USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 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 76 LYS NZ :NH3+ 169:sc= 0.176 (180deg=0.126) USER MOD Set 1.2: A 80 CYS SG : rot 85:sc= 0.333 USER MOD Set 1.3: A 95 CYS SG : rot -40:sc= -1.56 USER MOD Set 2.1: A 54 MET CE :methyl -120:sc= -4.84! (180deg=-6.11!) USER MOD Set 2.2: A 58 CYS SG : rot 34:sc= -5.3! USER MOD Set 2.3: A 112 SER OG : rot -58:sc= 0.21 USER MOD Set 3.1: A 25 LYS NZ :NH3+ -123:sc= -1.19 (180deg=0) USER MOD Set 3.2: A 27 ASN : amide:sc= -3.82 K(o=-5,f=-6.7!) USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00268) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.118 X(o=0.12,f=0) USER MOD Single : A 18 SER OG : rot -120:sc= -0.909 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0461) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= -0.445 (180deg=-1.31) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 39 TYR OH : rot 15:sc= -0.919 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.012) USER MOD Single : A 44 THR OG1 : rot 10:sc= -0.519 USER MOD Single : A 46 GLN : amide:sc= -0.0723 K(o=-0.072,f=-1.3) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -7.43! C(o=-7.4!,f=-7.7!) USER MOD Single : A 60 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.89) USER MOD Single : A 63 THR OG1 : rot 160:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.3!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 83 GLN : amide:sc= -3.47 K(o=-3.5,f=-4.8!) USER MOD Single : A 86 CYS SG : rot 103:sc= 0.129 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -21:sc= 0.505 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -155:sc= 0.115 USER MOD Single : A 106 LYS NZ :NH3+ 164:sc= -0.0204 (180deg=-0.235) USER MOD Single : A 108 THR OG1 : rot 78:sc= 0.223 USER MOD Single : A 110 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 -12.840 -2.151 -7.468 1.00 0.00 N ATOM 67 CA PHE A 8 -11.736 -1.493 -6.778 1.00 0.00 C ATOM 68 C PHE A 8 -11.265 -0.265 -7.551 1.00 0.00 C ATOM 69 O PHE A 8 -11.039 -0.327 -8.759 1.00 0.00 O ATOM 70 CB PHE A 8 -10.572 -2.468 -6.589 1.00 0.00 C ATOM 71 CG PHE A 8 -10.996 -3.818 -6.084 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.925 -3.929 -5.062 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.466 -4.975 -6.631 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.316 -5.169 -4.595 1.00 0.00 C ATOM 75 CE2 PHE A 8 -10.853 -6.218 -6.168 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.781 -6.315 -5.149 1.00 0.00 C ATOM 0 HA PHE A 8 -12.093 -1.169 -5.800 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.054 -2.591 -7.540 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.856 -2.036 -5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.348 -3.036 -4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.742 -4.905 -7.429 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -13.040 -5.242 -3.797 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.431 -7.112 -6.602 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.087 -7.285 -4.787 1.00 0.00 H new ATOM 86 N VAL A 9 -11.120 0.852 -6.845 1.00 0.00 N ATOM 87 CA VAL A 9 -10.676 2.095 -7.463 1.00 0.00 C ATOM 88 C VAL A 9 -9.429 1.873 -8.311 1.00 0.00 C ATOM 89 O VAL A 9 -9.429 2.131 -9.515 1.00 0.00 O ATOM 90 CB VAL A 9 -10.378 3.173 -6.404 1.00 0.00 C ATOM 91 CG1 VAL A 9 -10.122 4.518 -7.068 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.522 3.272 -5.407 1.00 0.00 C ATOM 0 H VAL A 9 -11.304 0.921 -5.844 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.489 2.439 -8.102 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.478 2.885 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.913 5.267 -6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.267 4.436 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.002 4.816 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.294 4.039 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.440 3.536 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.653 2.312 -4.907 1.00 0.00 H new ATOM 102 N LYS A 10 -8.367 1.391 -7.676 1.00 0.00 N ATOM 103 CA LYS A 10 -7.112 1.131 -8.371 1.00 0.00 C ATOM 104 C LYS A 10 -6.419 -0.103 -7.801 1.00 0.00 C ATOM 105 O LYS A 10 -6.448 -0.339 -6.593 1.00 0.00 O ATOM 106 CB LYS A 10 -6.185 2.344 -8.265 1.00 0.00 C ATOM 107 CG LYS A 10 -4.848 2.151 -8.959 1.00 0.00 C ATOM 108 CD LYS A 10 -3.955 3.370 -8.800 1.00 0.00 C ATOM 109 CE LYS A 10 -2.483 2.996 -8.869 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.105 2.477 -10.213 1.00 0.00 N ATOM 0 H LYS A 10 -8.350 1.172 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.339 0.946 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.686 3.212 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.010 2.566 -7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.346 1.275 -8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.012 1.955 -10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.184 4.095 -9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.164 3.853 -7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.875 3.869 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.264 2.241 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.087 2.265 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.643 1.610 -10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.321 3.193 -10.935 1.00 0.00 H new ATOM 124 N SER A 11 -5.797 -0.885 -8.677 1.00 0.00 N ATOM 125 CA SER A 11 -5.099 -2.095 -8.260 1.00 0.00 C ATOM 126 C SER A 11 -3.767 -2.234 -8.992 1.00 0.00 C ATOM 127 O SER A 11 -3.684 -2.014 -10.200 1.00 0.00 O ATOM 128 CB SER A 11 -5.969 -3.327 -8.523 1.00 0.00 C ATOM 129 OG SER A 11 -6.205 -3.498 -9.910 1.00 0.00 O ATOM 0 H SER A 11 -5.762 -0.702 -9.680 1.00 0.00 H new ATOM 0 HA SER A 11 -4.900 -2.020 -7.191 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.479 -4.214 -8.122 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.919 -3.224 -7.999 1.00 0.00 H new ATOM 0 HG SER A 11 -6.761 -4.292 -10.052 1.00 0.00 H new ATOM 135 N GLY A 12 -2.727 -2.601 -8.250 1.00 0.00 N ATOM 136 CA GLY A 12 -1.413 -2.762 -8.844 1.00 0.00 C ATOM 137 C GLY A 12 -0.454 -3.508 -7.936 1.00 0.00 C ATOM 138 O GLY A 12 -0.717 -3.671 -6.745 1.00 0.00 O ATOM 0 H GLY A 12 -2.771 -2.790 -7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.507 -3.299 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.000 -1.780 -9.076 1.00 0.00 H new ATOM 142 N TRP A 13 0.658 -3.964 -8.501 1.00 0.00 N ATOM 143 CA TRP A 13 1.658 -4.699 -7.734 1.00 0.00 C ATOM 144 C TRP A 13 2.509 -3.750 -6.898 1.00 0.00 C ATOM 145 O TRP A 13 3.098 -2.803 -7.421 1.00 0.00 O ATOM 146 CB TRP A 13 2.552 -5.513 -8.672 1.00 0.00 C ATOM 147 CG TRP A 13 1.913 -6.782 -9.148 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.417 -7.032 -10.395 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.700 -7.974 -8.383 1.00 0.00 C ATOM 150 NE1 TRP A 13 0.908 -8.307 -10.452 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.071 -8.906 -9.231 1.00 0.00 C ATOM 152 CE3 TRP A 13 1.982 -8.345 -7.066 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.719 -10.183 -8.802 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.632 -9.612 -6.641 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.007 -10.520 -7.507 1.00 0.00 C ATOM 0 H TRP A 13 0.890 -3.838 -9.486 1.00 0.00 H new ATOM 0 HA TRP A 13 1.136 -5.378 -7.060 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.814 -4.901 -9.535 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.482 -5.754 -8.158 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.424 -6.331 -11.216 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.478 -8.738 -11.271 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.465 -7.653 -6.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.236 -10.883 -9.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.844 -9.908 -5.624 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.748 -11.504 -7.146 1.00 0.00 H new ATOM 166 N LEU A 14 2.569 -4.008 -5.596 1.00 0.00 N ATOM 167 CA LEU A 14 3.349 -3.175 -4.686 1.00 0.00 C ATOM 168 C LEU A 14 4.031 -4.026 -3.619 1.00 0.00 C ATOM 169 O LEU A 14 3.509 -5.064 -3.211 1.00 0.00 O ATOM 170 CB LEU A 14 2.450 -2.129 -4.024 1.00 0.00 C ATOM 171 CG LEU A 14 1.691 -1.200 -4.972 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.612 -0.437 -4.219 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.649 -0.237 -5.656 1.00 0.00 C ATOM 0 H LEU A 14 2.087 -4.787 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 14 4.119 -2.667 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.724 -2.647 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.064 -1.518 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 14 1.211 -1.808 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.082 0.219 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.091 -1.143 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.071 0.160 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.091 0.416 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.158 0.365 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.385 -0.801 -6.228 1.00 0.00 H new ATOM 185 N LEU A 15 5.198 -3.578 -3.170 1.00 0.00 N ATOM 186 CA LEU A 15 5.951 -4.297 -2.148 1.00 0.00 C ATOM 187 C LEU A 15 5.532 -3.853 -0.750 1.00 0.00 C ATOM 188 O LEU A 15 5.100 -2.717 -0.553 1.00 0.00 O ATOM 189 CB LEU A 15 7.452 -4.071 -2.339 1.00 0.00 C ATOM 190 CG LEU A 15 7.998 -4.344 -3.741 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.199 -3.456 -4.028 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.370 -5.812 -3.892 1.00 0.00 C ATOM 0 H LEU A 15 5.643 -2.721 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 15 5.734 -5.360 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.680 -3.038 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.988 -4.705 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 15 7.218 -4.111 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.574 -3.664 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.902 -2.409 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.983 -3.657 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.757 -5.988 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.133 -6.071 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.487 -6.430 -3.730 1.00 0.00 H new ATOM 204 N ARG A 16 5.666 -4.755 0.216 1.00 0.00 N ATOM 205 CA ARG A 16 5.302 -4.456 1.596 1.00 0.00 C ATOM 206 C ARG A 16 6.284 -5.101 2.569 1.00 0.00 C ATOM 207 O ARG A 16 6.394 -6.325 2.634 1.00 0.00 O ATOM 208 CB ARG A 16 3.882 -4.943 1.889 1.00 0.00 C ATOM 209 CG ARG A 16 3.492 -4.838 3.355 1.00 0.00 C ATOM 210 CD ARG A 16 1.985 -4.920 3.537 1.00 0.00 C ATOM 211 NE ARG A 16 1.600 -4.869 4.945 1.00 0.00 N ATOM 212 CZ ARG A 16 0.394 -4.505 5.365 1.00 0.00 C ATOM 213 NH1 ARG A 16 -0.541 -4.163 4.489 1.00 0.00 N ATOM 214 NH2 ARG A 16 0.120 -4.485 6.663 1.00 0.00 N ATOM 0 H ARG A 16 6.024 -5.699 0.069 1.00 0.00 H new ATOM 0 HA ARG A 16 5.342 -3.375 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.178 -4.363 1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.790 -5.982 1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.972 -5.638 3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.858 -3.896 3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.510 -4.098 3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.616 -5.845 3.094 1.00 0.00 H new ATOM 0 HE ARG A 16 2.296 -5.127 5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.335 -4.179 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.467 -3.884 4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.836 -4.749 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.807 -4.205 6.984 1.00 0.00 H new ATOM 228 N GLN A 17 6.995 -4.269 3.323 1.00 0.00 N ATOM 229 CA GLN A 17 7.969 -4.760 4.292 1.00 0.00 C ATOM 230 C GLN A 17 7.283 -5.552 5.400 1.00 0.00 C ATOM 231 O GLN A 17 6.619 -4.980 6.265 1.00 0.00 O ATOM 232 CB GLN A 17 8.754 -3.593 4.894 1.00 0.00 C ATOM 233 CG GLN A 17 10.124 -3.989 5.419 1.00 0.00 C ATOM 234 CD GLN A 17 10.936 -2.797 5.886 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.751 -2.302 6.999 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.843 -2.328 5.037 1.00 0.00 N ATOM 0 H GLN A 17 6.915 -3.253 3.282 1.00 0.00 H new ATOM 0 HA GLN A 17 8.660 -5.423 3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.874 -2.818 4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.174 -3.157 5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.004 -4.689 6.246 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.672 -4.513 4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.963 -2.768 4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.419 -1.528 5.297 1.00 0.00 H new ATOM 245 N SER A 18 7.447 -6.870 5.368 1.00 0.00 N ATOM 246 CA SER A 18 6.840 -7.741 6.368 1.00 0.00 C ATOM 247 C SER A 18 7.482 -7.529 7.735 1.00 0.00 C ATOM 248 O SER A 18 8.554 -6.932 7.846 1.00 0.00 O ATOM 249 CB SER A 18 6.977 -9.206 5.949 1.00 0.00 C ATOM 250 OG SER A 18 8.307 -9.503 5.558 1.00 0.00 O ATOM 0 H SER A 18 7.995 -7.359 4.660 1.00 0.00 H new ATOM 0 HA SER A 18 5.782 -7.488 6.440 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.685 -9.853 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.297 -9.417 5.124 1.00 0.00 H new ATOM 0 HG SER A 18 8.313 -9.811 4.628 1.00 0.00 H new ATOM 256 N THR A 19 6.819 -8.022 8.776 1.00 0.00 N ATOM 257 CA THR A 19 7.322 -7.886 10.137 1.00 0.00 C ATOM 258 C THR A 19 8.078 -9.137 10.571 1.00 0.00 C ATOM 259 O THR A 19 8.857 -9.103 11.525 1.00 0.00 O ATOM 260 CB THR A 19 6.180 -7.619 11.135 1.00 0.00 C ATOM 261 OG1 THR A 19 5.152 -8.603 10.978 1.00 0.00 O ATOM 262 CG2 THR A 19 5.595 -6.230 10.928 1.00 0.00 C ATOM 0 H THR A 19 5.932 -8.520 8.702 1.00 0.00 H new ATOM 0 HA THR A 19 8.002 -7.034 10.138 1.00 0.00 H new ATOM 0 HB THR A 19 6.588 -7.678 12.144 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.430 -8.427 11.617 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.790 -6.064 11.644 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.373 -5.482 11.077 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.202 -6.148 9.915 1.00 0.00 H new ATOM 270 N ILE A 20 7.845 -10.238 9.866 1.00 0.00 N ATOM 271 CA ILE A 20 8.506 -11.499 10.178 1.00 0.00 C ATOM 272 C ILE A 20 9.760 -11.687 9.331 1.00 0.00 C ATOM 273 O ILE A 20 10.851 -11.909 9.858 1.00 0.00 O ATOM 274 CB ILE A 20 7.565 -12.698 9.954 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.436 -12.688 10.987 1.00 0.00 C ATOM 276 CG2 ILE A 20 8.344 -14.003 10.025 1.00 0.00 C ATOM 277 CD1 ILE A 20 5.342 -13.691 10.696 1.00 0.00 C ATOM 0 H ILE A 20 7.203 -10.283 9.074 1.00 0.00 H new ATOM 0 HA ILE A 20 8.784 -11.457 11.231 1.00 0.00 H new ATOM 0 HB ILE A 20 7.124 -12.615 8.961 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.854 -12.894 11.972 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.001 -11.689 11.028 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.666 -14.841 9.865 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.116 -14.009 9.255 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.810 -14.096 11.006 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.576 -13.628 11.469 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.897 -13.473 9.725 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.764 -14.696 10.684 1.00 0.00 H new ATOM 289 N LEU A 21 9.598 -11.594 8.016 1.00 0.00 N ATOM 290 CA LEU A 21 10.718 -11.752 7.095 1.00 0.00 C ATOM 291 C LEU A 21 11.565 -10.484 7.045 1.00 0.00 C ATOM 292 O LEU A 21 12.682 -10.490 6.527 1.00 0.00 O ATOM 293 CB LEU A 21 10.208 -12.093 5.693 1.00 0.00 C ATOM 294 CG LEU A 21 9.904 -13.568 5.430 1.00 0.00 C ATOM 295 CD1 LEU A 21 8.765 -14.045 6.318 1.00 0.00 C ATOM 296 CD2 LEU A 21 9.568 -13.790 3.963 1.00 0.00 C ATOM 0 H LEU A 21 8.702 -11.410 7.564 1.00 0.00 H new ATOM 0 HA LEU A 21 11.341 -12.570 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.301 -11.517 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.950 -11.761 4.967 1.00 0.00 H new ATOM 0 HG LEU A 21 10.793 -14.151 5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.563 -15.097 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.044 -13.923 7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.871 -13.457 6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.354 -14.845 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.694 -13.196 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.414 -13.488 3.346 1.00 0.00 H new ATOM 308 N LYS A 22 11.027 -9.398 7.589 1.00 0.00 N ATOM 309 CA LYS A 22 11.734 -8.122 7.611 1.00 0.00 C ATOM 310 C LYS A 22 12.339 -7.812 6.246 1.00 0.00 C ATOM 311 O LYS A 22 13.454 -7.297 6.154 1.00 0.00 O ATOM 312 CB LYS A 22 12.833 -8.143 8.676 1.00 0.00 C ATOM 313 CG LYS A 22 12.304 -8.065 10.098 1.00 0.00 C ATOM 314 CD LYS A 22 11.941 -6.640 10.480 1.00 0.00 C ATOM 315 CE LYS A 22 13.158 -5.865 10.964 1.00 0.00 C ATOM 316 NZ LYS A 22 13.555 -6.262 12.343 1.00 0.00 N ATOM 0 H LYS A 22 10.103 -9.375 8.021 1.00 0.00 H new ATOM 0 HA LYS A 22 11.015 -7.340 7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.418 -9.056 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.511 -7.307 8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.426 -8.704 10.196 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.056 -8.448 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.503 -6.132 9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.182 -6.654 11.263 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.992 -6.035 10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.941 -4.797 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.249 -5.582 12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.716 -6.270 12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.978 -7.212 12.323 1.00 0.00 H new ATOM 330 N ARG A 23 11.598 -8.128 5.189 1.00 0.00 N ATOM 331 CA ARG A 23 12.062 -7.882 3.829 1.00 0.00 C ATOM 332 C ARG A 23 10.909 -7.443 2.932 1.00 0.00 C ATOM 333 O ARG A 23 9.741 -7.671 3.249 1.00 0.00 O ATOM 334 CB ARG A 23 12.717 -9.141 3.256 1.00 0.00 C ATOM 335 CG ARG A 23 11.741 -10.068 2.551 1.00 0.00 C ATOM 336 CD ARG A 23 12.443 -11.296 1.994 1.00 0.00 C ATOM 337 NE ARG A 23 11.514 -12.199 1.320 1.00 0.00 N ATOM 338 CZ ARG A 23 11.894 -13.133 0.455 1.00 0.00 C ATOM 339 NH1 ARG A 23 13.178 -13.286 0.161 1.00 0.00 N ATOM 340 NH2 ARG A 23 10.989 -13.917 -0.117 1.00 0.00 N ATOM 0 H ARG A 23 10.674 -8.555 5.248 1.00 0.00 H new ATOM 0 HA ARG A 23 12.799 -7.080 3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.497 -8.847 2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.204 -9.687 4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.963 -10.378 3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.248 -9.531 1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.218 -10.984 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.941 -11.828 2.805 1.00 0.00 H new ATOM 0 HE ARG A 23 10.519 -12.108 1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.877 -12.686 0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.467 -14.004 -0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.001 -13.803 0.107 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.282 -14.634 -0.781 1.00 0.00 H new ATOM 354 N TRP A 24 11.245 -6.811 1.813 1.00 0.00 N ATOM 355 CA TRP A 24 10.237 -6.339 0.870 1.00 0.00 C ATOM 356 C TRP A 24 9.695 -7.491 0.031 1.00 0.00 C ATOM 357 O TRP A 24 10.424 -8.098 -0.753 1.00 0.00 O ATOM 358 CB TRP A 24 10.826 -5.261 -0.041 1.00 0.00 C ATOM 359 CG TRP A 24 11.242 -4.024 0.695 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.499 -3.710 1.127 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.397 -2.936 1.087 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.487 -2.492 1.763 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.210 -1.996 1.751 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.035 -2.663 0.939 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.702 -0.807 2.267 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.533 -1.482 1.452 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.365 -0.565 2.108 1.00 0.00 C ATOM 0 H TRP A 24 12.207 -6.614 1.537 1.00 0.00 H new ATOM 0 HA TRP A 24 9.413 -5.911 1.441 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.689 -5.671 -0.566 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.090 -4.994 -0.799 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.374 -4.328 0.989 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.298 -2.032 2.177 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.386 -3.362 0.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.341 -0.100 2.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.481 -1.262 1.345 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.943 0.350 2.496 1.00 0.00 H new ATOM 378 N LYS A 25 8.410 -7.787 0.200 1.00 0.00 N ATOM 379 CA LYS A 25 7.769 -8.865 -0.543 1.00 0.00 C ATOM 380 C LYS A 25 6.651 -8.326 -1.429 1.00 0.00 C ATOM 381 O LYS A 25 5.811 -7.545 -0.981 1.00 0.00 O ATOM 382 CB LYS A 25 7.209 -9.914 0.421 1.00 0.00 C ATOM 383 CG LYS A 25 5.809 -9.598 0.917 1.00 0.00 C ATOM 384 CD LYS A 25 5.513 -10.296 2.234 1.00 0.00 C ATOM 385 CE LYS A 25 5.011 -11.714 2.012 1.00 0.00 C ATOM 386 NZ LYS A 25 3.528 -11.765 1.890 1.00 0.00 N ATOM 0 H LYS A 25 7.792 -7.295 0.845 1.00 0.00 H new ATOM 0 HA LYS A 25 8.521 -9.330 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.199 -10.884 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.878 -10.002 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.701 -8.521 1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.079 -9.906 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.415 -10.320 2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.767 -9.727 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.464 -12.122 1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.329 -12.346 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.143 -12.411 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.135 -10.813 2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.269 -12.107 0.942 1.00 0.00 H new ATOM 400 N LYS A 26 6.646 -8.747 -2.689 1.00 0.00 N ATOM 401 CA LYS A 26 5.629 -8.308 -3.639 1.00 0.00 C ATOM 402 C LYS A 26 4.242 -8.769 -3.202 1.00 0.00 C ATOM 403 O LYS A 26 4.010 -9.959 -2.997 1.00 0.00 O ATOM 404 CB LYS A 26 5.941 -8.848 -5.036 1.00 0.00 C ATOM 405 CG LYS A 26 5.313 -8.036 -6.156 1.00 0.00 C ATOM 406 CD LYS A 26 6.236 -6.925 -6.625 1.00 0.00 C ATOM 407 CE LYS A 26 7.178 -7.406 -7.717 1.00 0.00 C ATOM 408 NZ LYS A 26 8.354 -8.128 -7.157 1.00 0.00 N ATOM 0 H LYS A 26 7.335 -9.392 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 26 5.639 -7.218 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.022 -8.869 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.591 -9.878 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.077 -8.692 -6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.372 -7.607 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.642 -6.090 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.816 -6.552 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.638 -8.064 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.521 -6.553 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.154 -8.055 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.619 -7.705 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.112 -9.130 -7.017 1.00 0.00 H new ATOM 422 N ASN A 27 3.324 -7.818 -3.064 1.00 0.00 N ATOM 423 CA ASN A 27 1.960 -8.127 -2.653 1.00 0.00 C ATOM 424 C ASN A 27 0.948 -7.413 -3.545 1.00 0.00 C ATOM 425 O ASN A 27 1.250 -6.378 -4.138 1.00 0.00 O ATOM 426 CB ASN A 27 1.741 -7.725 -1.193 1.00 0.00 C ATOM 427 CG ASN A 27 2.656 -8.474 -0.244 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.361 -7.870 0.563 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.647 -9.799 -0.337 1.00 0.00 N ATOM 0 H ASN A 27 3.500 -6.827 -3.231 1.00 0.00 H new ATOM 0 HA ASN A 27 1.812 -9.202 -2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.909 -6.653 -1.085 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.703 -7.915 -0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.241 -10.357 0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.046 -10.258 -1.021 1.00 0.00 H new ATOM 436 N TRP A 28 -0.252 -7.975 -3.635 1.00 0.00 N ATOM 437 CA TRP A 28 -1.309 -7.392 -4.455 1.00 0.00 C ATOM 438 C TRP A 28 -2.183 -6.455 -3.630 1.00 0.00 C ATOM 439 O TRP A 28 -2.671 -6.825 -2.562 1.00 0.00 O ATOM 440 CB TRP A 28 -2.167 -8.496 -5.076 1.00 0.00 C ATOM 441 CG TRP A 28 -3.159 -7.984 -6.076 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.518 -8.114 -6.023 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.870 -7.262 -7.278 1.00 0.00 C ATOM 444 NE1 TRP A 28 -5.091 -7.517 -7.120 1.00 0.00 N ATOM 445 CE2 TRP A 28 -4.101 -6.986 -7.905 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.691 -6.821 -7.885 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.184 -6.291 -9.108 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.775 -6.131 -9.080 1.00 0.00 C ATOM 449 CH2 TRP A 28 -3.014 -5.870 -9.681 1.00 0.00 C ATOM 0 H TRP A 28 -0.518 -8.833 -3.151 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.841 -6.814 -5.252 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.516 -9.224 -5.560 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.699 -9.022 -4.283 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.062 -8.613 -5.235 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.091 -7.476 -7.318 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.732 -7.016 -7.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.138 -6.091 -9.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.870 -5.787 -9.559 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.046 -5.327 -10.614 1.00 0.00 H new ATOM 460 N PHE A 29 -2.377 -5.239 -4.131 1.00 0.00 N ATOM 461 CA PHE A 29 -3.193 -4.248 -3.439 1.00 0.00 C ATOM 462 C PHE A 29 -4.422 -3.882 -4.266 1.00 0.00 C ATOM 463 O PHE A 29 -4.382 -3.895 -5.496 1.00 0.00 O ATOM 464 CB PHE A 29 -2.368 -2.993 -3.147 1.00 0.00 C ATOM 465 CG PHE A 29 -1.410 -3.158 -2.002 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.150 -3.696 -2.209 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.769 -2.776 -0.720 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.735 -3.849 -1.158 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.889 -2.926 0.335 1.00 0.00 C ATOM 470 CZ PHE A 29 0.364 -3.464 0.116 1.00 0.00 C ATOM 0 H PHE A 29 -1.980 -4.916 -5.014 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.528 -4.682 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.809 -2.719 -4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.044 -2.166 -2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.144 -3.999 -3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.748 -2.356 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.715 -4.269 -1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.181 -2.623 1.330 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.053 -3.584 0.939 1.00 0.00 H new ATOM 480 N ASP A 30 -5.512 -3.557 -3.581 1.00 0.00 N ATOM 481 CA ASP A 30 -6.754 -3.187 -4.251 1.00 0.00 C ATOM 482 C ASP A 30 -7.622 -2.318 -3.345 1.00 0.00 C ATOM 483 O ASP A 30 -8.126 -2.781 -2.321 1.00 0.00 O ATOM 484 CB ASP A 30 -7.526 -4.439 -4.669 1.00 0.00 C ATOM 485 CG ASP A 30 -6.790 -5.249 -5.718 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.805 -5.929 -5.361 1.00 0.00 O ATOM 487 OD2 ASP A 30 -7.199 -5.204 -6.897 1.00 0.00 O ATOM 0 H ASP A 30 -5.562 -3.542 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.500 -2.612 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.705 -5.062 -3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.502 -4.148 -5.057 1.00 0.00 H new ATOM 492 N LEU A 31 -7.791 -1.058 -3.729 1.00 0.00 N ATOM 493 CA LEU A 31 -8.598 -0.123 -2.951 1.00 0.00 C ATOM 494 C LEU A 31 -10.062 -0.186 -3.373 1.00 0.00 C ATOM 495 O LEU A 31 -10.372 -0.347 -4.553 1.00 0.00 O ATOM 496 CB LEU A 31 -8.067 1.302 -3.120 1.00 0.00 C ATOM 497 CG LEU A 31 -8.568 2.329 -2.105 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.731 2.278 -0.836 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.545 3.727 -2.705 1.00 0.00 C ATOM 0 H LEU A 31 -7.381 -0.660 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.529 -0.408 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.979 1.271 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.329 1.650 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.598 2.083 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.103 3.016 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.799 1.283 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.691 2.498 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.905 4.445 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.525 3.983 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.188 3.756 -3.584 1.00 0.00 H new ATOM 511 N TRP A 32 -10.958 -0.056 -2.401 1.00 0.00 N ATOM 512 CA TRP A 32 -12.390 -0.096 -2.671 1.00 0.00 C ATOM 513 C TRP A 32 -12.957 1.312 -2.814 1.00 0.00 C ATOM 514 O TRP A 32 -12.251 2.299 -2.607 1.00 0.00 O ATOM 515 CB TRP A 32 -13.121 -0.842 -1.554 1.00 0.00 C ATOM 516 CG TRP A 32 -12.811 -2.308 -1.517 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.582 -2.890 -1.647 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.747 -3.377 -1.340 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.698 -4.256 -1.562 1.00 0.00 N ATOM 520 CE2 TRP A 32 -13.015 -4.581 -1.373 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.131 -3.436 -1.155 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.623 -5.825 -1.229 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.732 -4.671 -1.013 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.979 -5.852 -1.049 1.00 0.00 C ATOM 0 H TRP A 32 -10.718 0.078 -1.419 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.541 -0.626 -3.611 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.855 -0.397 -0.595 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.195 -0.708 -1.680 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.656 -2.355 -1.795 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.928 -4.921 -1.629 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.720 -2.531 -1.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.045 -6.737 -1.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.801 -4.728 -0.872 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.479 -6.802 -0.932 1.00 0.00 H new ATOM 535 N SER A 33 -14.235 1.398 -3.169 1.00 0.00 N ATOM 536 CA SER A 33 -14.895 2.687 -3.343 1.00 0.00 C ATOM 537 C SER A 33 -15.246 3.304 -1.992 1.00 0.00 C ATOM 538 O SER A 33 -15.282 4.526 -1.846 1.00 0.00 O ATOM 539 CB SER A 33 -16.161 2.526 -4.186 1.00 0.00 C ATOM 540 OG SER A 33 -16.789 3.777 -4.408 1.00 0.00 O ATOM 0 H SER A 33 -14.834 0.591 -3.342 1.00 0.00 H new ATOM 0 HA SER A 33 -14.205 3.354 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.909 2.067 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.854 1.852 -3.682 1.00 0.00 H new ATOM 0 HG SER A 33 -17.595 3.647 -4.950 1.00 0.00 H new ATOM 546 N ASP A 34 -15.503 2.450 -1.008 1.00 0.00 N ATOM 547 CA ASP A 34 -15.850 2.910 0.332 1.00 0.00 C ATOM 548 C ASP A 34 -14.604 3.342 1.098 1.00 0.00 C ATOM 549 O ASP A 34 -14.696 3.884 2.199 1.00 0.00 O ATOM 550 CB ASP A 34 -16.579 1.806 1.100 1.00 0.00 C ATOM 551 CG ASP A 34 -16.067 0.423 0.752 1.00 0.00 C ATOM 552 OD1 ASP A 34 -14.867 0.298 0.428 1.00 0.00 O ATOM 553 OD2 ASP A 34 -16.865 -0.536 0.804 1.00 0.00 O ATOM 0 H ASP A 34 -15.478 1.436 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.511 3.771 0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.462 1.975 2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.646 1.860 0.883 1.00 0.00 H new ATOM 558 N GLY A 35 -13.438 3.097 0.508 1.00 0.00 N ATOM 559 CA GLY A 35 -12.189 3.465 1.150 1.00 0.00 C ATOM 560 C GLY A 35 -11.419 2.261 1.655 1.00 0.00 C ATOM 561 O GLY A 35 -10.191 2.290 1.734 1.00 0.00 O ATOM 0 H GLY A 35 -13.336 2.650 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.570 4.018 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.397 4.135 1.984 1.00 0.00 H new ATOM 565 N HIS A 36 -12.142 1.201 2.000 1.00 0.00 N ATOM 566 CA HIS A 36 -11.519 -0.019 2.501 1.00 0.00 C ATOM 567 C HIS A 36 -10.469 -0.535 1.522 1.00 0.00 C ATOM 568 O HIS A 36 -10.697 -0.569 0.312 1.00 0.00 O ATOM 569 CB HIS A 36 -12.578 -1.095 2.746 1.00 0.00 C ATOM 570 CG HIS A 36 -13.145 -1.072 4.132 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.340 -0.459 4.445 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.676 -1.593 5.289 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.580 -0.603 5.736 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.586 -1.288 6.272 1.00 0.00 N ATOM 0 H HIS A 36 -13.160 1.162 1.942 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.026 0.216 3.444 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.388 -0.966 2.029 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.139 -2.075 2.558 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.757 -2.146 5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.443 -0.225 6.264 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.507 -1.548 7.255 1.00 0.00 H new ATOM 583 N LEU A 37 -9.319 -0.935 2.052 1.00 0.00 N ATOM 584 CA LEU A 37 -8.233 -1.449 1.224 1.00 0.00 C ATOM 585 C LEU A 37 -7.929 -2.904 1.566 1.00 0.00 C ATOM 586 O LEU A 37 -7.768 -3.257 2.735 1.00 0.00 O ATOM 587 CB LEU A 37 -6.976 -0.597 1.411 1.00 0.00 C ATOM 588 CG LEU A 37 -5.690 -1.155 0.800 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.710 -1.007 -0.713 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.473 -0.458 1.390 1.00 0.00 C ATOM 0 H LEU A 37 -9.114 -0.914 3.051 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.548 -1.398 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.161 0.387 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.814 -0.453 2.479 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.627 -2.216 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.787 -1.409 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.561 -1.553 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.797 0.048 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.567 -0.868 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.529 0.610 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.450 -0.617 2.468 1.00 0.00 H new ATOM 602 N ILE A 38 -7.851 -3.744 0.539 1.00 0.00 N ATOM 603 CA ILE A 38 -7.564 -5.160 0.731 1.00 0.00 C ATOM 604 C ILE A 38 -6.461 -5.630 -0.212 1.00 0.00 C ATOM 605 O ILE A 38 -6.461 -5.300 -1.398 1.00 0.00 O ATOM 606 CB ILE A 38 -8.819 -6.024 0.506 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.983 -5.501 1.350 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.526 -7.479 0.841 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.321 -6.091 0.964 1.00 0.00 C ATOM 0 H ILE A 38 -7.983 -3.468 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.232 -5.278 1.762 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.101 -5.963 -0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.787 -5.720 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.032 -4.416 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.422 -8.078 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.723 -7.845 0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.223 -7.558 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.100 -5.676 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.539 -5.850 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.290 -7.174 1.087 1.00 0.00 H new ATOM 621 N TYR A 39 -5.523 -6.403 0.324 1.00 0.00 N ATOM 622 CA TYR A 39 -4.413 -6.918 -0.469 1.00 0.00 C ATOM 623 C TYR A 39 -4.328 -8.438 -0.365 1.00 0.00 C ATOM 624 O TYR A 39 -4.680 -9.022 0.660 1.00 0.00 O ATOM 625 CB TYR A 39 -3.096 -6.290 -0.011 1.00 0.00 C ATOM 626 CG TYR A 39 -3.035 -6.032 1.478 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.894 -5.121 2.081 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.118 -6.699 2.281 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.840 -4.882 3.440 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.058 -6.466 3.642 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.921 -5.557 4.216 1.00 0.00 C ATOM 632 OH TYR A 39 -2.866 -5.322 5.571 1.00 0.00 O ATOM 0 H TYR A 39 -5.509 -6.687 1.304 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.591 -6.652 -1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.273 -6.947 -0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.948 -5.349 -0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.616 -4.591 1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.441 -7.412 1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.514 -4.170 3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.339 -6.993 4.252 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.676 -4.849 5.854 1.00 0.00 H new ATOM 642 N TYR A 40 -3.859 -9.072 -1.433 1.00 0.00 N ATOM 643 CA TYR A 40 -3.728 -10.524 -1.464 1.00 0.00 C ATOM 644 C TYR A 40 -2.271 -10.937 -1.643 1.00 0.00 C ATOM 645 O TYR A 40 -1.425 -10.124 -2.016 1.00 0.00 O ATOM 646 CB TYR A 40 -4.578 -11.109 -2.594 1.00 0.00 C ATOM 647 CG TYR A 40 -6.005 -10.610 -2.599 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.291 -9.266 -2.800 1.00 0.00 C ATOM 649 CD2 TYR A 40 -7.068 -11.484 -2.404 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.594 -8.806 -2.804 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.374 -11.033 -2.409 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.631 -9.693 -2.609 1.00 0.00 C ATOM 653 OH TYR A 40 -9.930 -9.239 -2.614 1.00 0.00 O ATOM 0 H TYR A 40 -3.563 -8.604 -2.289 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.082 -10.915 -0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.114 -10.866 -3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.582 -12.196 -2.509 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.481 -8.568 -2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.870 -12.534 -2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.799 -7.757 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.189 -11.726 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.540 -9.991 -2.464 1.00 0.00 H new ATOM 663 N ASP A 41 -1.985 -12.206 -1.374 1.00 0.00 N ATOM 664 CA ASP A 41 -0.630 -12.729 -1.506 1.00 0.00 C ATOM 665 C ASP A 41 -0.187 -12.727 -2.966 1.00 0.00 C ATOM 666 O ASP A 41 0.964 -12.416 -3.275 1.00 0.00 O ATOM 667 CB ASP A 41 -0.550 -14.147 -0.937 1.00 0.00 C ATOM 668 CG ASP A 41 0.871 -14.560 -0.611 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.633 -13.713 -0.098 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.222 -15.731 -0.866 1.00 0.00 O ATOM 0 H ASP A 41 -2.673 -12.892 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 41 0.040 -12.081 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.159 -14.208 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.973 -14.848 -1.656 1.00 0.00 H new ATOM 675 N ASP A 42 -1.106 -13.078 -3.858 1.00 0.00 N ATOM 676 CA ASP A 42 -0.810 -13.117 -5.285 1.00 0.00 C ATOM 677 C ASP A 42 -2.020 -12.675 -6.103 1.00 0.00 C ATOM 678 O ASP A 42 -3.057 -12.312 -5.548 1.00 0.00 O ATOM 679 CB ASP A 42 -0.385 -14.526 -5.702 1.00 0.00 C ATOM 680 CG ASP A 42 -1.144 -15.604 -4.954 1.00 0.00 C ATOM 681 OD1 ASP A 42 -2.207 -15.291 -4.379 1.00 0.00 O ATOM 682 OD2 ASP A 42 -0.674 -16.761 -4.942 1.00 0.00 O ATOM 0 H ASP A 42 -2.062 -13.340 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 42 0.010 -12.426 -5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.546 -14.649 -6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.683 -14.648 -5.524 1.00 0.00 H new ATOM 687 N GLN A 43 -1.878 -12.707 -7.424 1.00 0.00 N ATOM 688 CA GLN A 43 -2.959 -12.307 -8.318 1.00 0.00 C ATOM 689 C GLN A 43 -4.152 -13.248 -8.184 1.00 0.00 C ATOM 690 O GLN A 43 -5.297 -12.852 -8.401 1.00 0.00 O ATOM 691 CB GLN A 43 -2.470 -12.287 -9.767 1.00 0.00 C ATOM 692 CG GLN A 43 -3.532 -11.847 -10.762 1.00 0.00 C ATOM 693 CD GLN A 43 -3.312 -12.426 -12.145 1.00 0.00 C ATOM 694 OE1 GLN A 43 -3.175 -11.692 -13.124 1.00 0.00 O ATOM 695 NE2 GLN A 43 -3.278 -13.751 -12.234 1.00 0.00 N ATOM 0 H GLN A 43 -1.026 -13.005 -7.899 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.278 -11.303 -8.036 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.613 -11.618 -9.843 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.121 -13.284 -10.038 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.514 -12.150 -10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.537 -10.759 -10.825 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.396 -14.322 -11.397 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.134 -14.198 -13.140 1.00 0.00 H new ATOM 704 N THR A 44 -3.876 -14.499 -7.826 1.00 0.00 N ATOM 705 CA THR A 44 -4.925 -15.497 -7.665 1.00 0.00 C ATOM 706 C THR A 44 -5.947 -15.057 -6.623 1.00 0.00 C ATOM 707 O THR A 44 -7.032 -15.631 -6.523 1.00 0.00 O ATOM 708 CB THR A 44 -4.343 -16.862 -7.253 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.475 -16.704 -6.125 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.576 -17.494 -8.405 1.00 0.00 C ATOM 0 H THR A 44 -2.934 -14.844 -7.642 1.00 0.00 H new ATOM 0 HA THR A 44 -5.417 -15.598 -8.632 1.00 0.00 H new ATOM 0 HB THR A 44 -5.171 -17.519 -6.985 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.561 -15.794 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.174 -18.457 -8.090 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.247 -17.640 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.757 -16.838 -8.700 1.00 0.00 H new ATOM 718 N ARG A 45 -5.595 -14.035 -5.850 1.00 0.00 N ATOM 719 CA ARG A 45 -6.482 -13.519 -4.815 1.00 0.00 C ATOM 720 C ARG A 45 -7.144 -14.659 -4.048 1.00 0.00 C ATOM 721 O ARG A 45 -8.333 -14.600 -3.733 1.00 0.00 O ATOM 722 CB ARG A 45 -7.552 -12.617 -5.434 1.00 0.00 C ATOM 723 CG ARG A 45 -7.016 -11.280 -5.919 1.00 0.00 C ATOM 724 CD ARG A 45 -8.123 -10.243 -6.028 1.00 0.00 C ATOM 725 NE ARG A 45 -7.842 -9.249 -7.059 1.00 0.00 N ATOM 726 CZ ARG A 45 -7.967 -9.484 -8.361 1.00 0.00 C ATOM 727 NH1 ARG A 45 -8.368 -10.674 -8.787 1.00 0.00 N ATOM 728 NH2 ARG A 45 -7.692 -8.528 -9.239 1.00 0.00 N ATOM 0 H ARG A 45 -4.702 -13.548 -5.921 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.883 -12.934 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.015 -13.139 -6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.336 -12.439 -4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.248 -10.924 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.539 -11.409 -6.891 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.066 -10.742 -6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.248 -9.743 -5.067 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.533 -8.323 -6.764 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.581 -11.411 -8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.463 -10.852 -9.787 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.384 -7.611 -8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.788 -8.710 -10.238 1.00 0.00 H new ATOM 742 N GLN A 46 -6.367 -15.696 -3.752 1.00 0.00 N ATOM 743 CA GLN A 46 -6.879 -16.850 -3.023 1.00 0.00 C ATOM 744 C GLN A 46 -6.467 -16.794 -1.555 1.00 0.00 C ATOM 745 O GLN A 46 -6.988 -17.539 -0.725 1.00 0.00 O ATOM 746 CB GLN A 46 -6.373 -18.147 -3.658 1.00 0.00 C ATOM 747 CG GLN A 46 -7.120 -18.537 -4.923 1.00 0.00 C ATOM 748 CD GLN A 46 -7.099 -20.031 -5.175 1.00 0.00 C ATOM 749 OE1 GLN A 46 -6.383 -20.776 -4.505 1.00 0.00 O ATOM 750 NE2 GLN A 46 -7.887 -20.479 -6.146 1.00 0.00 N ATOM 0 H GLN A 46 -5.381 -15.761 -4.006 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.967 -16.828 -3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.314 -18.039 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.459 -18.955 -2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.154 -18.199 -4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.677 -18.022 -5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.464 -19.826 -6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.915 -21.476 -6.361 1.00 0.00 H new ATOM 759 N SER A 47 -5.528 -15.906 -1.243 1.00 0.00 N ATOM 760 CA SER A 47 -5.043 -15.756 0.124 1.00 0.00 C ATOM 761 C SER A 47 -5.079 -14.293 0.555 1.00 0.00 C ATOM 762 O SER A 47 -4.110 -13.556 0.370 1.00 0.00 O ATOM 763 CB SER A 47 -3.618 -16.300 0.244 1.00 0.00 C ATOM 764 OG SER A 47 -3.363 -16.777 1.554 1.00 0.00 O ATOM 0 H SER A 47 -5.088 -15.280 -1.918 1.00 0.00 H new ATOM 0 HA SER A 47 -5.699 -16.327 0.781 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.471 -17.106 -0.475 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.904 -15.516 -0.006 1.00 0.00 H new ATOM 0 HG SER A 47 -2.447 -17.121 1.604 1.00 0.00 H new ATOM 770 N ILE A 48 -6.203 -13.880 1.131 1.00 0.00 N ATOM 771 CA ILE A 48 -6.366 -12.506 1.590 1.00 0.00 C ATOM 772 C ILE A 48 -5.358 -12.169 2.683 1.00 0.00 C ATOM 773 O ILE A 48 -5.569 -12.486 3.854 1.00 0.00 O ATOM 774 CB ILE A 48 -7.789 -12.256 2.124 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.810 -12.373 0.991 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.874 -10.887 2.782 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.233 -12.542 1.475 1.00 0.00 C ATOM 0 H ILE A 48 -7.014 -14.477 1.291 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.192 -11.862 0.728 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.019 -13.013 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.751 -11.482 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.546 -13.222 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.885 -10.725 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.169 -10.838 3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.628 -10.116 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.902 -12.618 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.308 -13.448 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.516 -11.681 2.081 1.00 0.00 H new ATOM 789 N GLU A 49 -4.264 -11.523 2.293 1.00 0.00 N ATOM 790 CA GLU A 49 -3.224 -11.141 3.241 1.00 0.00 C ATOM 791 C GLU A 49 -3.826 -10.443 4.457 1.00 0.00 C ATOM 792 O GLU A 49 -3.816 -10.982 5.564 1.00 0.00 O ATOM 793 CB GLU A 49 -2.200 -10.225 2.568 1.00 0.00 C ATOM 794 CG GLU A 49 -1.042 -10.973 1.928 1.00 0.00 C ATOM 795 CD GLU A 49 -0.391 -11.961 2.876 1.00 0.00 C ATOM 796 OE1 GLU A 49 0.175 -11.518 3.897 1.00 0.00 O ATOM 797 OE2 GLU A 49 -0.446 -13.177 2.596 1.00 0.00 O ATOM 0 H GLU A 49 -4.075 -11.253 1.328 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.723 -12.049 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.703 -9.630 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.807 -9.528 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.400 -11.504 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.295 -10.256 1.587 1.00 0.00 H new ATOM 804 N ASP A 50 -4.347 -9.240 4.243 1.00 0.00 N ATOM 805 CA ASP A 50 -4.954 -8.467 5.320 1.00 0.00 C ATOM 806 C ASP A 50 -5.807 -7.332 4.761 1.00 0.00 C ATOM 807 O ASP A 50 -5.642 -6.925 3.611 1.00 0.00 O ATOM 808 CB ASP A 50 -3.873 -7.902 6.243 1.00 0.00 C ATOM 809 CG ASP A 50 -3.518 -8.853 7.369 1.00 0.00 C ATOM 810 OD1 ASP A 50 -4.443 -9.464 7.942 1.00 0.00 O ATOM 811 OD2 ASP A 50 -2.315 -8.985 7.677 1.00 0.00 O ATOM 0 H ASP A 50 -4.361 -8.779 3.333 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.599 -9.133 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.978 -7.685 5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.216 -6.957 6.664 1.00 0.00 H new ATOM 816 N LYS A 51 -6.721 -6.826 5.582 1.00 0.00 N ATOM 817 CA LYS A 51 -7.600 -5.738 5.171 1.00 0.00 C ATOM 818 C LYS A 51 -7.508 -4.566 6.143 1.00 0.00 C ATOM 819 O LYS A 51 -7.487 -4.756 7.360 1.00 0.00 O ATOM 820 CB LYS A 51 -9.047 -6.229 5.084 1.00 0.00 C ATOM 821 CG LYS A 51 -10.076 -5.129 5.280 1.00 0.00 C ATOM 822 CD LYS A 51 -11.448 -5.554 4.784 1.00 0.00 C ATOM 823 CE LYS A 51 -11.986 -6.735 5.578 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.471 -6.823 5.503 1.00 0.00 N ATOM 0 H LYS A 51 -6.872 -7.152 6.536 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.278 -5.397 4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.206 -6.694 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.206 -7.001 5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.135 -4.869 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.757 -4.233 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.140 -4.716 4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.388 -5.820 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.548 -7.658 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.680 -6.642 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.799 -7.640 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.890 -5.953 5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.762 -6.937 4.511 1.00 0.00 H new ATOM 838 N VAL A 52 -7.454 -3.354 5.600 1.00 0.00 N ATOM 839 CA VAL A 52 -7.366 -2.152 6.420 1.00 0.00 C ATOM 840 C VAL A 52 -8.020 -0.964 5.723 1.00 0.00 C ATOM 841 O VAL A 52 -7.873 -0.781 4.514 1.00 0.00 O ATOM 842 CB VAL A 52 -5.903 -1.801 6.746 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.798 -0.373 7.261 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.332 -2.784 7.757 1.00 0.00 C ATOM 0 H VAL A 52 -7.470 -3.179 4.595 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.896 -2.362 7.349 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.317 -1.875 5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.757 -0.143 7.486 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.166 0.316 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.397 -0.268 8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.297 -2.521 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.919 -2.744 8.675 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.371 -3.793 7.346 1.00 0.00 H new ATOM 854 N HIS A 53 -8.742 -0.157 6.494 1.00 0.00 N ATOM 855 CA HIS A 53 -9.418 1.016 5.952 1.00 0.00 C ATOM 856 C HIS A 53 -8.458 2.198 5.849 1.00 0.00 C ATOM 857 O HIS A 53 -7.359 2.166 6.403 1.00 0.00 O ATOM 858 CB HIS A 53 -10.615 1.391 6.826 1.00 0.00 C ATOM 859 CG HIS A 53 -11.772 1.945 6.052 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.986 2.252 6.629 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.893 2.251 4.739 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.805 2.719 5.705 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.166 2.729 4.549 1.00 0.00 N ATOM 0 H HIS A 53 -8.874 -0.294 7.496 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.772 0.770 4.951 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.945 0.509 7.374 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.298 2.126 7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.131 2.140 3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.824 3.038 5.867 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.555 3.041 3.659 1.00 0.00 H new ATOM 872 N MET A 54 -8.881 3.237 5.138 1.00 0.00 N ATOM 873 CA MET A 54 -8.058 4.429 4.964 1.00 0.00 C ATOM 874 C MET A 54 -8.555 5.567 5.850 1.00 0.00 C ATOM 875 O MET A 54 -7.913 5.950 6.828 1.00 0.00 O ATOM 876 CB MET A 54 -8.063 4.869 3.498 1.00 0.00 C ATOM 877 CG MET A 54 -6.880 4.342 2.702 1.00 0.00 C ATOM 878 SD MET A 54 -5.299 4.947 3.324 1.00 0.00 S ATOM 879 CE MET A 54 -5.418 6.687 2.916 1.00 0.00 C ATOM 0 H MET A 54 -9.788 3.279 4.673 1.00 0.00 H new ATOM 0 HA MET A 54 -7.038 4.182 5.258 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.986 4.530 3.028 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.064 5.958 3.454 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.884 3.252 2.731 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.991 4.634 1.658 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.604 6.960 2.244 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.373 6.882 2.427 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.350 7.280 3.828 1.00 0.00 H new ATOM 889 N PRO A 55 -9.725 6.121 5.502 1.00 0.00 N ATOM 890 CA PRO A 55 -10.334 7.223 6.253 1.00 0.00 C ATOM 891 C PRO A 55 -10.839 6.782 7.622 1.00 0.00 C ATOM 892 O PRO A 55 -11.436 7.568 8.358 1.00 0.00 O ATOM 893 CB PRO A 55 -11.504 7.654 5.365 1.00 0.00 C ATOM 894 CG PRO A 55 -11.843 6.441 4.570 1.00 0.00 C ATOM 895 CD PRO A 55 -10.545 5.715 4.348 1.00 0.00 C ATOM 0 HA PRO A 55 -9.620 8.021 6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.353 7.986 5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.225 8.486 4.718 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.556 5.812 5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.305 6.713 3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.689 4.635 4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.081 6.002 3.404 1.00 0.00 H new ATOM 903 N VAL A 56 -10.595 5.519 7.959 1.00 0.00 N ATOM 904 CA VAL A 56 -11.024 4.973 9.241 1.00 0.00 C ATOM 905 C VAL A 56 -9.839 4.423 10.028 1.00 0.00 C ATOM 906 O VAL A 56 -9.668 4.730 11.208 1.00 0.00 O ATOM 907 CB VAL A 56 -12.066 3.855 9.055 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.158 2.997 10.308 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.423 4.446 8.703 1.00 0.00 C ATOM 0 H VAL A 56 -10.102 4.855 7.362 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.478 5.793 9.798 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.747 3.218 8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.899 2.212 10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.187 2.545 10.512 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.453 3.618 11.154 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.148 3.642 8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.751 5.106 9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.343 5.014 7.776 1.00 0.00 H new ATOM 919 N ASP A 57 -9.024 3.610 9.367 1.00 0.00 N ATOM 920 CA ASP A 57 -7.853 3.017 10.003 1.00 0.00 C ATOM 921 C ASP A 57 -6.628 3.908 9.824 1.00 0.00 C ATOM 922 O ASP A 57 -5.854 4.112 10.760 1.00 0.00 O ATOM 923 CB ASP A 57 -7.579 1.629 9.423 1.00 0.00 C ATOM 924 CG ASP A 57 -8.251 0.526 10.218 1.00 0.00 C ATOM 925 OD1 ASP A 57 -8.311 0.642 11.459 1.00 0.00 O ATOM 926 OD2 ASP A 57 -8.717 -0.453 9.598 1.00 0.00 O ATOM 0 H ASP A 57 -9.152 3.346 8.390 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.058 2.922 11.069 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.929 1.594 8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.503 1.453 9.401 1.00 0.00 H new ATOM 931 N CYS A 58 -6.457 4.435 8.617 1.00 0.00 N ATOM 932 CA CYS A 58 -5.325 5.303 8.314 1.00 0.00 C ATOM 933 C CYS A 58 -5.626 6.746 8.703 1.00 0.00 C ATOM 934 O CYS A 58 -6.716 7.255 8.441 1.00 0.00 O ATOM 935 CB CYS A 58 -4.979 5.225 6.826 1.00 0.00 C ATOM 936 SG CYS A 58 -3.690 6.381 6.306 1.00 0.00 S ATOM 0 H CYS A 58 -7.088 4.276 7.832 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.470 4.960 8.897 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.658 4.210 6.591 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.880 5.417 6.244 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.833 6.538 7.271 1.00 0.00 H new ATOM 942 N ILE A 59 -4.655 7.399 9.332 1.00 0.00 N ATOM 943 CA ILE A 59 -4.817 8.783 9.759 1.00 0.00 C ATOM 944 C ILE A 59 -3.865 9.706 9.004 1.00 0.00 C ATOM 945 O ILE A 59 -4.168 10.877 8.779 1.00 0.00 O ATOM 946 CB ILE A 59 -4.574 8.939 11.271 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.409 8.052 11.717 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.836 8.596 12.049 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.878 8.397 13.090 1.00 0.00 C ATOM 0 H ILE A 59 -3.747 6.992 9.557 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.846 9.064 9.535 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.315 9.978 11.477 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.733 7.011 11.713 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.600 8.137 10.992 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.648 8.711 13.116 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.642 9.265 11.748 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.123 7.565 11.840 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.054 7.728 13.340 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.523 9.427 13.094 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.673 8.284 13.827 1.00 0.00 H new ATOM 961 N ASN A 60 -2.714 9.169 8.615 1.00 0.00 N ATOM 962 CA ASN A 60 -1.717 9.943 7.885 1.00 0.00 C ATOM 963 C ASN A 60 -1.074 9.103 6.785 1.00 0.00 C ATOM 964 O ASN A 60 -1.284 7.892 6.713 1.00 0.00 O ATOM 965 CB ASN A 60 -0.642 10.461 8.841 1.00 0.00 C ATOM 966 CG ASN A 60 0.039 11.713 8.323 1.00 0.00 C ATOM 967 OD1 ASN A 60 -0.618 12.637 7.844 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.363 11.749 8.417 1.00 0.00 N ATOM 0 H ASN A 60 -2.448 8.200 8.793 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.221 10.792 7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.093 10.671 9.811 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.105 9.683 8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.876 12.566 8.085 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.867 10.960 8.821 1.00 0.00 H new ATOM 975 N ILE A 61 -0.291 9.755 5.932 1.00 0.00 N ATOM 976 CA ILE A 61 0.384 9.068 4.838 1.00 0.00 C ATOM 977 C ILE A 61 1.797 9.605 4.640 1.00 0.00 C ATOM 978 O ILE A 61 1.986 10.724 4.162 1.00 0.00 O ATOM 979 CB ILE A 61 -0.396 9.209 3.518 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.809 8.641 3.672 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.343 8.508 2.388 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.693 8.888 2.470 1.00 0.00 C ATOM 0 H ILE A 61 -0.109 10.758 5.977 1.00 0.00 H new ATOM 0 HA ILE A 61 0.433 8.014 5.111 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.475 10.268 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.743 7.568 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.275 9.082 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.221 8.617 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.330 8.955 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.451 7.450 2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.679 8.459 2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.789 9.961 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.249 8.423 1.590 1.00 0.00 H new ATOM 994 N ARG A 62 2.788 8.800 5.010 1.00 0.00 N ATOM 995 CA ARG A 62 4.185 9.194 4.873 1.00 0.00 C ATOM 996 C ARG A 62 4.786 8.628 3.589 1.00 0.00 C ATOM 997 O ARG A 62 4.643 7.441 3.294 1.00 0.00 O ATOM 998 CB ARG A 62 4.993 8.716 6.080 1.00 0.00 C ATOM 999 CG ARG A 62 4.602 9.396 7.382 1.00 0.00 C ATOM 1000 CD ARG A 62 5.149 8.648 8.588 1.00 0.00 C ATOM 1001 NE ARG A 62 4.588 9.144 9.841 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.021 10.238 10.458 1.00 0.00 C ATOM 1003 NH1 ARG A 62 6.015 10.946 9.940 1.00 0.00 N ATOM 1004 NH2 ARG A 62 4.459 10.626 11.596 1.00 0.00 N ATOM 0 H ARG A 62 2.649 7.871 5.407 1.00 0.00 H new ATOM 0 HA ARG A 62 4.226 10.282 4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.864 7.639 6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.052 8.893 5.891 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.978 10.419 7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.516 9.455 7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.927 7.586 8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.234 8.746 8.613 1.00 0.00 H new ATOM 0 HE ARG A 62 3.822 8.622 10.266 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.449 10.651 9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.345 11.786 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.694 10.084 11.998 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.792 11.466 12.069 1.00 0.00 H new ATOM 1018 N THR A 63 5.457 9.486 2.828 1.00 0.00 N ATOM 1019 CA THR A 63 6.078 9.073 1.576 1.00 0.00 C ATOM 1020 C THR A 63 7.384 9.823 1.335 1.00 0.00 C ATOM 1021 O THR A 63 7.538 10.970 1.752 1.00 0.00 O ATOM 1022 CB THR A 63 5.138 9.306 0.378 1.00 0.00 C ATOM 1023 OG1 THR A 63 4.903 10.708 0.206 1.00 0.00 O ATOM 1024 CG2 THR A 63 3.813 8.586 0.582 1.00 0.00 C ATOM 0 H THR A 63 5.584 10.472 3.057 1.00 0.00 H new ATOM 0 HA THR A 63 6.285 8.007 1.664 1.00 0.00 H new ATOM 0 HB THR A 63 5.617 8.906 -0.515 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.589 10.878 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.166 8.765 -0.276 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.992 7.516 0.684 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.330 8.961 1.485 1.00 0.00 H new ATOM 1032 N GLY A 64 8.322 9.167 0.660 1.00 0.00 N ATOM 1033 CA GLY A 64 9.603 9.788 0.375 1.00 0.00 C ATOM 1034 C GLY A 64 10.518 9.808 1.583 1.00 0.00 C ATOM 1035 O GLY A 64 10.794 8.767 2.180 1.00 0.00 O ATOM 0 H GLY A 64 8.218 8.216 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.091 9.251 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.440 10.809 0.030 1.00 0.00 H new ATOM 1039 N HIS A 65 10.991 10.997 1.945 1.00 0.00 N ATOM 1040 CA HIS A 65 11.883 11.149 3.090 1.00 0.00 C ATOM 1041 C HIS A 65 11.086 11.354 4.375 1.00 0.00 C ATOM 1042 O HIS A 65 11.631 11.780 5.392 1.00 0.00 O ATOM 1043 CB HIS A 65 12.832 12.327 2.871 1.00 0.00 C ATOM 1044 CG HIS A 65 13.886 12.064 1.840 1.00 0.00 C ATOM 1045 ND1 HIS A 65 13.601 11.867 0.505 1.00 0.00 N ATOM 1046 CD2 HIS A 65 15.231 11.966 1.954 1.00 0.00 C ATOM 1047 CE1 HIS A 65 14.726 11.658 -0.156 1.00 0.00 C ATOM 1048 NE2 HIS A 65 15.730 11.714 0.700 1.00 0.00 N ATOM 0 H HIS A 65 10.772 11.869 1.463 1.00 0.00 H new ATOM 0 HA HIS A 65 12.468 10.235 3.188 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.252 13.199 2.571 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.314 12.575 3.817 1.00 0.00 H new ATOM 0 HD2 HIS A 65 15.805 12.067 2.863 1.00 0.00 H new ATOM 0 HE1 HIS A 65 14.810 11.473 -1.217 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.715 11.590 0.467 1.00 0.00 H new ATOM 1057 N GLU A 66 9.794 11.047 4.319 1.00 0.00 N ATOM 1058 CA GLU A 66 8.923 11.200 5.479 1.00 0.00 C ATOM 1059 C GLU A 66 8.943 9.943 6.344 1.00 0.00 C ATOM 1060 O GLU A 66 8.925 10.021 7.573 1.00 0.00 O ATOM 1061 CB GLU A 66 7.491 11.503 5.033 1.00 0.00 C ATOM 1062 CG GLU A 66 7.348 12.827 4.302 1.00 0.00 C ATOM 1063 CD GLU A 66 5.916 13.325 4.271 1.00 0.00 C ATOM 1064 OE1 GLU A 66 5.128 12.811 3.449 1.00 0.00 O ATOM 1065 OE2 GLU A 66 5.584 14.228 5.066 1.00 0.00 O ATOM 0 H GLU A 66 9.328 10.691 3.484 1.00 0.00 H new ATOM 0 HA GLU A 66 9.295 12.035 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.144 10.700 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.841 11.509 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.978 13.574 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.712 12.715 3.281 1.00 0.00 H new ATOM 1138 N GLN A 71 13.667 1.286 5.404 1.00 0.00 N ATOM 1139 CA GLN A 71 14.713 1.444 4.400 1.00 0.00 C ATOM 1140 C GLN A 71 14.219 1.003 3.026 1.00 0.00 C ATOM 1141 O GLN A 71 13.531 -0.008 2.882 1.00 0.00 O ATOM 1142 CB GLN A 71 15.952 0.639 4.793 1.00 0.00 C ATOM 1143 CG GLN A 71 15.658 -0.821 5.097 1.00 0.00 C ATOM 1144 CD GLN A 71 16.917 -1.654 5.232 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.027 -1.122 5.268 1.00 0.00 O ATOM 1146 NE2 GLN A 71 16.752 -2.970 5.309 1.00 0.00 N ATOM 0 HA GLN A 71 14.977 2.500 4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.682 0.693 3.985 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.411 1.098 5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.082 -0.887 6.020 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.036 -1.235 4.303 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.814 -3.369 5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.563 -3.581 5.402 1.00 0.00 H new ATOM 1155 N PRO A 72 14.578 1.777 1.991 1.00 0.00 N ATOM 1156 CA PRO A 72 14.183 1.485 0.610 1.00 0.00 C ATOM 1157 C PRO A 72 14.884 0.250 0.055 1.00 0.00 C ATOM 1158 O PRO A 72 16.026 -0.053 0.400 1.00 0.00 O ATOM 1159 CB PRO A 72 14.620 2.737 -0.156 1.00 0.00 C ATOM 1160 CG PRO A 72 15.729 3.310 0.657 1.00 0.00 C ATOM 1161 CD PRO A 72 15.398 2.996 2.090 1.00 0.00 C ATOM 0 HA PRO A 72 13.118 1.268 0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.955 2.488 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.798 3.445 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.687 2.874 0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.811 4.386 0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.297 2.828 2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.851 3.811 2.564 1.00 0.00 H new ATOM 1169 N PRO A 73 14.186 -0.482 -0.826 1.00 0.00 N ATOM 1170 CA PRO A 73 14.723 -1.696 -1.448 1.00 0.00 C ATOM 1171 C PRO A 73 15.843 -1.393 -2.438 1.00 0.00 C ATOM 1172 O PRO A 73 15.706 -0.522 -3.297 1.00 0.00 O ATOM 1173 CB PRO A 73 13.512 -2.287 -2.175 1.00 0.00 C ATOM 1174 CG PRO A 73 12.623 -1.121 -2.440 1.00 0.00 C ATOM 1175 CD PRO A 73 12.819 -0.179 -1.284 1.00 0.00 C ATOM 0 HA PRO A 73 15.167 -2.368 -0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.808 -2.778 -3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.010 -3.037 -1.563 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.881 -0.640 -3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.582 -1.434 -2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.720 0.862 -1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.084 -0.350 -0.497 1.00 0.00 H new ATOM 1183 N ASP A 74 16.949 -2.118 -2.311 1.00 0.00 N ATOM 1184 CA ASP A 74 18.093 -1.928 -3.196 1.00 0.00 C ATOM 1185 C ASP A 74 17.641 -1.785 -4.646 1.00 0.00 C ATOM 1186 O ASP A 74 16.867 -2.599 -5.149 1.00 0.00 O ATOM 1187 CB ASP A 74 19.066 -3.101 -3.065 1.00 0.00 C ATOM 1188 CG ASP A 74 20.427 -2.793 -3.658 1.00 0.00 C ATOM 1189 OD1 ASP A 74 20.526 -1.830 -4.447 1.00 0.00 O ATOM 1190 OD2 ASP A 74 21.393 -3.515 -3.333 1.00 0.00 O ATOM 0 H ASP A 74 17.078 -2.842 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 74 18.601 -1.010 -2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.181 -3.358 -2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.646 -3.975 -3.562 1.00 0.00 H new ATOM 1195 N GLY A 75 18.128 -0.743 -5.313 1.00 0.00 N ATOM 1196 CA GLY A 75 17.762 -0.511 -6.698 1.00 0.00 C ATOM 1197 C GLY A 75 16.499 0.317 -6.833 1.00 0.00 C ATOM 1198 O GLY A 75 15.840 0.293 -7.873 1.00 0.00 O ATOM 0 H GLY A 75 18.770 -0.055 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.582 -0.004 -7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.620 -1.469 -7.198 1.00 0.00 H new ATOM 1202 N LYS A 76 16.160 1.051 -5.779 1.00 0.00 N ATOM 1203 CA LYS A 76 14.967 1.890 -5.783 1.00 0.00 C ATOM 1204 C LYS A 76 15.188 3.152 -4.955 1.00 0.00 C ATOM 1205 O LYS A 76 15.794 3.123 -3.884 1.00 0.00 O ATOM 1206 CB LYS A 76 13.769 1.112 -5.237 1.00 0.00 C ATOM 1207 CG LYS A 76 13.413 -0.114 -6.060 1.00 0.00 C ATOM 1208 CD LYS A 76 12.423 0.222 -7.163 1.00 0.00 C ATOM 1209 CE LYS A 76 11.629 -1.002 -7.591 1.00 0.00 C ATOM 1210 NZ LYS A 76 10.657 -1.426 -6.545 1.00 0.00 N ATOM 0 H LYS A 76 16.694 1.082 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 76 14.762 2.183 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.983 0.803 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.905 1.775 -5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.318 -0.534 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.989 -0.879 -5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.740 0.997 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.957 0.629 -8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.095 -0.783 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.314 -1.823 -7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.011 -2.139 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.171 -1.834 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.109 -0.602 -6.225 1.00 0.00 H new ATOM 1224 N PRO A 77 14.684 4.288 -5.460 1.00 0.00 N ATOM 1225 CA PRO A 77 14.811 5.581 -4.781 1.00 0.00 C ATOM 1226 C PRO A 77 13.969 5.656 -3.513 1.00 0.00 C ATOM 1227 O PRO A 77 13.511 4.635 -2.999 1.00 0.00 O ATOM 1228 CB PRO A 77 14.300 6.580 -5.823 1.00 0.00 C ATOM 1229 CG PRO A 77 13.381 5.789 -6.688 1.00 0.00 C ATOM 1230 CD PRO A 77 13.950 4.397 -6.732 1.00 0.00 C ATOM 0 HA PRO A 77 15.833 5.771 -4.454 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.780 7.413 -5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.121 7.004 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.370 5.785 -6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.321 6.218 -7.688 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.165 3.644 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.609 4.259 -7.589 1.00 0.00 H new ATOM 1238 N ARG A 78 13.766 6.871 -3.013 1.00 0.00 N ATOM 1239 CA ARG A 78 12.979 7.078 -1.804 1.00 0.00 C ATOM 1240 C ARG A 78 11.584 7.594 -2.145 1.00 0.00 C ATOM 1241 O ARG A 78 10.591 7.165 -1.557 1.00 0.00 O ATOM 1242 CB ARG A 78 13.686 8.064 -0.872 1.00 0.00 C ATOM 1243 CG ARG A 78 14.630 7.398 0.116 1.00 0.00 C ATOM 1244 CD ARG A 78 15.277 8.417 1.041 1.00 0.00 C ATOM 1245 NE ARG A 78 16.532 7.925 1.604 1.00 0.00 N ATOM 1246 CZ ARG A 78 17.698 7.992 0.971 1.00 0.00 C ATOM 1247 NH1 ARG A 78 17.768 8.527 -0.240 1.00 0.00 N ATOM 1248 NH2 ARG A 78 18.796 7.523 1.549 1.00 0.00 N ATOM 0 H ARG A 78 14.136 7.727 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 78 12.879 6.118 -1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.248 8.780 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.936 8.630 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.082 6.665 0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.404 6.855 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.463 9.339 0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.588 8.662 1.849 1.00 0.00 H new ATOM 0 HE ARG A 78 16.512 7.507 2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.926 8.888 -0.687 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.664 8.577 -0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.746 7.110 2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.691 7.575 1.062 1.00 0.00 H new ATOM 1262 N ASP A 79 11.518 8.518 -3.097 1.00 0.00 N ATOM 1263 CA ASP A 79 10.246 9.094 -3.517 1.00 0.00 C ATOM 1264 C ASP A 79 9.253 7.999 -3.895 1.00 0.00 C ATOM 1265 O ASP A 79 8.047 8.238 -3.964 1.00 0.00 O ATOM 1266 CB ASP A 79 10.455 10.040 -4.700 1.00 0.00 C ATOM 1267 CG ASP A 79 11.294 11.248 -4.334 1.00 0.00 C ATOM 1268 OD1 ASP A 79 10.956 11.927 -3.341 1.00 0.00 O ATOM 1269 OD2 ASP A 79 12.290 11.515 -5.039 1.00 0.00 O ATOM 0 H ASP A 79 12.331 8.884 -3.593 1.00 0.00 H new ATOM 0 HA ASP A 79 9.837 9.658 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.938 9.499 -5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.486 10.373 -5.071 1.00 0.00 H new ATOM 1274 N CYS A 80 9.768 6.799 -4.140 1.00 0.00 N ATOM 1275 CA CYS A 80 8.927 5.668 -4.513 1.00 0.00 C ATOM 1276 C CYS A 80 8.496 4.880 -3.280 1.00 0.00 C ATOM 1277 O CYS A 80 8.027 3.746 -3.386 1.00 0.00 O ATOM 1278 CB CYS A 80 9.671 4.750 -5.484 1.00 0.00 C ATOM 1279 SG CYS A 80 10.888 3.671 -4.695 1.00 0.00 S ATOM 0 H CYS A 80 10.764 6.585 -4.087 1.00 0.00 H new ATOM 0 HA CYS A 80 8.035 6.058 -5.003 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.944 4.134 -6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.175 5.362 -6.232 1.00 0.00 H new ATOM 0 HG CYS A 80 10.299 2.596 -4.263 1.00 0.00 H new ATOM 1285 N LEU A 81 8.660 5.488 -2.110 1.00 0.00 N ATOM 1286 CA LEU A 81 8.289 4.843 -0.855 1.00 0.00 C ATOM 1287 C LEU A 81 6.928 5.333 -0.372 1.00 0.00 C ATOM 1288 O LEU A 81 6.669 6.536 -0.329 1.00 0.00 O ATOM 1289 CB LEU A 81 9.350 5.115 0.213 1.00 0.00 C ATOM 1290 CG LEU A 81 10.656 4.331 0.077 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.647 4.753 1.151 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.391 2.835 0.152 1.00 0.00 C ATOM 0 H LEU A 81 9.047 6.426 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 81 8.226 3.769 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.585 6.179 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.918 4.896 1.190 1.00 0.00 H new ATOM 0 HG LEU A 81 11.091 4.554 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.570 4.184 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.862 5.817 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.220 4.561 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.332 2.293 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.933 2.594 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.718 2.544 -0.655 1.00 0.00 H new ATOM 1304 N LEU A 82 6.062 4.393 -0.008 1.00 0.00 N ATOM 1305 CA LEU A 82 4.727 4.729 0.475 1.00 0.00 C ATOM 1306 C LEU A 82 4.453 4.067 1.821 1.00 0.00 C ATOM 1307 O LEU A 82 4.664 2.866 1.988 1.00 0.00 O ATOM 1308 CB LEU A 82 3.671 4.296 -0.544 1.00 0.00 C ATOM 1309 CG LEU A 82 2.255 4.820 -0.306 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.060 6.162 -0.993 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.224 3.813 -0.797 1.00 0.00 C ATOM 0 H LEU A 82 6.260 3.393 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 82 4.675 5.810 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.995 4.619 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.636 3.207 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 82 2.116 4.960 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.046 6.519 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.775 6.882 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.219 6.048 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.222 4.203 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.363 3.641 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.348 2.873 -0.259 1.00 0.00 H new ATOM 1323 N GLN A 83 3.979 4.859 2.778 1.00 0.00 N ATOM 1324 CA GLN A 83 3.674 4.348 4.110 1.00 0.00 C ATOM 1325 C GLN A 83 2.291 4.803 4.564 1.00 0.00 C ATOM 1326 O GLN A 83 1.816 5.867 4.166 1.00 0.00 O ATOM 1327 CB GLN A 83 4.731 4.814 5.112 1.00 0.00 C ATOM 1328 CG GLN A 83 4.951 3.843 6.261 1.00 0.00 C ATOM 1329 CD GLN A 83 6.100 4.253 7.161 1.00 0.00 C ATOM 1330 OE1 GLN A 83 5.940 5.094 8.046 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.267 3.660 6.939 1.00 0.00 N ATOM 0 H GLN A 83 3.798 5.855 2.656 1.00 0.00 H new ATOM 0 HA GLN A 83 3.681 3.259 4.064 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.675 4.964 4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.434 5.782 5.517 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.038 3.774 6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.147 2.849 5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.354 2.968 6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.076 3.896 7.513 1.00 0.00 H new ATOM 1340 N ILE A 84 1.650 3.991 5.397 1.00 0.00 N ATOM 1341 CA ILE A 84 0.322 4.311 5.905 1.00 0.00 C ATOM 1342 C ILE A 84 0.293 4.275 7.429 1.00 0.00 C ATOM 1343 O ILE A 84 0.517 3.231 8.041 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.739 3.336 5.360 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.538 3.116 3.859 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.138 3.866 5.640 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.955 4.299 3.013 1.00 0.00 C ATOM 0 H ILE A 84 2.029 3.106 5.735 1.00 0.00 H new ATOM 0 HA ILE A 84 0.088 5.319 5.563 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.626 2.378 5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.513 2.897 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.107 2.240 3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.877 3.167 5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.277 3.977 6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.264 4.835 5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.784 4.072 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.013 4.506 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.368 5.173 3.295 1.00 0.00 H new ATOM 1359 N VAL A 85 0.014 5.424 8.037 1.00 0.00 N ATOM 1360 CA VAL A 85 -0.048 5.525 9.490 1.00 0.00 C ATOM 1361 C VAL A 85 -1.436 5.163 10.008 1.00 0.00 C ATOM 1362 O VAL A 85 -2.430 5.792 9.640 1.00 0.00 O ATOM 1363 CB VAL A 85 0.314 6.942 9.971 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.091 7.072 11.470 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.752 7.277 9.606 1.00 0.00 C ATOM 0 H VAL A 85 -0.173 6.298 7.545 1.00 0.00 H new ATOM 0 HA VAL A 85 0.681 4.818 9.887 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.340 7.655 9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.352 8.080 11.791 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.957 6.878 11.700 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.717 6.351 11.995 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.991 8.282 9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.424 6.560 10.079 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.873 7.229 8.524 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.497 4.148 10.862 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.764 3.702 11.431 1.00 0.00 C ATOM 1377 C CYS A 86 -3.076 4.455 12.720 1.00 0.00 C ATOM 1378 O CYS A 86 -2.268 5.252 13.196 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.724 2.198 11.702 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.910 1.176 10.221 1.00 0.00 S ATOM 0 H CYS A 86 -0.684 3.618 11.176 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.552 3.913 10.708 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.778 1.952 12.184 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.516 1.945 12.407 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.750 0.705 9.870 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.254 4.198 13.278 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.675 4.854 14.511 1.00 0.00 C ATOM 1388 C ARG A 87 -3.897 4.313 15.707 1.00 0.00 C ATOM 1389 O ARG A 87 -3.104 5.029 16.319 1.00 0.00 O ATOM 1390 CB ARG A 87 -6.175 4.655 14.733 1.00 0.00 C ATOM 1391 CG ARG A 87 -7.040 5.284 13.652 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.491 5.394 14.094 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.728 6.586 14.904 1.00 0.00 N ATOM 1394 CZ ARG A 87 -9.757 6.719 15.732 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -10.640 5.738 15.860 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -9.905 7.834 16.436 1.00 0.00 N ATOM 0 H ARG A 87 -4.934 3.540 12.896 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.467 5.920 14.416 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.388 3.587 14.781 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.450 5.079 15.699 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.657 6.275 13.408 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.980 4.686 12.743 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.136 5.418 13.216 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.764 4.507 14.666 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.066 7.359 14.829 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.529 4.879 15.322 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.430 5.843 16.497 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.228 8.591 16.341 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.696 7.934 17.072 1.00 0.00 H new ATOM 1410 N ASP A 88 -4.129 3.047 16.034 1.00 0.00 N ATOM 1411 CA ASP A 88 -3.450 2.410 17.156 1.00 0.00 C ATOM 1412 C ASP A 88 -1.948 2.676 17.104 1.00 0.00 C ATOM 1413 O ASP A 88 -1.380 3.266 18.021 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.714 0.904 17.152 1.00 0.00 C ATOM 1415 CG ASP A 88 -5.076 0.553 17.718 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -5.172 0.338 18.945 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -6.047 0.495 16.935 1.00 0.00 O ATOM 0 H ASP A 88 -4.782 2.441 15.538 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.845 2.837 18.078 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.640 0.528 16.132 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.942 0.401 17.734 1.00 0.00 H new ATOM 1422 N GLY A 89 -1.311 2.233 16.024 1.00 0.00 N ATOM 1423 CA GLY A 89 0.119 2.431 15.874 1.00 0.00 C ATOM 1424 C GLY A 89 0.749 1.417 14.940 1.00 0.00 C ATOM 1425 O GLY A 89 1.894 1.008 15.137 1.00 0.00 O ATOM 0 H GLY A 89 -1.759 1.741 15.251 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.306 3.436 15.494 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.596 2.366 16.852 1.00 0.00 H new ATOM 1429 N LYS A 90 0.001 1.008 13.921 1.00 0.00 N ATOM 1430 CA LYS A 90 0.492 0.034 12.953 1.00 0.00 C ATOM 1431 C LYS A 90 0.924 0.722 11.662 1.00 0.00 C ATOM 1432 O LYS A 90 0.090 1.106 10.841 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.588 -1.007 12.653 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.069 -2.225 11.908 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.074 -3.364 11.934 1.00 0.00 C ATOM 1436 CE LYS A 90 -2.155 -3.177 10.880 1.00 0.00 C ATOM 1437 NZ LYS A 90 -3.432 -3.836 11.272 1.00 0.00 N ATOM 0 H LYS A 90 -0.948 1.336 13.744 1.00 0.00 H new ATOM 0 HA LYS A 90 1.359 -0.466 13.385 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.040 -1.330 13.591 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.377 -0.540 12.064 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.150 -1.955 10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.868 -2.555 12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.559 -4.309 11.765 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.533 -3.423 12.921 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.329 -2.112 10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.811 -3.587 9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.143 -3.686 10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.272 -4.856 11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.774 -3.427 12.165 1.00 0.00 H new ATOM 1451 N THR A 91 2.233 0.873 11.486 1.00 0.00 N ATOM 1452 CA THR A 91 2.775 1.514 10.294 1.00 0.00 C ATOM 1453 C THR A 91 3.090 0.486 9.213 1.00 0.00 C ATOM 1454 O THR A 91 3.804 -0.486 9.457 1.00 0.00 O ATOM 1455 CB THR A 91 4.054 2.310 10.617 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.836 3.144 11.760 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.472 3.166 9.431 1.00 0.00 C ATOM 0 H THR A 91 2.938 0.560 12.154 1.00 0.00 H new ATOM 0 HA THR A 91 2.011 2.200 9.928 1.00 0.00 H new ATOM 0 HB THR A 91 4.853 1.600 10.832 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.654 3.645 11.960 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.377 3.719 9.682 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.665 2.526 8.570 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.674 3.868 9.189 1.00 0.00 H new ATOM 1465 N ILE A 92 2.552 0.709 8.018 1.00 0.00 N ATOM 1466 CA ILE A 92 2.778 -0.197 6.899 1.00 0.00 C ATOM 1467 C ILE A 92 3.730 0.416 5.878 1.00 0.00 C ATOM 1468 O ILE A 92 3.447 1.468 5.304 1.00 0.00 O ATOM 1469 CB ILE A 92 1.457 -0.565 6.197 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.489 -1.211 7.190 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.722 -1.496 5.024 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -0.873 -1.505 6.601 1.00 0.00 C ATOM 0 H ILE A 92 1.957 1.509 7.800 1.00 0.00 H new ATOM 0 HA ILE A 92 3.225 -1.102 7.311 1.00 0.00 H new ATOM 0 HB ILE A 92 0.999 0.347 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.925 -2.140 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.370 -0.552 8.050 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.779 -1.747 4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.379 -1.001 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.199 -2.408 5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.507 -1.962 7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.329 -0.576 6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.765 -2.189 5.759 1.00 0.00 H new ATOM 1484 N SER A 93 4.859 -0.249 5.655 1.00 0.00 N ATOM 1485 CA SER A 93 5.854 0.231 4.704 1.00 0.00 C ATOM 1486 C SER A 93 5.673 -0.435 3.344 1.00 0.00 C ATOM 1487 O SER A 93 5.685 -1.662 3.234 1.00 0.00 O ATOM 1488 CB SER A 93 7.265 -0.036 5.232 1.00 0.00 C ATOM 1489 OG SER A 93 7.323 0.126 6.638 1.00 0.00 O ATOM 0 H SER A 93 5.107 -1.122 6.120 1.00 0.00 H new ATOM 0 HA SER A 93 5.716 1.305 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.570 -1.048 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.970 0.645 4.755 1.00 0.00 H new ATOM 0 HG SER A 93 8.235 -0.052 6.950 1.00 0.00 H new ATOM 1495 N LEU A 94 5.504 0.382 2.310 1.00 0.00 N ATOM 1496 CA LEU A 94 5.320 -0.127 0.955 1.00 0.00 C ATOM 1497 C LEU A 94 6.293 0.538 -0.013 1.00 0.00 C ATOM 1498 O LEU A 94 6.864 1.587 0.287 1.00 0.00 O ATOM 1499 CB LEU A 94 3.881 0.108 0.492 1.00 0.00 C ATOM 1500 CG LEU A 94 2.784 -0.358 1.450 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.443 0.242 1.057 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.704 -1.878 1.471 1.00 0.00 C ATOM 0 H LEU A 94 5.491 1.399 2.384 1.00 0.00 H new ATOM 0 HA LEU A 94 5.522 -1.198 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.748 1.175 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.741 -0.398 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 94 3.034 -0.013 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.674 -0.100 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.506 1.330 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.186 -0.072 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.918 -2.192 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.478 -2.244 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.659 -2.288 1.800 1.00 0.00 H new ATOM 1514 N CYS A 95 6.474 -0.077 -1.177 1.00 0.00 N ATOM 1515 CA CYS A 95 7.377 0.456 -2.191 1.00 0.00 C ATOM 1516 C CYS A 95 6.834 0.196 -3.592 1.00 0.00 C ATOM 1517 O CYS A 95 6.436 -0.922 -3.917 1.00 0.00 O ATOM 1518 CB CYS A 95 8.766 -0.167 -2.045 1.00 0.00 C ATOM 1519 SG CYS A 95 9.979 0.447 -3.237 1.00 0.00 S ATOM 0 H CYS A 95 6.008 -0.945 -1.442 1.00 0.00 H new ATOM 0 HA CYS A 95 7.453 1.533 -2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.134 0.024 -1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.681 -1.248 -2.154 1.00 0.00 H new ATOM 0 HG CYS A 95 9.415 0.580 -4.401 1.00 0.00 H new ATOM 1525 N ALA A 96 6.820 1.238 -4.418 1.00 0.00 N ATOM 1526 CA ALA A 96 6.326 1.123 -5.784 1.00 0.00 C ATOM 1527 C ALA A 96 7.468 0.856 -6.760 1.00 0.00 C ATOM 1528 O ALA A 96 8.639 0.924 -6.391 1.00 0.00 O ATOM 1529 CB ALA A 96 5.574 2.384 -6.182 1.00 0.00 C ATOM 0 H ALA A 96 7.145 2.171 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 96 5.641 0.276 -5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.211 2.284 -7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.729 2.531 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.243 3.242 -6.117 1.00 0.00 H new ATOM 1535 N GLU A 97 7.117 0.552 -8.005 1.00 0.00 N ATOM 1536 CA GLU A 97 8.113 0.273 -9.033 1.00 0.00 C ATOM 1537 C GLU A 97 8.876 1.540 -9.408 1.00 0.00 C ATOM 1538 O GLU A 97 10.070 1.494 -9.703 1.00 0.00 O ATOM 1539 CB GLU A 97 7.445 -0.320 -10.275 1.00 0.00 C ATOM 1540 CG GLU A 97 8.430 -0.742 -11.352 1.00 0.00 C ATOM 1541 CD GLU A 97 9.206 -1.990 -10.977 1.00 0.00 C ATOM 1542 OE1 GLU A 97 10.088 -1.898 -10.098 1.00 0.00 O ATOM 1543 OE2 GLU A 97 8.931 -3.058 -11.562 1.00 0.00 O ATOM 0 H GLU A 97 6.151 0.493 -8.326 1.00 0.00 H new ATOM 0 HA GLU A 97 8.821 -0.451 -8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.850 -1.184 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.756 0.414 -10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.891 -0.920 -12.282 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.129 0.073 -11.539 1.00 0.00 H new ATOM 1550 N SER A 98 8.177 2.671 -9.396 1.00 0.00 N ATOM 1551 CA SER A 98 8.786 3.950 -9.740 1.00 0.00 C ATOM 1552 C SER A 98 7.975 5.109 -9.168 1.00 0.00 C ATOM 1553 O SER A 98 6.805 4.950 -8.815 1.00 0.00 O ATOM 1554 CB SER A 98 8.900 4.093 -11.258 1.00 0.00 C ATOM 1555 OG SER A 98 9.525 2.958 -11.832 1.00 0.00 O ATOM 0 H SER A 98 7.188 2.727 -9.152 1.00 0.00 H new ATOM 0 HA SER A 98 9.785 3.978 -9.304 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.908 4.223 -11.690 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.472 4.988 -11.500 1.00 0.00 H new ATOM 0 HG SER A 98 10.040 2.486 -11.145 1.00 0.00 H new ATOM 1561 N THR A 99 8.604 6.277 -9.079 1.00 0.00 N ATOM 1562 CA THR A 99 7.943 7.463 -8.549 1.00 0.00 C ATOM 1563 C THR A 99 6.522 7.586 -9.086 1.00 0.00 C ATOM 1564 O THR A 99 5.591 7.893 -8.341 1.00 0.00 O ATOM 1565 CB THR A 99 8.724 8.744 -8.898 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.078 8.630 -8.446 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.073 9.964 -8.264 1.00 0.00 C ATOM 0 H THR A 99 9.571 6.427 -9.367 1.00 0.00 H new ATOM 0 HA THR A 99 7.911 7.350 -7.465 1.00 0.00 H new ATOM 0 HB THR A 99 8.712 8.867 -9.981 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.569 9.447 -8.673 1.00 0.00 H new ATOM 0 HG21 THR A 99 8.642 10.857 -8.524 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.052 10.064 -8.632 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.058 9.847 -7.180 1.00 0.00 H new ATOM 1575 N ASP A 100 6.361 7.344 -10.382 1.00 0.00 N ATOM 1576 CA ASP A 100 5.051 7.426 -11.019 1.00 0.00 C ATOM 1577 C ASP A 100 4.051 6.508 -10.324 1.00 0.00 C ATOM 1578 O ASP A 100 2.914 6.899 -10.058 1.00 0.00 O ATOM 1579 CB ASP A 100 5.156 7.058 -12.500 1.00 0.00 C ATOM 1580 CG ASP A 100 3.901 7.408 -13.274 1.00 0.00 C ATOM 1581 OD1 ASP A 100 3.248 8.414 -12.922 1.00 0.00 O ATOM 1582 OD2 ASP A 100 3.572 6.678 -14.232 1.00 0.00 O ATOM 0 H ASP A 100 7.121 7.089 -11.013 1.00 0.00 H new ATOM 0 HA ASP A 100 4.696 8.453 -10.932 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.008 7.577 -12.941 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.350 5.990 -12.593 1.00 0.00 H new ATOM 1587 N ASP A 101 4.480 5.285 -10.033 1.00 0.00 N ATOM 1588 CA ASP A 101 3.623 4.310 -9.369 1.00 0.00 C ATOM 1589 C ASP A 101 3.266 4.772 -7.959 1.00 0.00 C ATOM 1590 O ASP A 101 2.093 4.803 -7.584 1.00 0.00 O ATOM 1591 CB ASP A 101 4.312 2.946 -9.313 1.00 0.00 C ATOM 1592 CG ASP A 101 4.073 2.125 -10.565 1.00 0.00 C ATOM 1593 OD1 ASP A 101 2.904 1.782 -10.835 1.00 0.00 O ATOM 1594 OD2 ASP A 101 5.057 1.824 -11.274 1.00 0.00 O ATOM 0 H ASP A 101 5.418 4.945 -10.247 1.00 0.00 H new ATOM 0 HA ASP A 101 2.703 4.219 -9.947 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.384 3.089 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.950 2.394 -8.446 1.00 0.00 H new ATOM 1599 N CYS A 102 4.284 5.129 -7.184 1.00 0.00 N ATOM 1600 CA CYS A 102 4.078 5.587 -5.815 1.00 0.00 C ATOM 1601 C CYS A 102 3.114 6.769 -5.776 1.00 0.00 C ATOM 1602 O CYS A 102 2.161 6.781 -4.995 1.00 0.00 O ATOM 1603 CB CYS A 102 5.412 5.982 -5.181 1.00 0.00 C ATOM 1604 SG CYS A 102 5.295 6.434 -3.434 1.00 0.00 S ATOM 0 H CYS A 102 5.260 5.110 -7.480 1.00 0.00 H new ATOM 0 HA CYS A 102 3.642 4.766 -5.246 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.111 5.152 -5.284 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.831 6.822 -5.735 1.00 0.00 H new ATOM 0 HG CYS A 102 6.277 7.228 -3.125 1.00 0.00 H new ATOM 1610 N LEU A 103 3.368 7.761 -6.622 1.00 0.00 N ATOM 1611 CA LEU A 103 2.523 8.949 -6.684 1.00 0.00 C ATOM 1612 C LEU A 103 1.078 8.574 -6.997 1.00 0.00 C ATOM 1613 O LEU A 103 0.157 8.959 -6.277 1.00 0.00 O ATOM 1614 CB LEU A 103 3.051 9.919 -7.742 1.00 0.00 C ATOM 1615 CG LEU A 103 4.216 10.812 -7.313 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.839 11.493 -8.521 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.751 11.844 -6.297 1.00 0.00 C ATOM 0 H LEU A 103 4.152 7.767 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 103 2.549 9.435 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.364 9.341 -8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.228 10.558 -8.063 1.00 0.00 H new ATOM 0 HG LEU A 103 4.975 10.186 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.666 12.124 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.209 10.737 -9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.089 12.106 -9.020 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.593 12.470 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.973 12.466 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.353 11.336 -5.419 1.00 0.00 H new ATOM 1629 N ALA A 104 0.888 7.819 -8.073 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.444 7.388 -8.479 1.00 0.00 C ATOM 1631 C ALA A 104 -1.235 6.856 -7.289 1.00 0.00 C ATOM 1632 O ALA A 104 -2.403 7.199 -7.104 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.348 6.329 -9.567 1.00 0.00 C ATOM 0 H ALA A 104 1.640 7.493 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.973 8.254 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.350 6.017 -9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.171 6.742 -10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.204 5.468 -9.189 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.592 6.016 -6.485 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.237 5.436 -5.313 1.00 0.00 C ATOM 1641 C TRP A 105 -1.471 6.495 -4.241 1.00 0.00 C ATOM 1642 O TRP A 105 -2.527 6.530 -3.608 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.385 4.299 -4.747 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.699 2.964 -5.350 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.099 2.233 -6.184 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.898 2.202 -5.169 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.532 1.063 -6.531 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.758 1.020 -5.921 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.075 2.403 -4.443 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.751 0.045 -5.968 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.060 1.435 -4.491 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.893 0.268 -5.248 1.00 0.00 C ATOM 0 H TRP A 105 0.375 5.722 -6.623 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.204 5.037 -5.621 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.668 4.526 -4.914 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.533 4.246 -3.668 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.081 2.531 -6.521 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -0.150 0.343 -7.144 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.212 3.299 -3.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.624 -0.855 -6.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.975 1.581 -3.935 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.681 -0.470 -5.264 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.480 7.357 -4.041 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.578 8.419 -3.046 1.00 0.00 C ATOM 1665 C LYS A 106 -1.772 9.324 -3.332 1.00 0.00 C ATOM 1666 O LYS A 106 -2.558 9.634 -2.436 1.00 0.00 O ATOM 1667 CB LYS A 106 0.709 9.246 -3.024 1.00 0.00 C ATOM 1668 CG LYS A 106 0.578 10.556 -2.266 1.00 0.00 C ATOM 1669 CD LYS A 106 1.936 11.109 -1.868 1.00 0.00 C ATOM 1670 CE LYS A 106 1.800 12.314 -0.950 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.226 11.941 0.373 1.00 0.00 N ATOM 0 H LYS A 106 0.401 7.341 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.721 7.956 -2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.504 8.653 -2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.012 9.458 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.055 11.285 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.029 10.402 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.514 10.332 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.491 11.392 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.778 12.773 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.164 13.062 -1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.396 12.708 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.202 11.785 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.678 11.069 0.714 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.903 9.745 -4.586 1.00 0.00 N ATOM 1686 CA PHE A 107 -3.001 10.614 -4.990 1.00 0.00 C ATOM 1687 C PHE A 107 -4.348 9.981 -4.653 1.00 0.00 C ATOM 1688 O PHE A 107 -5.241 10.639 -4.118 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.923 10.906 -6.490 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.595 11.458 -6.925 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -0.879 12.309 -6.099 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -1.063 11.124 -8.160 1.00 0.00 C ATOM 1693 CE1 PHE A 107 0.342 12.818 -6.497 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.159 11.630 -8.563 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.862 12.477 -7.730 1.00 0.00 C ATOM 0 H PHE A 107 -1.262 9.498 -5.340 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.912 11.550 -4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.124 9.988 -7.042 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.707 11.615 -6.755 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.280 12.578 -5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.609 10.461 -8.815 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.889 13.482 -5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.563 11.363 -9.528 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.817 12.872 -8.042 1.00 0.00 H new ATOM 1705 N THR A 108 -4.488 8.698 -4.972 1.00 0.00 N ATOM 1706 CA THR A 108 -5.726 7.976 -4.705 1.00 0.00 C ATOM 1707 C THR A 108 -5.977 7.850 -3.207 1.00 0.00 C ATOM 1708 O THR A 108 -7.085 8.099 -2.730 1.00 0.00 O ATOM 1709 CB THR A 108 -5.700 6.568 -5.330 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.459 6.661 -6.739 1.00 0.00 O ATOM 1711 CG2 THR A 108 -7.013 5.841 -5.082 1.00 0.00 C ATOM 0 H THR A 108 -3.760 8.138 -5.415 1.00 0.00 H new ATOM 0 HA THR A 108 -6.533 8.552 -5.158 1.00 0.00 H new ATOM 0 HB THR A 108 -4.895 6.002 -4.861 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.507 6.832 -6.897 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.971 4.849 -5.533 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.179 5.745 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.832 6.407 -5.527 1.00 0.00 H new ATOM 1719 N LEU A 109 -4.943 7.462 -2.469 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.052 7.304 -1.023 1.00 0.00 C ATOM 1721 C LEU A 109 -5.382 8.634 -0.353 1.00 0.00 C ATOM 1722 O LEU A 109 -6.140 8.680 0.616 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.749 6.742 -0.452 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.337 5.359 -0.956 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.850 5.129 -0.730 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.156 4.275 -0.269 1.00 0.00 C ATOM 0 H LEU A 109 -4.020 7.251 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.863 6.605 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.945 7.443 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.840 6.699 0.633 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.533 5.311 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.575 4.139 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.279 5.886 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.629 5.197 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.849 3.297 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.992 4.322 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.214 4.428 -0.482 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.811 9.713 -0.877 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.046 11.044 -0.330 1.00 0.00 C ATOM 1740 C GLN A 110 -6.495 11.471 -0.542 1.00 0.00 C ATOM 1741 O GLN A 110 -7.037 12.264 0.228 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.103 12.059 -0.979 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.732 12.119 -0.326 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.723 12.956 0.938 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -3.379 13.995 1.013 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -1.978 12.506 1.941 1.00 0.00 N ATOM 0 H GLN A 110 -4.182 9.692 -1.680 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.849 11.009 0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.984 11.809 -2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.561 13.047 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.402 11.107 -0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.014 12.531 -1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.450 11.640 1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.934 13.027 2.817 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.116 10.941 -1.590 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.502 11.266 -1.902 1.00 0.00 C ATOM 1757 C ASP A 111 -9.452 10.240 -1.293 1.00 0.00 C ATOM 1758 O ASP A 111 -10.661 10.463 -1.220 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.705 11.330 -3.417 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.863 12.226 -3.809 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -10.110 13.223 -3.097 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.522 11.932 -4.828 1.00 0.00 O ATOM 0 H ASP A 111 -6.681 10.284 -2.238 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.725 12.242 -1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.792 11.694 -3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.882 10.325 -3.800 1.00 0.00 H new ATOM 1767 N SER A 112 -8.898 9.113 -0.857 1.00 0.00 N ATOM 1768 CA SER A 112 -9.696 8.050 -0.258 1.00 0.00 C ATOM 1769 C SER A 112 -9.915 8.307 1.230 1.00 0.00 C ATOM 1770 O SER A 112 -10.879 7.820 1.820 1.00 0.00 O ATOM 1771 CB SER A 112 -9.012 6.696 -0.458 1.00 0.00 C ATOM 1772 OG SER A 112 -8.073 6.441 0.573 1.00 0.00 O ATOM 0 H SER A 112 -7.899 8.913 -0.908 1.00 0.00 H new ATOM 0 HA SER A 112 -10.667 8.036 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 112 -9.762 5.905 -0.475 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.509 6.679 -1.425 1.00 0.00 H new ATOM 0 HG SER A 112 -7.400 7.153 0.586 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.012 9.076 1.830 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.105 9.398 3.249 1.00 0.00 C ATOM 1780 C ARG A 113 -10.106 10.525 3.486 1.00 0.00 C ATOM 1781 O ARG A 113 -10.723 10.609 4.549 1.00 0.00 O ATOM 1782 CB ARG A 113 -7.732 9.796 3.794 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.186 11.079 3.189 1.00 0.00 C ATOM 1784 CD ARG A 113 -5.784 11.381 3.696 1.00 0.00 C ATOM 1785 NE ARG A 113 -5.330 12.709 3.290 1.00 0.00 N ATOM 1786 CZ ARG A 113 -5.697 13.830 3.900 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -6.519 13.784 4.940 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -5.240 15.000 3.472 1.00 0.00 N ATOM 0 H ARG A 113 -8.208 9.487 1.356 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.453 8.510 3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -7.800 9.914 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.027 8.986 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.171 10.993 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.849 11.909 3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.768 11.309 4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.092 10.629 3.317 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.696 12.779 2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -6.871 12.886 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.799 14.646 5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.606 15.039 2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.523 15.860 3.941 1.00 0.00 H new