USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 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 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 110 GLN : amide:sc= -0.0333 K(o=-0.033,f=-2.9) USER MOD Set 2.1: A 76 LYS NZ :NH3+ 157:sc= -3.47! (180deg=-5.02!) USER MOD Set 2.2: A 80 CYS SG : rot 72:sc= -1.07 USER MOD Set 2.3: A 95 CYS SG : rot -160:sc= 0.229 USER MOD Set 3.1: A 54 MET CE :methyl -128:sc= -4.91! (180deg=-6.27!) USER MOD Set 3.2: A 58 CYS SG : rot 57:sc= -0.959 USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0311) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.0809 X(o=0.081,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.14 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0452) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.9!) 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) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.404 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -4.68! K(o=-4.7!,f=-1.8) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0177 (180deg=-0.239) USER MOD Single : A 53 HIS : no HD1:sc= -5.33! C(o=-5.3!,f=-7.2!) USER MOD Single : A 60 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.9) USER MOD Single : A 63 THR OG1 : rot 2:sc= 0.166 USER MOD Single : A 65 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.0094) USER MOD Single : A 71 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.86) USER MOD Single : A 83 GLN : amide:sc= -2.13 K(o=-2.1,f=-2.7) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.21 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 -52:sc= 1.2 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -150:sc= -1.36 USER MOD Single : A 108 THR OG1 : rot 78:sc= 0.241 USER MOD Single : A 112 SER OG : rot 164:sc= -1.1 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 -12.637 -2.392 -7.738 1.00 0.00 N ATOM 67 CA PHE A 8 -11.620 -1.694 -6.961 1.00 0.00 C ATOM 68 C PHE A 8 -11.126 -0.454 -7.701 1.00 0.00 C ATOM 69 O PHE A 8 -10.864 -0.497 -8.903 1.00 0.00 O ATOM 70 CB PHE A 8 -10.444 -2.627 -6.666 1.00 0.00 C ATOM 71 CG PHE A 8 -10.857 -3.944 -6.074 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.877 -4.008 -5.137 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.227 -5.118 -6.454 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.259 -5.218 -4.591 1.00 0.00 C ATOM 75 CE2 PHE A 8 -10.605 -6.331 -5.911 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.623 -6.382 -4.979 1.00 0.00 C ATOM 0 HA PHE A 8 -12.070 -1.379 -6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.895 -2.809 -7.590 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.758 -2.129 -5.981 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.378 -3.102 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.431 -5.085 -7.183 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -13.054 -5.254 -3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.105 -7.239 -6.215 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.921 -7.329 -4.554 1.00 0.00 H new ATOM 86 N VAL A 9 -11.003 0.652 -6.974 1.00 0.00 N ATOM 87 CA VAL A 9 -10.541 1.905 -7.559 1.00 0.00 C ATOM 88 C VAL A 9 -9.266 1.696 -8.367 1.00 0.00 C ATOM 89 O VAL A 9 -9.240 1.922 -9.578 1.00 0.00 O ATOM 90 CB VAL A 9 -10.282 2.969 -6.476 1.00 0.00 C ATOM 91 CG1 VAL A 9 -9.988 4.319 -7.113 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.468 3.064 -5.528 1.00 0.00 C ATOM 0 H VAL A 9 -11.217 0.706 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.333 2.257 -8.220 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.408 2.669 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.808 5.058 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.105 4.238 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.841 4.630 -7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.268 3.821 -4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.361 3.340 -6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.626 2.099 -5.046 1.00 0.00 H new ATOM 102 N LYS A 10 -8.207 1.264 -7.690 1.00 0.00 N ATOM 103 CA LYS A 10 -6.927 1.022 -8.344 1.00 0.00 C ATOM 104 C LYS A 10 -6.311 -0.290 -7.868 1.00 0.00 C ATOM 105 O LYS A 10 -6.444 -0.661 -6.702 1.00 0.00 O ATOM 106 CB LYS A 10 -5.964 2.179 -8.069 1.00 0.00 C ATOM 107 CG LYS A 10 -4.627 2.040 -8.777 1.00 0.00 C ATOM 108 CD LYS A 10 -3.737 3.247 -8.530 1.00 0.00 C ATOM 109 CE LYS A 10 -2.264 2.881 -8.624 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.907 2.357 -9.971 1.00 0.00 N ATOM 0 H LYS A 10 -8.211 1.074 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.104 0.951 -9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.434 3.113 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.791 2.249 -6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.123 1.138 -8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.792 1.921 -9.848 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.967 4.025 -9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.948 3.661 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.657 3.759 -8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.027 2.132 -7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.876 2.231 -10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.377 1.442 -10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.217 3.031 -10.699 1.00 0.00 H new ATOM 124 N SER A 11 -5.637 -0.986 -8.777 1.00 0.00 N ATOM 125 CA SER A 11 -5.003 -2.258 -8.449 1.00 0.00 C ATOM 126 C SER A 11 -3.609 -2.344 -9.063 1.00 0.00 C ATOM 127 O SER A 11 -3.382 -1.888 -10.183 1.00 0.00 O ATOM 128 CB SER A 11 -5.863 -3.423 -8.944 1.00 0.00 C ATOM 129 OG SER A 11 -6.161 -3.287 -10.323 1.00 0.00 O ATOM 0 H SER A 11 -5.516 -0.691 -9.746 1.00 0.00 H new ATOM 0 HA SER A 11 -4.908 -2.320 -7.365 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.340 -4.364 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.789 -3.465 -8.371 1.00 0.00 H new ATOM 0 HG SER A 11 -6.710 -4.044 -10.615 1.00 0.00 H new ATOM 135 N GLY A 12 -2.677 -2.933 -8.319 1.00 0.00 N ATOM 136 CA GLY A 12 -1.316 -3.068 -8.805 1.00 0.00 C ATOM 137 C GLY A 12 -0.428 -3.825 -7.837 1.00 0.00 C ATOM 138 O GLY A 12 -0.854 -4.173 -6.736 1.00 0.00 O ATOM 0 H GLY A 12 -2.840 -3.319 -7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.326 -3.585 -9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.896 -2.078 -8.980 1.00 0.00 H new ATOM 142 N TRP A 13 0.809 -4.080 -8.249 1.00 0.00 N ATOM 143 CA TRP A 13 1.759 -4.802 -7.410 1.00 0.00 C ATOM 144 C TRP A 13 2.601 -3.836 -6.585 1.00 0.00 C ATOM 145 O TRP A 13 3.056 -2.808 -7.088 1.00 0.00 O ATOM 146 CB TRP A 13 2.667 -5.680 -8.273 1.00 0.00 C ATOM 147 CG TRP A 13 1.979 -6.898 -8.812 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.301 -7.000 -9.993 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.900 -8.184 -8.189 1.00 0.00 C ATOM 150 NE1 TRP A 13 0.805 -8.273 -10.142 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.160 -9.019 -9.049 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.384 -8.713 -6.989 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.893 -10.351 -8.745 1.00 0.00 C ATOM 154 CZ3 TRP A 13 2.118 -10.035 -6.689 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.379 -10.842 -7.563 1.00 0.00 C ATOM 0 H TRP A 13 1.177 -3.798 -9.157 1.00 0.00 H new ATOM 0 HA TRP A 13 1.194 -5.436 -6.727 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.048 -5.088 -9.106 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.529 -5.990 -7.682 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.173 -6.198 -10.705 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.261 -8.608 -10.937 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.956 -8.099 -6.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.323 -10.975 -9.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.486 -10.454 -5.764 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.189 -11.872 -7.299 1.00 0.00 H new ATOM 166 N LEU A 14 2.804 -4.171 -5.315 1.00 0.00 N ATOM 167 CA LEU A 14 3.593 -3.332 -4.420 1.00 0.00 C ATOM 168 C LEU A 14 4.330 -4.179 -3.388 1.00 0.00 C ATOM 169 O LEU A 14 3.800 -5.175 -2.893 1.00 0.00 O ATOM 170 CB LEU A 14 2.691 -2.318 -3.713 1.00 0.00 C ATOM 171 CG LEU A 14 1.817 -1.450 -4.620 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.803 -0.671 -3.797 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.678 -0.504 -5.444 1.00 0.00 C ATOM 0 H LEU A 14 2.433 -5.017 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 14 4.331 -2.798 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.041 -2.858 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.319 -1.662 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 14 1.275 -2.103 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.190 -0.059 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.165 -1.367 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.326 -0.028 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.039 0.106 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.248 0.143 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.364 -1.082 -6.063 1.00 0.00 H new ATOM 185 N LEU A 15 5.555 -3.777 -3.066 1.00 0.00 N ATOM 186 CA LEU A 15 6.365 -4.498 -2.091 1.00 0.00 C ATOM 187 C LEU A 15 6.023 -4.062 -0.669 1.00 0.00 C ATOM 188 O LEU A 15 6.042 -2.872 -0.353 1.00 0.00 O ATOM 189 CB LEU A 15 7.852 -4.267 -2.363 1.00 0.00 C ATOM 190 CG LEU A 15 8.352 -4.673 -3.750 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.626 -3.919 -4.100 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.584 -6.175 -3.814 1.00 0.00 C ATOM 0 H LEU A 15 6.009 -2.956 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 15 6.145 -5.561 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.067 -3.209 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.427 -4.815 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 15 7.588 -4.412 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.967 -4.221 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.427 -2.847 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.398 -4.148 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.940 -6.446 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.330 -6.460 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.649 -6.697 -3.608 1.00 0.00 H new ATOM 204 N ARG A 16 5.712 -5.033 0.183 1.00 0.00 N ATOM 205 CA ARG A 16 5.366 -4.749 1.571 1.00 0.00 C ATOM 206 C ARG A 16 6.316 -5.467 2.525 1.00 0.00 C ATOM 207 O ARG A 16 6.351 -6.697 2.572 1.00 0.00 O ATOM 208 CB ARG A 16 3.924 -5.172 1.856 1.00 0.00 C ATOM 209 CG ARG A 16 3.526 -5.034 3.317 1.00 0.00 C ATOM 210 CD ARG A 16 2.070 -5.414 3.536 1.00 0.00 C ATOM 211 NE ARG A 16 1.537 -4.847 4.772 1.00 0.00 N ATOM 212 CZ ARG A 16 1.673 -5.422 5.962 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.322 -6.573 6.076 1.00 0.00 N ATOM 214 NH2 ARG A 16 1.160 -4.845 7.041 1.00 0.00 N ATOM 0 H ARG A 16 5.692 -6.023 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 16 5.461 -3.675 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.250 -4.570 1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.791 -6.209 1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.165 -5.669 3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.688 -4.007 3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.474 -5.068 2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.979 -6.500 3.566 1.00 0.00 H new ATOM 0 HE ARG A 16 1.033 -3.962 4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.718 -7.019 5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.425 -7.012 6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.661 -3.959 6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.265 -5.287 7.954 1.00 0.00 H new ATOM 228 N GLN A 17 7.084 -4.691 3.283 1.00 0.00 N ATOM 229 CA GLN A 17 8.035 -5.253 4.234 1.00 0.00 C ATOM 230 C GLN A 17 7.312 -5.863 5.430 1.00 0.00 C ATOM 231 O GLN A 17 6.547 -5.186 6.117 1.00 0.00 O ATOM 232 CB GLN A 17 9.012 -4.176 4.709 1.00 0.00 C ATOM 233 CG GLN A 17 10.238 -4.734 5.413 1.00 0.00 C ATOM 234 CD GLN A 17 11.023 -3.667 6.151 1.00 0.00 C ATOM 235 OE1 GLN A 17 11.161 -3.716 7.373 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.544 -2.696 5.409 1.00 0.00 N ATOM 0 H GLN A 17 7.066 -3.671 3.257 1.00 0.00 H new ATOM 0 HA GLN A 17 8.593 -6.041 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.333 -3.585 3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.492 -3.498 5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.928 -5.505 6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.886 -5.215 4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.404 -2.695 4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.084 -1.951 5.850 1.00 0.00 H new ATOM 245 N SER A 18 7.558 -7.147 5.674 1.00 0.00 N ATOM 246 CA SER A 18 6.927 -7.849 6.785 1.00 0.00 C ATOM 247 C SER A 18 7.867 -7.924 7.984 1.00 0.00 C ATOM 248 O SER A 18 9.050 -7.597 7.883 1.00 0.00 O ATOM 249 CB SER A 18 6.516 -9.259 6.356 1.00 0.00 C ATOM 250 OG SER A 18 5.786 -9.911 7.381 1.00 0.00 O ATOM 0 H SER A 18 8.190 -7.722 5.117 1.00 0.00 H new ATOM 0 HA SER A 18 6.037 -7.291 7.077 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.910 -9.205 5.451 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.404 -9.841 6.111 1.00 0.00 H new ATOM 0 HG SER A 18 5.533 -10.809 7.082 1.00 0.00 H new ATOM 256 N THR A 19 7.331 -8.357 9.121 1.00 0.00 N ATOM 257 CA THR A 19 8.120 -8.474 10.342 1.00 0.00 C ATOM 258 C THR A 19 8.811 -9.830 10.421 1.00 0.00 C ATOM 259 O THR A 19 9.932 -9.938 10.919 1.00 0.00 O ATOM 260 CB THR A 19 7.246 -8.282 11.596 1.00 0.00 C ATOM 261 OG1 THR A 19 6.490 -7.071 11.484 1.00 0.00 O ATOM 262 CG2 THR A 19 8.104 -8.236 12.851 1.00 0.00 C ATOM 0 H THR A 19 6.354 -8.632 9.222 1.00 0.00 H new ATOM 0 HA THR A 19 8.873 -7.687 10.309 1.00 0.00 H new ATOM 0 HB THR A 19 6.565 -9.130 11.672 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.935 -6.956 12.284 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.465 -8.100 13.724 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.657 -9.170 12.948 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.806 -7.405 12.782 1.00 0.00 H new ATOM 270 N ILE A 20 8.137 -10.863 9.928 1.00 0.00 N ATOM 271 CA ILE A 20 8.688 -12.212 9.942 1.00 0.00 C ATOM 272 C ILE A 20 9.825 -12.352 8.935 1.00 0.00 C ATOM 273 O ILE A 20 10.986 -12.513 9.312 1.00 0.00 O ATOM 274 CB ILE A 20 7.608 -13.265 9.630 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.554 -13.291 10.739 1.00 0.00 C ATOM 276 CG2 ILE A 20 8.241 -14.639 9.460 1.00 0.00 C ATOM 277 CD1 ILE A 20 5.414 -14.247 10.466 1.00 0.00 C ATOM 0 H ILE A 20 7.208 -10.791 9.514 1.00 0.00 H new ATOM 0 HA ILE A 20 9.073 -12.385 10.947 1.00 0.00 H new ATOM 0 HB ILE A 20 7.117 -12.995 8.695 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.033 -13.568 11.678 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.152 -12.287 10.871 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.465 -15.372 9.240 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.957 -14.611 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.755 -14.919 10.380 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.705 -14.213 11.293 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.910 -13.958 9.544 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.805 -15.259 10.364 1.00 0.00 H new ATOM 289 N LEU A 21 9.483 -12.289 7.653 1.00 0.00 N ATOM 290 CA LEU A 21 10.475 -12.406 6.590 1.00 0.00 C ATOM 291 C LEU A 21 11.441 -11.226 6.613 1.00 0.00 C ATOM 292 O LEU A 21 12.442 -11.214 5.897 1.00 0.00 O ATOM 293 CB LEU A 21 9.784 -12.488 5.227 1.00 0.00 C ATOM 294 CG LEU A 21 9.165 -13.839 4.868 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.970 -13.650 3.946 1.00 0.00 C ATOM 296 CD2 LEU A 21 10.202 -14.746 4.223 1.00 0.00 C ATOM 0 H LEU A 21 8.526 -12.158 7.324 1.00 0.00 H new ATOM 0 HA LEU A 21 11.044 -13.320 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.000 -11.731 5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.511 -12.228 4.457 1.00 0.00 H new ATOM 0 HG LEU A 21 8.818 -14.314 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.542 -14.622 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.219 -13.038 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.292 -13.154 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.744 -15.703 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.580 -14.278 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.026 -14.908 4.918 1.00 0.00 H new ATOM 308 N LYS A 22 11.136 -10.235 7.444 1.00 0.00 N ATOM 309 CA LYS A 22 11.977 -9.051 7.565 1.00 0.00 C ATOM 310 C LYS A 22 12.586 -8.675 6.218 1.00 0.00 C ATOM 311 O LYS A 22 13.803 -8.541 6.091 1.00 0.00 O ATOM 312 CB LYS A 22 13.089 -9.292 8.589 1.00 0.00 C ATOM 313 CG LYS A 22 12.644 -9.097 10.028 1.00 0.00 C ATOM 314 CD LYS A 22 13.805 -8.692 10.920 1.00 0.00 C ATOM 315 CE LYS A 22 14.514 -9.907 11.499 1.00 0.00 C ATOM 316 NZ LYS A 22 15.566 -10.425 10.581 1.00 0.00 N ATOM 0 H LYS A 22 10.311 -10.229 8.044 1.00 0.00 H new ATOM 0 HA LYS A 22 11.351 -8.226 7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.468 -10.307 8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.918 -8.616 8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.868 -8.333 10.070 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.202 -10.021 10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.514 -8.095 10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.440 -8.062 11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.965 -9.643 12.456 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.785 -10.693 11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.475 -11.457 10.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.454 -9.989 9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.505 -10.191 10.962 1.00 0.00 H new ATOM 330 N ARG A 23 11.730 -8.506 5.214 1.00 0.00 N ATOM 331 CA ARG A 23 12.184 -8.145 3.877 1.00 0.00 C ATOM 332 C ARG A 23 11.014 -7.685 3.011 1.00 0.00 C ATOM 333 O ARG A 23 9.852 -7.870 3.373 1.00 0.00 O ATOM 334 CB ARG A 23 12.885 -9.333 3.215 1.00 0.00 C ATOM 335 CG ARG A 23 11.928 -10.392 2.693 1.00 0.00 C ATOM 336 CD ARG A 23 12.659 -11.677 2.336 1.00 0.00 C ATOM 337 NE ARG A 23 13.212 -12.337 3.516 1.00 0.00 N ATOM 338 CZ ARG A 23 13.594 -13.609 3.534 1.00 0.00 C ATOM 339 NH1 ARG A 23 13.483 -14.354 2.443 1.00 0.00 N ATOM 340 NH2 ARG A 23 14.088 -14.139 4.646 1.00 0.00 N ATOM 0 H ARG A 23 10.719 -8.613 5.302 1.00 0.00 H new ATOM 0 HA ARG A 23 12.891 -7.321 3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.496 -8.969 2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.563 -9.791 3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.169 -10.601 3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.408 -10.012 1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.973 -12.356 1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.463 -11.454 1.635 1.00 0.00 H new ATOM 0 HE ARG A 23 13.310 -11.792 4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.103 -13.951 1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.777 -15.330 2.460 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.175 -13.569 5.488 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.381 -15.116 4.659 1.00 0.00 H new ATOM 354 N TRP A 24 11.330 -7.086 1.869 1.00 0.00 N ATOM 355 CA TRP A 24 10.305 -6.599 0.953 1.00 0.00 C ATOM 356 C TRP A 24 9.745 -7.738 0.108 1.00 0.00 C ATOM 357 O TRP A 24 10.491 -8.458 -0.556 1.00 0.00 O ATOM 358 CB TRP A 24 10.879 -5.510 0.045 1.00 0.00 C ATOM 359 CG TRP A 24 11.290 -4.274 0.788 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.539 -3.975 1.252 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.450 -3.174 1.153 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.526 -2.755 1.884 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.256 -2.243 1.836 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.095 -2.885 0.968 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.751 -1.045 2.334 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.595 -1.695 1.463 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.421 -0.787 2.139 1.00 0.00 C ATOM 0 H TRP A 24 12.287 -6.926 1.555 1.00 0.00 H new ATOM 0 HA TRP A 24 9.493 -6.178 1.546 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.742 -5.909 -0.488 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.135 -5.244 -0.706 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.409 -4.605 1.139 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.331 -2.304 2.318 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.451 -3.578 0.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.386 -0.344 2.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.550 -1.461 1.326 1.00 0.00 H new ATOM 0 HH2 TRP A 24 9.000 0.134 2.513 1.00 0.00 H new ATOM 378 N LYS A 25 8.426 -7.897 0.136 1.00 0.00 N ATOM 379 CA LYS A 25 7.764 -8.948 -0.628 1.00 0.00 C ATOM 380 C LYS A 25 6.665 -8.368 -1.511 1.00 0.00 C ATOM 381 O LYS A 25 5.803 -7.625 -1.040 1.00 0.00 O ATOM 382 CB LYS A 25 7.175 -9.999 0.315 1.00 0.00 C ATOM 383 CG LYS A 25 5.808 -9.627 0.862 1.00 0.00 C ATOM 384 CD LYS A 25 5.327 -10.632 1.895 1.00 0.00 C ATOM 385 CE LYS A 25 5.322 -12.047 1.335 1.00 0.00 C ATOM 386 NZ LYS A 25 4.788 -13.030 2.318 1.00 0.00 N ATOM 0 H LYS A 25 7.794 -7.310 0.680 1.00 0.00 H new ATOM 0 HA LYS A 25 8.508 -9.421 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.099 -10.949 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.861 -10.153 1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.853 -8.635 1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.090 -9.574 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.971 -10.589 2.773 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.322 -10.366 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.719 -12.076 0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.336 -12.330 1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.801 -13.982 1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.378 -13.020 3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.811 -12.775 2.568 1.00 0.00 H new ATOM 400 N LYS A 26 6.699 -8.712 -2.794 1.00 0.00 N ATOM 401 CA LYS A 26 5.704 -8.229 -3.744 1.00 0.00 C ATOM 402 C LYS A 26 4.314 -8.746 -3.386 1.00 0.00 C ATOM 403 O LYS A 26 4.131 -9.934 -3.127 1.00 0.00 O ATOM 404 CB LYS A 26 6.071 -8.664 -5.164 1.00 0.00 C ATOM 405 CG LYS A 26 5.601 -7.696 -6.237 1.00 0.00 C ATOM 406 CD LYS A 26 6.651 -6.638 -6.531 1.00 0.00 C ATOM 407 CE LYS A 26 6.496 -6.074 -7.935 1.00 0.00 C ATOM 408 NZ LYS A 26 7.700 -5.309 -8.362 1.00 0.00 N ATOM 0 H LYS A 26 7.406 -9.325 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 26 5.691 -7.140 -3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.153 -8.773 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.639 -9.646 -5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.372 -8.246 -7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.678 -7.214 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.570 -5.831 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.646 -7.070 -6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.316 -6.889 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.622 -5.424 -7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.555 -4.941 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.857 -4.516 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.530 -5.935 -8.353 1.00 0.00 H new ATOM 422 N ASN A 27 3.337 -7.844 -3.375 1.00 0.00 N ATOM 423 CA ASN A 27 1.963 -8.210 -3.049 1.00 0.00 C ATOM 424 C ASN A 27 0.981 -7.545 -4.009 1.00 0.00 C ATOM 425 O ASN A 27 1.375 -6.753 -4.865 1.00 0.00 O ATOM 426 CB ASN A 27 1.635 -7.812 -1.609 1.00 0.00 C ATOM 427 CG ASN A 27 2.529 -8.505 -0.599 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.125 -7.861 0.264 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.625 -9.825 -0.703 1.00 0.00 N ATOM 0 H ASN A 27 3.471 -6.856 -3.588 1.00 0.00 H new ATOM 0 HA ASN A 27 1.867 -9.291 -3.150 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.738 -6.732 -1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.594 -8.055 -1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.211 -10.347 -0.051 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.113 -10.318 -1.435 1.00 0.00 H new ATOM 436 N TRP A 28 -0.297 -7.873 -3.860 1.00 0.00 N ATOM 437 CA TRP A 28 -1.335 -7.307 -4.714 1.00 0.00 C ATOM 438 C TRP A 28 -2.293 -6.441 -3.903 1.00 0.00 C ATOM 439 O TRP A 28 -3.032 -6.941 -3.055 1.00 0.00 O ATOM 440 CB TRP A 28 -2.109 -8.422 -5.418 1.00 0.00 C ATOM 441 CG TRP A 28 -3.068 -7.918 -6.454 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.424 -8.081 -6.464 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.743 -7.170 -7.631 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.962 -7.479 -7.576 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.952 -6.912 -8.307 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.550 -6.690 -8.177 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -3.998 -6.199 -9.502 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.597 -5.983 -9.363 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.814 -5.742 -10.015 1.00 0.00 C ATOM 0 H TRP A 28 -0.639 -8.527 -3.157 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.853 -6.680 -5.464 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.401 -9.104 -5.890 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.659 -8.998 -4.674 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.990 -8.606 -5.709 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.953 -7.458 -7.818 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.608 -6.868 -7.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.935 -6.013 -10.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.680 -5.610 -9.795 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.818 -5.185 -10.940 1.00 0.00 H new ATOM 460 N PHE A 29 -2.277 -5.139 -4.170 1.00 0.00 N ATOM 461 CA PHE A 29 -3.145 -4.203 -3.465 1.00 0.00 C ATOM 462 C PHE A 29 -4.367 -3.852 -4.309 1.00 0.00 C ATOM 463 O PHE A 29 -4.307 -3.854 -5.538 1.00 0.00 O ATOM 464 CB PHE A 29 -2.374 -2.930 -3.109 1.00 0.00 C ATOM 465 CG PHE A 29 -1.418 -3.107 -1.964 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.240 -3.816 -2.132 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.699 -2.566 -0.720 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.642 -3.981 -1.081 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.820 -2.727 0.335 1.00 0.00 C ATOM 470 CZ PHE A 29 0.351 -3.437 0.154 1.00 0.00 C ATOM 0 H PHE A 29 -1.672 -4.708 -4.870 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.486 -4.683 -2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.820 -2.594 -3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.085 -2.142 -2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.008 -4.245 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.615 -2.012 -0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.558 -4.535 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.049 -2.298 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.038 -3.566 0.977 1.00 0.00 H new ATOM 480 N ASP A 30 -5.474 -3.553 -3.639 1.00 0.00 N ATOM 481 CA ASP A 30 -6.711 -3.199 -4.326 1.00 0.00 C ATOM 482 C ASP A 30 -7.598 -2.333 -3.437 1.00 0.00 C ATOM 483 O ASP A 30 -8.109 -2.792 -2.415 1.00 0.00 O ATOM 484 CB ASP A 30 -7.466 -4.462 -4.744 1.00 0.00 C ATOM 485 CG ASP A 30 -6.691 -5.295 -5.746 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.849 -6.111 -5.315 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.927 -5.132 -6.961 1.00 0.00 O ATOM 0 H ASP A 30 -5.541 -3.549 -2.621 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.452 -2.627 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.677 -5.065 -3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.427 -4.181 -5.175 1.00 0.00 H new ATOM 492 N LEU A 31 -7.775 -1.077 -3.832 1.00 0.00 N ATOM 493 CA LEU A 31 -8.599 -0.144 -3.071 1.00 0.00 C ATOM 494 C LEU A 31 -10.067 -0.268 -3.465 1.00 0.00 C ATOM 495 O LEU A 31 -10.392 -0.435 -4.641 1.00 0.00 O ATOM 496 CB LEU A 31 -8.118 1.291 -3.293 1.00 0.00 C ATOM 497 CG LEU A 31 -8.656 2.338 -2.317 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.865 2.314 -1.019 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.614 3.723 -2.945 1.00 0.00 C ATOM 0 H LEU A 31 -7.359 -0.681 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.504 -0.392 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.029 1.300 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.391 1.592 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.694 2.096 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.262 3.066 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.948 1.328 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.817 2.531 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.001 4.456 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.585 3.975 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.226 3.732 -3.847 1.00 0.00 H new ATOM 511 N TRP A 32 -10.949 -0.182 -2.477 1.00 0.00 N ATOM 512 CA TRP A 32 -12.383 -0.282 -2.721 1.00 0.00 C ATOM 513 C TRP A 32 -13.004 1.100 -2.890 1.00 0.00 C ATOM 514 O TRP A 32 -12.421 2.106 -2.488 1.00 0.00 O ATOM 515 CB TRP A 32 -13.067 -1.025 -1.572 1.00 0.00 C ATOM 516 CG TRP A 32 -12.741 -2.487 -1.533 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.514 -3.059 -1.715 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.656 -3.563 -1.299 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.611 -4.425 -1.608 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.914 -4.760 -1.352 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.029 -3.633 -1.047 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.501 -6.008 -1.164 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.610 -4.873 -0.861 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.847 -6.046 -0.919 1.00 0.00 C ATOM 0 H TRP A 32 -10.697 -0.043 -1.499 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.531 -0.842 -3.645 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.772 -0.569 -0.627 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.146 -0.903 -1.661 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.601 -2.517 -1.914 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.838 -5.083 -1.704 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.625 -2.734 -0.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.915 -6.914 -1.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.671 -4.939 -0.668 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.330 -7.000 -0.767 1.00 0.00 H new ATOM 535 N SER A 33 -14.191 1.142 -3.488 1.00 0.00 N ATOM 536 CA SER A 33 -14.889 2.402 -3.713 1.00 0.00 C ATOM 537 C SER A 33 -15.316 3.031 -2.390 1.00 0.00 C ATOM 538 O SER A 33 -15.501 4.245 -2.298 1.00 0.00 O ATOM 539 CB SER A 33 -16.114 2.179 -4.603 1.00 0.00 C ATOM 540 OG SER A 33 -16.977 1.203 -4.047 1.00 0.00 O ATOM 0 H SER A 33 -14.689 0.318 -3.825 1.00 0.00 H new ATOM 0 HA SER A 33 -14.203 3.084 -4.215 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.654 3.118 -4.726 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.794 1.863 -5.596 1.00 0.00 H new ATOM 0 HG SER A 33 -17.753 1.080 -4.633 1.00 0.00 H new ATOM 546 N ASP A 34 -15.471 2.196 -1.368 1.00 0.00 N ATOM 547 CA ASP A 34 -15.875 2.668 -0.049 1.00 0.00 C ATOM 548 C ASP A 34 -14.657 3.030 0.795 1.00 0.00 C ATOM 549 O ASP A 34 -14.771 3.273 1.996 1.00 0.00 O ATOM 550 CB ASP A 34 -16.708 1.602 0.665 1.00 0.00 C ATOM 551 CG ASP A 34 -18.185 1.711 0.344 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.782 2.764 0.650 1.00 0.00 O ATOM 553 OD2 ASP A 34 -18.745 0.743 -0.212 1.00 0.00 O ATOM 0 H ASP A 34 -15.323 1.189 -1.428 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.482 3.564 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.349 0.613 0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.565 1.694 1.742 1.00 0.00 H new ATOM 558 N GLY A 35 -13.490 3.062 0.158 1.00 0.00 N ATOM 559 CA GLY A 35 -12.267 3.393 0.867 1.00 0.00 C ATOM 560 C GLY A 35 -11.527 2.163 1.353 1.00 0.00 C ATOM 561 O GLY A 35 -10.298 2.111 1.310 1.00 0.00 O ATOM 0 H GLY A 35 -13.370 2.865 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.615 3.970 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.506 4.030 1.719 1.00 0.00 H new ATOM 565 N HIS A 36 -12.277 1.169 1.819 1.00 0.00 N ATOM 566 CA HIS A 36 -11.684 -0.068 2.316 1.00 0.00 C ATOM 567 C HIS A 36 -10.562 -0.540 1.397 1.00 0.00 C ATOM 568 O HIS A 36 -10.705 -0.538 0.174 1.00 0.00 O ATOM 569 CB HIS A 36 -12.751 -1.156 2.440 1.00 0.00 C ATOM 570 CG HIS A 36 -13.423 -1.187 3.778 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.677 -0.657 4.002 1.00 0.00 N ATOM 572 CD2 HIS A 36 -13.011 -1.689 4.965 1.00 0.00 C ATOM 573 CE1 HIS A 36 -15.005 -0.831 5.270 1.00 0.00 C ATOM 574 NE2 HIS A 36 -14.011 -1.455 5.876 1.00 0.00 N ATOM 0 H HIS A 36 -13.296 1.196 1.863 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.263 0.130 3.302 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.505 -1.004 1.668 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.292 -2.126 2.251 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.070 -2.182 5.160 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.929 -0.516 5.732 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.990 -1.720 6.861 1.00 0.00 H new ATOM 583 N LEU A 37 -9.446 -0.944 1.994 1.00 0.00 N ATOM 584 CA LEU A 37 -8.298 -1.420 1.229 1.00 0.00 C ATOM 585 C LEU A 37 -7.951 -2.857 1.604 1.00 0.00 C ATOM 586 O LEU A 37 -7.815 -3.185 2.783 1.00 0.00 O ATOM 587 CB LEU A 37 -7.090 -0.512 1.468 1.00 0.00 C ATOM 588 CG LEU A 37 -5.766 -0.986 0.869 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.795 -0.873 -0.647 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.604 -0.187 1.443 1.00 0.00 C ATOM 0 H LEU A 37 -9.311 -0.952 3.005 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.561 -1.394 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.316 0.474 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.957 -0.393 2.543 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.625 -2.034 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.844 -1.215 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.602 -1.489 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.959 0.166 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.670 -0.538 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.739 0.869 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.570 -0.319 2.524 1.00 0.00 H new ATOM 602 N ILE A 38 -7.807 -3.708 0.594 1.00 0.00 N ATOM 603 CA ILE A 38 -7.473 -5.109 0.818 1.00 0.00 C ATOM 604 C ILE A 38 -6.401 -5.581 -0.159 1.00 0.00 C ATOM 605 O ILE A 38 -6.473 -5.306 -1.356 1.00 0.00 O ATOM 606 CB ILE A 38 -8.712 -6.013 0.679 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.860 -5.478 1.538 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.371 -7.443 1.072 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.154 -6.240 1.360 1.00 0.00 C ATOM 0 H ILE A 38 -7.916 -3.452 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.092 -5.184 1.837 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.031 -6.009 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.567 -5.517 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.029 -4.429 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.257 -8.070 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.581 -7.820 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.030 -7.464 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.923 -5.806 1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.471 -6.180 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.002 -7.284 1.634 1.00 0.00 H new ATOM 621 N TYR A 39 -5.409 -6.295 0.361 1.00 0.00 N ATOM 622 CA TYR A 39 -4.321 -6.806 -0.465 1.00 0.00 C ATOM 623 C TYR A 39 -4.195 -8.320 -0.325 1.00 0.00 C ATOM 624 O TYR A 39 -4.544 -8.890 0.709 1.00 0.00 O ATOM 625 CB TYR A 39 -3.001 -6.135 -0.079 1.00 0.00 C ATOM 626 CG TYR A 39 -2.888 -5.827 1.397 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.437 -4.666 1.928 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.233 -6.697 2.260 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.335 -4.380 3.276 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.128 -6.419 3.609 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.680 -5.260 4.112 1.00 0.00 C ATOM 632 OH TYR A 39 -2.577 -4.979 5.456 1.00 0.00 O ATOM 0 H TYR A 39 -5.336 -6.533 1.350 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.549 -6.573 -1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.175 -6.783 -0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.895 -5.209 -0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.952 -3.976 1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.799 -7.606 1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.766 -3.473 3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.616 -7.106 4.266 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.353 -4.452 5.740 1.00 0.00 H new ATOM 642 N TYR A 40 -3.694 -8.964 -1.373 1.00 0.00 N ATOM 643 CA TYR A 40 -3.524 -10.412 -1.370 1.00 0.00 C ATOM 644 C TYR A 40 -2.051 -10.787 -1.502 1.00 0.00 C ATOM 645 O TYR A 40 -1.185 -9.919 -1.614 1.00 0.00 O ATOM 646 CB TYR A 40 -4.327 -11.044 -2.508 1.00 0.00 C ATOM 647 CG TYR A 40 -5.764 -10.580 -2.566 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.098 -9.356 -3.133 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.790 -11.365 -2.053 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.410 -8.928 -3.187 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.105 -10.945 -2.104 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.410 -9.725 -2.671 1.00 0.00 C ATOM 653 OH TYR A 40 -9.718 -9.303 -2.724 1.00 0.00 O ATOM 0 H TYR A 40 -3.399 -8.506 -2.235 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.894 -10.794 -0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.841 -10.813 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.308 -12.128 -2.396 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.318 -8.729 -3.538 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.555 -12.320 -1.607 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.652 -7.974 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.890 -11.568 -1.702 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.297 -9.982 -2.319 1.00 0.00 H new ATOM 663 N ASP A 41 -1.775 -12.087 -1.489 1.00 0.00 N ATOM 664 CA ASP A 41 -0.407 -12.579 -1.609 1.00 0.00 C ATOM 665 C ASP A 41 0.035 -12.604 -3.069 1.00 0.00 C ATOM 666 O ASP A 41 1.229 -12.579 -3.366 1.00 0.00 O ATOM 667 CB ASP A 41 -0.292 -13.979 -1.004 1.00 0.00 C ATOM 668 CG ASP A 41 1.137 -14.338 -0.644 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.902 -13.425 -0.268 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.490 -15.532 -0.738 1.00 0.00 O ATOM 0 H ASP A 41 -2.480 -12.818 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 41 0.247 -11.900 -1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.914 -14.038 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.680 -14.711 -1.712 1.00 0.00 H new ATOM 675 N ASP A 42 -0.935 -12.655 -3.975 1.00 0.00 N ATOM 676 CA ASP A 42 -0.647 -12.684 -5.404 1.00 0.00 C ATOM 677 C ASP A 42 -1.890 -12.338 -6.217 1.00 0.00 C ATOM 678 O ASP A 42 -2.931 -11.993 -5.658 1.00 0.00 O ATOM 679 CB ASP A 42 -0.121 -14.061 -5.812 1.00 0.00 C ATOM 680 CG ASP A 42 1.251 -14.351 -5.236 1.00 0.00 C ATOM 681 OD1 ASP A 42 2.163 -13.519 -5.426 1.00 0.00 O ATOM 682 OD2 ASP A 42 1.412 -15.410 -4.595 1.00 0.00 O ATOM 0 H ASP A 42 -1.928 -12.677 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 42 0.118 -11.936 -5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.821 -14.827 -5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.076 -14.122 -6.899 1.00 0.00 H new ATOM 687 N GLN A 43 -1.774 -12.434 -7.537 1.00 0.00 N ATOM 688 CA GLN A 43 -2.889 -12.130 -8.426 1.00 0.00 C ATOM 689 C GLN A 43 -3.902 -13.269 -8.437 1.00 0.00 C ATOM 690 O GLN A 43 -4.341 -13.714 -9.499 1.00 0.00 O ATOM 691 CB GLN A 43 -2.380 -11.869 -9.845 1.00 0.00 C ATOM 692 CG GLN A 43 -1.759 -13.091 -10.503 1.00 0.00 C ATOM 693 CD GLN A 43 -0.271 -13.205 -10.234 1.00 0.00 C ATOM 694 OE1 GLN A 43 0.546 -12.619 -10.945 1.00 0.00 O ATOM 695 NE2 GLN A 43 0.088 -13.961 -9.204 1.00 0.00 N ATOM 0 H GLN A 43 -0.919 -12.720 -8.015 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.384 -11.233 -8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.208 -11.517 -10.460 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.642 -11.068 -9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.260 -13.988 -10.140 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.928 -13.045 -11.579 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.623 -14.428 -8.642 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.075 -14.075 -8.975 1.00 0.00 H new ATOM 704 N THR A 44 -4.271 -13.739 -7.250 1.00 0.00 N ATOM 705 CA THR A 44 -5.231 -14.827 -7.123 1.00 0.00 C ATOM 706 C THR A 44 -6.511 -14.354 -6.443 1.00 0.00 C ATOM 707 O THR A 44 -7.535 -15.037 -6.484 1.00 0.00 O ATOM 708 CB THR A 44 -4.644 -16.005 -6.322 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.883 -15.512 -5.213 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.758 -16.871 -7.205 1.00 0.00 C ATOM 0 H THR A 44 -3.919 -13.382 -6.362 1.00 0.00 H new ATOM 0 HA THR A 44 -5.462 -15.164 -8.134 1.00 0.00 H new ATOM 0 HB THR A 44 -5.470 -16.613 -5.954 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.515 -16.267 -4.708 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.355 -17.696 -6.618 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.346 -17.268 -8.033 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.938 -16.270 -7.598 1.00 0.00 H new ATOM 718 N ARG A 45 -6.447 -13.182 -5.820 1.00 0.00 N ATOM 719 CA ARG A 45 -7.602 -12.619 -5.131 1.00 0.00 C ATOM 720 C ARG A 45 -8.357 -13.699 -4.363 1.00 0.00 C ATOM 721 O ARG A 45 -9.570 -13.609 -4.179 1.00 0.00 O ATOM 722 CB ARG A 45 -8.539 -11.941 -6.133 1.00 0.00 C ATOM 723 CG ARG A 45 -7.835 -10.966 -7.062 1.00 0.00 C ATOM 724 CD ARG A 45 -8.759 -9.835 -7.487 1.00 0.00 C ATOM 725 NE ARG A 45 -8.404 -9.302 -8.799 1.00 0.00 N ATOM 726 CZ ARG A 45 -9.183 -8.480 -9.493 1.00 0.00 C ATOM 727 NH1 ARG A 45 -10.354 -8.099 -9.003 1.00 0.00 N ATOM 728 NH2 ARG A 45 -8.790 -8.037 -10.681 1.00 0.00 N ATOM 0 H ARG A 45 -5.608 -12.604 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.242 -11.876 -4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.033 -12.707 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.319 -11.410 -5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.959 -10.553 -6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.478 -11.496 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.787 -10.196 -7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.717 -9.035 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.509 -9.576 -9.205 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.659 -8.437 -8.090 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.950 -7.468 -9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.889 -8.328 -11.061 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.389 -7.406 -11.214 1.00 0.00 H new ATOM 742 N GLN A 46 -7.630 -14.719 -3.917 1.00 0.00 N ATOM 743 CA GLN A 46 -8.232 -15.816 -3.170 1.00 0.00 C ATOM 744 C GLN A 46 -7.628 -15.920 -1.773 1.00 0.00 C ATOM 745 O GLN A 46 -8.310 -16.289 -0.817 1.00 0.00 O ATOM 746 CB GLN A 46 -8.043 -17.136 -3.919 1.00 0.00 C ATOM 747 CG GLN A 46 -6.778 -17.883 -3.527 1.00 0.00 C ATOM 748 CD GLN A 46 -6.540 -19.116 -4.376 1.00 0.00 C ATOM 749 OE1 GLN A 46 -6.784 -19.108 -5.583 1.00 0.00 O ATOM 750 NE2 GLN A 46 -6.062 -20.184 -3.749 1.00 0.00 N ATOM 0 H GLN A 46 -6.624 -14.808 -4.060 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.298 -15.612 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.905 -17.776 -3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.020 -16.936 -4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.923 -17.214 -3.618 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.844 -18.176 -2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.874 -20.146 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.882 -21.043 -4.269 1.00 0.00 H new ATOM 759 N SER A 47 -6.345 -15.591 -1.663 1.00 0.00 N ATOM 760 CA SER A 47 -5.647 -15.652 -0.384 1.00 0.00 C ATOM 761 C SER A 47 -5.482 -14.256 0.211 1.00 0.00 C ATOM 762 O SER A 47 -4.397 -13.675 0.167 1.00 0.00 O ATOM 763 CB SER A 47 -4.277 -16.310 -0.556 1.00 0.00 C ATOM 764 OG SER A 47 -4.384 -17.723 -0.538 1.00 0.00 O ATOM 0 H SER A 47 -5.768 -15.279 -2.444 1.00 0.00 H new ATOM 0 HA SER A 47 -6.246 -16.252 0.300 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.831 -15.988 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.610 -15.982 0.242 1.00 0.00 H new ATOM 0 HG SER A 47 -3.495 -18.120 -0.651 1.00 0.00 H new ATOM 770 N ILE A 48 -6.566 -13.725 0.766 1.00 0.00 N ATOM 771 CA ILE A 48 -6.542 -12.399 1.371 1.00 0.00 C ATOM 772 C ILE A 48 -5.464 -12.304 2.445 1.00 0.00 C ATOM 773 O ILE A 48 -5.518 -13.003 3.456 1.00 0.00 O ATOM 774 CB ILE A 48 -7.904 -12.039 1.994 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.999 -12.058 0.925 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.836 -10.676 2.666 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.399 -11.990 1.494 1.00 0.00 C ATOM 0 H ILE A 48 -7.472 -14.192 0.809 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.319 -11.692 0.572 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.149 -12.784 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.849 -11.217 0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.900 -12.967 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.806 -10.436 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.081 -10.695 3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.573 -9.919 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.124 -12.008 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.568 -12.845 2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.516 -11.068 2.064 1.00 0.00 H new ATOM 789 N GLU A 49 -4.485 -11.433 2.218 1.00 0.00 N ATOM 790 CA GLU A 49 -3.395 -11.246 3.168 1.00 0.00 C ATOM 791 C GLU A 49 -3.872 -10.486 4.402 1.00 0.00 C ATOM 792 O GLU A 49 -3.610 -10.892 5.534 1.00 0.00 O ATOM 793 CB GLU A 49 -2.238 -10.493 2.507 1.00 0.00 C ATOM 794 CG GLU A 49 -1.219 -11.404 1.843 1.00 0.00 C ATOM 795 CD GLU A 49 -0.516 -12.312 2.833 1.00 0.00 C ATOM 796 OE1 GLU A 49 -0.620 -12.056 4.050 1.00 0.00 O ATOM 797 OE2 GLU A 49 0.139 -13.279 2.390 1.00 0.00 O ATOM 0 H GLU A 49 -4.425 -10.847 1.385 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.047 -12.230 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.641 -9.808 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.734 -9.886 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.718 -12.012 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.478 -10.796 1.323 1.00 0.00 H new ATOM 804 N ASP A 50 -4.573 -9.381 4.174 1.00 0.00 N ATOM 805 CA ASP A 50 -5.088 -8.563 5.267 1.00 0.00 C ATOM 806 C ASP A 50 -6.064 -7.513 4.746 1.00 0.00 C ATOM 807 O ASP A 50 -6.219 -7.339 3.537 1.00 0.00 O ATOM 808 CB ASP A 50 -3.937 -7.884 6.010 1.00 0.00 C ATOM 809 CG ASP A 50 -4.335 -7.427 7.400 1.00 0.00 C ATOM 810 OD1 ASP A 50 -5.273 -8.019 7.974 1.00 0.00 O ATOM 811 OD2 ASP A 50 -3.707 -6.478 7.914 1.00 0.00 O ATOM 0 H ASP A 50 -4.798 -9.031 3.243 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.620 -9.217 5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.098 -8.576 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.592 -7.026 5.433 1.00 0.00 H new ATOM 816 N LYS A 51 -6.722 -6.816 5.667 1.00 0.00 N ATOM 817 CA LYS A 51 -7.683 -5.782 5.302 1.00 0.00 C ATOM 818 C LYS A 51 -7.579 -4.587 6.244 1.00 0.00 C ATOM 819 O LYS A 51 -7.516 -4.747 7.463 1.00 0.00 O ATOM 820 CB LYS A 51 -9.105 -6.347 5.333 1.00 0.00 C ATOM 821 CG LYS A 51 -10.184 -5.277 5.358 1.00 0.00 C ATOM 822 CD LYS A 51 -11.555 -5.860 5.060 1.00 0.00 C ATOM 823 CE LYS A 51 -12.044 -6.743 6.198 1.00 0.00 C ATOM 824 NZ LYS A 51 -12.314 -5.956 7.434 1.00 0.00 N ATOM 0 H LYS A 51 -6.607 -6.949 6.672 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.453 -5.446 4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.254 -6.981 4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.215 -6.983 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.197 -4.795 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.949 -4.505 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.267 -5.052 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.512 -6.442 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.953 -7.261 5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.297 -7.508 6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.876 -6.530 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.413 -5.694 7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.842 -5.094 7.188 1.00 0.00 H new ATOM 838 N VAL A 52 -7.563 -3.387 5.670 1.00 0.00 N ATOM 839 CA VAL A 52 -7.470 -2.164 6.458 1.00 0.00 C ATOM 840 C VAL A 52 -8.120 -0.992 5.732 1.00 0.00 C ATOM 841 O VAL A 52 -7.941 -0.818 4.527 1.00 0.00 O ATOM 842 CB VAL A 52 -6.005 -1.810 6.773 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.886 -0.353 7.195 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.454 -2.732 7.851 1.00 0.00 C ATOM 0 H VAL A 52 -7.613 -3.237 4.662 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.000 -2.348 7.392 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.413 -1.951 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.844 -0.121 7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.239 0.289 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.490 -0.182 8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.418 -2.468 8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.047 -2.625 8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.502 -3.765 7.506 1.00 0.00 H new ATOM 854 N HIS A 53 -8.876 -0.189 6.475 1.00 0.00 N ATOM 855 CA HIS A 53 -9.552 0.969 5.902 1.00 0.00 C ATOM 856 C HIS A 53 -8.604 2.161 5.807 1.00 0.00 C ATOM 857 O HIS A 53 -7.527 2.158 6.403 1.00 0.00 O ATOM 858 CB HIS A 53 -10.774 1.340 6.743 1.00 0.00 C ATOM 859 CG HIS A 53 -11.917 1.874 5.936 1.00 0.00 C ATOM 860 ND1 HIS A 53 -13.146 2.179 6.482 1.00 0.00 N ATOM 861 CD2 HIS A 53 -12.013 2.158 4.616 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.949 2.627 5.532 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.284 2.624 4.390 1.00 0.00 N ATOM 0 H HIS A 53 -9.035 -0.319 7.474 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.878 0.707 4.896 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.108 0.460 7.292 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.483 2.086 7.483 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.234 2.040 3.878 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.973 2.942 5.666 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.655 2.920 3.487 1.00 0.00 H new ATOM 872 N MET A 54 -9.012 3.178 5.055 1.00 0.00 N ATOM 873 CA MET A 54 -8.199 4.376 4.884 1.00 0.00 C ATOM 874 C MET A 54 -8.705 5.508 5.772 1.00 0.00 C ATOM 875 O MET A 54 -8.062 5.899 6.747 1.00 0.00 O ATOM 876 CB MET A 54 -8.206 4.818 3.419 1.00 0.00 C ATOM 877 CG MET A 54 -7.021 4.300 2.621 1.00 0.00 C ATOM 878 SD MET A 54 -5.438 4.756 3.354 1.00 0.00 S ATOM 879 CE MET A 54 -5.413 6.518 3.036 1.00 0.00 C ATOM 0 H MET A 54 -9.901 3.196 4.555 1.00 0.00 H new ATOM 0 HA MET A 54 -7.177 4.137 5.179 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.128 4.475 2.949 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.213 5.907 3.377 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.084 3.214 2.548 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.073 4.692 1.605 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.477 6.786 2.545 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.250 6.783 2.390 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.496 7.059 3.979 1.00 0.00 H new ATOM 889 N PRO A 55 -9.883 6.049 5.429 1.00 0.00 N ATOM 890 CA PRO A 55 -10.501 7.144 6.182 1.00 0.00 C ATOM 891 C PRO A 55 -10.994 6.698 7.554 1.00 0.00 C ATOM 892 O PRO A 55 -11.594 7.478 8.294 1.00 0.00 O ATOM 893 CB PRO A 55 -11.680 7.562 5.300 1.00 0.00 C ATOM 894 CG PRO A 55 -12.009 6.344 4.507 1.00 0.00 C ATOM 895 CD PRO A 55 -10.703 5.633 4.279 1.00 0.00 C ATOM 0 HA PRO A 55 -9.795 7.950 6.382 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.530 7.884 5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.413 8.397 4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.712 5.707 5.044 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.479 6.610 3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.834 4.551 4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.246 5.925 3.333 1.00 0.00 H new ATOM 903 N VAL A 56 -10.737 5.437 7.889 1.00 0.00 N ATOM 904 CA VAL A 56 -11.154 4.887 9.173 1.00 0.00 C ATOM 905 C VAL A 56 -9.960 4.350 9.955 1.00 0.00 C ATOM 906 O VAL A 56 -9.774 4.677 11.127 1.00 0.00 O ATOM 907 CB VAL A 56 -12.185 3.757 8.992 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.122 2.784 10.159 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.585 4.333 8.842 1.00 0.00 C ATOM 0 H VAL A 56 -10.242 4.778 7.289 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.614 5.702 9.732 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.942 3.210 8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.858 1.993 10.013 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.125 2.347 10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.338 3.314 11.087 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.301 3.521 8.715 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.840 4.906 9.734 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.618 4.986 7.970 1.00 0.00 H new ATOM 919 N ASP A 57 -9.153 3.525 9.297 1.00 0.00 N ATOM 920 CA ASP A 57 -7.974 2.943 9.930 1.00 0.00 C ATOM 921 C ASP A 57 -6.790 3.902 9.858 1.00 0.00 C ATOM 922 O ASP A 57 -6.267 4.336 10.886 1.00 0.00 O ATOM 923 CB ASP A 57 -7.613 1.616 9.261 1.00 0.00 C ATOM 924 CG ASP A 57 -6.990 0.630 10.229 1.00 0.00 C ATOM 925 OD1 ASP A 57 -5.757 0.683 10.417 1.00 0.00 O ATOM 926 OD2 ASP A 57 -7.735 -0.195 10.799 1.00 0.00 O ATOM 0 H ASP A 57 -9.293 3.244 8.326 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.207 2.760 10.979 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.510 1.176 8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.920 1.803 8.441 1.00 0.00 H new ATOM 931 N CYS A 58 -6.371 4.227 8.640 1.00 0.00 N ATOM 932 CA CYS A 58 -5.247 5.133 8.435 1.00 0.00 C ATOM 933 C CYS A 58 -5.614 6.556 8.844 1.00 0.00 C ATOM 934 O CYS A 58 -6.681 7.058 8.492 1.00 0.00 O ATOM 935 CB CYS A 58 -4.806 5.109 6.971 1.00 0.00 C ATOM 936 SG CYS A 58 -3.760 6.503 6.491 1.00 0.00 S ATOM 0 H CYS A 58 -6.793 3.877 7.780 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.421 4.795 9.061 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.266 4.181 6.781 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.692 5.098 6.336 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.707 6.538 7.253 1.00 0.00 H new ATOM 942 N ILE A 59 -4.723 7.199 9.591 1.00 0.00 N ATOM 943 CA ILE A 59 -4.953 8.564 10.049 1.00 0.00 C ATOM 944 C ILE A 59 -4.023 9.545 9.344 1.00 0.00 C ATOM 945 O ILE A 59 -4.354 10.718 9.176 1.00 0.00 O ATOM 946 CB ILE A 59 -4.753 8.688 11.571 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.541 7.868 12.017 1.00 0.00 C ATOM 948 CG2 ILE A 59 -6.005 8.237 12.309 1.00 0.00 C ATOM 949 CD1 ILE A 59 -3.043 8.227 13.400 1.00 0.00 C ATOM 0 H ILE A 59 -3.835 6.797 9.892 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.987 8.808 9.805 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.569 9.735 11.814 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.801 6.810 11.997 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.732 8.011 11.300 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.848 8.331 13.383 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.848 8.860 12.010 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.218 7.197 12.063 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.183 7.606 13.649 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.751 9.277 13.420 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.836 8.057 14.128 1.00 0.00 H new ATOM 961 N ASN A 60 -2.858 9.055 8.931 1.00 0.00 N ATOM 962 CA ASN A 60 -1.880 9.888 8.242 1.00 0.00 C ATOM 963 C ASN A 60 -1.222 9.122 7.098 1.00 0.00 C ATOM 964 O ASN A 60 -1.268 7.893 7.054 1.00 0.00 O ATOM 965 CB ASN A 60 -0.813 10.377 9.224 1.00 0.00 C ATOM 966 CG ASN A 60 0.180 11.322 8.575 1.00 0.00 C ATOM 967 OD1 ASN A 60 1.312 10.941 8.277 1.00 0.00 O ATOM 968 ND2 ASN A 60 -0.241 12.562 8.355 1.00 0.00 N ATOM 0 H ASN A 60 -2.569 8.086 9.062 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.403 10.749 7.826 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.297 10.881 10.061 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.280 9.519 9.634 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.383 13.243 7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.188 12.833 8.619 1.00 0.00 H new ATOM 975 N ILE A 61 -0.611 9.857 6.175 1.00 0.00 N ATOM 976 CA ILE A 61 0.058 9.247 5.033 1.00 0.00 C ATOM 977 C ILE A 61 1.421 9.885 4.789 1.00 0.00 C ATOM 978 O ILE A 61 1.535 11.104 4.667 1.00 0.00 O ATOM 979 CB ILE A 61 -0.790 9.370 3.753 1.00 0.00 C ATOM 980 CG1 ILE A 61 -2.129 8.652 3.931 1.00 0.00 C ATOM 981 CG2 ILE A 61 -0.034 8.804 2.560 1.00 0.00 C ATOM 982 CD1 ILE A 61 -3.120 8.937 2.825 1.00 0.00 C ATOM 0 H ILE A 61 -0.566 10.876 6.196 1.00 0.00 H new ATOM 0 HA ILE A 61 0.191 8.192 5.272 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.987 10.426 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.952 7.578 3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.566 8.948 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.646 8.898 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.896 9.356 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.190 7.752 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.046 8.395 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.327 10.007 2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.703 8.615 1.871 1.00 0.00 H new ATOM 994 N ARG A 62 2.454 9.051 4.717 1.00 0.00 N ATOM 995 CA ARG A 62 3.810 9.533 4.487 1.00 0.00 C ATOM 996 C ARG A 62 4.438 8.835 3.284 1.00 0.00 C ATOM 997 O ARG A 62 4.133 7.678 2.993 1.00 0.00 O ATOM 998 CB ARG A 62 4.673 9.304 5.729 1.00 0.00 C ATOM 999 CG ARG A 62 4.048 9.831 7.011 1.00 0.00 C ATOM 1000 CD ARG A 62 5.105 10.158 8.053 1.00 0.00 C ATOM 1001 NE ARG A 62 4.662 11.204 8.972 1.00 0.00 N ATOM 1002 CZ ARG A 62 3.761 11.008 9.928 1.00 0.00 C ATOM 1003 NH1 ARG A 62 3.210 9.814 10.090 1.00 0.00 N ATOM 1004 NH2 ARG A 62 3.410 12.010 10.725 1.00 0.00 N ATOM 0 H ARG A 62 2.377 8.039 4.815 1.00 0.00 H new ATOM 0 HA ARG A 62 3.758 10.602 4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.861 8.236 5.839 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.640 9.784 5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.464 10.724 6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.358 9.089 7.412 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.348 9.258 8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.020 10.478 7.554 1.00 0.00 H new ATOM 0 HE ARG A 62 5.067 12.135 8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.477 9.042 9.480 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.518 9.667 10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.832 12.930 10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.718 11.859 11.459 1.00 0.00 H new ATOM 1018 N THR A 63 5.317 9.548 2.586 1.00 0.00 N ATOM 1019 CA THR A 63 5.987 8.999 1.413 1.00 0.00 C ATOM 1020 C THR A 63 7.459 9.393 1.386 1.00 0.00 C ATOM 1021 O THR A 63 7.844 10.431 1.922 1.00 0.00 O ATOM 1022 CB THR A 63 5.316 9.472 0.110 1.00 0.00 C ATOM 1023 OG1 THR A 63 5.073 10.883 0.168 1.00 0.00 O ATOM 1024 CG2 THR A 63 4.005 8.737 -0.122 1.00 0.00 C ATOM 0 H THR A 63 5.581 10.507 2.813 1.00 0.00 H new ATOM 0 HA THR A 63 5.906 7.914 1.481 1.00 0.00 H new ATOM 0 HB THR A 63 5.989 9.253 -0.719 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.423 11.241 1.010 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.550 9.088 -1.048 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.196 7.666 -0.195 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.328 8.929 0.710 1.00 0.00 H new ATOM 1032 N GLY A 64 8.279 8.558 0.756 1.00 0.00 N ATOM 1033 CA GLY A 64 9.701 8.838 0.670 1.00 0.00 C ATOM 1034 C GLY A 64 10.333 9.050 2.031 1.00 0.00 C ATOM 1035 O GLY A 64 10.020 8.340 2.986 1.00 0.00 O ATOM 0 H GLY A 64 7.985 7.693 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.201 8.011 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.857 9.726 0.058 1.00 0.00 H new ATOM 1039 N HIS A 65 11.228 10.029 2.120 1.00 0.00 N ATOM 1040 CA HIS A 65 11.908 10.332 3.374 1.00 0.00 C ATOM 1041 C HIS A 65 10.902 10.507 4.508 1.00 0.00 C ATOM 1042 O HIS A 65 11.166 10.124 5.648 1.00 0.00 O ATOM 1043 CB HIS A 65 12.754 11.597 3.228 1.00 0.00 C ATOM 1044 CG HIS A 65 14.149 11.333 2.751 1.00 0.00 C ATOM 1045 ND1 HIS A 65 14.604 11.714 1.507 1.00 0.00 N ATOM 1046 CD2 HIS A 65 15.192 10.722 3.361 1.00 0.00 C ATOM 1047 CE1 HIS A 65 15.866 11.348 1.371 1.00 0.00 C ATOM 1048 NE2 HIS A 65 16.247 10.745 2.482 1.00 0.00 N ATOM 0 H HIS A 65 11.499 10.626 1.339 1.00 0.00 H new ATOM 0 HA HIS A 65 12.561 9.494 3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.262 12.274 2.530 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.798 12.108 4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 65 15.194 10.296 4.353 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.481 11.514 0.499 1.00 0.00 H new ATOM 0 HE2 HIS A 65 17.174 10.359 2.659 1.00 0.00 H new ATOM 1057 N GLU A 66 9.750 11.087 4.187 1.00 0.00 N ATOM 1058 CA GLU A 66 8.707 11.314 5.181 1.00 0.00 C ATOM 1059 C GLU A 66 8.434 10.044 5.982 1.00 0.00 C ATOM 1060 O GLU A 66 8.136 10.103 7.176 1.00 0.00 O ATOM 1061 CB GLU A 66 7.420 11.788 4.502 1.00 0.00 C ATOM 1062 CG GLU A 66 7.613 13.007 3.616 1.00 0.00 C ATOM 1063 CD GLU A 66 6.356 13.377 2.852 1.00 0.00 C ATOM 1064 OE1 GLU A 66 5.506 12.486 2.642 1.00 0.00 O ATOM 1065 OE2 GLU A 66 6.223 14.556 2.464 1.00 0.00 O ATOM 0 H GLU A 66 9.515 11.408 3.248 1.00 0.00 H new ATOM 0 HA GLU A 66 9.055 12.088 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.015 10.973 3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.679 12.019 5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.923 13.853 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.420 12.814 2.909 1.00 0.00 H new ATOM 1138 N GLN A 71 14.148 1.810 5.088 1.00 0.00 N ATOM 1139 CA GLN A 71 15.061 1.864 3.952 1.00 0.00 C ATOM 1140 C GLN A 71 14.480 1.124 2.752 1.00 0.00 C ATOM 1141 O GLN A 71 13.848 0.076 2.884 1.00 0.00 O ATOM 1142 CB GLN A 71 16.416 1.264 4.330 1.00 0.00 C ATOM 1143 CG GLN A 71 16.344 -0.205 4.717 1.00 0.00 C ATOM 1144 CD GLN A 71 15.903 -0.409 6.153 1.00 0.00 C ATOM 1145 OE1 GLN A 71 16.411 0.239 7.068 1.00 0.00 O ATOM 1146 NE2 GLN A 71 14.953 -1.313 6.358 1.00 0.00 N ATOM 0 HA GLN A 71 15.199 2.910 3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.101 1.377 3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.836 1.830 5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.650 -0.719 4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.322 -0.663 4.573 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.560 -1.827 5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.616 -1.493 7.304 1.00 0.00 H new ATOM 1155 N PRO A 72 14.698 1.681 1.551 1.00 0.00 N ATOM 1156 CA PRO A 72 14.204 1.090 0.303 1.00 0.00 C ATOM 1157 C PRO A 72 14.932 -0.201 -0.054 1.00 0.00 C ATOM 1158 O PRO A 72 16.072 -0.433 0.351 1.00 0.00 O ATOM 1159 CB PRO A 72 14.492 2.173 -0.740 1.00 0.00 C ATOM 1160 CG PRO A 72 15.628 2.952 -0.174 1.00 0.00 C ATOM 1161 CD PRO A 72 15.443 2.930 1.318 1.00 0.00 C ATOM 0 HA PRO A 72 13.152 0.813 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.753 1.735 -1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.620 2.807 -0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.583 2.509 -0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.627 3.974 -0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.399 2.931 1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.887 3.800 1.667 1.00 0.00 H new ATOM 1169 N PRO A 73 14.261 -1.064 -0.832 1.00 0.00 N ATOM 1170 CA PRO A 73 14.826 -2.346 -1.262 1.00 0.00 C ATOM 1171 C PRO A 73 15.961 -2.173 -2.266 1.00 0.00 C ATOM 1172 O PRO A 73 16.502 -1.078 -2.422 1.00 0.00 O ATOM 1173 CB PRO A 73 13.638 -3.056 -1.916 1.00 0.00 C ATOM 1174 CG PRO A 73 12.739 -1.955 -2.363 1.00 0.00 C ATOM 1175 CD PRO A 73 12.900 -0.853 -1.352 1.00 0.00 C ATOM 0 HA PRO A 73 15.265 -2.897 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.958 -3.672 -2.757 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.134 -3.717 -1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.009 -1.611 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.704 -2.292 -2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.792 0.131 -1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.153 -0.921 -0.561 1.00 0.00 H new ATOM 1183 N ASP A 74 16.317 -3.258 -2.943 1.00 0.00 N ATOM 1184 CA ASP A 74 17.387 -3.225 -3.933 1.00 0.00 C ATOM 1185 C ASP A 74 16.883 -2.665 -5.259 1.00 0.00 C ATOM 1186 O ASP A 74 15.714 -2.821 -5.607 1.00 0.00 O ATOM 1187 CB ASP A 74 17.961 -4.628 -4.142 1.00 0.00 C ATOM 1188 CG ASP A 74 18.812 -5.086 -2.975 1.00 0.00 C ATOM 1189 OD1 ASP A 74 18.236 -5.455 -1.929 1.00 0.00 O ATOM 1190 OD2 ASP A 74 20.053 -5.076 -3.106 1.00 0.00 O ATOM 0 H ASP A 74 15.880 -4.172 -2.825 1.00 0.00 H new ATOM 0 HA ASP A 74 18.175 -2.571 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.143 -5.333 -4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.561 -4.640 -5.052 1.00 0.00 H new ATOM 1195 N GLY A 75 17.775 -2.010 -5.997 1.00 0.00 N ATOM 1196 CA GLY A 75 17.402 -1.435 -7.276 1.00 0.00 C ATOM 1197 C GLY A 75 16.099 -0.664 -7.207 1.00 0.00 C ATOM 1198 O GLY A 75 15.247 -0.790 -8.086 1.00 0.00 O ATOM 0 H GLY A 75 18.749 -1.868 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.196 -0.771 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.311 -2.230 -8.016 1.00 0.00 H new ATOM 1202 N LYS A 76 15.941 0.135 -6.157 1.00 0.00 N ATOM 1203 CA LYS A 76 14.732 0.929 -5.975 1.00 0.00 C ATOM 1204 C LYS A 76 15.052 2.259 -5.298 1.00 0.00 C ATOM 1205 O LYS A 76 15.753 2.316 -4.288 1.00 0.00 O ATOM 1206 CB LYS A 76 13.708 0.155 -5.142 1.00 0.00 C ATOM 1207 CG LYS A 76 12.913 -0.860 -5.945 1.00 0.00 C ATOM 1208 CD LYS A 76 11.641 -0.250 -6.509 1.00 0.00 C ATOM 1209 CE LYS A 76 10.576 -1.309 -6.754 1.00 0.00 C ATOM 1210 NZ LYS A 76 9.201 -0.760 -6.598 1.00 0.00 N ATOM 0 H LYS A 76 16.636 0.250 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 76 14.310 1.133 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.225 -0.360 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.018 0.862 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.527 -1.242 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.660 -1.710 -5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.258 0.500 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.866 0.264 -7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.693 -1.716 -7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.718 -2.135 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.529 -1.351 -7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.940 -0.757 -5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.172 0.212 -6.966 1.00 0.00 H new ATOM 1224 N PRO A 77 14.525 3.354 -5.866 1.00 0.00 N ATOM 1225 CA PRO A 77 14.739 4.703 -5.333 1.00 0.00 C ATOM 1226 C PRO A 77 14.018 4.923 -4.007 1.00 0.00 C ATOM 1227 O PRO A 77 13.256 4.069 -3.555 1.00 0.00 O ATOM 1228 CB PRO A 77 14.152 5.610 -6.417 1.00 0.00 C ATOM 1229 CG PRO A 77 13.143 4.764 -7.114 1.00 0.00 C ATOM 1230 CD PRO A 77 13.679 3.360 -7.071 1.00 0.00 C ATOM 0 HA PRO A 77 15.791 4.895 -5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.692 6.498 -5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.924 5.954 -7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.173 4.827 -6.620 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.999 5.095 -8.142 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.877 2.626 -7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.253 3.122 -7.966 1.00 0.00 H new ATOM 1238 N ARG A 78 14.265 6.074 -3.389 1.00 0.00 N ATOM 1239 CA ARG A 78 13.639 6.406 -2.115 1.00 0.00 C ATOM 1240 C ARG A 78 12.487 7.386 -2.313 1.00 0.00 C ATOM 1241 O ARG A 78 11.969 7.954 -1.352 1.00 0.00 O ATOM 1242 CB ARG A 78 14.671 7.004 -1.157 1.00 0.00 C ATOM 1243 CG ARG A 78 14.285 6.882 0.308 1.00 0.00 C ATOM 1244 CD ARG A 78 15.057 7.867 1.172 1.00 0.00 C ATOM 1245 NE ARG A 78 16.309 7.298 1.665 1.00 0.00 N ATOM 1246 CZ ARG A 78 16.368 6.264 2.497 1.00 0.00 C ATOM 1247 NH1 ARG A 78 15.253 5.689 2.926 1.00 0.00 N ATOM 1248 NH2 ARG A 78 17.545 5.803 2.902 1.00 0.00 N ATOM 0 H ARG A 78 14.894 6.791 -3.750 1.00 0.00 H new ATOM 0 HA ARG A 78 13.241 5.487 -1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.629 6.509 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.813 8.057 -1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.215 7.059 0.419 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.477 5.866 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.270 8.766 0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.439 8.170 2.017 1.00 0.00 H new ATOM 0 HE ARG A 78 17.185 7.717 1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.347 6.040 2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.302 4.895 3.565 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.405 6.243 2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 78 17.589 5.009 3.541 1.00 0.00 H new ATOM 1262 N ASP A 79 12.090 7.578 -3.567 1.00 0.00 N ATOM 1263 CA ASP A 79 10.998 8.489 -3.892 1.00 0.00 C ATOM 1264 C ASP A 79 9.729 7.715 -4.233 1.00 0.00 C ATOM 1265 O ASP A 79 8.641 8.288 -4.302 1.00 0.00 O ATOM 1266 CB ASP A 79 11.390 9.391 -5.063 1.00 0.00 C ATOM 1267 CG ASP A 79 12.599 10.252 -4.751 1.00 0.00 C ATOM 1268 OD1 ASP A 79 13.663 9.685 -4.429 1.00 0.00 O ATOM 1269 OD2 ASP A 79 12.479 11.493 -4.828 1.00 0.00 O ATOM 0 H ASP A 79 12.508 7.115 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 79 10.801 9.108 -3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.602 8.775 -5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.548 10.033 -5.322 1.00 0.00 H new ATOM 1274 N CYS A 80 9.876 6.412 -4.445 1.00 0.00 N ATOM 1275 CA CYS A 80 8.741 5.559 -4.781 1.00 0.00 C ATOM 1276 C CYS A 80 8.228 4.825 -3.546 1.00 0.00 C ATOM 1277 O CYS A 80 7.337 3.979 -3.638 1.00 0.00 O ATOM 1278 CB CYS A 80 9.136 4.551 -5.861 1.00 0.00 C ATOM 1279 SG CYS A 80 10.425 3.390 -5.351 1.00 0.00 S ATOM 0 H CYS A 80 10.769 5.923 -4.390 1.00 0.00 H new ATOM 0 HA CYS A 80 7.941 6.194 -5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.251 3.988 -6.158 1.00 0.00 H new ATOM 0 HB3 CYS A 80 9.479 5.094 -6.742 1.00 0.00 H new ATOM 0 HG CYS A 80 9.933 2.544 -4.495 1.00 0.00 H new ATOM 1285 N LEU A 81 8.797 5.153 -2.391 1.00 0.00 N ATOM 1286 CA LEU A 81 8.399 4.524 -1.136 1.00 0.00 C ATOM 1287 C LEU A 81 7.053 5.062 -0.660 1.00 0.00 C ATOM 1288 O LEU A 81 6.765 6.252 -0.796 1.00 0.00 O ATOM 1289 CB LEU A 81 9.464 4.760 -0.064 1.00 0.00 C ATOM 1290 CG LEU A 81 10.637 3.779 -0.055 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.761 4.299 0.827 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.180 2.406 0.415 1.00 0.00 C ATOM 0 H LEU A 81 9.535 5.851 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 81 8.300 3.453 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.860 5.768 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.981 4.727 0.913 1.00 0.00 H new ATOM 0 HG LEU A 81 11.015 3.685 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.587 3.588 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.107 5.260 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.396 4.423 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.028 1.721 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.775 2.483 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.409 2.029 -0.257 1.00 0.00 H new ATOM 1304 N LEU A 82 6.234 4.179 -0.100 1.00 0.00 N ATOM 1305 CA LEU A 82 4.918 4.565 0.399 1.00 0.00 C ATOM 1306 C LEU A 82 4.668 3.979 1.785 1.00 0.00 C ATOM 1307 O LEU A 82 4.922 2.799 2.024 1.00 0.00 O ATOM 1308 CB LEU A 82 3.828 4.102 -0.568 1.00 0.00 C ATOM 1309 CG LEU A 82 2.454 4.750 -0.392 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.373 6.050 -1.178 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.353 3.793 -0.824 1.00 0.00 C ATOM 0 H LEU A 82 6.457 3.191 0.020 1.00 0.00 H new ATOM 0 HA LEU A 82 4.890 5.652 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.169 4.291 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.714 3.023 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 82 2.314 4.979 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.388 6.497 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.138 6.740 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.535 5.846 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.383 4.271 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.489 3.532 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.398 2.889 -0.217 1.00 0.00 H new ATOM 1323 N GLN A 83 4.167 4.811 2.692 1.00 0.00 N ATOM 1324 CA GLN A 83 3.881 4.373 4.053 1.00 0.00 C ATOM 1325 C GLN A 83 2.485 4.811 4.483 1.00 0.00 C ATOM 1326 O GLN A 83 1.956 5.807 3.988 1.00 0.00 O ATOM 1327 CB GLN A 83 4.925 4.933 5.021 1.00 0.00 C ATOM 1328 CG GLN A 83 5.195 4.029 6.213 1.00 0.00 C ATOM 1329 CD GLN A 83 6.369 4.501 7.049 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.229 5.390 7.889 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.534 3.907 6.822 1.00 0.00 N ATOM 0 H GLN A 83 3.951 5.791 2.509 1.00 0.00 H new ATOM 0 HA GLN A 83 3.923 3.284 4.074 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.858 5.097 4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.590 5.905 5.381 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.304 3.983 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.389 3.016 5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.604 3.174 6.116 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.359 4.183 7.354 1.00 0.00 H new ATOM 1340 N ILE A 84 1.893 4.061 5.407 1.00 0.00 N ATOM 1341 CA ILE A 84 0.559 4.372 5.904 1.00 0.00 C ATOM 1342 C ILE A 84 0.513 4.319 7.427 1.00 0.00 C ATOM 1343 O ILE A 84 0.919 3.330 8.037 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.494 3.402 5.336 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.260 3.179 3.840 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -1.896 3.938 5.584 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.858 4.260 2.968 1.00 0.00 C ATOM 0 H ILE A 84 2.317 3.233 5.826 1.00 0.00 H new ATOM 0 HA ILE A 84 0.327 5.384 5.571 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.397 2.444 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.812 3.124 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.684 2.216 3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.629 3.242 5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.058 4.050 6.656 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.007 4.907 5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.654 4.037 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.936 4.301 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.416 5.222 3.227 1.00 0.00 H new ATOM 1359 N VAL A 85 0.015 5.391 8.036 1.00 0.00 N ATOM 1360 CA VAL A 85 -0.087 5.466 9.489 1.00 0.00 C ATOM 1361 C VAL A 85 -1.477 5.055 9.964 1.00 0.00 C ATOM 1362 O VAL A 85 -2.478 5.665 9.587 1.00 0.00 O ATOM 1363 CB VAL A 85 0.219 6.886 10.000 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.232 6.915 11.521 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.544 7.380 9.438 1.00 0.00 C ATOM 0 H VAL A 85 -0.324 6.219 7.546 1.00 0.00 H new ATOM 0 HA VAL A 85 0.652 4.775 9.895 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.569 7.555 9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.450 7.926 11.864 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.742 6.606 11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.998 6.234 11.891 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.745 8.385 9.809 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.345 6.710 9.752 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.493 7.399 8.349 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.530 4.019 10.793 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.797 3.526 11.321 1.00 0.00 C ATOM 1377 C CYS A 86 -3.169 4.252 12.609 1.00 0.00 C ATOM 1378 O CYS A 86 -2.481 5.182 13.030 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.716 2.020 11.576 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.064 1.069 10.182 1.00 0.00 S ATOM 0 H CYS A 86 -0.710 3.504 11.114 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.571 3.721 10.579 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.087 1.843 12.448 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.712 1.650 11.821 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.032 -0.192 10.494 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.264 3.823 13.229 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.729 4.435 14.467 1.00 0.00 C ATOM 1388 C ARG A 87 -4.116 3.742 15.681 1.00 0.00 C ATOM 1389 O ARG A 87 -4.251 4.212 16.810 1.00 0.00 O ATOM 1390 CB ARG A 87 -6.256 4.374 14.549 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.952 5.490 13.786 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.465 5.373 13.886 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.986 6.022 15.086 1.00 0.00 N ATOM 1394 CZ ARG A 87 -8.930 7.332 15.296 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -8.379 8.129 14.391 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -9.426 7.848 16.413 1.00 0.00 N ATOM 0 H ARG A 87 -4.845 3.054 12.894 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.413 5.478 14.468 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.594 3.414 14.160 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.557 4.418 15.596 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.634 6.455 14.180 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.652 5.458 12.739 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.922 5.821 13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.748 4.320 13.891 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.417 5.437 15.802 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.997 7.736 13.531 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.337 9.135 14.555 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.851 7.238 17.112 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.382 8.854 16.573 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.444 2.622 15.438 1.00 0.00 N ATOM 1411 CA ASP A 88 -2.810 1.863 16.510 1.00 0.00 C ATOM 1412 C ASP A 88 -1.295 2.036 16.475 1.00 0.00 C ATOM 1413 O ASP A 88 -0.546 1.071 16.619 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.169 0.381 16.397 1.00 0.00 C ATOM 1415 CG ASP A 88 -4.652 0.160 16.170 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -5.430 0.320 17.133 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -5.034 -0.172 15.028 1.00 0.00 O ATOM 0 H ASP A 88 -3.324 2.220 14.508 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.180 2.246 17.461 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.608 -0.064 15.575 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.863 -0.134 17.307 1.00 0.00 H new ATOM 1422 N GLY A 89 -0.850 3.274 16.283 1.00 0.00 N ATOM 1423 CA GLY A 89 0.574 3.551 16.231 1.00 0.00 C ATOM 1424 C GLY A 89 1.320 2.586 15.332 1.00 0.00 C ATOM 1425 O GLY A 89 2.534 2.422 15.456 1.00 0.00 O ATOM 0 H GLY A 89 -1.450 4.090 16.163 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.730 4.569 15.875 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.988 3.499 17.238 1.00 0.00 H new ATOM 1429 N LYS A 90 0.593 1.942 14.425 1.00 0.00 N ATOM 1430 CA LYS A 90 1.193 0.987 13.501 1.00 0.00 C ATOM 1431 C LYS A 90 1.659 1.682 12.226 1.00 0.00 C ATOM 1432 O LYS A 90 1.161 2.751 11.871 1.00 0.00 O ATOM 1433 CB LYS A 90 0.191 -0.118 13.156 1.00 0.00 C ATOM 1434 CG LYS A 90 0.843 -1.450 12.830 1.00 0.00 C ATOM 1435 CD LYS A 90 -0.115 -2.609 13.052 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.075 -2.770 11.884 1.00 0.00 C ATOM 1437 NZ LYS A 90 -1.590 -4.163 11.777 1.00 0.00 N ATOM 0 H LYS A 90 -0.413 2.064 14.310 1.00 0.00 H new ATOM 0 HA LYS A 90 2.061 0.543 13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.492 -0.253 13.995 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.410 0.201 12.304 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.179 -1.448 11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.728 -1.584 13.451 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.452 -3.530 13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.681 -2.444 13.969 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.912 -2.082 12.004 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.569 -2.498 10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.241 -4.231 10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.794 -4.818 11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.095 -4.414 12.651 1.00 0.00 H new ATOM 1451 N THR A 91 2.616 1.067 11.538 1.00 0.00 N ATOM 1452 CA THR A 91 3.148 1.626 10.302 1.00 0.00 C ATOM 1453 C THR A 91 3.401 0.534 9.269 1.00 0.00 C ATOM 1454 O THR A 91 4.058 -0.467 9.558 1.00 0.00 O ATOM 1455 CB THR A 91 4.460 2.394 10.552 1.00 0.00 C ATOM 1456 OG1 THR A 91 4.247 3.425 11.522 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.984 3.005 9.261 1.00 0.00 C ATOM 0 H THR A 91 3.038 0.181 11.816 1.00 0.00 H new ATOM 0 HA THR A 91 2.398 2.318 9.919 1.00 0.00 H new ATOM 0 HB THR A 91 5.201 1.689 10.929 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.086 3.907 11.676 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.911 3.542 9.463 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.173 2.214 8.535 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.244 3.697 8.859 1.00 0.00 H new ATOM 1465 N ILE A 92 2.877 0.734 8.064 1.00 0.00 N ATOM 1466 CA ILE A 92 3.049 -0.234 6.987 1.00 0.00 C ATOM 1467 C ILE A 92 3.983 0.304 5.909 1.00 0.00 C ATOM 1468 O ILE A 92 3.697 1.320 5.276 1.00 0.00 O ATOM 1469 CB ILE A 92 1.699 -0.605 6.344 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.762 -1.214 7.388 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.912 -1.570 5.187 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -0.688 -1.241 6.957 1.00 0.00 C ATOM 0 H ILE A 92 2.330 1.557 7.809 1.00 0.00 H new ATOM 0 HA ILE A 92 3.488 -1.127 7.431 1.00 0.00 H new ATOM 0 HB ILE A 92 1.237 0.302 5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.087 -2.231 7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.846 -0.647 8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.950 -1.823 4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.547 -1.102 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.392 -2.477 5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.294 -1.686 7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.030 -0.224 6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.786 -1.833 6.047 1.00 0.00 H new ATOM 1484 N SER A 93 5.100 -0.387 5.703 1.00 0.00 N ATOM 1485 CA SER A 93 6.078 0.022 4.702 1.00 0.00 C ATOM 1486 C SER A 93 5.748 -0.583 3.341 1.00 0.00 C ATOM 1487 O SER A 93 5.650 -1.803 3.198 1.00 0.00 O ATOM 1488 CB SER A 93 7.485 -0.398 5.132 1.00 0.00 C ATOM 1489 OG SER A 93 7.793 0.098 6.423 1.00 0.00 O ATOM 0 H SER A 93 5.350 -1.232 6.216 1.00 0.00 H new ATOM 0 HA SER A 93 6.041 1.108 4.616 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.560 -1.485 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.215 -0.026 4.413 1.00 0.00 H new ATOM 0 HG SER A 93 8.697 -0.185 6.675 1.00 0.00 H new ATOM 1495 N LEU A 94 5.577 0.278 2.344 1.00 0.00 N ATOM 1496 CA LEU A 94 5.257 -0.170 0.993 1.00 0.00 C ATOM 1497 C LEU A 94 6.213 0.444 -0.025 1.00 0.00 C ATOM 1498 O LEU A 94 6.914 1.412 0.272 1.00 0.00 O ATOM 1499 CB LEU A 94 3.815 0.197 0.640 1.00 0.00 C ATOM 1500 CG LEU A 94 2.746 -0.243 1.642 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.455 0.528 1.418 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.501 -1.741 1.535 1.00 0.00 C ATOM 0 H LEU A 94 5.655 1.290 2.445 1.00 0.00 H new ATOM 0 HA LEU A 94 5.368 -1.254 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.754 1.279 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.577 -0.240 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 94 3.105 -0.024 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.706 0.202 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.641 1.594 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.090 0.342 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.738 -2.037 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.163 -1.983 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.426 -2.277 1.746 1.00 0.00 H new ATOM 1514 N CYS A 95 6.235 -0.124 -1.226 1.00 0.00 N ATOM 1515 CA CYS A 95 7.105 0.368 -2.288 1.00 0.00 C ATOM 1516 C CYS A 95 6.427 0.239 -3.649 1.00 0.00 C ATOM 1517 O CYS A 95 5.794 -0.774 -3.944 1.00 0.00 O ATOM 1518 CB CYS A 95 8.428 -0.398 -2.290 1.00 0.00 C ATOM 1519 SG CYS A 95 9.831 0.553 -2.918 1.00 0.00 S ATOM 0 H CYS A 95 5.661 -0.925 -1.488 1.00 0.00 H new ATOM 0 HA CYS A 95 7.305 1.423 -2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.649 -0.723 -1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.313 -1.298 -2.894 1.00 0.00 H new ATOM 0 HG CYS A 95 10.780 -0.260 -3.277 1.00 0.00 H new ATOM 1525 N ALA A 96 6.563 1.273 -4.472 1.00 0.00 N ATOM 1526 CA ALA A 96 5.964 1.275 -5.801 1.00 0.00 C ATOM 1527 C ALA A 96 7.019 1.048 -6.879 1.00 0.00 C ATOM 1528 O ALA A 96 8.134 1.559 -6.785 1.00 0.00 O ATOM 1529 CB ALA A 96 5.229 2.584 -6.047 1.00 0.00 C ATOM 0 H ALA A 96 7.083 2.120 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 96 5.248 0.454 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.787 2.571 -7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.442 2.705 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.931 3.415 -5.972 1.00 0.00 H new ATOM 1535 N GLU A 97 6.658 0.278 -7.901 1.00 0.00 N ATOM 1536 CA GLU A 97 7.576 -0.018 -8.995 1.00 0.00 C ATOM 1537 C GLU A 97 8.429 1.202 -9.334 1.00 0.00 C ATOM 1538 O GLU A 97 9.650 1.105 -9.454 1.00 0.00 O ATOM 1539 CB GLU A 97 6.799 -0.471 -10.233 1.00 0.00 C ATOM 1540 CG GLU A 97 7.570 -1.439 -11.115 1.00 0.00 C ATOM 1541 CD GLU A 97 6.986 -1.549 -12.510 1.00 0.00 C ATOM 1542 OE1 GLU A 97 6.736 -0.497 -13.134 1.00 0.00 O ATOM 1543 OE2 GLU A 97 6.779 -2.689 -12.977 1.00 0.00 O ATOM 0 H GLU A 97 5.738 -0.152 -7.994 1.00 0.00 H new ATOM 0 HA GLU A 97 8.236 -0.824 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.869 -0.943 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.526 0.405 -10.821 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.608 -1.114 -11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.575 -2.424 -10.649 1.00 0.00 H new ATOM 1550 N SER A 98 7.775 2.349 -9.488 1.00 0.00 N ATOM 1551 CA SER A 98 8.472 3.587 -9.818 1.00 0.00 C ATOM 1552 C SER A 98 7.784 4.786 -9.173 1.00 0.00 C ATOM 1553 O SER A 98 6.647 4.689 -8.708 1.00 0.00 O ATOM 1554 CB SER A 98 8.532 3.775 -11.335 1.00 0.00 C ATOM 1555 OG SER A 98 7.233 3.927 -11.882 1.00 0.00 O ATOM 0 H SER A 98 6.764 2.447 -9.390 1.00 0.00 H new ATOM 0 HA SER A 98 9.487 3.518 -9.427 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.135 4.652 -11.572 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.024 2.916 -11.792 1.00 0.00 H new ATOM 0 HG SER A 98 6.665 3.185 -11.586 1.00 0.00 H new ATOM 1561 N THR A 99 8.481 5.917 -9.147 1.00 0.00 N ATOM 1562 CA THR A 99 7.940 7.136 -8.558 1.00 0.00 C ATOM 1563 C THR A 99 6.503 7.374 -9.011 1.00 0.00 C ATOM 1564 O THR A 99 5.602 7.537 -8.188 1.00 0.00 O ATOM 1565 CB THR A 99 8.792 8.365 -8.926 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.140 8.176 -8.482 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.219 9.628 -8.302 1.00 0.00 C ATOM 0 H THR A 99 9.422 6.015 -9.527 1.00 0.00 H new ATOM 0 HA THR A 99 7.960 7.000 -7.477 1.00 0.00 H new ATOM 0 HB THR A 99 8.779 8.477 -10.010 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.676 8.961 -8.721 1.00 0.00 H new ATOM 0 HG21 THR A 99 8.838 10.482 -8.576 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.203 9.784 -8.665 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.205 9.524 -7.217 1.00 0.00 H new ATOM 1575 N ASP A 100 6.297 7.392 -10.323 1.00 0.00 N ATOM 1576 CA ASP A 100 4.969 7.609 -10.885 1.00 0.00 C ATOM 1577 C ASP A 100 3.942 6.696 -10.221 1.00 0.00 C ATOM 1578 O ASP A 100 2.847 7.132 -9.867 1.00 0.00 O ATOM 1579 CB ASP A 100 4.985 7.366 -12.395 1.00 0.00 C ATOM 1580 CG ASP A 100 6.218 7.944 -13.061 1.00 0.00 C ATOM 1581 OD1 ASP A 100 6.641 9.051 -12.667 1.00 0.00 O ATOM 1582 OD2 ASP A 100 6.759 7.291 -13.978 1.00 0.00 O ATOM 0 H ASP A 100 7.032 7.259 -11.017 1.00 0.00 H new ATOM 0 HA ASP A 100 4.685 8.644 -10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.940 6.294 -12.588 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.094 7.808 -12.841 1.00 0.00 H new ATOM 1587 N ASP A 101 4.304 5.428 -10.057 1.00 0.00 N ATOM 1588 CA ASP A 101 3.415 4.454 -9.436 1.00 0.00 C ATOM 1589 C ASP A 101 3.092 4.851 -7.999 1.00 0.00 C ATOM 1590 O ASP A 101 1.943 4.762 -7.563 1.00 0.00 O ATOM 1591 CB ASP A 101 4.050 3.062 -9.463 1.00 0.00 C ATOM 1592 CG ASP A 101 4.009 2.434 -10.842 1.00 0.00 C ATOM 1593 OD1 ASP A 101 4.950 2.667 -11.629 1.00 0.00 O ATOM 1594 OD2 ASP A 101 3.036 1.708 -11.134 1.00 0.00 O ATOM 0 H ASP A 101 5.207 5.051 -10.346 1.00 0.00 H new ATOM 0 HA ASP A 101 2.486 4.433 -10.005 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.085 3.132 -9.129 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.530 2.415 -8.757 1.00 0.00 H new ATOM 1599 N CYS A 102 4.111 5.288 -7.268 1.00 0.00 N ATOM 1600 CA CYS A 102 3.936 5.697 -5.879 1.00 0.00 C ATOM 1601 C CYS A 102 2.978 6.880 -5.777 1.00 0.00 C ATOM 1602 O CYS A 102 1.999 6.837 -5.031 1.00 0.00 O ATOM 1603 CB CYS A 102 5.286 6.064 -5.260 1.00 0.00 C ATOM 1604 SG CYS A 102 5.264 6.177 -3.455 1.00 0.00 S ATOM 0 H CYS A 102 5.067 5.368 -7.614 1.00 0.00 H new ATOM 0 HA CYS A 102 3.508 4.858 -5.330 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.025 5.320 -5.558 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.614 7.020 -5.669 1.00 0.00 H new ATOM 0 HG CYS A 102 6.148 7.046 -3.064 1.00 0.00 H new ATOM 1610 N LEU A 103 3.267 7.935 -6.531 1.00 0.00 N ATOM 1611 CA LEU A 103 2.433 9.131 -6.525 1.00 0.00 C ATOM 1612 C LEU A 103 0.969 8.775 -6.766 1.00 0.00 C ATOM 1613 O LEU A 103 0.084 9.216 -6.033 1.00 0.00 O ATOM 1614 CB LEU A 103 2.912 10.117 -7.592 1.00 0.00 C ATOM 1615 CG LEU A 103 4.095 11.004 -7.203 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.541 11.849 -8.386 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.731 11.890 -6.020 1.00 0.00 C ATOM 0 H LEU A 103 4.073 7.986 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 103 2.518 9.598 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.185 9.552 -8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.076 10.760 -7.865 1.00 0.00 H new ATOM 0 HG LEU A 103 4.925 10.361 -6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.384 12.474 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.843 11.197 -9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.716 12.483 -8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.585 12.514 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.886 12.525 -6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.461 11.266 -5.168 1.00 0.00 H new ATOM 1629 N ALA A 104 0.723 7.974 -7.797 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.633 7.555 -8.132 1.00 0.00 C ATOM 1631 C ALA A 104 -1.355 7.003 -6.908 1.00 0.00 C ATOM 1632 O ALA A 104 -2.497 7.370 -6.632 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.604 6.516 -9.244 1.00 0.00 C ATOM 0 H ALA A 104 1.444 7.602 -8.415 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.182 8.430 -8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.623 6.212 -9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.135 6.944 -10.130 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.034 5.647 -8.915 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.683 6.120 -6.178 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.262 5.517 -4.983 1.00 0.00 C ATOM 1641 C TRP A 105 -1.508 6.569 -3.907 1.00 0.00 C ATOM 1642 O TRP A 105 -2.580 6.613 -3.302 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.342 4.422 -4.442 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.602 3.075 -5.046 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.280 2.310 -5.755 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.827 2.335 -4.995 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.323 1.140 -6.147 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.615 1.130 -5.693 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.081 2.572 -4.425 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.612 0.169 -5.837 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.069 1.617 -4.569 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.830 0.427 -5.269 1.00 0.00 C ATOM 0 H TRP A 105 0.263 5.806 -6.393 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.219 5.074 -5.257 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.694 4.703 -4.630 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.463 4.357 -3.361 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.301 2.585 -5.975 1.00 0.00 H new ATOM 0 HE1 TRP A 105 0.120 0.398 -6.689 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.274 3.485 -3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.431 -0.748 -6.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -5.042 1.791 -4.134 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.622 -0.301 -5.362 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.511 7.415 -3.674 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.619 8.468 -2.672 1.00 0.00 C ATOM 1665 C LYS A 106 -1.812 9.374 -2.961 1.00 0.00 C ATOM 1666 O LYS A 106 -2.612 9.667 -2.072 1.00 0.00 O ATOM 1667 CB LYS A 106 0.666 9.298 -2.633 1.00 0.00 C ATOM 1668 CG LYS A 106 0.520 10.611 -1.883 1.00 0.00 C ATOM 1669 CD LYS A 106 1.873 11.184 -1.495 1.00 0.00 C ATOM 1670 CE LYS A 106 1.724 12.414 -0.612 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.424 12.050 0.800 1.00 0.00 N ATOM 0 H LYS A 106 0.382 7.392 -4.166 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.769 7.996 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.455 8.709 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.985 9.506 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.016 11.329 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.081 10.455 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.454 10.426 -0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.430 11.446 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.642 13.001 -0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.926 13.046 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.330 12.915 1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.535 11.512 0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.197 11.468 1.180 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.927 9.812 -4.210 1.00 0.00 N ATOM 1686 CA PHE A 107 -3.023 10.684 -4.616 1.00 0.00 C ATOM 1687 C PHE A 107 -4.372 10.025 -4.342 1.00 0.00 C ATOM 1688 O PHE A 107 -5.248 10.617 -3.710 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.905 11.030 -6.102 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.668 11.813 -6.438 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.242 12.846 -5.619 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.930 11.515 -7.573 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.105 13.569 -5.927 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.208 12.234 -7.885 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.622 13.261 -7.061 1.00 0.00 C ATOM 0 H PHE A 107 -1.275 9.578 -4.959 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.960 11.601 -4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.911 10.108 -6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.782 11.603 -6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.805 13.089 -4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.248 10.712 -8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.215 14.374 -5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.773 11.993 -8.773 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.512 13.823 -7.302 1.00 0.00 H new ATOM 1705 N THR A 108 -4.533 8.796 -4.823 1.00 0.00 N ATOM 1706 CA THR A 108 -5.774 8.057 -4.632 1.00 0.00 C ATOM 1707 C THR A 108 -6.048 7.816 -3.152 1.00 0.00 C ATOM 1708 O THR A 108 -7.198 7.847 -2.709 1.00 0.00 O ATOM 1709 CB THR A 108 -5.739 6.702 -5.363 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.538 6.908 -6.766 1.00 0.00 O ATOM 1711 CG2 THR A 108 -7.032 5.932 -5.138 1.00 0.00 C ATOM 0 H THR A 108 -3.819 8.292 -5.348 1.00 0.00 H new ATOM 0 HA THR A 108 -6.573 8.668 -5.052 1.00 0.00 H new ATOM 0 HB THR A 108 -4.912 6.117 -4.960 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.592 7.096 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.984 4.978 -5.664 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.167 5.752 -4.072 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.872 6.513 -5.517 1.00 0.00 H new ATOM 1719 N LEU A 109 -4.987 7.575 -2.390 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.113 7.329 -0.958 1.00 0.00 C ATOM 1721 C LEU A 109 -5.447 8.617 -0.211 1.00 0.00 C ATOM 1722 O LEU A 109 -6.115 8.591 0.822 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.819 6.728 -0.407 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.425 5.359 -0.964 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.913 5.198 -0.964 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.082 4.247 -0.160 1.00 0.00 C ATOM 0 H LEU A 109 -4.029 7.545 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.928 6.621 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.005 7.426 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.913 6.644 0.676 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.777 5.292 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.651 4.218 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.464 5.974 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.538 5.286 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.791 3.280 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.761 4.311 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.166 4.352 -0.212 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.978 9.741 -0.743 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.228 11.039 -0.127 1.00 0.00 C ATOM 1740 C GLN A 110 -6.637 11.530 -0.445 1.00 0.00 C ATOM 1741 O GLN A 110 -7.296 12.142 0.396 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.198 12.063 -0.609 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.897 12.032 0.177 1.00 0.00 C ATOM 1744 CD GLN A 110 -3.021 12.689 1.538 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -4.060 13.261 1.871 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -1.961 12.609 2.333 1.00 0.00 N ATOM 0 H GLN A 110 -4.423 9.779 -1.598 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.138 10.924 0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.982 11.881 -1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.631 13.061 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.579 10.997 0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.119 12.536 -0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.121 12.125 2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.987 13.031 3.261 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.092 11.258 -1.663 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.423 11.671 -2.091 1.00 0.00 C ATOM 1757 C ASP A 111 -9.479 10.675 -1.622 1.00 0.00 C ATOM 1758 O ASP A 111 -10.663 11.002 -1.541 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.473 11.807 -3.614 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.536 12.786 -4.073 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -10.481 13.042 -3.299 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -9.423 13.295 -5.208 1.00 0.00 O ATOM 0 H ASP A 111 -6.559 10.753 -2.371 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.638 12.640 -1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.500 12.135 -3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.667 10.830 -4.057 1.00 0.00 H new ATOM 1767 N SER A 112 -9.042 9.457 -1.316 1.00 0.00 N ATOM 1768 CA SER A 112 -9.950 8.411 -0.860 1.00 0.00 C ATOM 1769 C SER A 112 -10.258 8.569 0.626 1.00 0.00 C ATOM 1770 O SER A 112 -11.268 8.067 1.118 1.00 0.00 O ATOM 1771 CB SER A 112 -9.344 7.031 -1.123 1.00 0.00 C ATOM 1772 OG SER A 112 -8.124 6.867 -0.422 1.00 0.00 O ATOM 0 H SER A 112 -8.065 9.171 -1.376 1.00 0.00 H new ATOM 0 HA SER A 112 -10.882 8.504 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.049 6.257 -0.819 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.173 6.903 -2.192 1.00 0.00 H new ATOM 0 HG SER A 112 -7.889 5.916 -0.393 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.379 9.271 1.335 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.556 9.494 2.764 1.00 0.00 C ATOM 1780 C ARG A 113 -10.386 10.749 3.020 1.00 0.00 C ATOM 1781 O ARG A 113 -11.124 10.829 4.003 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.196 9.621 3.454 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.289 10.666 2.826 1.00 0.00 C ATOM 1784 CD ARG A 113 -5.987 10.810 3.598 1.00 0.00 C ATOM 1785 NE ARG A 113 -6.162 11.580 4.827 1.00 0.00 N ATOM 1786 CZ ARG A 113 -6.283 12.902 4.854 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -6.249 13.598 3.726 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -6.438 13.532 6.012 1.00 0.00 N ATOM 0 H ARG A 113 -8.538 9.694 0.943 1.00 0.00 H new ATOM 0 HA ARG A 113 -10.088 8.637 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.353 9.872 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.694 8.654 3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.073 10.389 1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.804 11.626 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.599 9.821 3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.244 11.298 2.967 1.00 0.00 H new ATOM 0 HE ARG A 113 -6.193 11.075 5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -6.130 13.118 2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.342 14.613 3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.464 13.001 6.882 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -6.531 14.548 6.032 1.00 0.00 H new