00 0.00 O ATOM 514 CB LEU A 33 6.576 -8.133 -1.703 1.00 0.00 C ATOM 515 CG LEU A 33 5.892 -8.674 -0.447 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.950 -10.194 -0.420 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.535 -8.092 0.803 1.00 0.00 C ATOM 0 H LEU A 33 4.628 -7.543 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 33 6.055 -6.118 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.305 -8.772 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.654 -8.220 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 33 4.845 -8.371 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.458 -10.561 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.443 -10.593 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.991 -10.519 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.036 -8.488 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.590 -8.364 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.441 -7.006 0.789 1.00 0.00 H new ATOM 529 N ALA A 34 7.794 -6.609 -3.944 1.00 0.00 N ATOM 530 CA ALA A 34 8.910 -6.097 -4.729 1.00 0.00 C ATOM 531 C ALA A 34 9.037 -4.585 -4.581 1.00 0.00 C ATOM 532 O ALA A 34 10.140 -4.055 -4.446 1.00 0.00 O ATOM 533 CB ALA A 34 8.742 -6.473 -6.193 1.00 0.00 C ATOM 0 H ALA A 34 7.323 -7.415 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 34 9.826 -6.551 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.583 -6.084 -6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.709 -7.558 -6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.814 -6.047 -6.574 1.00 0.00 H new ATOM 539 N ARG A 35 7.901 -3.895 -4.607 1.00 0.00 N ATOM 540 CA ARG A 35 7.887 -2.443 -4.478 1.00 0.00 C ATOM 541 C ARG A 35 8.337 -2.017 -3.083 1.00 0.00 C ATOM 542 O ARG A 35 9.177 -1.128 -2.935 1.00 0.00 O ATOM 543 CB ARG A 35 6.485 -1.898 -4.761 1.00 0.00 C ATOM 544 CG ARG A 35 6.126 -1.879 -6.238 1.00 0.00 C ATOM 545 CD ARG A 35 6.926 -0.829 -6.992 1.00 0.00 C ATOM 546 NE ARG A 35 6.690 -0.890 -8.432 1.00 0.00 N ATOM 547 CZ ARG A 35 7.256 -1.785 -9.233 1.00 0.00 C ATOM 548 NH1 ARG A 35 8.088 -2.690 -8.737 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.991 -1.776 -10.533 1.00 0.00 N ATOM 0 H ARG A 35 6.979 -4.318 -4.716 1.00 0.00 H new ATOM 0 HA ARG A 35 8.584 -2.032 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.754 -2.504 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.411 -0.885 -4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.313 -2.861 -6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.061 -1.678 -6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.662 0.162 -6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.988 -0.970 -6.793 1.00 0.00 H new ATOM 0 HE ARG A 35 6.055 -0.207 -8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.294 -2.700 -7.738 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.522 -3.377 -9.354 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.352 -1.081 -10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.427 -2.464 -11.147 1.00 0.00 H new ATOM 563 N LEU A 36 7.773 -2.655 -2.064 1.00 0.00 N ATOM 564 CA LEU A 36 8.115 -2.342 -0.681 1.00 0.00 C ATOM 565 C LEU A 36 9.515 -2.844 -0.340 1.00 0.00 C ATOM 566 O LEU A 36 10.376 -2.071 0.078 1.00 0.00 O ATOM 567 CB LEU A 36 7.092 -2.963 0.271 1.00 0.00 C ATOM 568 CG LEU A 36 5.681 -2.377 0.216 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.695 -3.291 0.926 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.658 -0.984 0.830 1.00 0.00 C ATOM 0 H LEU A 36 7.076 -3.393 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 36 8.099 -1.258 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.029 -4.030 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.466 -2.862 1.290 1.00 0.00 H new ATOM 0 HG LEU A 36 5.382 -2.297 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.696 -2.857 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.691 -4.268 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.990 -3.404 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.646 -0.582 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.978 -1.040 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.334 -0.332 0.277 1.00 0.00 H new ATOM 582 N GLN A 37 9.733 -4.142 -0.523 1.00 0.00 N ATOM 583 CA GLN A 37 11.029 -4.746 -0.236 1.00 0.00 C ATOM 584 C GLN A 37 12.166 -3.855 -0.725 1.00 0.00 C ATOM 585 O GLN A 37 13.205 -3.742 -0.074 1.00 0.00 O ATOM 586 CB GLN A 37 11.129 -6.125 -0.891 1.00 0.00 C ATOM 587 CG GLN A 37 10.370 -7.210 -0.144 1.00 0.00 C ATOM 588 CD GLN A 37 11.260 -8.006 0.790 1.00 0.00 C ATOM 589 OE1 GLN A 37 12.097 -7.308 1.549 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 11.196 -9.235 0.830 1.00 0.00 N flip ATOM 0 H GLN A 37 9.030 -4.795 -0.868 1.00 0.00 H new ATOM 0 HA GLN A 37 11.118 -4.857 0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.748 -6.062 -1.910 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.179 -6.410 -0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.563 -6.754 0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.908 -7.886 -0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.538 -9.731 0.229 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.801 -9.757 1.464 1.00 0.00 H new ATOM 599 N LYS A 38 11.962 -3.222 -1.875 1.00 0.00 N ATOM 600 CA LYS A 38 12.968 -2.339 -2.452 1.00 0.00 C ATOM 601 C LYS A 38 13.489 -1.354 -1.411 1.00 0.00 C ATOM 602 O LYS A 38 14.689 -1.298 -1.140 1.00 0.00 O ATOM 603 CB LYS A 38 12.385 -1.576 -3.644 1.00 0.00 C ATOM 604 CG LYS A 38 12.425 -2.359 -4.945 1.00 0.00 C ATOM 605 CD LYS A 38 11.404 -1.836 -5.942 1.00 0.00 C ATOM 606 CE LYS A 38 11.839 -2.098 -7.375 1.00 0.00 C ATOM 607 NZ LYS A 38 11.333 -1.054 -8.308 1.00 0.00 N ATOM 0 H LYS A 38 11.108 -3.304 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 38 13.801 -2.954 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.352 -1.307 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.936 -0.644 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.423 -2.296 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.231 -3.412 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.440 -2.312 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.264 -0.765 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.927 -2.132 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.475 -3.075 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.651 -1.269 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.293 -1.039 -8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.701 -0.124 -8.021 1.00 0.00 H new ATOM 621 N ASP A 39 12.580 -0.580 -0.828 1.00 0.00 N ATOM 622 CA ASP A 39 12.947 0.401 0.186 1.00 0.00 C ATOM 623 C ASP A 39 13.249 -0.280 1.517 1.00 0.00 C ATOM 624 O ASP A 39 13.925 0.285 2.376 1.00 0.00 O ATOM 625 CB ASP A 39 11.825 1.425 0.366 1.00 0.00 C ATOM 626 CG ASP A 39 11.973 2.615 -0.561 1.00 0.00 C ATOM 627 OD1 ASP A 39 11.690 2.466 -1.768 1.00 0.00 O ATOM 628 OD2 ASP A 39 12.372 3.696 -0.079 1.00 0.00 O ATOM 0 H ASP A 39 11.583 -0.613 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 39 13.847 0.915 -0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.865 0.943 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.816 1.772 1.399 1.00 0.00 H new ATOM 633 N GLY A 40 12.742 -1.499 1.681 1.00 0.00 N ATOM 634 CA GLY A 40 12.968 -2.236 2.910 1.00 0.00 C ATOM 635 C GLY A 40 11.680 -2.752 3.521 1.00 0.00 C ATOM 636 O GLY A 40 10.742 -1.988 3.750 1.00 0.00 O ATOM 0 H GLY A 40 12.179 -1.988 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.633 -3.076 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.475 -1.592 3.628 1.00 0.00 H new ATOM 640 N VAL A 41 11.632 -4.054 3.785 1.00 0.00 N ATOM 641 CA VAL A 41 10.449 -4.672 4.372 1.00 0.00 C ATOM 642 C VAL A 41 10.821 -5.547 5.565 1.00 0.00 C ATOM 643 O VAL A 41 11.675 -6.425 5.461 1.00 0.00 O ATOM 644 CB VAL A 41 9.691 -5.527 3.340 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.739 -6.487 4.036 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.941 -4.637 2.360 1.00 0.00 C ATOM 0 H VAL A 41 12.399 -4.701 3.602 1.00 0.00 H new ATOM 0 HA VAL A 41 9.802 -3.861 4.706 1.00 0.00 H new ATOM 0 HB VAL A 41 10.417 -6.116 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.213 -7.082 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.304 -7.147 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.017 -5.921 4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.411 -5.257 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.225 -4.020 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.649 -3.995 1.836 1.00 0.00 H new ATOM 656 N ASN A 42 10.171 -5.299 6.698 1.00 0.00 N ATOM 657 CA ASN A 42 10.434 -6.064 7.912 1.00 0.00 C ATOM 658 C ASN A 42 9.909 -7.491 7.780 1.00 0.00 C ATOM 659 O ASN A 42 8.889 -7.729 7.133 1.00 0.00 O ATOM 660 CB ASN A 42 9.788 -5.381 9.119 1.00 0.00 C ATOM 661 CG ASN A 42 10.322 -5.911 10.436 1.00 0.00 C ATOM 662 OD1 ASN A 42 10.718 -7.072 10.536 1.00 0.00 O ATOM 663 ND2 ASN A 42 10.333 -5.059 11.455 1.00 0.00 N ATOM 0 H ASN A 42 9.459 -4.575 6.801 1.00 0.00 H new ATOM 0 HA ASN A 42 11.513 -6.105 8.060 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.966 -4.307 9.064 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.709 -5.528 9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.680 -5.358 12.366 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.995 -4.105 11.326 1.00 0.00 H new ATOM 670 N GLN A 43 10.612 -8.434 8.397 1.00 0.00 N ATOM 671 CA GLN A 43 10.217 -9.836 8.348 1.00 0.00 C ATOM 672 C GLN A 43 8.849 -10.039 8.991 1.00 0.00 C ATOM 673 O GLN A 43 7.955 -10.642 8.396 1.00 0.00 O ATOM 674 CB GLN A 43 11.259 -10.707 9.054 1.00 0.00 C ATOM 675 CG GLN A 43 11.337 -12.124 8.510 1.00 0.00 C ATOM 676 CD GLN A 43 12.503 -12.905 9.082 1.00 0.00 C ATOM 677 OE1 GLN A 43 12.478 -13.321 10.241 1.00 0.00 O ATOM 678 NE2 GLN A 43 13.534 -13.110 8.270 1.00 0.00 N ATOM 0 H GLN A 43 11.458 -8.253 8.937 1.00 0.00 H new ATOM 0 HA GLN A 43 10.154 -10.133 7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.238 -10.236 8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.026 -10.748 10.118 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.408 -12.648 8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.426 -12.088 7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.513 -12.747 7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.347 -13.630 8.600 1.00 0.00 H new ATOM 687 N LYS A 44 8.691 -9.532 10.209 1.00 0.00 N ATOM 688 CA LYS A 44 7.432 -9.656 10.933 1.00 0.00 C ATOM 689 C LYS A 44 6.274 -9.100 10.109 1.00 0.00 C ATOM 690 O LYS A 44 5.110 -9.402 10.374 1.00 0.00 O ATOM 691 CB LYS A 44 7.516 -8.922 12.273 1.00 0.00 C ATOM 692 CG LYS A 44 7.777 -7.432 12.136 1.00 0.00 C ATOM 693 CD LYS A 44 8.192 -6.815 13.461 1.00 0.00 C ATOM 694 CE LYS A 44 6.992 -6.577 14.365 1.00 0.00 C ATOM 695 NZ LYS A 44 6.704 -7.757 15.226 1.00 0.00 N ATOM 0 H LYS A 44 9.421 -9.031 10.716 1.00 0.00 H new ATOM 0 HA LYS A 44 7.250 -10.715 11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.584 -9.070 12.818 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.310 -9.368 12.873 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.559 -7.265 11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.878 -6.936 11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.902 -7.472 13.963 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.705 -5.871 13.279 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.178 -5.706 14.993 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.117 -6.350 13.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.708 -8.033 15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.316 -8.549 14.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.887 -7.514 16.221 1.00 0.00 H new ATOM 709 N ASP A 45 6.601 -8.288 9.110 1.00 0.00 N ATOM 710 CA ASP A 45 5.588 -7.693 8.246 1.00 0.00 C ATOM 711 C ASP A 45 5.365 -8.547 7.002 1.00 0.00 C ATOM 712 O ASP A 45 4.254 -8.619 6.476 1.00 0.00 O ATOM 713 CB ASP A 45 6.001 -6.277 7.841 1.00 0.00 C ATOM 714 CG ASP A 45 5.599 -5.239 8.870 1.00 0.00 C ATOM 715 OD1 ASP A 45 6.329 -5.082 9.871 1.00 0.00 O ATOM 716 OD2 ASP A 45 4.554 -4.584 8.674 1.00 0.00 O ATOM 0 H ASP A 45 7.559 -8.027 8.878 1.00 0.00 H new ATOM 0 HA ASP A 45 4.653 -7.645 8.804 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.081 -6.244 7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.545 -6.029 6.882 1.00 0.00 H new ATOM 721 N LYS A 46 6.428 -9.192 6.535 1.00 0.00 N ATOM 722 CA LYS A 46 6.350 -10.042 5.352 1.00 0.00 C ATOM 723 C LYS A 46 5.168 -11.001 5.449 1.00 0.00 C ATOM 724 O LYS A 46 4.514 -11.298 4.450 1.00 0.00 O ATOM 725 CB LYS A 46 7.649 -10.832 5.180 1.00 0.00 C ATOM 726 CG LYS A 46 8.691 -10.114 4.340 1.00 0.00 C ATOM 727 CD LYS A 46 9.982 -10.910 4.253 1.00 0.00 C ATOM 728 CE LYS A 46 11.184 -10.002 4.043 1.00 0.00 C ATOM 729 NZ LYS A 46 12.391 -10.767 3.626 1.00 0.00 N ATOM 0 H LYS A 46 7.355 -9.143 6.958 1.00 0.00 H new ATOM 0 HA LYS A 46 6.205 -9.401 4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.069 -11.042 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.422 -11.793 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.298 -9.945 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.895 -9.134 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.117 -11.488 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.916 -11.624 3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.947 -9.256 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.397 -9.462 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.188 -10.112 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.633 -11.462 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.197 -11.262 2.732 1.00 0.00 H new ATOM 743 N ASN A 47 4.898 -11.481 6.659 1.00 0.00 N ATOM 744 CA ASN A 47 3.794 -12.406 6.886 1.00 0.00 C ATOM 745 C ASN A 47 2.496 -11.649 7.151 1.00 0.00 C ATOM 746 O ASN A 47 1.422 -12.066 6.716 1.00 0.00 O ATOM 747 CB ASN A 47 4.108 -13.329 8.065 1.00 0.00 C ATOM 748 CG ASN A 47 3.351 -14.641 7.990 1.00 0.00 C ATOM 749 OD1 ASN A 47 3.186 -15.215 6.913 1.00 0.00 O ATOM 750 ND2 ASN A 47 2.886 -15.122 9.137 1.00 0.00 N ATOM 0 H ASN A 47 5.429 -11.244 7.497 1.00 0.00 H new ATOM 0 HA ASN A 47 3.667 -13.008 5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.179 -13.531 8.089 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.858 -12.821 8.997 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.369 -16.001 9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.046 -14.613 10.006 1.00 0.00 H new ATOM 757 N SER A 48 2.603 -10.534 7.866 1.00 0.00 N ATOM 758 CA SER A 48 1.438 -9.720 8.192 1.00 0.00 C ATOM 759 C SER A 48 0.888 -9.035 6.945 1.00 0.00 C ATOM 760 O SER A 48 -0.184 -8.429 6.977 1.00 0.00 O ATOM 761 CB SER A 48 1.800 -8.671 9.246 1.00 0.00 C ATOM 762 OG SER A 48 2.383 -7.527 8.647 1.00 0.00 O ATOM 0 H SER A 48 3.485 -10.173 8.231 1.00 0.00 H new ATOM 0 HA SER A 48 0.668 -10.378 8.594 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.905 -8.381 9.797 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.494 -9.101 9.968 1.00 0.00 H new ATOM 0 HG SER A 48 2.604 -6.871 9.341 1.00 0.00 H new ATOM 768 N LEU A 49 1.629 -9.136 5.847 1.00 0.00 N ATOM 769 CA LEU A 49 1.216 -8.526 4.587 1.00 0.00 C ATOM 770 C LEU A 49 -0.065 -9.168 4.065 1.00 0.00 C ATOM 771 O LEU A 49 -1.090 -8.504 3.922 1.00 0.00 O ATOM 772 CB LEU A 49 2.328 -8.660 3.545 1.00 0.00 C ATOM 773 CG LEU A 49 2.361 -7.587 2.457 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.250 -8.024 1.303 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.954 -7.285 1.963 1.00 0.00 C ATOM 0 H LEU A 49 2.518 -9.634 5.803 1.00 0.00 H new ATOM 0 HA LEU A 49 1.022 -7.469 4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.287 -8.653 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.233 -9.634 3.064 1.00 0.00 H new ATOM 0 HG LEU A 49 2.778 -6.676 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.261 -7.248 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.264 -8.189 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.863 -8.949 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.997 -6.519 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.510 -8.192 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.346 -6.928 2.794 1.00 0.00 H new ATOM 787 N GLY A 50 0.001 -10.467 3.785 1.00 0.00 N ATOM 788 CA GLY A 50 -1.161 -11.177 3.285 1.00 0.00 C ATOM 789 C GLY A 50 -2.429 -10.816 4.033 1.00 0.00 C ATOM 790 O GLY A 50 -3.509 -10.755 3.446 1.00 0.00 O ATOM 0 H GLY A 50 0.838 -11.039 3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.292 -10.953 2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.989 -12.250 3.365 1.00 0.00 H new ATOM 794 N ALA A 51 -2.298 -10.576 5.334 1.00 0.00 N ATOM 795 CA ALA A 51 -3.442 -10.219 6.164 1.00 0.00 C ATOM 796 C ALA A 51 -3.947 -8.819 5.830 1.00 0.00 C ATOM 797 O ALA A 51 -5.134 -8.624 5.568 1.00 0.00 O ATOM 798 CB ALA A 51 -3.075 -10.312 7.638 1.00 0.00 C ATOM 0 H ALA A 51 -1.411 -10.622 5.836 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.245 -10.926 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.939 -10.043 8.246 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.770 -11.332 7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.253 -9.629 7.852 1.00 0.00 H new ATOM 804 N ILE A 52 -3.038 -7.850 5.840 1.00 0.00 N ATOM 805 CA ILE A 52 -3.392 -6.469 5.538 1.00 0.00 C ATOM 806 C ILE A 52 -4.048 -6.357 4.165 1.00 0.00 C ATOM 807 O ILE A 52 -5.070 -5.688 4.006 1.00 0.00 O ATOM 808 CB ILE A 52 -2.158 -5.549 5.581 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.497 -5.609 6.959 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.550 -4.119 5.237 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.057 -5.148 6.960 1.00 0.00 C ATOM 0 H ILE A 52 -2.051 -7.996 6.054 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.100 -6.150 6.303 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.439 -5.896 4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.068 -4.993 7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.542 -6.633 7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.667 -3.481 5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.979 -4.090 4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.285 -3.760 5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.347 -5.218 7.970 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.528 -5.780 6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.006 -4.114 6.620 1.00 0.00 H new ATOM 823 N LEU A 53 -3.455 -7.018 3.177 1.00 0.00 N ATOM 824 CA LEU A 53 -3.982 -6.995 1.817 1.00 0.00 C ATOM 825 C LEU A 53 -5.487 -7.242 1.812 1.00 0.00 C ATOM 826 O LEU A 53 -6.214 -6.683 0.992 1.00 0.00 O ATOM 827 CB LEU A 53 -3.278 -8.047 0.959 1.00 0.00 C ATOM 828 CG LEU A 53 -1.906 -7.657 0.408 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.156 -8.886 -0.080 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.052 -6.638 -0.713 1.00 0.00 C ATOM 0 H LEU A 53 -2.609 -7.576 3.292 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.794 -6.007 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.164 -8.954 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.927 -8.295 0.119 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.329 -7.202 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.182 -8.588 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.019 -9.581 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.728 -9.372 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.066 -6.372 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.648 -7.066 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.547 -5.745 -0.331 1.00 0.00 H new ATOM 842 N GLN A 54 -5.946 -8.081 2.735 1.00 0.00 N ATOM 843 CA GLN A 54 -7.366 -8.401 2.837 1.00 0.00 C ATOM 844 C GLN A 54 -8.082 -7.412 3.751 1.00 0.00 C ATOM 845 O GLN A 54 -9.303 -7.272 3.693 1.00 0.00 O ATOM 846 CB GLN A 54 -7.553 -9.825 3.361 1.00 0.00 C ATOM 847 CG GLN A 54 -8.961 -10.110 3.859 1.00 0.00 C ATOM 848 CD GLN A 54 -9.342 -11.572 3.726 1.00 0.00 C ATOM 849 OE1 GLN A 54 -9.573 -12.067 2.622 1.00 0.00 O ATOM 850 NE2 GLN A 54 -9.410 -12.271 4.852 1.00 0.00 N ATOM 0 H GLN A 54 -5.357 -8.551 3.422 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.802 -8.328 1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.308 -10.531 2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.847 -10.000 4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.040 -9.811 4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.671 -9.501 3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.210 -11.820 5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.662 -13.259 4.824 1.00 0.00 H new ATOM 859 N GLN A 55 -7.313 -6.729 4.594 1.00 0.00 N ATOM 860 CA GLN A 55 -7.875 -5.754 5.521 1.00 0.00 C ATOM 861 C GLN A 55 -8.057 -4.400 4.843 1.00 0.00 C ATOM 862 O GLN A 55 -8.865 -3.580 5.278 1.00 0.00 O ATOM 863 CB GLN A 55 -6.973 -5.606 6.748 1.00 0.00 C ATOM 864 CG GLN A 55 -6.947 -6.840 7.635 1.00 0.00 C ATOM 865 CD GLN A 55 -6.261 -6.589 8.963 1.00 0.00 C ATOM 866 OE1 GLN A 55 -5.212 -7.166 9.252 1.00 0.00 O ATOM 867 NE2 GLN A 55 -6.850 -5.723 9.780 1.00 0.00 N ATOM 0 H GLN A 55 -6.300 -6.833 4.654 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.853 -6.115 5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.958 -5.384 6.418 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.311 -4.753 7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.969 -7.175 7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.435 -7.648 7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.719 -5.268 9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.434 -5.513 10.687 1.00 0.00 H new ATOM 876 N VAL A 56 -7.300 -4.173 3.774 1.00 0.00 N ATOM 877 CA VAL A 56 -7.378 -2.918 3.035 1.00 0.00 C ATOM 878 C VAL A 56 -7.639 -3.169 1.554 1.00 0.00 C ATOM 879 O VAL A 56 -8.128 -2.292 0.842 1.00 0.00 O ATOM 880 CB VAL A 56 -6.084 -2.097 3.185 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.875 -1.691 4.636 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.890 -2.884 2.666 1.00 0.00 C ATOM 0 H VAL A 56 -6.626 -4.841 3.400 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.209 -2.353 3.457 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.179 -1.190 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.956 -1.112 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.718 -1.086 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.801 -2.584 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.984 -2.288 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.790 -3.809 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.039 -3.119 1.612 1.00 0.00 H new ATOM 892 N ALA A 57 -7.309 -4.372 1.095 1.00 0.00 N ATOM 893 CA ALA A 57 -7.509 -4.739 -0.301 1.00 0.00 C ATOM 894 C ALA A 57 -8.280 -6.049 -0.419 1.00 0.00 C ATOM 895 O ALA A 57 -8.598 -6.685 0.585 1.00 0.00 O ATOM 896 CB ALA A 57 -6.171 -4.846 -1.016 1.00 0.00 C ATOM 0 H ALA A 57 -6.902 -5.109 1.670 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.100 -3.956 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.336 -5.121 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.657 -3.886 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.560 -5.608 -0.532 1.00 0.00 H new ATOM 902 N ASN A 58 -8.579 -6.446 -1.652 1.00 0.00 N ATOM 903 CA ASN A 58 -9.314 -7.680 -1.900 1.00 0.00 C ATOM 904 C ASN A 58 -8.651 -8.495 -3.006 1.00 0.00 C ATOM 905 O ASN A 58 -8.355 -7.976 -4.083 1.00 0.00 O ATOM 906 CB ASN A 58 -10.763 -7.368 -2.281 1.00 0.00 C ATOM 907 CG ASN A 58 -11.549 -6.777 -1.126 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.783 -7.442 -0.116 1.00 0.00 O ATOM 909 ND2 ASN A 58 -11.962 -5.524 -1.271 1.00 0.00 N ATOM 0 H ASN A 58 -8.323 -5.931 -2.494 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.305 -8.269 -0.983 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.774 -6.671 -3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.252 -8.281 -2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.497 -5.074 -0.528 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.745 -5.011 -2.125 1.00 0.00 H new ATOM 916 N LEU A 59 -8.421 -9.775 -2.733 1.00 0.00 N ATOM 917 CA LEU A 59 -7.793 -10.664 -3.705 1.00 0.00 C ATOM 918 C LEU A 59 -8.799 -11.116 -4.759 1.00 0.00 C ATOM 919 O LEU A 59 -9.900 -11.556 -4.432 1.00 0.00 O ATOM 920 CB LEU A 59 -7.194 -11.882 -3.000 1.00 0.00 C ATOM 921 CG LEU A 59 -6.049 -12.584 -3.730 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.337 -13.553 -2.798 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.568 -13.311 -4.962 1.00 0.00 C ATOM 0 H LEU A 59 -8.660 -10.220 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.996 -10.112 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.835 -11.569 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.990 -12.607 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.332 -11.829 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.525 -14.044 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.931 -13.007 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.044 -14.304 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.739 -13.805 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.305 -14.056 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.032 -12.594 -5.639 1.00 0.00 H new ATOM 935 N ASN A 60 -8.411 -11.005 -6.026 1.00 0.00 N ATOM 936 CA ASN A 60 -9.278 -11.404 -7.128 1.00 0.00 C ATOM 937 C ASN A 60 -8.809 -12.720 -7.741 1.00 0.00 C ATOM 938 O ASN A 60 -7.956 -12.734 -8.629 1.00 0.00 O ATOM 939 CB ASN A 60 -9.311 -10.313 -8.200 1.00 0.00 C ATOM 940 CG ASN A 60 -10.618 -10.296 -8.969 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.268 -11.329 -9.132 1.00 0.00 O ATOM 942 ND2 ASN A 60 -11.009 -9.120 -9.446 1.00 0.00 N ATOM 0 H ASN A 60 -7.502 -10.642 -6.314 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.284 -11.546 -6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.156 -9.342 -7.730 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.486 -10.466 -8.895 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.880 -9.047 -9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.438 -8.290 -9.287 1.00 0.00 H new ATOM 949 N SER A 61 -9.372 -13.824 -7.261 1.00 0.00 N ATOM 950 CA SER A 61 -9.009 -15.146 -7.759 1.00 0.00 C ATOM 951 C SER A 61 -8.791 -15.117 -9.269 1.00 0.00 C ATOM 952 O SER A 61 -8.030 -15.916 -9.814 1.00 0.00 O ATOM 953 CB SER A 61 -10.097 -16.163 -7.409 1.00 0.00 C ATOM 954 OG SER A 61 -10.236 -16.298 -6.006 1.00 0.00 O ATOM 0 H SER A 61 -10.081 -13.830 -6.528 1.00 0.00 H new ATOM 0 HA SER A 61 -8.076 -15.444 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.046 -15.849 -7.843 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.850 -17.130 -7.848 1.00 0.00 H new ATOM 0 HG SER A 61 -10.938 -16.952 -5.808 1.00 0.00 H new ATOM 960 N LYS A 62 -9.466 -14.189 -9.940 1.00 0.00 N ATOM 961 CA LYS A 62 -9.347 -14.052 -11.387 1.00 0.00 C ATOM 962 C LYS A 62 -7.886 -13.912 -11.802 1.00 0.00 C ATOM 963 O LYS A 62 -7.337 -14.782 -12.478 1.00 0.00 O ATOM 964 CB LYS A 62 -10.145 -12.840 -11.872 1.00 0.00 C ATOM 965 CG LYS A 62 -10.567 -12.933 -13.328 1.00 0.00 C ATOM 966 CD LYS A 62 -11.852 -13.728 -13.486 1.00 0.00 C ATOM 967 CE LYS A 62 -11.978 -14.312 -14.885 1.00 0.00 C ATOM 968 NZ LYS A 62 -12.103 -13.250 -15.920 1.00 0.00 N ATOM 0 H LYS A 62 -10.101 -13.520 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.752 -14.953 -11.847 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.034 -12.729 -11.251 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.545 -11.941 -11.733 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.706 -11.930 -13.732 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.773 -13.403 -13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.876 -14.533 -12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.707 -13.084 -13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.106 -14.929 -15.101 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.849 -14.966 -14.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.238 -13.689 -16.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.920 -12.646 -15.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.238 -12.672 -15.931 1.00 0.00 H new ATOM 982 N ASP A 63 -7.262 -12.814 -11.391 1.00 0.00 N ATOM 983 CA ASP A 63 -5.863 -12.561 -11.718 1.00 0.00 C ATOM 984 C ASP A 63 -4.987 -12.665 -10.474 1.00 0.00 C ATOM 985 O ASP A 63 -3.863 -12.162 -10.450 1.00 0.00 O ATOM 986 CB ASP A 63 -5.707 -11.179 -12.354 1.00 0.00 C ATOM 987 CG ASP A 63 -6.100 -11.167 -13.818 1.00 0.00 C ATOM 988 OD1 ASP A 63 -5.841 -12.174 -14.510 1.00 0.00 O ATOM 989 OD2 ASP A 63 -6.667 -10.151 -14.272 1.00 0.00 O ATOM 0 H ASP A 63 -7.703 -12.084 -10.831 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.540 -13.319 -12.432 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.321 -10.461 -11.810 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.672 -10.852 -12.256 1.00 0.00 H new ATOM 994 N LEU A 64 -5.508 -13.319 -9.442 1.00 0.00 N ATOM 995 CA LEU A 64 -4.774 -13.488 -8.193 1.00 0.00 C ATOM 996 C LEU A 64 -4.114 -12.180 -7.768 1.00 0.00 C ATOM 997 O LEU A 64 -3.118 -12.181 -7.045 1.00 0.00 O ATOM 998 CB LEU A 64 -3.714 -14.581 -8.345 1.00 0.00 C ATOM 999 CG LEU A 64 -4.181 -16.011 -8.071 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.231 -17.013 -8.707 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.297 -16.257 -6.574 1.00 0.00 C ATOM 0 H LEU A 64 -6.437 -13.741 -9.445 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.484 -13.784 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.319 -14.537 -9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.888 -14.354 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.167 -16.143 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.579 -18.025 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.200 -16.852 -9.785 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.232 -16.882 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.631 -17.280 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.325 -16.106 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.019 -15.561 -6.146 1.00 0.00 H new ATOM 1013 N SER A 65 -4.678 -11.064 -8.220 1.00 0.00 N ATOM 1014 CA SER A 65 -4.144 -9.749 -7.889 1.00 0.00 C ATOM 1015 C SER A 65 -4.986 -9.077 -6.808 1.00 0.00 C ATOM 1016 O SER A 65 -6.213 -9.175 -6.812 1.00 0.00 O ATOM 1017 CB SER A 65 -4.095 -8.865 -9.137 1.00 0.00 C ATOM 1018 OG SER A 65 -5.400 -8.553 -9.592 1.00 0.00 O ATOM 0 H SER A 65 -5.505 -11.045 -8.817 1.00 0.00 H new ATOM 0 HA SER A 65 -3.132 -9.881 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.555 -7.945 -8.914 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.543 -9.375 -9.927 1.00 0.00 H new ATOM 0 HG SER A 65 -5.342 -7.986 -10.389 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.318 -8.395 -5.885 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.003 -7.708 -4.796 1.00 0.00 C ATOM 1026 C TYR A 66 -5.408 -6.297 -5.212 1.00 0.00 C ATOM 1027 O TYR A 66 -4.568 -5.486 -5.603 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.107 -7.650 -3.558 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.009 -8.965 -2.819 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -4.969 -9.333 -1.885 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -2.956 -9.841 -3.056 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -4.883 -10.533 -1.207 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.863 -11.044 -2.383 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.829 -11.385 -1.459 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.740 -12.583 -0.787 1.00 0.00 O ATOM 0 H TYR A 66 -3.302 -8.303 -5.869 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.906 -8.270 -4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.107 -7.336 -3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.490 -6.889 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.797 -8.669 -1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.198 -9.577 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.638 -10.803 -0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.039 -11.714 -2.579 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.939 -13.065 -1.082 1.00 0.00 H new ATOM 1045 N THR A 67 -6.703 -6.011 -5.124 1.00 0.00 N ATOM 1046 CA THR A 67 -7.223 -4.699 -5.490 1.00 0.00 C ATOM 1047 C THR A 67 -7.563 -3.877 -4.252 1.00 0.00 C ATOM 1048 O THR A 67 -8.331 -4.317 -3.395 1.00 0.00 O ATOM 1049 CB THR A 67 -8.478 -4.819 -6.375 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.566 -5.353 -5.611 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.210 -5.711 -7.577 1.00 0.00 C ATOM 0 H THR A 67 -7.411 -6.671 -4.802 1.00 0.00 H new ATOM 0 HA THR A 67 -6.438 -4.194 -6.053 1.00 0.00 H new ATOM 0 HB THR A 67 -8.740 -3.823 -6.733 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.394 -5.215 -4.656 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.111 -5.780 -8.187 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.401 -5.287 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.926 -6.706 -7.235 1.00 0.00 H new ATOM 1059 N LEU A 68 -6.990 -2.683 -4.165 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.233 -1.798 -3.031 1.00 0.00 C ATOM 1061 C LEU A 68 -8.727 -1.548 -2.847 1.00 0.00 C ATOM 1062 O LEU A 68 -9.435 -1.219 -3.799 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.503 -0.468 -3.230 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.043 0.242 -1.956 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -5.968 1.744 -2.180 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -6.976 -0.081 -0.799 1.00 0.00 C ATOM 0 H LEU A 68 -6.353 -2.304 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.850 -2.284 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.630 -0.646 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.160 0.205 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.045 -0.117 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.639 2.233 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.259 1.958 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.953 2.120 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.633 0.433 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.986 0.249 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.979 -1.157 -0.623 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.200 -1.705 -1.615 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.608 -1.493 -1.303 1.00 0.00 C ATOM 1080 C LYS A 69 -11.058 -0.102 -1.736 1.00 0.00 C ATOM 1081 O LYS A 69 -10.296 0.644 -2.352 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.853 -1.676 0.197 1.00 0.00 C ATOM 1083 CG LYS A 69 -10.960 -3.130 0.623 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.664 -3.300 2.104 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.252 -4.728 2.429 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.382 -5.683 2.262 1.00 0.00 N ATOM 0 H LYS A 69 -8.628 -1.979 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.191 -2.232 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.041 -1.203 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.771 -1.157 0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.962 -3.501 0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.264 -3.733 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.869 -2.615 2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.546 -3.033 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.427 -5.024 1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.885 -4.776 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.423 -6.319 3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.275 -5.155 2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.238 -6.243 1.398 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.299 0.242 -1.410 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.850 1.545 -1.764 1.00 0.00 C ATOM 1102 C ASP A 70 -12.625 2.553 -0.640 1.00 0.00 C ATOM 1103 O ASP A 70 -11.875 3.516 -0.798 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.344 1.426 -2.067 1.00 0.00 C ATOM 1105 CG ASP A 70 -14.827 2.493 -3.030 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.161 2.703 -4.066 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.870 3.119 -2.747 1.00 0.00 O ATOM 0 H ASP A 70 -12.943 -0.364 -0.901 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.334 1.900 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.549 0.442 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.907 1.499 -1.137 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.280 2.324 0.492 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.155 3.214 1.641 1.00 0.00 C ATOM 1114 C TYR A 71 -11.692 3.549 1.913 1.00 0.00 C ATOM 1115 O TYR A 71 -11.331 4.713 2.085 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.782 2.572 2.880 1.00 0.00 C ATOM 1117 CG TYR A 71 -13.063 1.327 3.347 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -11.957 1.412 4.183 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -13.491 0.065 2.952 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.296 0.277 4.611 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -12.837 -1.076 3.377 1.00 0.00 C ATOM 1122 CZ TYR A 71 -11.740 -0.965 4.206 1.00 0.00 C ATOM 1123 OH TYR A 71 -11.086 -2.098 4.631 1.00 0.00 O ATOM 0 H TYR A 71 -13.903 1.530 0.639 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.684 4.139 1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -13.792 3.301 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.820 2.322 2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.608 2.382 4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -14.349 -0.026 2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.436 0.361 5.259 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.183 -2.049 3.062 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.120 -1.934 4.639 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.852 2.518 1.950 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.428 2.702 2.200 1.00 0.00 C ATOM 1135 C VAL A 72 -8.885 3.902 1.433 1.00 0.00 C ATOM 1136 O VAL A 72 -7.916 4.535 1.853 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.623 1.449 1.805 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.146 1.645 2.108 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -9.164 0.221 2.523 1.00 0.00 C ATOM 0 H VAL A 72 -11.134 1.548 1.810 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.315 2.877 3.270 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.731 1.292 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.594 0.750 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.769 2.499 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.014 1.827 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.584 -0.655 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.087 0.366 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.209 0.071 2.251 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.517 4.212 0.305 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.098 5.337 -0.522 1.00 0.00 C ATOM 1151 C PHE A 73 -9.078 6.630 0.288 1.00 0.00 C ATOM 1152 O PHE A 73 -8.150 7.432 0.177 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.033 5.490 -1.724 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.834 4.436 -2.776 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.565 4.136 -3.243 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.917 3.747 -3.297 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.379 3.167 -4.211 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.737 2.776 -4.265 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.466 2.487 -4.723 1.00 0.00 C ATOM 0 H PHE A 73 -10.321 3.699 -0.057 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.088 5.137 -0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.066 5.456 -1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.879 6.472 -2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.711 4.665 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.913 3.971 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.384 2.942 -4.566 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.589 2.244 -4.662 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.323 1.730 -5.480 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.108 6.826 1.104 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.210 8.020 1.935 1.00 0.00 C ATOM 1171 C LYS A 74 -9.216 7.966 3.090 1.00 0.00 C ATOM 1172 O LYS A 74 -9.116 8.905 3.878 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.633 8.167 2.479 1.00 0.00 C ATOM 1174 CG LYS A 74 -12.120 6.950 3.245 1.00 0.00 C ATOM 1175 CD LYS A 74 -13.007 7.345 4.414 1.00 0.00 C ATOM 1176 CE LYS A 74 -14.104 8.306 3.982 1.00 0.00 C ATOM 1177 NZ LYS A 74 -15.331 8.157 4.813 1.00 0.00 N ATOM 0 H LYS A 74 -10.885 6.173 1.208 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.973 8.885 1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.675 9.038 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.312 8.359 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.673 6.293 2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.264 6.383 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.455 6.452 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.400 7.809 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.739 9.330 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.351 8.129 2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.055 8.829 4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.695 7.187 4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.102 8.351 5.809 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.482 6.861 3.182 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.496 6.686 4.242 1.00 0.00 C ATOM 1193 C GLU A 75 -6.091 7.001 3.734 1.00 0.00 C ATOM 1194 O GLU A 75 -5.178 7.258 4.520 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.545 5.256 4.785 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.915 4.849 5.301 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.850 3.686 6.272 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.940 2.843 6.127 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -9.708 3.618 7.176 1.00 0.00 O ATOM 0 H GLU A 75 -8.552 6.075 2.536 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.738 7.380 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.243 4.566 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.818 5.157 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.382 5.702 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.551 4.579 4.458 1.00 0.00 H new ATOM 1206 N LEU A 76 -5.926 6.978 2.416 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.633 7.260 1.802 1.00 0.00 C ATOM 1208 C LEU A 76 -4.167 8.673 2.139 1.00 0.00 C ATOM 1209 O LEU A 76 -4.812 9.381 2.911 1.00 0.00 O ATOM 1210 CB LEU A 76 -4.719 7.087 0.285 1.00 0.00 C ATOM 1211 CG LEU A 76 -4.974 5.665 -0.215 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.606 5.690 -1.598 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.680 4.865 -0.233 1.00 0.00 C ATOM 0 H LEU A 76 -6.671 6.767 1.752 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.906 6.553 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.515 7.731 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.788 7.444 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.668 5.179 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.780 4.669 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.555 6.225 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.937 6.195 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.881 3.856 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.962 5.349 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.268 4.817 0.775 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.044 9.075 1.553 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.493 10.404 1.790 1.00 0.00 C ATOM 1227 C GLN A 77 -1.994 11.026 0.491 1.00 0.00 C ATOM 1228 O GLN A 77 -1.117 10.476 -0.176 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.352 10.332 2.807 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.599 9.337 3.929 1.00 0.00 C ATOM 1231 CD GLN A 77 -2.496 9.896 5.017 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -2.681 11.108 5.123 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -3.058 9.012 5.833 1.00 0.00 N ATOM 0 H GLN A 77 -2.498 8.500 0.911 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.288 11.033 2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.432 10.062 2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.197 11.321 3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.052 8.435 3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.645 9.043 4.366 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.877 8.016 5.709 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.671 9.329 6.584 1.00 0.00 H new ATOM 1242 N ARG A 78 -2.558 12.176 0.136 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.171 12.872 -1.085 1.00 0.00 C ATOM 1244 C ARG A 78 -0.710 13.308 -1.023 1.00 0.00 C ATOM 1245 O ARG A 78 0.003 13.270 -2.026 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.069 14.091 -1.309 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.295 13.796 -2.158 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.260 12.867 -1.439 1.00 0.00 C ATOM 1249 NE ARG A 78 -5.410 13.218 -0.029 1.00 0.00 N ATOM 1250 CZ ARG A 78 -6.011 14.325 0.392 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -6.515 15.184 -0.483 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -6.108 14.575 1.692 1.00 0.00 N ATOM 0 H ARG A 78 -3.284 12.645 0.677 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.291 12.182 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.391 14.477 -0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.486 14.878 -1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.802 14.729 -2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.986 13.343 -3.100 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.233 12.907 -1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.904 11.840 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.033 12.578 0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.442 14.996 -1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.976 16.033 -0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.721 13.917 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.570 15.425 2.015 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.272 13.722 0.161 1.00 0.00 N ATOM 1267 CA ASP A 79 1.104 14.165 0.354 1.00 0.00 C ATOM 1268 C ASP A 79 2.034 12.974 0.562 1.00 0.00 C ATOM 1269 O ASP A 79 3.150 13.124 1.060 1.00 0.00 O ATOM 1270 CB ASP A 79 1.194 15.113 1.552 1.00 0.00 C ATOM 1271 CG ASP A 79 2.611 15.588 1.809 1.00 0.00 C ATOM 1272 OD1 ASP A 79 3.152 16.325 0.959 1.00 0.00 O ATOM 1273 OD2 ASP A 79 3.178 15.222 2.860 1.00 0.00 O ATOM 0 H ASP A 79 -0.849 13.760 1.001 1.00 0.00 H new ATOM 0 HA ASP A 79 1.418 14.696 -0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.551 15.976 1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.816 14.608 2.441 1.00 0.00 H new ATOM 1278 N TRP A 80 1.567 11.791 0.178 1.00 0.00 N ATOM 1279 CA TRP A 80 2.357 10.574 0.324 1.00 0.00 C ATOM 1280 C TRP A 80 3.685 10.696 -0.414 1.00 0.00 C ATOM 1281 O TRP A 80 3.736 11.022 -1.600 1.00 0.00 O ATOM 1282 CB TRP A 80 1.575 9.369 -0.203 1.00 0.00 C ATOM 1283 CG TRP A 80 2.316 8.074 -0.063 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.803 7.295 -1.074 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.653 7.406 1.158 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.422 6.183 -0.555 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.344 6.228 0.811 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.440 7.689 2.509 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.821 5.337 1.769 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.913 6.803 3.458 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.598 5.639 3.085 1.00 0.00 C ATOM 0 H TRP A 80 0.646 11.649 -0.236 1.00 0.00 H new ATOM 0 HA TRP A 80 2.564 10.429 1.384 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.628 9.297 0.332 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.336 9.531 -1.254 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.715 7.520 -2.127 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.867 5.444 -1.099 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.915 8.585 2.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.349 4.439 1.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.752 7.011 4.505 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.957 4.967 3.851 1.00 0.00 H new ATOM 1302 N PRO A 81 4.788 10.427 0.301 1.00 0.00 N ATOM 1303 CA PRO A 81 6.137 10.500 -0.267 1.00 0.00 C ATOM 1304 C PRO A 81 6.402 9.387 -1.275 1.00 0.00 C ATOM 1305 O PRO A 81 7.508 9.261 -1.799 1.00 0.00 O ATOM 1306 CB PRO A 81 7.045 10.342 0.955 1.00 0.00 C ATOM 1307 CG PRO A 81 6.222 9.592 1.945 1.00 0.00 C ATOM 1308 CD PRO A 81 4.801 10.033 1.720 1.00 0.00 C ATOM 0 HA PRO A 81 6.298 11.427 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.955 9.798 0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.351 11.311 1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.324 8.516 1.802 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.542 9.810 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.094 9.228 1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.530 10.865 2.371 1.00 0.00 H new ATOM 1316 N GLY A 82 5.379 8.581 -1.542 1.00 0.00 N ATOM 1317 CA GLY A 82 5.522 7.489 -2.487 1.00 0.00 C ATOM 1318 C GLY A 82 4.989 7.838 -3.863 1.00 0.00 C ATOM 1319 O GLY A 82 5.048 7.024 -4.784 1.00 0.00 O ATOM 0 H GLY A 82 4.454 8.665 -1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.575 7.217 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.995 6.613 -2.108 1.00 0.00 H new ATOM 1323 N TYR A 83 4.466 9.051 -4.001 1.00 0.00 N ATOM 1324 CA TYR A 83 3.916 9.506 -5.273 1.00 0.00 C ATOM 1325 C TYR A 83 4.751 10.643 -5.853 1.00 0.00 C ATOM 1326 O TYR A 83 4.878 11.707 -5.246 1.00 0.00 O ATOM 1327 CB TYR A 83 2.467 9.963 -5.092 1.00 0.00 C ATOM 1328 CG TYR A 83 1.564 8.898 -4.512 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.589 7.597 -5.000 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.686 9.192 -3.476 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.765 6.621 -4.474 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.140 8.221 -2.943 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.097 6.938 -3.445 1.00 0.00 C ATOM 1334 OH TYR A 83 -0.919 5.969 -2.917 1.00 0.00 O ATOM 0 H TYR A 83 4.411 9.737 -3.248 1.00 0.00 H new ATOM 0 HA TYR A 83 3.942 8.669 -5.971 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.449 10.837 -4.441 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.071 10.277 -6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.264 7.345 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.649 10.196 -3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.796 5.615 -4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.816 8.466 -2.137 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.766 5.121 -3.383 1.00 0.00 H new ATOM 1344 N SER A 84 5.318 10.410 -7.032 1.00 0.00 N ATOM 1345 CA SER A 84 6.145 11.413 -7.694 1.00 0.00 C ATOM 1346 C SER A 84 5.287 12.555 -8.232 1.00 0.00 C ATOM 1347 O SER A 84 4.068 12.562 -8.061 1.00 0.00 O ATOM 1348 CB SER A 84 6.940 10.776 -8.835 1.00 0.00 C ATOM 1349 OG SER A 84 7.873 9.831 -8.341 1.00 0.00 O ATOM 0 H SER A 84 5.220 9.536 -7.549 1.00 0.00 H new ATOM 0 HA SER A 84 6.840 11.819 -6.959 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.257 10.288 -9.530 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.464 11.551 -9.394 1.00 0.00 H new ATOM 0 HG SER A 84 8.367 9.437 -9.090 1.00 0.00 H new ATOM 1355 N GLU A 85 5.934 13.517 -8.882 1.00 0.00 N ATOM 1356 CA GLU A 85 5.231 14.664 -9.444 1.00 0.00 C ATOM 1357 C GLU A 85 4.021 14.215 -10.259 1.00 0.00 C ATOM 1358 O GLU A 85 3.065 14.970 -10.436 1.00 0.00 O ATOM 1359 CB GLU A 85 6.174 15.488 -10.323 1.00 0.00 C ATOM 1360 CG GLU A 85 5.464 16.253 -11.427 1.00 0.00 C ATOM 1361 CD GLU A 85 6.413 17.099 -12.254 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.545 17.348 -11.789 1.00 0.00 O ATOM 1363 OE2 GLU A 85 6.024 17.511 -13.367 1.00 0.00 O ATOM 0 H GLU A 85 6.943 13.525 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 85 4.882 15.284 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.718 16.194 -9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.913 14.824 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.949 15.548 -12.080 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.701 16.895 -10.986 1.00 0.00 H new ATOM 1370 N ILE A 86 4.072 12.982 -10.752 1.00 0.00 N ATOM 1371 CA ILE A 86 2.981 12.432 -11.547 1.00 0.00 C ATOM 1372 C ILE A 86 2.028 11.615 -10.682 1.00 0.00 C ATOM 1373 O ILE A 86 0.861 11.971 -10.519 1.00 0.00 O ATOM 1374 CB ILE A 86 3.509 11.544 -12.689 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.463 12.339 -13.583 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.352 10.987 -13.504 1.00 0.00 C ATOM 1377 CD1 ILE A 86 5.908 12.265 -13.141 1.00 0.00 C ATOM 0 H ILE A 86 4.857 12.345 -10.615 1.00 0.00 H new ATOM 0 HA ILE A 86 2.444 13.279 -11.975 1.00 0.00 H new ATOM 0 HB ILE A 86 4.059 10.708 -12.256 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.385 11.968 -14.605 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.149 13.383 -13.598 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.741 10.361 -14.307 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.707 10.390 -12.859 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.778 11.810 -13.930 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.527 12.851 -13.820 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.000 12.663 -12.131 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.239 11.227 -13.153 1.00 0.00 H new ATOM 1389 N ASP A 87 2.533 10.519 -10.127 1.00 0.00 N ATOM 1390 CA ASP A 87 1.728 9.651 -9.275 1.00 0.00 C ATOM 1391 C ASP A 87 0.715 10.464 -8.476 1.00 0.00 C ATOM 1392 O ASP A 87 -0.484 10.185 -8.508 1.00 0.00 O ATOM 1393 CB ASP A 87 2.626 8.856 -8.326 1.00 0.00 C ATOM 1394 CG ASP A 87 3.414 7.777 -9.043 1.00 0.00 C ATOM 1395 OD1 ASP A 87 2.934 7.285 -10.086 1.00 0.00 O ATOM 1396 OD2 ASP A 87 4.511 7.425 -8.561 1.00 0.00 O ATOM 0 H ASP A 87 3.497 10.210 -10.252 1.00 0.00 H new ATOM 0 HA ASP A 87 1.185 8.956 -9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.317 9.537 -7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.014 8.399 -7.549 1.00 0.00 H new ATOM 1401 N ARG A 88 1.205 11.470 -7.758 1.00 0.00 N ATOM 1402 CA ARG A 88 0.342 12.321 -6.948 1.00 0.00 C ATOM 1403 C ARG A 88 -0.903 12.732 -7.727 1.00 0.00 C ATOM 1404 O ARG A 88 -2.025 12.603 -7.236 1.00 0.00 O ATOM 1405 CB ARG A 88 1.104 13.567 -6.490 1.00 0.00 C ATOM 1406 CG ARG A 88 2.320 13.256 -5.632 1.00 0.00 C ATOM 1407 CD ARG A 88 3.182 14.490 -5.420 1.00 0.00 C ATOM 1408 NE ARG A 88 2.718 15.296 -4.294 1.00 0.00 N ATOM 1409 CZ ARG A 88 3.201 16.498 -4.002 1.00 0.00 C ATOM 1410 NH1 ARG A 88 4.157 17.032 -4.750 1.00 0.00 N ATOM 1411 NH2 ARG A 88 2.727 17.169 -2.960 1.00 0.00 N ATOM 0 H ARG A 88 2.194 11.715 -7.721 1.00 0.00 H new ATOM 0 HA ARG A 88 0.030 11.751 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.423 14.130 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.427 14.210 -5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.996 12.867 -4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.912 12.474 -6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.214 14.186 -5.247 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.176 15.096 -6.326 1.00 0.00 H new ATOM 0 HE ARG A 88 1.982 14.915 -3.699 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.523 16.519 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.526 17.955 -4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.991 16.762 -2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.098 18.092 -2.736 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.698 13.227 -8.943 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.804 13.658 -9.790 1.00 0.00 C ATOM 1427 C ARG A 89 -2.529 12.457 -10.390 1.00 0.00 C ATOM 1428 O ARG A 89 -3.673 12.567 -10.832 1.00 0.00 O ATOM 1429 CB ARG A 89 -1.294 14.570 -10.907 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.552 13.828 -12.008 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.694 14.534 -13.347 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.911 14.136 -14.049 1.00 0.00 N ATOM 1433 CZ ARG A 89 -2.406 14.793 -15.093 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -1.789 15.873 -15.553 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -3.518 14.369 -15.678 1.00 0.00 N ATOM 0 H ARG A 89 0.224 13.340 -9.364 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.508 14.213 -9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.139 15.102 -11.344 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.632 15.322 -10.477 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.503 13.748 -11.747 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.938 12.812 -12.088 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.703 15.612 -13.189 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.173 14.310 -13.969 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.408 13.308 -13.720 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.933 16.201 -15.106 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.170 16.376 -16.354 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.994 13.538 -15.327 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.897 14.874 -16.479 1.00 0.00 H new ATOM 1449 N SER A 90 -1.856 11.311 -10.403 1.00 0.00 N ATOM 1450 CA SER A 90 -2.434 10.091 -10.953 1.00 0.00 C ATOM 1451 C SER A 90 -3.312 9.392 -9.919 1.00 0.00 C ATOM 1452 O SER A 90 -4.204 8.618 -10.267 1.00 0.00 O ATOM 1453 CB SER A 90 -1.328 9.144 -11.423 1.00 0.00 C ATOM 1454 OG SER A 90 -1.791 8.294 -12.458 1.00 0.00 O ATOM 0 H SER A 90 -0.910 11.202 -10.039 1.00 0.00 H new ATOM 0 HA SER A 90 -3.055 10.365 -11.806 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.475 9.723 -11.778 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.978 8.543 -10.584 1.00 0.00 H new ATOM 0 HG SER A 90 -1.066 7.700 -12.742 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.052 9.671 -8.646 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.818 9.070 -7.560 1.00 0.00 C ATOM 1462 C LEU A 91 -5.052 9.905 -7.236 1.00 0.00 C ATOM 1463 O LEU A 91 -6.170 9.392 -7.203 1.00 0.00 O ATOM 1464 CB LEU A 91 -2.944 8.926 -6.313 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.671 9.012 -4.970 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -2.956 8.173 -3.922 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.779 10.460 -4.514 1.00 0.00 C ATOM 0 H LEU A 91 -2.317 10.309 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.146 8.082 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.429 7.967 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.178 9.701 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.679 8.616 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.487 8.246 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.931 7.132 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.937 8.539 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.299 10.502 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.780 10.882 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.335 11.034 -5.255 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.841 11.196 -7.000 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.937 12.103 -6.680 1.00 0.00 C ATOM 1481 C GLU A 92 -7.138 11.845 -7.585 1.00 0.00 C ATOM 1482 O GLU A 92 -8.273 12.170 -7.236 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.483 13.558 -6.820 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.353 14.019 -8.262 1.00 0.00 C ATOM 1485 CD GLU A 92 -5.287 15.528 -8.388 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -6.040 16.218 -7.669 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -4.482 16.020 -9.207 1.00 0.00 O ATOM 0 H GLU A 92 -3.922 11.637 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.235 11.921 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.194 14.203 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.522 13.680 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.455 13.582 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.201 13.647 -8.836 1.00 0.00 H new ATOM 1494 N SER A 93 -6.879 11.258 -8.749 1.00 0.00 N ATOM 1495 CA SER A 93 -7.937 10.960 -9.707 1.00 0.00 C ATOM 1496 C SER A 93 -8.855 9.861 -9.179 1.00 0.00 C ATOM 1497 O SER A 93 -10.070 10.038 -9.095 1.00 0.00 O ATOM 1498 CB SER A 93 -7.336 10.536 -11.048 1.00 0.00 C ATOM 1499 OG SER A 93 -8.341 10.396 -12.037 1.00 0.00 O ATOM 0 H SER A 93 -5.946 10.979 -9.051 1.00 0.00 H new ATOM 0 HA SER A 93 -8.527 11.865 -9.851 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.604 11.276 -11.372 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.804 9.592 -10.929 1.00 0.00 H new ATOM 0 HG SER A 93 -7.930 10.126 -12.885 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.263 8.725 -8.822 1.00 0.00 N ATOM 1506 CA VAL A 94 -9.025 7.597 -8.301 1.00 0.00 C ATOM 1507 C VAL A 94 -9.882 8.016 -7.111 1.00 0.00 C ATOM 1508 O VAL A 94 -11.093 7.793 -7.096 1.00 0.00 O ATOM 1509 CB VAL A 94 -8.098 6.444 -7.871 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.902 5.324 -7.229 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -7.304 5.928 -9.061 1.00 0.00 C ATOM 0 H VAL A 94 -7.258 8.562 -8.884 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.672 7.252 -9.108 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.394 6.823 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.231 4.518 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.421 5.706 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.631 4.943 -7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.654 5.114 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.990 5.564 -9.826 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.698 6.735 -9.472 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.246 8.625 -6.116 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.950 9.076 -4.921 1.00 0.00 C ATOM 1523 C LEU A 95 -11.158 9.932 -5.291 1.00 0.00 C ATOM 1524 O LEU A 95 -12.189 9.890 -4.621 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.005 9.871 -4.018 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.649 9.225 -3.732 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.838 10.086 -2.777 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -7.834 7.825 -3.165 1.00 0.00 C ATOM 0 H LEU A 95 -8.244 8.818 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.302 8.196 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.832 10.845 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.508 10.050 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.101 9.146 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.876 9.610 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.675 11.068 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.381 10.198 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.858 7.381 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.402 7.881 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.374 7.210 -3.884 1.00 0.00 H new ATOM 1540 N SER A 96 -11.022 10.706 -6.363 1.00 0.00 N ATOM 1541 CA SER A 96 -12.101 11.573 -6.822 1.00 0.00 C ATOM 1542 C SER A 96 -13.243 10.752 -7.413 1.00 0.00 C ATOM 1543 O SER A 96 -14.401 10.912 -7.028 1.00 0.00 O ATOM 1544 CB SER A 96 -11.579 12.565 -7.863 1.00 0.00 C ATOM 1545 OG SER A 96 -12.599 13.460 -8.271 1.00 0.00 O ATOM 0 H SER A 96 -10.175 10.750 -6.930 1.00 0.00 H new ATOM 0 HA SER A 96 -12.481 12.126 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.743 13.127 -7.447 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.199 12.022 -8.729 1.00 0.00 H new ATOM 0 HG SER A 96 -12.240 14.085 -8.935 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.908 9.873 -8.352 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.904 9.028 -8.998 1.00 0.00 C ATOM 1553 C ARG A 97 -14.612 8.143 -7.976 1.00 0.00 C ATOM 1554 O ARG A 97 -15.841 8.124 -7.900 1.00 0.00 O ATOM 1555 CB ARG A 97 -13.248 8.159 -10.073 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.266 8.916 -10.952 1.00 0.00 C ATOM 1557 CD ARG A 97 -12.204 8.327 -12.353 1.00 0.00 C ATOM 1558 NE ARG A 97 -11.553 9.230 -13.298 1.00 0.00 N ATOM 1559 CZ ARG A 97 -11.589 9.065 -14.615 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -12.241 8.037 -15.141 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -10.972 9.930 -15.411 1.00 0.00 N ATOM 0 H ARG A 97 -11.954 9.728 -8.682 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.644 9.676 -9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.728 7.331 -9.591 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -14.025 7.725 -10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.560 9.964 -11.009 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.275 8.888 -10.500 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.664 7.381 -12.325 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -13.214 8.107 -12.699 1.00 0.00 H new ATOM 0 HE ARG A 97 -11.043 10.031 -12.926 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.717 7.370 -14.533 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.267 7.913 -16.153 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.470 10.722 -15.011 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -11.000 9.802 -16.423 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.828 7.411 -7.192 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.378 6.524 -6.173 1.00 0.00 C ATOM 1577 C LYS A 98 -15.281 7.292 -5.213 1.00 0.00 C ATOM 1578 O LYS A 98 -16.471 6.997 -5.094 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.248 5.845 -5.395 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.242 5.132 -6.282 1.00 0.00 C ATOM 1581 CD LYS A 98 -12.755 3.772 -6.727 1.00 0.00 C ATOM 1582 CE LYS A 98 -11.766 3.079 -7.651 1.00 0.00 C ATOM 1583 NZ LYS A 98 -12.343 1.847 -8.257 1.00 0.00 N ATOM 0 H LYS A 98 -12.809 7.414 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.975 5.762 -6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.727 6.594 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.679 5.126 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.029 5.745 -7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.303 5.009 -5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -12.938 3.147 -5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.710 3.892 -7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.465 3.766 -8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.866 2.822 -7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.638 1.404 -8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.607 1.180 -7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.187 2.095 -8.811 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.708 8.278 -4.532 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.462 9.090 -3.583 1.00 0.00 C ATOM 1599 C LEU A 99 -16.583 9.849 -4.285 1.00 0.00 C ATOM 1600 O LEU A 99 -16.359 10.908 -4.868 1.00 0.00 O ATOM 1601 CB LEU A 99 -14.532 10.075 -2.872 1.00 0.00 C ATOM 1602 CG LEU A 99 -13.344 9.460 -2.130 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -12.360 10.541 -1.710 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.822 8.671 -0.920 1.00 0.00 C ATOM 0 H LEU A 99 -13.725 8.535 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.907 8.422 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.149 10.779 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.122 10.651 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.832 8.775 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.521 10.085 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.993 11.062 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.859 11.251 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.964 8.241 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.358 9.335 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.487 7.872 -1.246 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.792 9.299 -4.223 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.949 9.925 -4.852 1.00 0.00 C ATOM 1618 C ASN A 100 -19.469 11.083 -4.005 1.00 0.00 C ATOM 1619 O ASN A 100 -20.248 11.910 -4.479 1.00 0.00 O ATOM 1620 CB ASN A 100 -20.060 8.895 -5.063 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.506 8.251 -3.765 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -21.196 8.871 -2.956 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -20.112 6.999 -3.559 1.00 0.00 N ATOM 0 H ASN A 100 -17.995 8.422 -3.744 1.00 0.00 H new ATOM 0 HA ASN A 100 -18.637 10.317 -5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -20.914 9.378 -5.538 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.710 8.122 -5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -20.381 6.514 -2.703 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.541 6.523 -4.257 1.00 0.00 H new