USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 ASN : amide:sc=-0.00705 X(o=-0.0071,f=-0.023) USER MOD Single : A 23 CYS SG : rot 55:sc= -4.05! USER MOD Single : A 24 HIS : no HD1:sc= -0.603 X(o=-0.6,f=-0.58) USER MOD Single : A 25 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.59) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 100:sc= -0.445 USER MOD Single : A 33 GLN : amide:sc=-0.00323 X(o=-0.0032,f=-0.012) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.4!) USER MOD Single : A 39 MET CE :methyl 148:sc= -1.79 (180deg=-2.87) USER MOD Single : A 41 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=-0.087) USER MOD Single : A 45 GLN : amide:sc=-0.00828 X(o=-0.0083,f=-0.31) USER MOD Single : A 46 GLN : amide:sc= -0.34 K(o=-0.34,f=-2.2!) USER MOD Single : A 52 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.5!) USER MOD Single : A 56 SER OG : rot 180:sc= -0.139 USER MOD Single : A 57 MET CE :methyl 180:sc= -0.0579 (180deg=-0.0579) USER MOD Single : A 59 GLN : amide:sc=-0.00122 X(o=-0.0012,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0.741) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 12 -4.085 -0.618 8.172 1.00 0.00 N ATOM 115 CA PRO A 12 -3.795 -1.638 7.178 1.00 0.00 C ATOM 116 C PRO A 12 -5.070 -2.076 6.454 1.00 0.00 C ATOM 117 O PRO A 12 -5.179 -1.929 5.238 1.00 0.00 O ATOM 118 CB PRO A 12 -3.135 -2.766 7.953 1.00 0.00 C ATOM 119 CG PRO A 12 -3.497 -2.539 9.411 1.00 0.00 C ATOM 120 CD PRO A 12 -4.051 -1.129 9.539 1.00 0.00 C ATOM 0 HA PRO A 12 -3.138 -1.279 6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.492 -3.737 7.609 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.054 -2.756 7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.235 -3.271 9.740 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.620 -2.664 10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.046 -1.133 9.985 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.419 -0.512 10.177 1.00 0.00 H new ATOM 128 N VAL A 13 -6.002 -2.604 7.233 1.00 0.00 N ATOM 129 CA VAL A 13 -7.265 -3.064 6.681 1.00 0.00 C ATOM 130 C VAL A 13 -7.734 -2.084 5.605 1.00 0.00 C ATOM 131 O VAL A 13 -8.018 -2.484 4.477 1.00 0.00 O ATOM 132 CB VAL A 13 -8.288 -3.254 7.803 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.374 -2.006 8.684 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.661 -3.622 7.237 1.00 0.00 C ATOM 0 H VAL A 13 -5.908 -2.724 8.242 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.141 -4.036 6.203 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.951 -4.082 8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.108 -2.168 9.473 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.399 -1.808 9.130 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.676 -1.152 8.077 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.369 -3.751 8.055 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.009 -2.826 6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.585 -4.552 6.673 1.00 0.00 H new ATOM 144 N GLU A 14 -7.802 -0.818 5.991 1.00 0.00 N ATOM 145 CA GLU A 14 -8.231 0.223 5.073 1.00 0.00 C ATOM 146 C GLU A 14 -7.455 0.125 3.758 1.00 0.00 C ATOM 147 O GLU A 14 -8.042 -0.098 2.701 1.00 0.00 O ATOM 148 CB GLU A 14 -8.073 1.608 5.702 1.00 0.00 C ATOM 149 CG GLU A 14 -9.434 2.208 6.057 1.00 0.00 C ATOM 150 CD GLU A 14 -9.958 3.091 4.922 1.00 0.00 C ATOM 151 OE1 GLU A 14 -9.771 2.685 3.755 1.00 0.00 O ATOM 152 OE2 GLU A 14 -10.533 4.152 5.248 1.00 0.00 O ATOM 0 H GLU A 14 -7.567 -0.490 6.928 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.290 0.077 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.458 1.536 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.550 2.268 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.146 1.408 6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.349 2.797 6.970 1.00 0.00 H new ATOM 159 N ILE A 15 -6.145 0.296 3.868 1.00 0.00 N ATOM 160 CA ILE A 15 -5.282 0.230 2.701 1.00 0.00 C ATOM 161 C ILE A 15 -5.725 -0.932 1.809 1.00 0.00 C ATOM 162 O ILE A 15 -6.059 -0.731 0.642 1.00 0.00 O ATOM 163 CB ILE A 15 -3.814 0.154 3.124 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.393 1.421 3.873 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.910 -0.127 1.922 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.097 1.191 4.653 1.00 0.00 C ATOM 0 H ILE A 15 -5.661 0.480 4.747 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.373 1.140 2.109 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.701 -0.682 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.255 2.238 3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.185 1.723 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.872 -0.176 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.192 -1.077 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.021 0.672 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.820 2.106 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.245 0.390 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.301 0.913 3.962 1.00 0.00 H new ATOM 178 N GLU A 16 -5.714 -2.121 2.393 1.00 0.00 N ATOM 179 CA GLU A 16 -6.111 -3.315 1.665 1.00 0.00 C ATOM 180 C GLU A 16 -7.430 -3.074 0.929 1.00 0.00 C ATOM 181 O GLU A 16 -7.484 -3.151 -0.297 1.00 0.00 O ATOM 182 CB GLU A 16 -6.219 -4.519 2.604 1.00 0.00 C ATOM 183 CG GLU A 16 -4.973 -4.641 3.483 1.00 0.00 C ATOM 184 CD GLU A 16 -4.439 -6.075 3.480 1.00 0.00 C ATOM 185 OE1 GLU A 16 -3.855 -6.461 2.445 1.00 0.00 O ATOM 186 OE2 GLU A 16 -4.626 -6.753 4.514 1.00 0.00 O ATOM 0 H GLU A 16 -5.437 -2.284 3.361 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.341 -3.539 0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.103 -4.416 3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.347 -5.430 2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.201 -3.961 3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.212 -4.340 4.503 1.00 0.00 H new ATOM 193 N ASN A 17 -8.463 -2.787 1.709 1.00 0.00 N ATOM 194 CA ASN A 17 -9.778 -2.535 1.146 1.00 0.00 C ATOM 195 C ASN A 17 -9.632 -1.699 -0.127 1.00 0.00 C ATOM 196 O ASN A 17 -10.099 -2.097 -1.193 1.00 0.00 O ATOM 197 CB ASN A 17 -10.656 -1.754 2.126 1.00 0.00 C ATOM 198 CG ASN A 17 -11.645 -2.681 2.835 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.518 -3.280 2.229 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.461 -2.765 4.149 1.00 0.00 N ATOM 0 H ASN A 17 -8.415 -2.724 2.726 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.243 -3.497 0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.028 -1.254 2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.201 -0.976 1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.070 -3.358 4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.710 -2.237 4.594 1.00 0.00 H new ATOM 207 N ARG A 18 -8.981 -0.555 0.026 1.00 0.00 N ATOM 208 CA ARG A 18 -8.767 0.341 -1.098 1.00 0.00 C ATOM 209 C ARG A 18 -8.398 -0.458 -2.350 1.00 0.00 C ATOM 210 O ARG A 18 -8.981 -0.255 -3.414 1.00 0.00 O ATOM 211 CB ARG A 18 -7.654 1.347 -0.797 1.00 0.00 C ATOM 212 CG ARG A 18 -8.195 2.778 -0.793 1.00 0.00 C ATOM 213 CD ARG A 18 -9.039 3.048 -2.040 1.00 0.00 C ATOM 214 NE ARG A 18 -8.518 4.233 -2.757 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.073 4.746 -3.864 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.169 4.181 -4.387 1.00 0.00 N ATOM 217 NH2 ARG A 18 -8.531 5.824 -4.447 1.00 0.00 N ATOM 0 H ARG A 18 -8.595 -0.228 0.912 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.696 0.885 -1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.206 1.121 0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.864 1.255 -1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.798 2.940 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.366 3.484 -0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.021 2.178 -2.697 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.079 3.212 -1.757 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.684 4.688 -2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.581 3.360 -3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.591 4.571 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.696 6.254 -4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.953 6.215 -5.289 1.00 0.00 H new ATOM 231 N ILE A 19 -7.431 -1.349 -2.181 1.00 0.00 N ATOM 232 CA ILE A 19 -6.977 -2.178 -3.285 1.00 0.00 C ATOM 233 C ILE A 19 -8.155 -2.993 -3.822 1.00 0.00 C ATOM 234 O ILE A 19 -8.347 -3.089 -5.034 1.00 0.00 O ATOM 235 CB ILE A 19 -5.783 -3.033 -2.856 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.552 -2.163 -2.592 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.499 -4.132 -3.882 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.692 -2.755 -1.474 1.00 0.00 C ATOM 0 H ILE A 19 -6.950 -1.515 -1.297 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.617 -1.557 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.036 -3.526 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.961 -2.077 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.866 -1.155 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.646 -4.725 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.373 -4.776 -3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.275 -3.679 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.824 -2.118 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.279 -2.817 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.360 -3.753 -1.760 1.00 0.00 H new ATOM 250 N ILE A 20 -8.914 -3.559 -2.896 1.00 0.00 N ATOM 251 CA ILE A 20 -10.068 -4.362 -3.262 1.00 0.00 C ATOM 252 C ILE A 20 -11.002 -3.533 -4.146 1.00 0.00 C ATOM 253 O ILE A 20 -11.297 -3.918 -5.276 1.00 0.00 O ATOM 254 CB ILE A 20 -10.746 -4.927 -2.012 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.729 -5.620 -1.102 1.00 0.00 C ATOM 256 CG2 ILE A 20 -11.904 -5.854 -2.387 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.811 -6.541 -1.907 1.00 0.00 C ATOM 0 H ILE A 20 -8.752 -3.477 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.759 -5.227 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.169 -4.096 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.132 -4.871 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.252 -6.198 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.368 -6.242 -1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.643 -5.298 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.527 -6.684 -2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.098 -7.021 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.408 -7.303 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.271 -5.956 -2.652 1.00 0.00 H new ATOM 269 N GLU A 21 -11.442 -2.410 -3.597 1.00 0.00 N ATOM 270 CA GLU A 21 -12.336 -1.523 -4.322 1.00 0.00 C ATOM 271 C GLU A 21 -11.810 -1.281 -5.738 1.00 0.00 C ATOM 272 O GLU A 21 -12.590 -1.169 -6.683 1.00 0.00 O ATOM 273 CB GLU A 21 -12.523 -0.202 -3.574 1.00 0.00 C ATOM 274 CG GLU A 21 -13.564 -0.344 -2.461 1.00 0.00 C ATOM 275 CD GLU A 21 -14.636 0.742 -2.572 1.00 0.00 C ATOM 276 OE1 GLU A 21 -14.239 1.924 -2.655 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.828 0.365 -2.571 1.00 0.00 O ATOM 0 H GLU A 21 -11.196 -2.094 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.312 -2.003 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.572 0.117 -3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.836 0.574 -4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.030 -1.328 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.074 -0.279 -1.489 1.00 0.00 H new ATOM 284 N LEU A 22 -10.491 -1.209 -5.842 1.00 0.00 N ATOM 285 CA LEU A 22 -9.853 -0.982 -7.127 1.00 0.00 C ATOM 286 C LEU A 22 -9.925 -2.263 -7.960 1.00 0.00 C ATOM 287 O LEU A 22 -10.456 -2.257 -9.070 1.00 0.00 O ATOM 288 CB LEU A 22 -8.430 -0.455 -6.933 1.00 0.00 C ATOM 289 CG LEU A 22 -8.244 1.054 -7.108 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.513 1.659 -5.909 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.538 1.369 -8.429 1.00 0.00 C ATOM 0 H LEU A 22 -9.847 -1.304 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.382 -0.208 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.096 -0.729 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.775 -0.966 -7.639 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.230 1.517 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.394 2.732 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.092 1.481 -5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.531 1.195 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.418 2.448 -8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.558 0.892 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.135 0.992 -9.259 1.00 0.00 H new ATOM 303 N CYS A 23 -9.384 -3.332 -7.393 1.00 0.00 N ATOM 304 CA CYS A 23 -9.380 -4.617 -8.070 1.00 0.00 C ATOM 305 C CYS A 23 -10.783 -4.871 -8.627 1.00 0.00 C ATOM 306 O CYS A 23 -10.937 -5.528 -9.655 1.00 0.00 O ATOM 307 CB CYS A 23 -8.923 -5.744 -7.141 1.00 0.00 C ATOM 308 SG CYS A 23 -7.310 -5.318 -6.388 1.00 0.00 S ATOM 0 H CYS A 23 -8.945 -3.334 -6.472 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.662 -4.597 -8.890 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.666 -5.907 -6.361 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.838 -6.676 -7.700 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.401 -4.168 -5.788 1.00 0.00 H new ATOM 314 N HIS A 24 -11.770 -4.337 -7.922 1.00 0.00 N ATOM 315 CA HIS A 24 -13.154 -4.497 -8.333 1.00 0.00 C ATOM 316 C HIS A 24 -13.444 -3.584 -9.527 1.00 0.00 C ATOM 317 O HIS A 24 -14.086 -4.001 -10.490 1.00 0.00 O ATOM 318 CB HIS A 24 -14.102 -4.254 -7.157 1.00 0.00 C ATOM 319 CG HIS A 24 -14.399 -5.490 -6.342 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.773 -6.693 -6.914 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.372 -5.696 -4.994 1.00 0.00 C ATOM 322 CE1 HIS A 24 -14.961 -7.577 -5.945 1.00 0.00 C ATOM 323 NE2 HIS A 24 -14.712 -6.957 -4.756 1.00 0.00 N ATOM 0 H HIS A 24 -11.638 -3.793 -7.069 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.325 -5.524 -8.655 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.668 -3.497 -6.504 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -15.039 -3.848 -7.537 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.117 -4.959 -4.247 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.259 -8.607 -6.074 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.776 -7.391 -3.835 1.00 0.00 H new ATOM 331 N GLN A 25 -12.958 -2.356 -9.423 1.00 0.00 N ATOM 332 CA GLN A 25 -13.157 -1.381 -10.482 1.00 0.00 C ATOM 333 C GLN A 25 -12.454 -1.837 -11.762 1.00 0.00 C ATOM 334 O GLN A 25 -12.945 -1.596 -12.864 1.00 0.00 O ATOM 335 CB GLN A 25 -12.668 0.003 -10.051 1.00 0.00 C ATOM 336 CG GLN A 25 -13.841 0.895 -9.639 1.00 0.00 C ATOM 337 CD GLN A 25 -14.888 0.974 -10.752 1.00 0.00 C ATOM 338 OE1 GLN A 25 -15.995 0.475 -10.634 1.00 0.00 O ATOM 339 NE2 GLN A 25 -14.477 1.626 -11.836 1.00 0.00 N ATOM 0 H GLN A 25 -12.427 -2.014 -8.622 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.225 -1.306 -10.685 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.972 -0.096 -9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.121 0.471 -10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.299 0.503 -8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.477 1.896 -9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.537 2.020 -11.868 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.102 1.732 -12.635 1.00 0.00 H new ATOM 348 N PHE A 26 -11.315 -2.487 -11.575 1.00 0.00 N ATOM 349 CA PHE A 26 -10.540 -2.979 -12.701 1.00 0.00 C ATOM 350 C PHE A 26 -10.372 -4.498 -12.630 1.00 0.00 C ATOM 351 O PHE A 26 -9.579 -5.002 -11.837 1.00 0.00 O ATOM 352 CB PHE A 26 -9.161 -2.321 -12.616 1.00 0.00 C ATOM 353 CG PHE A 26 -9.204 -0.793 -12.547 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.482 -0.173 -11.369 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.964 -0.055 -13.664 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.521 1.245 -11.305 1.00 0.00 C ATOM 357 CE2 PHE A 26 -9.003 1.363 -13.600 1.00 0.00 C ATOM 358 CZ PHE A 26 -9.281 1.983 -12.422 1.00 0.00 C ATOM 0 H PHE A 26 -10.910 -2.684 -10.660 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.049 -2.740 -13.635 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.643 -2.700 -11.735 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.573 -2.619 -13.484 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.673 -0.759 -10.482 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.744 -0.547 -14.600 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.741 1.737 -10.369 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.812 1.949 -14.487 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.311 3.061 -12.373 1.00 0.00 H new ATOM 368 N PRO A 27 -11.152 -5.203 -13.492 1.00 0.00 N ATOM 369 CA PRO A 27 -11.098 -6.654 -13.534 1.00 0.00 C ATOM 370 C PRO A 27 -9.827 -7.135 -14.237 1.00 0.00 C ATOM 371 O PRO A 27 -9.379 -8.260 -14.017 1.00 0.00 O ATOM 372 CB PRO A 27 -12.369 -7.075 -14.254 1.00 0.00 C ATOM 373 CG PRO A 27 -12.857 -5.840 -14.994 1.00 0.00 C ATOM 374 CD PRO A 27 -12.104 -4.640 -14.446 1.00 0.00 C ATOM 0 HA PRO A 27 -11.051 -7.102 -12.541 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.173 -7.893 -14.947 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.119 -7.429 -13.547 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.683 -5.943 -16.065 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.931 -5.712 -14.857 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.593 -4.096 -15.241 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.780 -3.936 -13.962 1.00 0.00 H new ATOM 382 N HIS A 28 -9.282 -6.260 -15.069 1.00 0.00 N ATOM 383 CA HIS A 28 -8.071 -6.581 -15.805 1.00 0.00 C ATOM 384 C HIS A 28 -6.870 -6.546 -14.859 1.00 0.00 C ATOM 385 O HIS A 28 -5.937 -7.335 -15.004 1.00 0.00 O ATOM 386 CB HIS A 28 -7.904 -5.651 -17.009 1.00 0.00 C ATOM 387 CG HIS A 28 -9.024 -5.745 -18.018 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.547 -4.638 -18.663 1.00 0.00 N ATOM 389 CD2 HIS A 28 -9.713 -6.825 -18.486 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.508 -5.046 -19.479 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.610 -6.401 -19.368 1.00 0.00 N ATOM 0 H HIS A 28 -9.657 -5.329 -15.250 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.143 -7.592 -16.207 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.834 -4.623 -16.654 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.961 -5.882 -17.505 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.556 -7.851 -18.189 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.106 -4.415 -20.120 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.267 -6.991 -19.878 1.00 0.00 H new ATOM 399 N GLY A 29 -6.931 -5.623 -13.910 1.00 0.00 N ATOM 400 CA GLY A 29 -5.860 -5.475 -12.939 1.00 0.00 C ATOM 401 C GLY A 29 -5.411 -4.016 -12.837 1.00 0.00 C ATOM 402 O GLY A 29 -5.842 -3.173 -13.623 1.00 0.00 O ATOM 0 H GLY A 29 -7.706 -4.970 -13.793 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.198 -5.824 -11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.015 -6.100 -13.226 1.00 0.00 H new ATOM 406 N ILE A 30 -4.550 -3.762 -11.862 1.00 0.00 N ATOM 407 CA ILE A 30 -4.038 -2.419 -11.647 1.00 0.00 C ATOM 408 C ILE A 30 -2.523 -2.483 -11.445 1.00 0.00 C ATOM 409 O ILE A 30 -1.991 -3.510 -11.025 1.00 0.00 O ATOM 410 CB ILE A 30 -4.783 -1.739 -10.497 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.460 -2.410 -9.160 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.289 -1.698 -10.768 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.324 -1.838 -8.036 1.00 0.00 C ATOM 0 H ILE A 30 -4.194 -4.463 -11.212 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.218 -1.797 -12.524 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.439 -0.707 -10.430 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.625 -3.485 -9.239 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.406 -2.266 -8.922 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.795 -1.210 -9.935 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.479 -1.141 -11.685 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.667 -2.715 -10.877 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.074 -2.332 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.139 -0.768 -7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.376 -2.005 -8.265 1.00 0.00 H new ATOM 425 N THR A 31 -1.870 -1.372 -11.754 1.00 0.00 N ATOM 426 CA THR A 31 -0.426 -1.289 -11.612 1.00 0.00 C ATOM 427 C THR A 31 -0.057 -0.353 -10.459 1.00 0.00 C ATOM 428 O THR A 31 -0.841 0.518 -10.087 1.00 0.00 O ATOM 429 CB THR A 31 0.157 -0.854 -12.958 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.684 0.221 -13.370 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.030 -1.912 -14.047 1.00 0.00 C ATOM 0 H THR A 31 -2.314 -0.522 -12.102 1.00 0.00 H new ATOM 0 HA THR A 31 0.003 -2.257 -11.353 1.00 0.00 H new ATOM 0 HB THR A 31 1.219 -0.638 -12.840 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.246 1.074 -13.170 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.401 -1.553 -14.981 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.469 -2.834 -13.748 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.094 -2.104 -14.189 1.00 0.00 H new ATOM 439 N ASP A 32 1.137 -0.566 -9.926 1.00 0.00 N ATOM 440 CA ASP A 32 1.620 0.247 -8.823 1.00 0.00 C ATOM 441 C ASP A 32 1.220 1.706 -9.057 1.00 0.00 C ATOM 442 O ASP A 32 0.605 2.330 -8.193 1.00 0.00 O ATOM 443 CB ASP A 32 3.145 0.187 -8.720 1.00 0.00 C ATOM 444 CG ASP A 32 3.683 -0.358 -7.395 1.00 0.00 C ATOM 445 OD1 ASP A 32 2.953 -1.159 -6.773 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.812 0.040 -7.035 1.00 0.00 O ATOM 0 H ASP A 32 1.784 -1.290 -10.238 1.00 0.00 H new ATOM 0 HA ASP A 32 1.181 -0.139 -7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.525 -0.433 -9.532 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.544 1.190 -8.872 1.00 0.00 H new ATOM 451 N GLN A 33 1.584 2.205 -10.228 1.00 0.00 N ATOM 452 CA GLN A 33 1.271 3.578 -10.586 1.00 0.00 C ATOM 453 C GLN A 33 -0.176 3.907 -10.214 1.00 0.00 C ATOM 454 O GLN A 33 -0.431 4.855 -9.473 1.00 0.00 O ATOM 455 CB GLN A 33 1.524 3.828 -12.074 1.00 0.00 C ATOM 456 CG GLN A 33 2.952 4.325 -12.311 1.00 0.00 C ATOM 457 CD GLN A 33 3.252 4.437 -13.807 1.00 0.00 C ATOM 458 OE1 GLN A 33 2.490 4.996 -14.579 1.00 0.00 O ATOM 459 NE2 GLN A 33 4.401 3.876 -14.172 1.00 0.00 N ATOM 0 H GLN A 33 2.093 1.683 -10.942 1.00 0.00 H new ATOM 0 HA GLN A 33 1.930 4.239 -10.023 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.357 2.908 -12.635 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.812 4.563 -12.449 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.086 5.297 -11.836 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.661 3.641 -11.844 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.992 3.424 -13.474 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.691 3.898 -15.150 1.00 0.00 H new ATOM 468 N VAL A 34 -1.087 3.104 -10.744 1.00 0.00 N ATOM 469 CA VAL A 34 -2.502 3.297 -10.477 1.00 0.00 C ATOM 470 C VAL A 34 -2.709 3.505 -8.975 1.00 0.00 C ATOM 471 O VAL A 34 -3.034 4.607 -8.536 1.00 0.00 O ATOM 472 CB VAL A 34 -3.306 2.121 -11.034 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.764 2.185 -10.574 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.214 2.068 -12.561 1.00 0.00 C ATOM 0 H VAL A 34 -0.872 2.318 -11.357 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.867 4.191 -10.983 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.871 1.202 -10.640 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.313 1.337 -10.984 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.804 2.150 -9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.216 3.113 -10.924 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.794 1.223 -12.931 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.610 2.992 -12.982 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.172 1.951 -12.859 1.00 0.00 H new ATOM 484 N ILE A 35 -2.513 2.428 -8.229 1.00 0.00 N ATOM 485 CA ILE A 35 -2.675 2.478 -6.786 1.00 0.00 C ATOM 486 C ILE A 35 -1.928 3.695 -6.236 1.00 0.00 C ATOM 487 O ILE A 35 -2.268 4.206 -5.169 1.00 0.00 O ATOM 488 CB ILE A 35 -2.243 1.154 -6.152 1.00 0.00 C ATOM 489 CG1 ILE A 35 -3.094 -0.006 -6.673 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.268 1.243 -4.625 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.246 -1.265 -6.866 1.00 0.00 C ATOM 0 H ILE A 35 -2.243 1.516 -8.597 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.726 2.602 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.212 0.955 -6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.903 -0.212 -5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.556 0.274 -7.620 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.957 0.289 -4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.586 2.027 -4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.279 1.477 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.875 -2.074 -7.237 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.453 -1.063 -7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.805 -1.556 -5.913 1.00 0.00 H new ATOM 503 N GLN A 36 -0.926 4.125 -6.988 1.00 0.00 N ATOM 504 CA GLN A 36 -0.129 5.272 -6.589 1.00 0.00 C ATOM 505 C GLN A 36 -0.926 6.564 -6.781 1.00 0.00 C ATOM 506 O GLN A 36 -1.078 7.349 -5.846 1.00 0.00 O ATOM 507 CB GLN A 36 1.189 5.321 -7.364 1.00 0.00 C ATOM 508 CG GLN A 36 2.355 5.680 -6.441 1.00 0.00 C ATOM 509 CD GLN A 36 3.656 5.827 -7.233 1.00 0.00 C ATOM 510 OE1 GLN A 36 4.506 4.952 -7.249 1.00 0.00 O ATOM 511 NE2 GLN A 36 3.763 6.981 -7.887 1.00 0.00 N ATOM 0 H GLN A 36 -0.648 3.699 -7.872 1.00 0.00 H new ATOM 0 HA GLN A 36 0.114 5.171 -5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.376 4.355 -7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.116 6.055 -8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.136 6.611 -5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.473 4.908 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.013 7.671 -7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.594 7.176 -8.445 1.00 0.00 H new ATOM 520 N ASN A 37 -1.414 6.745 -7.999 1.00 0.00 N ATOM 521 CA ASN A 37 -2.191 7.929 -8.326 1.00 0.00 C ATOM 522 C ASN A 37 -3.498 7.911 -7.531 1.00 0.00 C ATOM 523 O ASN A 37 -4.171 8.934 -7.411 1.00 0.00 O ATOM 524 CB ASN A 37 -2.543 7.963 -9.814 1.00 0.00 C ATOM 525 CG ASN A 37 -1.889 9.161 -10.505 1.00 0.00 C ATOM 526 OD1 ASN A 37 -1.471 10.121 -9.878 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.824 9.053 -11.829 1.00 0.00 N ATOM 0 H ASN A 37 -1.287 6.092 -8.772 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.592 8.805 -8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.214 7.040 -10.290 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.625 8.015 -9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.405 9.801 -12.382 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.193 8.222 -12.292 1.00 0.00 H new ATOM 534 N GLU A 38 -3.819 6.736 -7.008 1.00 0.00 N ATOM 535 CA GLU A 38 -5.034 6.571 -6.228 1.00 0.00 C ATOM 536 C GLU A 38 -4.735 6.743 -4.737 1.00 0.00 C ATOM 537 O GLU A 38 -5.446 7.461 -4.036 1.00 0.00 O ATOM 538 CB GLU A 38 -5.683 5.214 -6.504 1.00 0.00 C ATOM 539 CG GLU A 38 -6.175 5.125 -7.950 1.00 0.00 C ATOM 540 CD GLU A 38 -7.088 6.304 -8.292 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.201 6.342 -7.726 1.00 0.00 O ATOM 542 OE2 GLU A 38 -6.651 7.141 -9.112 1.00 0.00 O ATOM 0 H GLU A 38 -3.259 5.890 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.743 7.343 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.965 4.417 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.519 5.061 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.322 5.113 -8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.713 4.189 -8.098 1.00 0.00 H new ATOM 549 N MET A 39 -3.681 6.072 -4.297 1.00 0.00 N ATOM 550 CA MET A 39 -3.279 6.141 -2.902 1.00 0.00 C ATOM 551 C MET A 39 -1.773 6.382 -2.777 1.00 0.00 C ATOM 552 O MET A 39 -1.036 5.508 -2.324 1.00 0.00 O ATOM 553 CB MET A 39 -3.647 4.833 -2.199 1.00 0.00 C ATOM 554 CG MET A 39 -5.125 4.497 -2.406 1.00 0.00 C ATOM 555 SD MET A 39 -5.289 2.838 -3.046 1.00 0.00 S ATOM 556 CE MET A 39 -4.450 1.926 -1.761 1.00 0.00 C ATOM 0 H MET A 39 -3.093 5.478 -4.882 1.00 0.00 H new ATOM 0 HA MET A 39 -3.802 6.975 -2.433 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.029 4.022 -2.584 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.435 4.917 -1.133 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.663 4.586 -1.462 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.575 5.209 -3.098 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.903 0.940 -1.659 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.397 1.816 -2.021 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.537 2.464 -0.817 1.00 0.00 H new ATOM 566 N PRO A 40 -1.350 7.605 -3.197 1.00 0.00 N ATOM 567 CA PRO A 40 0.055 7.972 -3.137 1.00 0.00 C ATOM 568 C PRO A 40 0.479 8.281 -1.700 1.00 0.00 C ATOM 569 O PRO A 40 1.664 8.458 -1.423 1.00 0.00 O ATOM 570 CB PRO A 40 0.190 9.167 -4.066 1.00 0.00 C ATOM 571 CG PRO A 40 -1.217 9.712 -4.250 1.00 0.00 C ATOM 572 CD PRO A 40 -2.194 8.665 -3.740 1.00 0.00 C ATOM 0 HA PRO A 40 0.715 7.164 -3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.849 9.922 -3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.623 8.872 -5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.339 10.646 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.407 9.931 -5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.853 9.077 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.830 8.293 -4.543 1.00 0.00 H new ATOM 580 N HIS A 41 -0.513 8.336 -0.823 1.00 0.00 N ATOM 581 CA HIS A 41 -0.257 8.621 0.579 1.00 0.00 C ATOM 582 C HIS A 41 0.136 7.331 1.301 1.00 0.00 C ATOM 583 O HIS A 41 0.316 7.327 2.518 1.00 0.00 O ATOM 584 CB HIS A 41 -1.460 9.317 1.220 1.00 0.00 C ATOM 585 CG HIS A 41 -2.725 8.492 1.207 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.721 8.663 0.261 1.00 0.00 N ATOM 587 CD2 HIS A 41 -3.144 7.490 2.032 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.692 7.798 0.516 1.00 0.00 C ATOM 589 NE2 HIS A 41 -4.333 7.073 1.614 1.00 0.00 N ATOM 0 H HIS A 41 -1.495 8.188 -1.056 1.00 0.00 H new ATOM 0 HA HIS A 41 0.579 9.314 0.667 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.214 9.570 2.251 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.645 10.255 0.697 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.601 7.102 2.881 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.607 7.687 -0.047 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.887 6.332 2.043 1.00 0.00 H new ATOM 597 N ILE A 42 0.259 6.268 0.521 1.00 0.00 N ATOM 598 CA ILE A 42 0.628 4.974 1.071 1.00 0.00 C ATOM 599 C ILE A 42 2.150 4.822 1.027 1.00 0.00 C ATOM 600 O ILE A 42 2.795 5.268 0.080 1.00 0.00 O ATOM 601 CB ILE A 42 -0.123 3.852 0.352 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.632 4.102 0.371 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.239 2.486 0.938 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.206 3.883 1.773 1.00 0.00 C ATOM 0 H ILE A 42 0.110 6.276 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 42 0.330 4.906 2.117 1.00 0.00 H new ATOM 0 HB ILE A 42 0.189 3.847 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.840 5.121 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.124 3.434 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.309 1.706 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.310 2.315 0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.026 2.462 1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.280 4.067 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.018 2.856 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.729 4.569 2.473 1.00 0.00 H new ATOM 616 N GLU A 43 2.679 4.190 2.065 1.00 0.00 N ATOM 617 CA GLU A 43 4.113 3.973 2.157 1.00 0.00 C ATOM 618 C GLU A 43 4.546 2.867 1.191 1.00 0.00 C ATOM 619 O GLU A 43 3.722 2.071 0.744 1.00 0.00 O ATOM 620 CB GLU A 43 4.526 3.640 3.592 1.00 0.00 C ATOM 621 CG GLU A 43 4.649 4.910 4.435 1.00 0.00 C ATOM 622 CD GLU A 43 5.778 4.780 5.461 1.00 0.00 C ATOM 623 OE1 GLU A 43 5.740 3.791 6.224 1.00 0.00 O ATOM 624 OE2 GLU A 43 6.653 5.673 5.458 1.00 0.00 O ATOM 0 H GLU A 43 2.140 3.822 2.849 1.00 0.00 H new ATOM 0 HA GLU A 43 4.619 4.895 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.791 2.971 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.478 3.109 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.839 5.765 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.707 5.103 4.948 1.00 0.00 H new ATOM 631 N ALA A 44 5.838 2.854 0.898 1.00 0.00 N ATOM 632 CA ALA A 44 6.390 1.859 -0.006 1.00 0.00 C ATOM 633 C ALA A 44 6.131 0.462 0.561 1.00 0.00 C ATOM 634 O ALA A 44 5.801 -0.462 -0.182 1.00 0.00 O ATOM 635 CB ALA A 44 7.879 2.135 -0.220 1.00 0.00 C ATOM 0 H ALA A 44 6.518 3.516 1.270 1.00 0.00 H new ATOM 0 HA ALA A 44 5.905 1.914 -0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.294 1.389 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.007 3.128 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.399 2.085 0.736 1.00 0.00 H new ATOM 641 N GLN A 45 6.291 0.351 1.871 1.00 0.00 N ATOM 642 CA GLN A 45 6.079 -0.919 2.546 1.00 0.00 C ATOM 643 C GLN A 45 4.582 -1.176 2.734 1.00 0.00 C ATOM 644 O GLN A 45 4.108 -2.291 2.520 1.00 0.00 O ATOM 645 CB GLN A 45 6.815 -0.957 3.886 1.00 0.00 C ATOM 646 CG GLN A 45 8.232 -1.508 3.718 1.00 0.00 C ATOM 647 CD GLN A 45 9.160 -0.977 4.813 1.00 0.00 C ATOM 648 OE1 GLN A 45 9.232 0.211 5.079 1.00 0.00 O ATOM 649 NE2 GLN A 45 9.865 -1.922 5.430 1.00 0.00 N ATOM 0 H GLN A 45 6.565 1.119 2.484 1.00 0.00 H new ATOM 0 HA GLN A 45 6.489 -1.713 1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.859 0.046 4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.261 -1.577 4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.209 -2.597 3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.621 -1.228 2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.756 -2.899 5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.514 -1.669 6.175 1.00 0.00 H new ATOM 658 N GLN A 46 3.879 -0.126 3.133 1.00 0.00 N ATOM 659 CA GLN A 46 2.446 -0.224 3.353 1.00 0.00 C ATOM 660 C GLN A 46 1.740 -0.657 2.066 1.00 0.00 C ATOM 661 O GLN A 46 0.826 -1.479 2.102 1.00 0.00 O ATOM 662 CB GLN A 46 1.879 1.099 3.871 1.00 0.00 C ATOM 663 CG GLN A 46 2.427 1.422 5.263 1.00 0.00 C ATOM 664 CD GLN A 46 1.692 0.623 6.341 1.00 0.00 C ATOM 665 OE1 GLN A 46 1.776 -0.592 6.415 1.00 0.00 O ATOM 666 NE2 GLN A 46 0.968 1.370 7.169 1.00 0.00 N ATOM 0 H GLN A 46 4.275 0.797 3.310 1.00 0.00 H new ATOM 0 HA GLN A 46 2.266 -0.982 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.133 1.903 3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.791 1.043 3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.492 1.195 5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.322 2.489 5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.941 2.383 7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.439 0.930 7.922 1.00 0.00 H new ATOM 675 N ARG A 47 2.192 -0.084 0.960 1.00 0.00 N ATOM 676 CA ARG A 47 1.615 -0.401 -0.335 1.00 0.00 C ATOM 677 C ARG A 47 1.814 -1.883 -0.658 1.00 0.00 C ATOM 678 O ARG A 47 0.873 -2.567 -1.058 1.00 0.00 O ATOM 679 CB ARG A 47 2.249 0.444 -1.442 1.00 0.00 C ATOM 680 CG ARG A 47 1.253 1.468 -1.990 1.00 0.00 C ATOM 681 CD ARG A 47 1.491 1.721 -3.480 1.00 0.00 C ATOM 682 NE ARG A 47 2.258 2.974 -3.664 1.00 0.00 N ATOM 683 CZ ARG A 47 3.587 3.069 -3.522 1.00 0.00 C ATOM 684 NH1 ARG A 47 4.305 1.986 -3.194 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.198 4.247 -3.709 1.00 0.00 N ATOM 0 H ARG A 47 2.951 0.597 0.934 1.00 0.00 H new ATOM 0 HA ARG A 47 0.549 -0.177 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.128 0.958 -1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.590 -0.204 -2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.235 1.109 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.348 2.404 -1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.035 0.884 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.537 1.789 -4.003 1.00 0.00 H new ATOM 0 HE ARG A 47 1.742 3.818 -3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.840 1.089 -3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.317 2.058 -3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.651 5.071 -3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.210 4.320 -3.601 1.00 0.00 H new ATOM 699 N ALA A 48 3.045 -2.336 -0.470 1.00 0.00 N ATOM 700 CA ALA A 48 3.379 -3.725 -0.736 1.00 0.00 C ATOM 701 C ALA A 48 2.699 -4.617 0.305 1.00 0.00 C ATOM 702 O ALA A 48 1.996 -5.563 -0.048 1.00 0.00 O ATOM 703 CB ALA A 48 4.900 -3.892 -0.742 1.00 0.00 C ATOM 0 H ALA A 48 3.823 -1.766 -0.137 1.00 0.00 H new ATOM 0 HA ALA A 48 3.014 -4.026 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.151 -4.934 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.332 -3.260 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.302 -3.602 0.229 1.00 0.00 H new ATOM 709 N VAL A 49 2.933 -4.284 1.566 1.00 0.00 N ATOM 710 CA VAL A 49 2.351 -5.043 2.660 1.00 0.00 C ATOM 711 C VAL A 49 0.912 -5.421 2.304 1.00 0.00 C ATOM 712 O VAL A 49 0.595 -6.600 2.156 1.00 0.00 O ATOM 713 CB VAL A 49 2.456 -4.248 3.962 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.330 -4.625 4.928 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.826 -4.443 4.615 1.00 0.00 C ATOM 0 H VAL A 49 3.517 -3.499 1.854 1.00 0.00 H new ATOM 0 HA VAL A 49 2.901 -5.971 2.816 1.00 0.00 H new ATOM 0 HB VAL A 49 2.348 -3.191 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.428 -4.045 5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.367 -4.411 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.392 -5.688 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.874 -3.867 5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.976 -5.499 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.606 -4.102 3.934 1.00 0.00 H new ATOM 725 N ALA A 50 0.079 -4.398 2.179 1.00 0.00 N ATOM 726 CA ALA A 50 -1.319 -4.608 1.844 1.00 0.00 C ATOM 727 C ALA A 50 -1.418 -5.604 0.686 1.00 0.00 C ATOM 728 O ALA A 50 -2.140 -6.595 0.775 1.00 0.00 O ATOM 729 CB ALA A 50 -1.973 -3.265 1.515 1.00 0.00 C ATOM 0 H ALA A 50 0.346 -3.421 2.304 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.857 -5.033 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.022 -3.423 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.902 -2.605 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.461 -2.809 0.667 1.00 0.00 H new ATOM 735 N ILE A 51 -0.681 -5.305 -0.374 1.00 0.00 N ATOM 736 CA ILE A 51 -0.676 -6.161 -1.548 1.00 0.00 C ATOM 737 C ILE A 51 -0.346 -7.594 -1.127 1.00 0.00 C ATOM 738 O ILE A 51 -1.165 -8.497 -1.291 1.00 0.00 O ATOM 739 CB ILE A 51 0.266 -5.601 -2.615 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.345 -4.376 -3.298 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.658 -6.684 -3.623 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.744 -3.467 -3.871 1.00 0.00 C ATOM 0 H ILE A 51 -0.083 -4.482 -0.444 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.664 -6.183 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 51 1.182 -5.272 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.014 -4.696 -4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.949 -3.819 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.328 -6.260 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.163 -7.499 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.237 -7.066 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.282 -2.604 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.396 -3.129 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.330 -4.020 -4.605 1.00 0.00 H new ATOM 754 N ASN A 52 0.855 -7.759 -0.592 1.00 0.00 N ATOM 755 CA ASN A 52 1.304 -9.067 -0.147 1.00 0.00 C ATOM 756 C ASN A 52 0.169 -9.759 0.612 1.00 0.00 C ATOM 757 O ASN A 52 -0.158 -10.911 0.331 1.00 0.00 O ATOM 758 CB ASN A 52 2.500 -8.947 0.799 1.00 0.00 C ATOM 759 CG ASN A 52 3.533 -10.040 0.518 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.276 -11.009 -0.177 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.713 -9.830 1.096 1.00 0.00 N ATOM 0 H ASN A 52 1.531 -7.008 -0.457 1.00 0.00 H new ATOM 0 HA ASN A 52 1.596 -9.640 -1.027 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.962 -7.967 0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.160 -9.020 1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.470 -10.502 0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.861 -8.997 1.666 1.00 0.00 H new ATOM 768 N ARG A 53 -0.400 -9.027 1.558 1.00 0.00 N ATOM 769 CA ARG A 53 -1.491 -9.556 2.359 1.00 0.00 C ATOM 770 C ARG A 53 -2.604 -10.088 1.454 1.00 0.00 C ATOM 771 O ARG A 53 -2.899 -11.282 1.464 1.00 0.00 O ATOM 772 CB ARG A 53 -2.066 -8.482 3.285 1.00 0.00 C ATOM 773 CG ARG A 53 -1.741 -8.789 4.748 1.00 0.00 C ATOM 774 CD ARG A 53 -0.517 -7.998 5.216 1.00 0.00 C ATOM 775 NE ARG A 53 0.586 -8.926 5.553 1.00 0.00 N ATOM 776 CZ ARG A 53 0.591 -9.728 6.626 1.00 0.00 C ATOM 777 NH1 ARG A 53 -0.448 -9.721 7.473 1.00 0.00 N ATOM 778 NH2 ARG A 53 1.635 -10.537 6.853 1.00 0.00 N ATOM 0 H ARG A 53 -0.126 -8.072 1.788 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.092 -10.368 2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.659 -7.508 3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.146 -8.423 3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.599 -8.543 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.556 -9.857 4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.198 -7.309 4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.775 -7.395 6.086 1.00 0.00 H new ATOM 0 HE ARG A 53 1.393 -8.957 4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.242 -9.105 7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.444 -10.332 8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.426 -10.542 6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.639 -11.148 7.670 1.00 0.00 H new ATOM 792 N LEU A 54 -3.191 -9.176 0.693 1.00 0.00 N ATOM 793 CA LEU A 54 -4.265 -9.539 -0.216 1.00 0.00 C ATOM 794 C LEU A 54 -3.829 -10.737 -1.062 1.00 0.00 C ATOM 795 O LEU A 54 -4.548 -11.731 -1.156 1.00 0.00 O ATOM 796 CB LEU A 54 -4.699 -8.328 -1.044 1.00 0.00 C ATOM 797 CG LEU A 54 -5.134 -7.094 -0.249 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.586 -5.971 -1.185 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.211 -7.454 0.776 1.00 0.00 C ATOM 0 H LEU A 54 -2.943 -8.187 0.687 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.148 -9.847 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.873 -8.043 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.524 -8.630 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.272 -6.724 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.890 -5.106 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.762 -5.691 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.428 -6.315 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.502 -6.560 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.081 -7.863 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.818 -8.197 1.471 1.00 0.00 H new ATOM 811 N LEU A 55 -2.652 -10.604 -1.656 1.00 0.00 N ATOM 812 CA LEU A 55 -2.111 -11.663 -2.491 1.00 0.00 C ATOM 813 C LEU A 55 -2.351 -13.014 -1.814 1.00 0.00 C ATOM 814 O LEU A 55 -3.129 -13.830 -2.306 1.00 0.00 O ATOM 815 CB LEU A 55 -0.642 -11.391 -2.817 1.00 0.00 C ATOM 816 CG LEU A 55 -0.369 -10.211 -3.752 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.134 -9.995 -3.938 1.00 0.00 C ATOM 818 CD2 LEU A 55 -1.092 -10.392 -5.088 1.00 0.00 C ATOM 0 H LEU A 55 -2.058 -9.779 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.626 -11.691 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.109 -11.219 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.218 -12.289 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.769 -9.309 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.300 -9.151 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.594 -9.789 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.580 -10.892 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.881 -9.540 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.745 -11.306 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.166 -10.459 -4.914 1.00 0.00 H new ATOM 830 N SER A 56 -1.668 -13.208 -0.695 1.00 0.00 N ATOM 831 CA SER A 56 -1.798 -14.446 0.055 1.00 0.00 C ATOM 832 C SER A 56 -3.249 -14.639 0.500 1.00 0.00 C ATOM 833 O SER A 56 -3.877 -15.642 0.162 1.00 0.00 O ATOM 834 CB SER A 56 -0.865 -14.454 1.268 1.00 0.00 C ATOM 835 OG SER A 56 0.075 -13.384 1.226 1.00 0.00 O ATOM 0 H SER A 56 -1.023 -12.529 -0.290 1.00 0.00 H new ATOM 0 HA SER A 56 -1.512 -15.272 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.456 -14.381 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.332 -15.404 1.309 1.00 0.00 H new ATOM 0 HG SER A 56 0.651 -13.423 2.018 1.00 0.00 H new ATOM 841 N MET A 57 -3.740 -13.664 1.250 1.00 0.00 N ATOM 842 CA MET A 57 -5.105 -13.714 1.744 1.00 0.00 C ATOM 843 C MET A 57 -6.042 -14.329 0.703 1.00 0.00 C ATOM 844 O MET A 57 -6.915 -15.127 1.042 1.00 0.00 O ATOM 845 CB MET A 57 -5.578 -12.299 2.084 1.00 0.00 C ATOM 846 CG MET A 57 -4.933 -11.803 3.380 1.00 0.00 C ATOM 847 SD MET A 57 -6.196 -11.278 4.528 1.00 0.00 S ATOM 848 CE MET A 57 -5.808 -9.539 4.641 1.00 0.00 C ATOM 0 H MET A 57 -3.216 -12.834 1.528 1.00 0.00 H new ATOM 0 HA MET A 57 -5.125 -14.338 2.638 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.329 -11.622 1.267 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.663 -12.289 2.186 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.333 -12.597 3.825 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.257 -10.975 3.166 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.506 -9.054 5.323 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.791 -9.417 5.015 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.889 -9.083 3.654 1.00 0.00 H new ATOM 858 N GLY A 58 -5.831 -13.934 -0.544 1.00 0.00 N ATOM 859 CA GLY A 58 -6.646 -14.437 -1.637 1.00 0.00 C ATOM 860 C GLY A 58 -7.678 -13.395 -2.075 1.00 0.00 C ATOM 861 O GLY A 58 -8.694 -13.738 -2.677 1.00 0.00 O ATOM 0 H GLY A 58 -5.107 -13.271 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.008 -14.699 -2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.154 -15.350 -1.326 1.00 0.00 H new ATOM 865 N GLN A 59 -7.381 -12.144 -1.755 1.00 0.00 N ATOM 866 CA GLN A 59 -8.270 -11.050 -2.108 1.00 0.00 C ATOM 867 C GLN A 59 -7.714 -10.281 -3.309 1.00 0.00 C ATOM 868 O GLN A 59 -8.413 -9.460 -3.901 1.00 0.00 O ATOM 869 CB GLN A 59 -8.493 -10.119 -0.916 1.00 0.00 C ATOM 870 CG GLN A 59 -8.971 -10.901 0.309 1.00 0.00 C ATOM 871 CD GLN A 59 -10.342 -10.405 0.776 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.359 -10.620 0.136 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.312 -9.733 1.923 1.00 0.00 N ATOM 0 H GLN A 59 -6.537 -11.864 -1.255 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.237 -11.468 -2.386 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.566 -9.597 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.229 -9.359 -1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.027 -11.963 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.247 -10.795 1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.426 -9.589 2.407 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.175 -9.361 2.319 1.00 0.00 H new ATOM 882 N LEU A 60 -6.463 -10.575 -3.631 1.00 0.00 N ATOM 883 CA LEU A 60 -5.806 -9.921 -4.750 1.00 0.00 C ATOM 884 C LEU A 60 -5.016 -10.959 -5.550 1.00 0.00 C ATOM 885 O LEU A 60 -4.374 -11.835 -4.972 1.00 0.00 O ATOM 886 CB LEU A 60 -4.957 -8.746 -4.261 1.00 0.00 C ATOM 887 CG LEU A 60 -4.034 -8.107 -5.300 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.841 -7.434 -6.411 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.051 -7.139 -4.638 1.00 0.00 C ATOM 0 H LEU A 60 -5.887 -11.257 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.545 -9.491 -5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.626 -7.976 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.348 -9.087 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.444 -8.897 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.160 -6.988 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.465 -8.177 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.474 -6.657 -5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.406 -6.698 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.604 -6.349 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.441 -7.679 -3.914 1.00 0.00 H new ATOM 901 N ASP A 61 -5.090 -10.827 -6.866 1.00 0.00 N ATOM 902 CA ASP A 61 -4.390 -11.743 -7.750 1.00 0.00 C ATOM 903 C ASP A 61 -3.305 -10.980 -8.512 1.00 0.00 C ATOM 904 O ASP A 61 -3.592 -9.989 -9.183 1.00 0.00 O ATOM 905 CB ASP A 61 -5.345 -12.356 -8.776 1.00 0.00 C ATOM 906 CG ASP A 61 -5.569 -13.863 -8.632 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.694 -14.510 -8.017 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.610 -14.333 -9.139 1.00 0.00 O ATOM 0 H ASP A 61 -5.624 -10.100 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.958 -12.536 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.308 -11.852 -8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.958 -12.155 -9.775 1.00 0.00 H new ATOM 913 N LEU A 62 -2.080 -11.470 -8.383 1.00 0.00 N ATOM 914 CA LEU A 62 -0.951 -10.846 -9.051 1.00 0.00 C ATOM 915 C LEU A 62 -0.821 -11.417 -10.465 1.00 0.00 C ATOM 916 O LEU A 62 -0.898 -12.629 -10.658 1.00 0.00 O ATOM 917 CB LEU A 62 0.318 -10.995 -8.209 1.00 0.00 C ATOM 918 CG LEU A 62 1.304 -9.826 -8.269 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.478 -10.050 -7.314 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.772 -9.577 -9.704 1.00 0.00 C ATOM 0 H LEU A 62 -1.845 -12.292 -7.826 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.114 -9.773 -9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.025 -11.144 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.837 -11.899 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 62 0.787 -8.925 -7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.164 -9.205 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.105 -10.140 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.003 -10.964 -7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.472 -8.741 -9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.266 -10.471 -10.086 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.912 -9.341 -10.331 1.00 0.00 H new ATOM 932 N LEU A 63 -0.627 -10.516 -11.417 1.00 0.00 N ATOM 933 CA LEU A 63 -0.486 -10.915 -12.807 1.00 0.00 C ATOM 934 C LEU A 63 0.746 -10.233 -13.406 1.00 0.00 C ATOM 935 O LEU A 63 0.767 -9.015 -13.571 1.00 0.00 O ATOM 936 CB LEU A 63 -1.778 -10.637 -13.578 1.00 0.00 C ATOM 937 CG LEU A 63 -2.432 -11.847 -14.248 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.952 -11.815 -14.074 1.00 0.00 C ATOM 939 CD2 LEU A 63 -2.026 -11.945 -15.719 1.00 0.00 C ATOM 0 H LEU A 63 -0.564 -9.511 -11.253 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.323 -11.990 -12.880 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.499 -10.193 -12.892 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.567 -9.892 -14.345 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.070 -12.748 -13.753 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.392 -12.686 -14.559 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.197 -11.829 -13.012 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.351 -10.907 -14.526 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.505 -12.814 -16.171 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.340 -11.043 -16.244 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.943 -12.049 -15.792 1.00 0.00 H new ATOM 951 N ARG A 64 1.743 -11.050 -13.715 1.00 0.00 N ATOM 952 CA ARG A 64 2.975 -10.541 -14.292 1.00 0.00 C ATOM 953 C ARG A 64 2.768 -10.196 -15.768 1.00 0.00 C ATOM 954 O ARG A 64 2.662 -11.089 -16.609 1.00 0.00 O ATOM 955 CB ARG A 64 4.105 -11.564 -14.169 1.00 0.00 C ATOM 956 CG ARG A 64 4.460 -11.816 -12.701 1.00 0.00 C ATOM 957 CD ARG A 64 5.911 -12.279 -12.559 1.00 0.00 C ATOM 958 NE ARG A 64 6.002 -13.738 -12.789 1.00 0.00 N ATOM 959 CZ ARG A 64 5.464 -14.660 -11.979 1.00 0.00 C ATOM 960 NH1 ARG A 64 4.794 -14.281 -10.883 1.00 0.00 N ATOM 961 NH2 ARG A 64 5.596 -15.962 -12.267 1.00 0.00 N ATOM 0 H ARG A 64 1.722 -12.060 -13.576 1.00 0.00 H new ATOM 0 HA ARG A 64 3.252 -9.642 -13.741 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.806 -12.500 -14.640 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.985 -11.205 -14.703 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.308 -10.903 -12.125 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.792 -12.570 -12.286 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.542 -11.750 -13.273 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.283 -12.036 -11.564 1.00 0.00 H new ATOM 0 HE ARG A 64 6.505 -14.062 -13.615 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.693 -13.290 -10.664 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.385 -14.984 -10.267 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.106 -16.250 -13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.187 -16.665 -11.651 1.00 0.00 H new ATOM 975 N SER A 65 2.716 -8.900 -16.039 1.00 0.00 N ATOM 976 CA SER A 65 2.522 -8.427 -17.400 1.00 0.00 C ATOM 977 C SER A 65 3.627 -7.435 -17.770 1.00 0.00 C ATOM 978 O SER A 65 4.385 -6.995 -16.908 1.00 0.00 O ATOM 979 CB SER A 65 1.147 -7.778 -17.567 1.00 0.00 C ATOM 980 OG SER A 65 1.027 -6.579 -16.806 1.00 0.00 O ATOM 0 H SER A 65 2.805 -8.163 -15.340 1.00 0.00 H new ATOM 0 HA SER A 65 2.572 -9.284 -18.071 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.976 -7.557 -18.621 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.374 -8.482 -17.259 1.00 0.00 H new ATOM 0 HG SER A 65 0.136 -6.194 -16.941 1.00 0.00 H new ATOM 1021 N LEU A 69 4.465 -5.594 -12.433 1.00 0.00 N ATOM 1022 CA LEU A 69 3.436 -6.607 -12.267 1.00 0.00 C ATOM 1023 C LEU A 69 2.065 -5.931 -12.206 1.00 0.00 C ATOM 1024 O LEU A 69 1.975 -4.716 -12.034 1.00 0.00 O ATOM 1025 CB LEU A 69 3.742 -7.487 -11.054 1.00 0.00 C ATOM 1026 CG LEU A 69 5.182 -7.439 -10.537 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.305 -8.160 -9.193 1.00 0.00 C ATOM 1028 CD2 LEU A 69 6.157 -7.995 -11.577 1.00 0.00 C ATOM 0 HA LEU A 69 3.422 -7.279 -13.125 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.075 -7.197 -10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.503 -8.519 -11.309 1.00 0.00 H new ATOM 0 HG LEU A 69 5.451 -6.396 -10.370 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.338 -8.112 -8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.655 -7.680 -8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.010 -9.203 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.173 -7.949 -11.184 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.900 -9.031 -11.799 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.094 -7.402 -12.489 1.00 0.00 H new ATOM 1040 N LEU A 70 1.031 -6.747 -12.351 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.331 -6.242 -12.314 1.00 0.00 C ATOM 1042 C LEU A 70 -1.058 -6.837 -11.106 1.00 0.00 C ATOM 1043 O LEU A 70 -0.640 -7.862 -10.569 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.035 -6.505 -13.646 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.562 -6.404 -13.629 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.115 -6.221 -15.043 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.183 -7.610 -12.922 1.00 0.00 C ATOM 0 H LEU A 70 1.109 -7.754 -12.494 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.333 -5.159 -12.186 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.652 -5.798 -14.382 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.760 -7.503 -13.989 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.840 -5.518 -13.058 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.202 -6.152 -15.002 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.709 -5.307 -15.477 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.828 -7.073 -15.659 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.269 -7.513 -12.924 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.899 -8.524 -13.444 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.824 -7.653 -11.894 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.133 -6.169 -10.714 1.00 0.00 N ATOM 1060 CA TYR A 71 -2.922 -6.619 -9.580 1.00 0.00 C ATOM 1061 C TYR A 71 -4.418 -6.557 -9.894 1.00 0.00 C ATOM 1062 O TYR A 71 -4.968 -5.476 -10.097 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.611 -5.649 -8.439 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.117 -5.394 -8.228 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.232 -6.453 -8.213 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.655 -4.106 -8.053 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.174 -6.213 -8.014 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.751 -3.866 -7.854 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.596 -4.932 -7.845 1.00 0.00 C ATOM 1070 OH TYR A 71 2.924 -4.705 -7.657 1.00 0.00 O ATOM 0 H TYR A 71 -2.476 -5.319 -11.162 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.679 -7.651 -9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.107 -4.699 -8.638 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.036 -6.042 -7.516 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.594 -7.461 -8.350 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.348 -3.278 -8.065 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.877 -7.032 -7.999 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.126 -2.863 -7.715 1.00 0.00 H new ATOM 0 HH TYR A 71 3.080 -3.743 -7.552 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.033 -7.730 -9.923 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.455 -7.822 -10.208 1.00 0.00 C ATOM 1082 C ARG A 72 -7.181 -8.530 -9.063 1.00 0.00 C ATOM 1083 O ARG A 72 -6.558 -8.931 -8.082 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.707 -8.583 -11.511 1.00 0.00 C ATOM 1085 CG ARG A 72 -6.265 -10.042 -11.388 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.000 -10.925 -12.399 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.291 -12.247 -11.799 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.498 -13.365 -12.509 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -7.447 -13.327 -13.847 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -7.755 -14.519 -11.880 1.00 0.00 N ATOM 0 H ARG A 72 -4.573 -8.625 -9.754 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.839 -6.807 -10.313 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.767 -8.540 -11.762 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.167 -8.103 -12.327 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.190 -10.115 -11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.460 -10.401 -10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.928 -10.444 -12.707 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.392 -11.049 -13.295 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.337 -12.311 -10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.251 -12.448 -14.325 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.604 -14.177 -14.388 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.793 -14.547 -10.861 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.913 -15.370 -12.420 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.490 -8.662 -9.226 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.307 -9.315 -8.218 1.00 0.00 C ATOM 1106 C ILE A 73 -9.002 -10.814 -8.213 1.00 0.00 C ATOM 1107 O ILE A 73 -9.104 -11.476 -9.244 1.00 0.00 O ATOM 1108 CB ILE A 73 -10.787 -8.989 -8.435 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.332 -8.129 -7.293 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.606 -10.266 -8.632 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.010 -8.754 -5.934 1.00 0.00 C ATOM 0 H ILE A 73 -9.004 -8.328 -10.041 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.063 -8.937 -7.225 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.878 -8.404 -9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.902 -7.129 -7.349 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.411 -8.018 -7.400 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.654 -10.006 -8.784 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.235 -10.805 -9.504 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.513 -10.898 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.408 -8.123 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.462 -9.744 -5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.929 -8.841 -5.820 1.00 0.00 H new ATOM 1123 N LYS A 74 -8.634 -11.306 -7.039 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.313 -12.715 -6.885 1.00 0.00 C ATOM 1125 C LYS A 74 -9.575 -13.549 -7.115 1.00 0.00 C ATOM 1126 O LYS A 74 -10.427 -13.649 -6.232 1.00 0.00 O ATOM 1127 CB LYS A 74 -7.647 -12.968 -5.532 1.00 0.00 C ATOM 1128 CG LYS A 74 -6.686 -14.157 -5.607 1.00 0.00 C ATOM 1129 CD LYS A 74 -7.391 -15.397 -6.160 1.00 0.00 C ATOM 1130 CE LYS A 74 -6.459 -16.610 -6.144 1.00 0.00 C ATOM 1131 NZ LYS A 74 -5.999 -16.930 -7.514 1.00 0.00 N ATOM 0 H LYS A 74 -8.551 -10.754 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.585 -13.024 -7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.104 -12.077 -5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.410 -13.160 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.837 -13.904 -6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.289 -14.372 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.280 -15.609 -5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.726 -15.205 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.600 -16.407 -5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.978 -17.469 -5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.539 -17.863 -7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.814 -16.944 -8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.320 -16.208 -7.830 1.00 0.00 H new