USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 749 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 101 LYS NZ :NH3+ -129:sc= -1.22 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc= -1.64 K(o=-2.9,f=-1.3) USER MOD Set 2.1: A 59 MET CE :methyl -124:sc= -9.64! (180deg=-9.64!) USER MOD Set 2.2: A 88 MET CE :methyl 177:sc= -14.7! (180deg=-9.58!) USER MOD Set 2.3: B 72 THR OG1 : rot 85:sc= -0.654! USER MOD Set 3.1: A 51 THR OG1 : rot 55:sc= -2.06! USER MOD Set 3.2: A 97 MET CE :methyl 146:sc= -7.29! (180deg=-10.9!) USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 32 THR OG1 : rot 102:sc= 0.0671 USER MOD Single : A 3 HIS : no HE2:sc= -5.43! C(o=-5.4!,f=-4.9!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0112 (180deg=-0.131) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.836 USER MOD Single : A 28 THR OG1 : rot -150:sc= -0.124 USER MOD Single : A 31 SER OG : rot -61:sc= -1.72 USER MOD Single : A 36 LYS NZ :NH3+ 161:sc=-0.00139 (180deg=-0.276) USER MOD Single : A 38 HIS : no HD1:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 43 SER OG : rot -140:sc= -1.21 USER MOD Single : A 44 THR OG1 : rot -10:sc= -3.03! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.38 K(o=-3.4,f=-8.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 79:sc= -2.6! USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= -0.941 (180deg=-2.58!) USER MOD Single : A 58 MET CE :methyl -159:sc= -1.78 (180deg=-2.55!) USER MOD Single : A 87 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-2.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : A 93 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.7!) USER MOD Single : A 95 THR OG1 : rot 93:sc= 0.0818 USER MOD Single : A 99 ASN : amide:sc=-0.00456 X(o=-0.0046,f=-0.12) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.8!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -117:sc= 0.668 USER MOD Single : A 112 LYS NZ :NH3+ 144:sc= 1.12 (180deg=-0.281) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 1.984 -13.831 1.708 1.00 0.00 N ATOM 29 CA HIS A 3 2.283 -12.725 0.803 1.00 0.00 C ATOM 30 C HIS A 3 1.214 -12.595 -0.269 1.00 0.00 C ATOM 31 O HIS A 3 0.891 -11.491 -0.706 1.00 0.00 O ATOM 32 CB HIS A 3 3.655 -12.926 0.157 1.00 0.00 C ATOM 33 CG HIS A 3 4.793 -12.834 1.126 1.00 0.00 C ATOM 34 ND1 HIS A 3 4.831 -13.537 2.312 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.942 -12.117 1.080 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.952 -13.256 2.954 1.00 0.00 C ATOM 37 NE2 HIS A 3 6.643 -12.398 2.227 1.00 0.00 N ATOM 0 HA HIS A 3 2.296 -11.804 1.385 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.680 -13.902 -0.328 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.793 -12.178 -0.624 1.00 0.00 H new ATOM 0 HD1 HIS A 3 4.107 -14.175 2.642 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.249 -11.449 0.289 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.251 -13.660 3.910 1.00 0.00 H new ATOM 46 N SER A 4 0.664 -13.724 -0.683 1.00 0.00 N ATOM 47 CA SER A 4 -0.377 -13.729 -1.701 1.00 0.00 C ATOM 48 C SER A 4 -1.751 -13.583 -1.064 1.00 0.00 C ATOM 49 O SER A 4 -2.078 -14.263 -0.092 1.00 0.00 O ATOM 50 CB SER A 4 -0.327 -15.005 -2.538 1.00 0.00 C ATOM 51 OG SER A 4 0.998 -15.298 -2.947 1.00 0.00 O ATOM 0 H SER A 4 0.919 -14.647 -0.332 1.00 0.00 H new ATOM 0 HA SER A 4 -0.198 -12.879 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.724 -15.839 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.965 -14.893 -3.415 1.00 0.00 H new ATOM 0 HG SER A 4 1.002 -16.121 -3.480 1.00 0.00 H new ATOM 57 N GLY A 5 -2.545 -12.688 -1.626 1.00 0.00 N ATOM 58 CA GLY A 5 -3.878 -12.444 -1.123 1.00 0.00 C ATOM 59 C GLY A 5 -4.737 -11.766 -2.164 1.00 0.00 C ATOM 60 O GLY A 5 -4.276 -11.506 -3.273 1.00 0.00 O ATOM 0 H GLY A 5 -2.286 -12.119 -2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.337 -13.388 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.825 -11.822 -0.230 1.00 0.00 H new ATOM 64 N ALA A 6 -5.982 -11.477 -1.821 1.00 0.00 N ATOM 65 CA ALA A 6 -6.878 -10.822 -2.760 1.00 0.00 C ATOM 66 C ALA A 6 -7.098 -9.366 -2.379 1.00 0.00 C ATOM 67 O ALA A 6 -7.202 -9.028 -1.202 1.00 0.00 O ATOM 68 CB ALA A 6 -8.203 -11.561 -2.842 1.00 0.00 C ATOM 0 H ALA A 6 -6.392 -11.683 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.410 -10.846 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.859 -11.054 -3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.029 -12.584 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.673 -11.576 -1.859 1.00 0.00 H new ATOM 74 N ALA A 7 -7.161 -8.509 -3.389 1.00 0.00 N ATOM 75 CA ALA A 7 -7.364 -7.084 -3.171 1.00 0.00 C ATOM 76 C ALA A 7 -8.046 -6.445 -4.368 1.00 0.00 C ATOM 77 O ALA A 7 -7.977 -6.965 -5.481 1.00 0.00 O ATOM 78 CB ALA A 7 -6.036 -6.400 -2.886 1.00 0.00 C ATOM 0 H ALA A 7 -7.074 -8.777 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.014 -6.959 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.203 -5.335 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.586 -6.836 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.366 -6.538 -3.735 1.00 0.00 H new ATOM 84 N ILE A 8 -8.711 -5.320 -4.140 1.00 0.00 N ATOM 85 CA ILE A 8 -9.403 -4.632 -5.215 1.00 0.00 C ATOM 86 C ILE A 8 -9.033 -3.156 -5.269 1.00 0.00 C ATOM 87 O ILE A 8 -8.834 -2.510 -4.240 1.00 0.00 O ATOM 88 CB ILE A 8 -10.928 -4.769 -5.078 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.328 -6.240 -5.130 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.626 -3.994 -6.184 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.535 -6.567 -4.279 1.00 0.00 C ATOM 0 H ILE A 8 -8.784 -4.870 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.085 -5.107 -6.143 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.234 -4.356 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.537 -6.515 -6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.486 -6.849 -4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.706 -4.099 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.355 -2.940 -6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.318 -4.386 -7.153 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.763 -7.630 -4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.323 -6.323 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.390 -5.984 -4.621 1.00 0.00 H new ATOM 103 N PHE A 9 -8.950 -2.633 -6.485 1.00 0.00 N ATOM 104 CA PHE A 9 -8.612 -1.234 -6.700 1.00 0.00 C ATOM 105 C PHE A 9 -9.361 -0.685 -7.913 1.00 0.00 C ATOM 106 O PHE A 9 -9.563 -1.391 -8.900 1.00 0.00 O ATOM 107 CB PHE A 9 -7.103 -1.078 -6.891 1.00 0.00 C ATOM 108 CG PHE A 9 -6.679 0.333 -7.168 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.773 0.853 -8.446 1.00 0.00 C ATOM 110 CD2 PHE A 9 -6.189 1.137 -6.152 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.385 2.153 -8.709 1.00 0.00 C ATOM 112 CE2 PHE A 9 -5.800 2.438 -6.407 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.897 2.947 -7.688 1.00 0.00 C ATOM 0 H PHE A 9 -9.113 -3.161 -7.342 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.913 -0.664 -5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.593 -1.433 -5.996 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.781 -1.714 -7.715 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.154 0.237 -9.247 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.110 0.743 -5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.463 2.548 -9.711 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.421 3.056 -5.607 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.592 3.963 -7.891 1.00 0.00 H new ATOM 123 N GLU A 10 -9.779 0.576 -7.828 1.00 0.00 N ATOM 124 CA GLU A 10 -10.517 1.218 -8.912 1.00 0.00 C ATOM 125 C GLU A 10 -11.660 0.334 -9.400 1.00 0.00 C ATOM 126 O GLU A 10 -11.978 0.309 -10.589 1.00 0.00 O ATOM 127 CB GLU A 10 -9.585 1.565 -10.071 1.00 0.00 C ATOM 128 CG GLU A 10 -9.154 3.019 -10.068 1.00 0.00 C ATOM 129 CD GLU A 10 -8.247 3.364 -11.233 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.598 2.443 -11.773 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.186 4.554 -11.605 1.00 0.00 O ATOM 0 H GLU A 10 -9.618 1.174 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.944 2.141 -8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.701 0.929 -10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.086 1.342 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.038 3.656 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.637 3.238 -9.134 1.00 0.00 H new ATOM 138 N LYS A 11 -12.280 -0.380 -8.468 1.00 0.00 N ATOM 139 CA LYS A 11 -13.399 -1.259 -8.791 1.00 0.00 C ATOM 140 C LYS A 11 -12.946 -2.468 -9.607 1.00 0.00 C ATOM 141 O LYS A 11 -13.768 -3.153 -10.216 1.00 0.00 O ATOM 142 CB LYS A 11 -14.483 -0.490 -9.557 1.00 0.00 C ATOM 143 CG LYS A 11 -14.555 0.990 -9.204 1.00 0.00 C ATOM 144 CD LYS A 11 -15.919 1.574 -9.533 1.00 0.00 C ATOM 145 CE LYS A 11 -15.947 2.169 -10.932 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.179 3.442 -11.009 1.00 0.00 N ATOM 0 H LYS A 11 -12.027 -0.368 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.813 -1.621 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.299 -0.590 -10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.451 -0.949 -9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.348 1.123 -8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.784 1.534 -9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.678 0.796 -9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.172 2.344 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.532 1.451 -11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.980 2.350 -11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.437 3.951 -11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.402 4.033 -10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.160 3.233 -11.020 1.00 0.00 H new ATOM 160 N VAL A 12 -11.643 -2.740 -9.607 1.00 0.00 N ATOM 161 CA VAL A 12 -11.108 -3.880 -10.338 1.00 0.00 C ATOM 162 C VAL A 12 -10.479 -4.868 -9.370 1.00 0.00 C ATOM 163 O VAL A 12 -9.568 -4.514 -8.623 1.00 0.00 O ATOM 164 CB VAL A 12 -10.057 -3.451 -11.377 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.634 -4.638 -12.229 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.595 -2.325 -12.247 1.00 0.00 C ATOM 0 H VAL A 12 -10.943 -2.188 -9.111 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.938 -4.348 -10.866 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.179 -3.082 -10.848 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.891 -4.316 -12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.205 -5.410 -11.590 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.503 -5.040 -12.750 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.838 -2.035 -12.976 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.490 -2.664 -12.769 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.843 -1.468 -11.621 1.00 0.00 H new ATOM 176 N SER A 13 -10.975 -6.100 -9.368 1.00 0.00 N ATOM 177 CA SER A 13 -10.455 -7.115 -8.464 1.00 0.00 C ATOM 178 C SER A 13 -9.277 -7.861 -9.069 1.00 0.00 C ATOM 179 O SER A 13 -9.146 -7.974 -10.287 1.00 0.00 O ATOM 180 CB SER A 13 -11.547 -8.104 -8.066 1.00 0.00 C ATOM 181 OG SER A 13 -12.023 -8.823 -9.191 1.00 0.00 O ATOM 0 H SER A 13 -11.730 -6.417 -9.977 1.00 0.00 H new ATOM 0 HA SER A 13 -10.105 -6.596 -7.572 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.157 -8.801 -7.324 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.373 -7.569 -7.597 1.00 0.00 H new ATOM 0 HG SER A 13 -12.720 -9.450 -8.907 1.00 0.00 H new ATOM 187 N GLY A 14 -8.417 -8.350 -8.187 1.00 0.00 N ATOM 188 CA GLY A 14 -7.230 -9.070 -8.597 1.00 0.00 C ATOM 189 C GLY A 14 -6.550 -9.730 -7.418 1.00 0.00 C ATOM 190 O GLY A 14 -7.037 -9.644 -6.291 1.00 0.00 O ATOM 0 H GLY A 14 -8.525 -8.258 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.498 -9.826 -9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.536 -8.384 -9.082 1.00 0.00 H new ATOM 194 N ILE A 15 -5.423 -10.382 -7.664 1.00 0.00 N ATOM 195 CA ILE A 15 -4.691 -11.042 -6.594 1.00 0.00 C ATOM 196 C ILE A 15 -3.431 -10.255 -6.281 1.00 0.00 C ATOM 197 O ILE A 15 -2.693 -9.850 -7.179 1.00 0.00 O ATOM 198 CB ILE A 15 -4.304 -12.493 -6.954 1.00 0.00 C ATOM 199 CG1 ILE A 15 -5.419 -13.162 -7.763 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.009 -13.292 -5.690 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.225 -13.057 -9.260 1.00 0.00 C ATOM 0 H ILE A 15 -4.998 -10.468 -8.587 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.349 -11.079 -5.726 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.403 -12.468 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.477 -14.214 -7.485 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.373 -12.708 -7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.738 -14.313 -5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.184 -12.828 -5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.895 -13.308 -5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.051 -13.552 -9.770 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.197 -12.007 -9.550 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.287 -13.536 -9.540 1.00 0.00 H new ATOM 213 N ILE A 16 -3.217 -10.013 -4.998 1.00 0.00 N ATOM 214 CA ILE A 16 -2.079 -9.238 -4.535 1.00 0.00 C ATOM 215 C ILE A 16 -1.017 -10.147 -3.914 1.00 0.00 C ATOM 216 O ILE A 16 -1.317 -10.928 -3.014 1.00 0.00 O ATOM 217 CB ILE A 16 -2.544 -8.200 -3.492 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.372 -7.364 -2.983 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.259 -8.885 -2.335 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.809 -6.053 -2.370 1.00 0.00 C ATOM 0 H ILE A 16 -3.825 -10.347 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.640 -8.727 -5.392 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.247 -7.526 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.817 -7.939 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.689 -7.164 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.579 -8.136 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.130 -9.421 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.580 -9.589 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.933 -5.502 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.340 -5.462 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.469 -6.249 -1.525 1.00 0.00 H new ATOM 232 N ALA A 17 0.223 -10.061 -4.402 1.00 0.00 N ATOM 233 CA ALA A 17 1.291 -10.906 -3.873 1.00 0.00 C ATOM 234 C ALA A 17 2.587 -10.129 -3.670 1.00 0.00 C ATOM 235 O ALA A 17 2.976 -9.325 -4.514 1.00 0.00 O ATOM 236 CB ALA A 17 1.528 -12.090 -4.799 1.00 0.00 C ATOM 0 H ALA A 17 0.507 -9.427 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 17 0.970 -11.268 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.326 -12.713 -4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.614 -12.678 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.814 -11.728 -5.786 1.00 0.00 H new ATOM 242 N ILE A 18 3.256 -10.388 -2.545 1.00 0.00 N ATOM 243 CA ILE A 18 4.518 -9.725 -2.225 1.00 0.00 C ATOM 244 C ILE A 18 5.708 -10.548 -2.710 1.00 0.00 C ATOM 245 O ILE A 18 5.684 -11.778 -2.681 1.00 0.00 O ATOM 246 CB ILE A 18 4.661 -9.478 -0.710 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.523 -8.590 -0.209 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.009 -8.843 -0.392 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.972 -9.023 1.128 1.00 0.00 C ATOM 0 H ILE A 18 2.942 -11.054 -1.839 1.00 0.00 H new ATOM 0 HA ILE A 18 4.508 -8.764 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 18 4.607 -10.439 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.880 -7.563 -0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.718 -8.593 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.089 -8.677 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.810 -9.507 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.094 -7.890 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.168 -8.350 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.585 -10.039 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.765 -8.993 1.875 1.00 0.00 H new ATOM 261 N ASN A 19 6.744 -9.851 -3.155 1.00 0.00 N ATOM 262 CA ASN A 19 7.955 -10.492 -3.652 1.00 0.00 C ATOM 263 C ASN A 19 9.175 -10.009 -2.886 1.00 0.00 C ATOM 264 O ASN A 19 9.586 -8.854 -3.014 1.00 0.00 O ATOM 265 CB ASN A 19 8.132 -10.205 -5.144 1.00 0.00 C ATOM 266 CG ASN A 19 7.460 -11.247 -6.016 1.00 0.00 C ATOM 267 OD1 ASN A 19 6.303 -11.092 -6.409 1.00 0.00 O ATOM 268 ND2 ASN A 19 8.183 -12.317 -6.324 1.00 0.00 N ATOM 0 H ASN A 19 6.770 -8.832 -3.182 1.00 0.00 H new ATOM 0 HA ASN A 19 7.855 -11.567 -3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.720 -9.222 -5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.195 -10.168 -5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.783 -13.052 -6.908 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.138 -12.404 -5.977 1.00 0.00 H new ATOM 275 N GLU A 20 9.757 -10.910 -2.102 1.00 0.00 N ATOM 276 CA GLU A 20 10.945 -10.593 -1.325 1.00 0.00 C ATOM 277 C GLU A 20 12.164 -11.245 -1.955 1.00 0.00 C ATOM 278 O GLU A 20 13.143 -11.560 -1.279 1.00 0.00 O ATOM 279 CB GLU A 20 10.783 -11.053 0.125 1.00 0.00 C ATOM 280 CG GLU A 20 10.214 -9.983 1.042 1.00 0.00 C ATOM 281 CD GLU A 20 11.275 -9.334 1.909 1.00 0.00 C ATOM 282 OE1 GLU A 20 11.975 -10.066 2.639 1.00 0.00 O ATOM 283 OE2 GLU A 20 11.405 -8.093 1.858 1.00 0.00 O ATOM 0 H GLU A 20 9.423 -11.867 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 20 11.082 -9.512 -1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.130 -11.926 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.753 -11.369 0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.723 -9.218 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.449 -10.426 1.680 1.00 0.00 H new ATOM 290 N ASP A 21 12.086 -11.435 -3.263 1.00 0.00 N ATOM 291 CA ASP A 21 13.171 -12.040 -4.023 1.00 0.00 C ATOM 292 C ASP A 21 13.996 -10.965 -4.720 1.00 0.00 C ATOM 293 O ASP A 21 15.170 -11.171 -5.030 1.00 0.00 O ATOM 294 CB ASP A 21 12.616 -13.026 -5.052 1.00 0.00 C ATOM 295 CG ASP A 21 12.477 -14.428 -4.494 1.00 0.00 C ATOM 296 OD1 ASP A 21 13.477 -14.958 -3.965 1.00 0.00 O ATOM 297 OD2 ASP A 21 11.369 -14.996 -4.585 1.00 0.00 O ATOM 0 H ASP A 21 11.275 -11.177 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 21 13.816 -12.582 -3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.643 -12.677 -5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.273 -13.048 -5.921 1.00 0.00 H new ATOM 302 N VAL A 22 13.376 -9.812 -4.956 1.00 0.00 N ATOM 303 CA VAL A 22 14.059 -8.698 -5.609 1.00 0.00 C ATOM 304 C VAL A 22 14.519 -7.676 -4.575 1.00 0.00 C ATOM 305 O VAL A 22 14.085 -7.711 -3.424 1.00 0.00 O ATOM 306 CB VAL A 22 13.166 -7.992 -6.659 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.647 -8.307 -8.067 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.701 -8.378 -6.496 1.00 0.00 C ATOM 0 H VAL A 22 12.405 -9.624 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 22 14.920 -9.120 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 22 13.246 -6.918 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.008 -7.802 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.674 -7.961 -8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.605 -9.383 -8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.103 -7.864 -7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.593 -9.456 -6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.357 -8.091 -5.502 1.00 0.00 H new ATOM 318 N SER A 23 15.401 -6.765 -4.984 1.00 0.00 N ATOM 319 CA SER A 23 15.909 -5.741 -4.075 1.00 0.00 C ATOM 320 C SER A 23 14.759 -5.053 -3.342 1.00 0.00 C ATOM 321 O SER A 23 14.614 -5.206 -2.129 1.00 0.00 O ATOM 322 CB SER A 23 16.749 -4.709 -4.830 1.00 0.00 C ATOM 323 OG SER A 23 16.626 -4.874 -6.232 1.00 0.00 O ATOM 0 H SER A 23 15.776 -6.716 -5.931 1.00 0.00 H new ATOM 0 HA SER A 23 16.547 -6.231 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.433 -3.704 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.795 -4.806 -4.540 1.00 0.00 H new ATOM 0 HG SER A 23 17.172 -4.201 -6.690 1.00 0.00 H new ATOM 329 N PRO A 24 13.909 -4.300 -4.065 1.00 0.00 N ATOM 330 CA PRO A 24 12.770 -3.622 -3.459 1.00 0.00 C ATOM 331 C PRO A 24 11.612 -4.574 -3.243 1.00 0.00 C ATOM 332 O PRO A 24 10.723 -4.680 -4.089 1.00 0.00 O ATOM 333 CB PRO A 24 12.386 -2.577 -4.495 1.00 0.00 C ATOM 334 CG PRO A 24 12.769 -3.193 -5.798 1.00 0.00 C ATOM 335 CD PRO A 24 13.972 -4.064 -5.522 1.00 0.00 C ATOM 0 HA PRO A 24 13.011 -3.205 -2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.320 -2.354 -4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.914 -1.638 -4.328 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.948 -3.783 -6.205 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.006 -2.426 -6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.926 -4.999 -6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.899 -3.567 -5.807 1.00 0.00 H new ATOM 343 N ALA A 25 11.619 -5.266 -2.112 1.00 0.00 N ATOM 344 CA ALA A 25 10.549 -6.207 -1.798 1.00 0.00 C ATOM 345 C ALA A 25 9.211 -5.556 -2.079 1.00 0.00 C ATOM 346 O ALA A 25 8.720 -4.764 -1.286 1.00 0.00 O ATOM 347 CB ALA A 25 10.624 -6.663 -0.355 1.00 0.00 C ATOM 0 H ALA A 25 12.347 -5.196 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 25 10.664 -7.090 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.814 -7.363 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.581 -7.154 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.532 -5.800 0.305 1.00 0.00 H new ATOM 353 N GLU A 26 8.659 -5.866 -3.235 1.00 0.00 N ATOM 354 CA GLU A 26 7.399 -5.276 -3.666 1.00 0.00 C ATOM 355 C GLU A 26 6.335 -6.335 -3.911 1.00 0.00 C ATOM 356 O GLU A 26 6.629 -7.526 -3.918 1.00 0.00 O ATOM 357 CB GLU A 26 7.632 -4.448 -4.923 1.00 0.00 C ATOM 358 CG GLU A 26 8.372 -5.196 -6.020 1.00 0.00 C ATOM 359 CD GLU A 26 7.827 -4.895 -7.402 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.738 -3.701 -7.758 1.00 0.00 O ATOM 361 OE2 GLU A 26 7.488 -5.853 -8.128 1.00 0.00 O ATOM 0 H GLU A 26 9.063 -6.527 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 26 7.031 -4.631 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.670 -4.113 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.198 -3.555 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.429 -4.932 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.305 -6.268 -5.833 1.00 0.00 H new ATOM 368 N LEU A 27 5.094 -5.895 -4.108 1.00 0.00 N ATOM 369 CA LEU A 27 3.998 -6.810 -4.341 1.00 0.00 C ATOM 370 C LEU A 27 3.266 -6.461 -5.625 1.00 0.00 C ATOM 371 O LEU A 27 3.105 -5.287 -5.960 1.00 0.00 O ATOM 372 CB LEU A 27 3.023 -6.794 -3.160 1.00 0.00 C ATOM 373 CG LEU A 27 2.463 -5.417 -2.795 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.429 -4.967 -3.817 1.00 0.00 C ATOM 375 CD2 LEU A 27 1.856 -5.446 -1.400 1.00 0.00 C ATOM 0 H LEU A 27 4.831 -4.910 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 27 4.413 -7.813 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.190 -7.458 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.529 -7.206 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 27 3.284 -4.700 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.044 -3.986 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.892 -4.908 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.609 -5.684 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.462 -4.460 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.048 -6.177 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.622 -5.721 -0.675 1.00 0.00 H new ATOM 387 N THR A 28 2.831 -7.482 -6.347 1.00 0.00 N ATOM 388 CA THR A 28 2.130 -7.279 -7.588 1.00 0.00 C ATOM 389 C THR A 28 0.658 -7.597 -7.459 1.00 0.00 C ATOM 390 O THR A 28 0.254 -8.452 -6.670 1.00 0.00 O ATOM 391 CB THR A 28 2.728 -8.129 -8.679 1.00 0.00 C ATOM 392 OG1 THR A 28 2.976 -9.448 -8.227 1.00 0.00 O ATOM 393 CG2 THR A 28 4.008 -7.572 -9.220 1.00 0.00 C ATOM 0 H THR A 28 2.956 -8.460 -6.087 1.00 0.00 H new ATOM 0 HA THR A 28 2.234 -6.225 -7.845 1.00 0.00 H new ATOM 0 HB THR A 28 1.986 -8.135 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.742 -9.821 -8.711 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.389 -8.229 -10.002 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.827 -6.581 -9.635 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.742 -7.500 -8.417 1.00 0.00 H new ATOM 401 N TRP A 29 -0.135 -6.894 -8.243 1.00 0.00 N ATOM 402 CA TRP A 29 -1.576 -7.084 -8.230 1.00 0.00 C ATOM 403 C TRP A 29 -2.109 -7.414 -9.622 1.00 0.00 C ATOM 404 O TRP A 29 -2.146 -6.556 -10.495 1.00 0.00 O ATOM 405 CB TRP A 29 -2.253 -5.826 -7.704 1.00 0.00 C ATOM 406 CG TRP A 29 -3.722 -5.992 -7.532 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.360 -6.510 -6.447 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.737 -5.647 -8.476 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.714 -6.506 -6.654 1.00 0.00 N ATOM 410 CE2 TRP A 29 -5.972 -5.980 -7.892 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.723 -5.086 -9.757 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.181 -5.771 -8.542 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.928 -4.880 -10.404 1.00 0.00 C ATOM 414 CH2 TRP A 29 -7.143 -5.222 -9.795 1.00 0.00 C ATOM 0 H TRP A 29 0.192 -6.185 -8.899 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.801 -7.926 -7.576 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.808 -5.552 -6.747 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.063 -5.002 -8.391 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.871 -6.871 -5.554 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.416 -6.840 -5.994 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.790 -4.819 -10.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.119 -6.033 -8.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.933 -4.449 -11.394 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.068 -5.049 -10.325 1.00 0.00 H new ATOM 425 N ARG A 30 -2.532 -8.657 -9.823 1.00 0.00 N ATOM 426 CA ARG A 30 -3.067 -9.079 -11.117 1.00 0.00 C ATOM 427 C ARG A 30 -4.570 -9.324 -11.030 1.00 0.00 C ATOM 428 O ARG A 30 -5.036 -10.064 -10.166 1.00 0.00 O ATOM 429 CB ARG A 30 -2.361 -10.348 -11.603 1.00 0.00 C ATOM 430 CG ARG A 30 -0.892 -10.426 -11.208 1.00 0.00 C ATOM 431 CD ARG A 30 -0.651 -11.486 -10.143 1.00 0.00 C ATOM 432 NE ARG A 30 0.263 -12.528 -10.605 1.00 0.00 N ATOM 433 CZ ARG A 30 1.586 -12.390 -10.646 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.154 -11.256 -10.253 1.00 0.00 N ATOM 435 NH2 ARG A 30 2.344 -13.387 -11.081 1.00 0.00 N ATOM 0 H ARG A 30 -2.516 -9.388 -9.112 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.886 -8.277 -11.832 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.882 -11.218 -11.202 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.439 -10.402 -12.689 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.290 -10.651 -12.088 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.563 -9.456 -10.837 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.242 -11.015 -9.249 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.602 -11.937 -9.859 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.137 -13.414 -10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.576 -10.485 -9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.168 -11.155 -10.286 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.913 -14.260 -11.384 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.358 -13.281 -11.112 1.00 0.00 H new ATOM 449 N SER A 31 -5.329 -8.698 -11.928 1.00 0.00 N ATOM 450 CA SER A 31 -6.779 -8.856 -11.936 1.00 0.00 C ATOM 451 C SER A 31 -7.173 -10.322 -12.087 1.00 0.00 C ATOM 452 O SER A 31 -6.397 -11.137 -12.587 1.00 0.00 O ATOM 453 CB SER A 31 -7.402 -8.035 -13.065 1.00 0.00 C ATOM 454 OG SER A 31 -6.666 -8.181 -14.266 1.00 0.00 O ATOM 0 H SER A 31 -4.965 -8.081 -12.654 1.00 0.00 H new ATOM 0 HA SER A 31 -7.156 -8.493 -10.980 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.432 -8.353 -13.225 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.434 -6.983 -12.780 1.00 0.00 H new ATOM 0 HG SER A 31 -5.752 -7.854 -14.131 1.00 0.00 H new ATOM 460 N THR A 32 -8.386 -10.647 -11.654 1.00 0.00 N ATOM 461 CA THR A 32 -8.891 -12.012 -11.742 1.00 0.00 C ATOM 462 C THR A 32 -9.605 -12.245 -13.070 1.00 0.00 C ATOM 463 O THR A 32 -9.716 -13.379 -13.537 1.00 0.00 O ATOM 464 CB THR A 32 -9.840 -12.306 -10.578 1.00 0.00 C ATOM 465 OG1 THR A 32 -10.132 -11.124 -9.854 1.00 0.00 O ATOM 466 CG2 THR A 32 -9.288 -13.319 -9.598 1.00 0.00 C ATOM 0 H THR A 32 -9.039 -9.983 -11.238 1.00 0.00 H new ATOM 0 HA THR A 32 -8.040 -12.691 -11.685 1.00 0.00 H new ATOM 0 HB THR A 32 -10.738 -12.718 -11.037 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.019 -10.795 -10.109 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.010 -13.482 -8.798 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.101 -14.260 -10.115 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.356 -12.945 -9.175 1.00 0.00 H new ATOM 505 N LYS A 36 -5.441 -7.231 -16.313 1.00 0.00 N ATOM 506 CA LYS A 36 -4.609 -6.111 -15.892 1.00 0.00 C ATOM 507 C LYS A 36 -3.742 -6.502 -14.704 1.00 0.00 C ATOM 508 O LYS A 36 -4.031 -7.470 -14.000 1.00 0.00 O ATOM 509 CB LYS A 36 -5.472 -4.902 -15.530 1.00 0.00 C ATOM 510 CG LYS A 36 -6.394 -5.142 -14.347 1.00 0.00 C ATOM 511 CD LYS A 36 -7.847 -5.240 -14.783 1.00 0.00 C ATOM 512 CE LYS A 36 -8.475 -3.865 -14.943 1.00 0.00 C ATOM 513 NZ LYS A 36 -9.894 -3.950 -15.389 1.00 0.00 N ATOM 0 HA LYS A 36 -3.961 -5.842 -16.726 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.822 -4.056 -15.307 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.072 -4.623 -16.396 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.103 -6.061 -13.838 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.283 -4.331 -13.628 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.909 -5.781 -15.727 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.410 -5.815 -14.048 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.424 -3.330 -13.995 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.901 -3.286 -15.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.377 -3.053 -15.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.926 -4.132 -16.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.371 -4.724 -14.884 1.00 0.00 H new ATOM 527 N VAL A 37 -2.677 -5.742 -14.487 1.00 0.00 N ATOM 528 CA VAL A 37 -1.765 -6.005 -13.385 1.00 0.00 C ATOM 529 C VAL A 37 -1.203 -4.708 -12.819 1.00 0.00 C ATOM 530 O VAL A 37 -0.889 -3.779 -13.563 1.00 0.00 O ATOM 531 CB VAL A 37 -0.588 -6.915 -13.806 1.00 0.00 C ATOM 532 CG1 VAL A 37 -0.192 -7.838 -12.663 1.00 0.00 C ATOM 533 CG2 VAL A 37 -0.936 -7.720 -15.052 1.00 0.00 C ATOM 0 H VAL A 37 -2.424 -4.938 -15.061 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.349 -6.520 -12.622 1.00 0.00 H new ATOM 0 HB VAL A 37 0.263 -6.278 -14.046 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.638 -8.471 -12.977 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.112 -7.242 -11.803 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.042 -8.463 -12.389 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.090 -8.351 -15.325 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.805 -8.346 -14.850 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.162 -7.040 -15.873 1.00 0.00 H new ATOM 543 N HIS A 38 -1.061 -4.659 -11.503 1.00 0.00 N ATOM 544 CA HIS A 38 -0.518 -3.487 -10.839 1.00 0.00 C ATOM 545 C HIS A 38 0.573 -3.901 -9.862 1.00 0.00 C ATOM 546 O HIS A 38 0.302 -4.501 -8.824 1.00 0.00 O ATOM 547 CB HIS A 38 -1.624 -2.730 -10.101 1.00 0.00 C ATOM 548 CG HIS A 38 -1.330 -1.274 -9.914 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.350 -0.655 -8.681 1.00 0.00 N ATOM 550 CD2 HIS A 38 -1.008 -0.312 -10.811 1.00 0.00 C ATOM 551 CE1 HIS A 38 -1.053 0.624 -8.829 1.00 0.00 C ATOM 552 NE2 HIS A 38 -0.840 0.857 -10.111 1.00 0.00 N ATOM 0 H HIS A 38 -1.315 -5.420 -10.874 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.089 -2.827 -11.593 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.557 -2.836 -10.654 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.779 -3.189 -9.125 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.903 -0.440 -11.878 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.994 1.355 -8.036 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.591 1.759 -10.516 1.00 0.00 H new ATOM 561 N THR A 39 1.806 -3.568 -10.206 1.00 0.00 N ATOM 562 CA THR A 39 2.955 -3.894 -9.371 1.00 0.00 C ATOM 563 C THR A 39 3.339 -2.691 -8.518 1.00 0.00 C ATOM 564 O THR A 39 3.888 -1.714 -9.027 1.00 0.00 O ATOM 565 CB THR A 39 4.143 -4.281 -10.255 1.00 0.00 C ATOM 566 OG1 THR A 39 3.743 -5.183 -11.271 1.00 0.00 O ATOM 567 CG2 THR A 39 5.281 -4.918 -9.488 1.00 0.00 C ATOM 0 H THR A 39 2.040 -3.068 -11.064 1.00 0.00 H new ATOM 0 HA THR A 39 2.692 -4.729 -8.722 1.00 0.00 H new ATOM 0 HB THR A 39 4.500 -3.344 -10.682 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.517 -5.416 -11.825 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.089 -5.167 -10.176 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.648 -4.220 -8.735 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.927 -5.826 -9.000 1.00 0.00 H new ATOM 575 N VAL A 40 3.061 -2.761 -7.224 1.00 0.00 N ATOM 576 CA VAL A 40 3.398 -1.666 -6.325 1.00 0.00 C ATOM 577 C VAL A 40 4.741 -1.917 -5.663 1.00 0.00 C ATOM 578 O VAL A 40 4.885 -2.854 -4.877 1.00 0.00 O ATOM 579 CB VAL A 40 2.335 -1.472 -5.230 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.628 -0.210 -4.428 1.00 0.00 C ATOM 581 CG2 VAL A 40 0.940 -1.422 -5.838 1.00 0.00 C ATOM 0 H VAL A 40 2.607 -3.557 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 40 3.441 -0.761 -6.932 1.00 0.00 H new ATOM 0 HB VAL A 40 2.373 -2.324 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.868 -0.085 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.609 -0.295 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.617 0.654 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.203 -1.284 -5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.879 -0.590 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.738 -2.356 -6.363 1.00 0.00 H new ATOM 591 N VAL A 41 5.727 -1.086 -5.979 1.00 0.00 N ATOM 592 CA VAL A 41 7.044 -1.255 -5.394 1.00 0.00 C ATOM 593 C VAL A 41 7.069 -0.759 -3.957 1.00 0.00 C ATOM 594 O VAL A 41 7.199 0.436 -3.694 1.00 0.00 O ATOM 595 CB VAL A 41 8.157 -0.564 -6.207 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.967 0.943 -6.221 1.00 0.00 C ATOM 597 CG2 VAL A 41 9.528 -0.940 -5.649 1.00 0.00 C ATOM 0 H VAL A 41 5.639 -0.302 -6.626 1.00 0.00 H new ATOM 0 HA VAL A 41 7.248 -2.326 -5.412 1.00 0.00 H new ATOM 0 HB VAL A 41 8.098 -0.912 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.766 1.405 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.005 1.184 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.994 1.323 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.306 -0.446 -6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.597 -0.623 -4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.661 -2.020 -5.708 1.00 0.00 H new ATOM 607 N LEU A 42 6.947 -1.701 -3.031 1.00 0.00 N ATOM 608 CA LEU A 42 6.957 -1.400 -1.606 1.00 0.00 C ATOM 609 C LEU A 42 8.161 -0.543 -1.229 1.00 0.00 C ATOM 610 O LEU A 42 8.166 0.113 -0.187 1.00 0.00 O ATOM 611 CB LEU A 42 6.991 -2.701 -0.815 1.00 0.00 C ATOM 612 CG LEU A 42 5.788 -3.624 -1.039 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.096 -5.046 -0.580 1.00 0.00 C ATOM 614 CD2 LEU A 42 4.564 -3.081 -0.319 1.00 0.00 C ATOM 0 H LEU A 42 6.839 -2.692 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 42 6.053 -0.839 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.900 -3.243 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.055 -2.462 0.247 1.00 0.00 H new ATOM 0 HG LEU A 42 5.577 -3.656 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.226 -5.680 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.944 -5.435 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.339 -5.041 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.718 -3.747 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.769 -3.017 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.327 -2.089 -0.703 1.00 0.00 H new ATOM 626 N SER A 43 9.179 -0.548 -2.084 1.00 0.00 N ATOM 627 CA SER A 43 10.382 0.234 -1.837 1.00 0.00 C ATOM 628 C SER A 43 10.029 1.704 -1.775 1.00 0.00 C ATOM 629 O SER A 43 10.315 2.390 -0.794 1.00 0.00 O ATOM 630 CB SER A 43 11.428 -0.016 -2.925 1.00 0.00 C ATOM 631 OG SER A 43 12.590 -0.622 -2.385 1.00 0.00 O ATOM 0 H SER A 43 9.194 -1.084 -2.952 1.00 0.00 H new ATOM 0 HA SER A 43 10.809 -0.074 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.006 -0.657 -3.699 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.694 0.927 -3.402 1.00 0.00 H new ATOM 0 HG SER A 43 13.386 -0.234 -2.804 1.00 0.00 H new ATOM 637 N THR A 44 9.372 2.168 -2.821 1.00 0.00 N ATOM 638 CA THR A 44 8.932 3.538 -2.891 1.00 0.00 C ATOM 639 C THR A 44 7.910 3.794 -1.795 1.00 0.00 C ATOM 640 O THR A 44 7.750 4.923 -1.332 1.00 0.00 O ATOM 641 CB THR A 44 8.324 3.821 -4.259 1.00 0.00 C ATOM 642 OG1 THR A 44 7.269 2.918 -4.536 1.00 0.00 O ATOM 643 CG2 THR A 44 9.324 3.729 -5.392 1.00 0.00 C ATOM 0 H THR A 44 9.132 1.606 -3.638 1.00 0.00 H new ATOM 0 HA THR A 44 9.784 4.202 -2.748 1.00 0.00 H new ATOM 0 HB THR A 44 7.959 4.847 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.258 2.210 -3.858 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.824 3.942 -6.337 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.122 4.454 -5.233 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.747 2.725 -5.423 1.00 0.00 H new ATOM 651 N ILE A 45 7.225 2.729 -1.370 1.00 0.00 N ATOM 652 CA ILE A 45 6.231 2.853 -0.312 1.00 0.00 C ATOM 653 C ILE A 45 6.909 3.080 1.035 1.00 0.00 C ATOM 654 O ILE A 45 7.822 2.346 1.412 1.00 0.00 O ATOM 655 CB ILE A 45 5.329 1.609 -0.220 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.768 1.259 -1.600 1.00 0.00 C ATOM 657 CG2 ILE A 45 4.201 1.852 0.774 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.715 0.173 -1.568 1.00 0.00 C ATOM 0 H ILE A 45 7.341 1.785 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 45 5.607 3.711 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 45 5.924 0.766 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.339 2.156 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.586 0.941 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.569 0.966 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.622 2.062 1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.604 2.703 0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.363 -0.022 -2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.144 -0.738 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.878 0.496 -0.949 1.00 0.00 H new ATOM 670 N ASP A 46 6.464 4.107 1.750 1.00 0.00 N ATOM 671 CA ASP A 46 7.038 4.437 3.051 1.00 0.00 C ATOM 672 C ASP A 46 6.043 4.184 4.179 1.00 0.00 C ATOM 673 O ASP A 46 6.434 3.973 5.327 1.00 0.00 O ATOM 674 CB ASP A 46 7.487 5.900 3.073 1.00 0.00 C ATOM 675 CG ASP A 46 8.864 6.072 3.683 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.782 5.317 3.301 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.024 6.963 4.544 1.00 0.00 O ATOM 0 H ASP A 46 5.709 4.725 1.452 1.00 0.00 H new ATOM 0 HA ASP A 46 7.901 3.790 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.492 6.291 2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.766 6.490 3.638 1.00 0.00 H new ATOM 682 N LYS A 47 4.756 4.210 3.850 1.00 0.00 N ATOM 683 CA LYS A 47 3.713 3.985 4.841 1.00 0.00 C ATOM 684 C LYS A 47 2.855 2.783 4.463 1.00 0.00 C ATOM 685 O LYS A 47 2.621 2.518 3.285 1.00 0.00 O ATOM 686 CB LYS A 47 2.837 5.231 4.985 1.00 0.00 C ATOM 687 CG LYS A 47 3.008 5.944 6.316 1.00 0.00 C ATOM 688 CD LYS A 47 2.516 7.380 6.246 1.00 0.00 C ATOM 689 CE LYS A 47 2.039 7.872 7.603 1.00 0.00 C ATOM 690 NZ LYS A 47 1.924 9.356 7.647 1.00 0.00 N ATOM 0 H LYS A 47 4.412 4.384 2.906 1.00 0.00 H new ATOM 0 HA LYS A 47 4.193 3.778 5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.071 5.925 4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.792 4.946 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.459 5.408 7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.059 5.932 6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.319 8.024 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.702 7.452 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.071 7.426 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.733 7.539 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.596 9.651 8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.853 9.782 7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.242 9.673 6.928 1.00 0.00 H new ATOM 704 N LEU A 48 2.387 2.066 5.475 1.00 0.00 N ATOM 705 CA LEU A 48 1.548 0.894 5.262 1.00 0.00 C ATOM 706 C LEU A 48 0.274 1.000 6.090 1.00 0.00 C ATOM 707 O LEU A 48 0.317 1.351 7.269 1.00 0.00 O ATOM 708 CB LEU A 48 2.313 -0.381 5.623 1.00 0.00 C ATOM 709 CG LEU A 48 2.416 -1.409 4.497 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.563 -1.064 3.558 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.594 -2.805 5.070 1.00 0.00 C ATOM 0 H LEU A 48 2.575 2.276 6.455 1.00 0.00 H new ATOM 0 HA LEU A 48 1.275 0.848 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.320 -0.107 5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.827 -0.849 6.479 1.00 0.00 H new ATOM 0 HG LEU A 48 1.489 -1.387 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.619 -1.808 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.393 -0.080 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.500 -1.057 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.666 -3.526 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.505 -2.840 5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.739 -3.052 5.699 1.00 0.00 H new ATOM 723 N GLN A 49 -0.861 0.711 5.465 1.00 0.00 N ATOM 724 CA GLN A 49 -2.144 0.794 6.149 1.00 0.00 C ATOM 725 C GLN A 49 -2.920 -0.515 6.066 1.00 0.00 C ATOM 726 O GLN A 49 -3.038 -1.118 5.002 1.00 0.00 O ATOM 727 CB GLN A 49 -2.990 1.915 5.550 1.00 0.00 C ATOM 728 CG GLN A 49 -2.686 3.294 6.111 1.00 0.00 C ATOM 729 CD GLN A 49 -1.371 3.854 5.605 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.674 3.217 4.815 1.00 0.00 O ATOM 731 NE2 GLN A 49 -1.026 5.054 6.056 1.00 0.00 N ATOM 0 H GLN A 49 -0.919 0.418 4.490 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.935 1.002 7.198 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.838 1.933 4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.043 1.690 5.720 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.493 3.976 5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.659 3.241 7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.634 5.547 6.710 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.153 5.483 5.748 1.00 0.00 H new ATOM 740 N ALA A 50 -3.465 -0.923 7.203 1.00 0.00 N ATOM 741 CA ALA A 50 -4.268 -2.136 7.304 1.00 0.00 C ATOM 742 C ALA A 50 -5.321 -1.959 8.386 1.00 0.00 C ATOM 743 O ALA A 50 -5.097 -1.231 9.348 1.00 0.00 O ATOM 744 CB ALA A 50 -3.397 -3.340 7.606 1.00 0.00 C ATOM 0 H ALA A 50 -3.363 -0.421 8.085 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.760 -2.311 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.020 -4.231 7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.666 -3.470 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.877 -3.185 8.552 1.00 0.00 H new ATOM 750 N THR A 51 -6.472 -2.599 8.234 1.00 0.00 N ATOM 751 CA THR A 51 -7.528 -2.454 9.230 1.00 0.00 C ATOM 752 C THR A 51 -7.560 -3.619 10.222 1.00 0.00 C ATOM 753 O THR A 51 -8.112 -4.682 9.935 1.00 0.00 O ATOM 754 CB THR A 51 -8.884 -2.310 8.553 1.00 0.00 C ATOM 755 OG1 THR A 51 -9.361 -3.566 8.113 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.854 -1.380 7.362 1.00 0.00 C ATOM 0 H THR A 51 -6.697 -3.211 7.450 1.00 0.00 H new ATOM 0 HA THR A 51 -7.306 -1.549 9.796 1.00 0.00 H new ATOM 0 HB THR A 51 -9.545 -1.886 9.308 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.372 -4.194 8.866 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.850 -1.319 6.923 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.538 -0.388 7.683 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.153 -1.762 6.620 1.00 0.00 H new ATOM 764 N PRO A 52 -6.988 -3.411 11.421 1.00 0.00 N ATOM 765 CA PRO A 52 -6.962 -4.409 12.492 1.00 0.00 C ATOM 766 C PRO A 52 -8.330 -4.552 13.139 1.00 0.00 C ATOM 767 O PRO A 52 -9.222 -3.743 12.887 1.00 0.00 O ATOM 768 CB PRO A 52 -5.957 -3.837 13.489 1.00 0.00 C ATOM 769 CG PRO A 52 -6.065 -2.367 13.308 1.00 0.00 C ATOM 770 CD PRO A 52 -6.333 -2.156 11.844 1.00 0.00 C ATOM 0 HA PRO A 52 -6.694 -5.403 12.133 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.197 -4.132 14.511 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.947 -4.191 13.284 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.870 -1.956 13.917 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.146 -1.866 13.614 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.976 -1.292 11.676 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.411 -1.979 11.290 1.00 0.00 H new ATOM 778 N ALA A 53 -8.499 -5.586 13.958 1.00 0.00 N ATOM 779 CA ALA A 53 -9.768 -5.845 14.648 1.00 0.00 C ATOM 780 C ALA A 53 -10.430 -4.572 15.215 1.00 0.00 C ATOM 781 O ALA A 53 -11.529 -4.642 15.765 1.00 0.00 O ATOM 782 CB ALA A 53 -9.552 -6.856 15.763 1.00 0.00 C ATOM 0 H ALA A 53 -7.768 -6.267 14.164 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.453 -6.244 13.900 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.497 -7.044 16.272 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.175 -7.788 15.341 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.828 -6.462 16.477 1.00 0.00 H new ATOM 788 N SER A 54 -9.779 -3.414 15.073 1.00 0.00 N ATOM 789 CA SER A 54 -10.333 -2.156 15.562 1.00 0.00 C ATOM 790 C SER A 54 -11.654 -1.862 14.885 1.00 0.00 C ATOM 791 O SER A 54 -12.548 -1.243 15.462 1.00 0.00 O ATOM 792 CB SER A 54 -9.366 -1.028 15.239 1.00 0.00 C ATOM 793 OG SER A 54 -9.752 0.180 15.872 1.00 0.00 O ATOM 0 H SER A 54 -8.868 -3.325 14.623 1.00 0.00 H new ATOM 0 HA SER A 54 -10.487 -2.236 16.638 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.362 -1.304 15.560 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.326 -0.879 14.160 1.00 0.00 H new ATOM 0 HG SER A 54 -9.111 0.886 15.647 1.00 0.00 H new ATOM 799 N SER A 55 -11.761 -2.316 13.655 1.00 0.00 N ATOM 800 CA SER A 55 -12.961 -2.120 12.868 1.00 0.00 C ATOM 801 C SER A 55 -13.302 -3.377 12.073 1.00 0.00 C ATOM 802 O SER A 55 -12.466 -4.266 11.912 1.00 0.00 O ATOM 803 CB SER A 55 -12.749 -0.947 11.929 1.00 0.00 C ATOM 804 OG SER A 55 -12.884 0.285 12.616 1.00 0.00 O ATOM 0 H SER A 55 -11.023 -2.829 13.173 1.00 0.00 H new ATOM 0 HA SER A 55 -13.796 -1.911 13.537 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.758 -1.010 11.480 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.471 -0.994 11.114 1.00 0.00 H new ATOM 0 HG SER A 55 -12.062 0.473 13.115 1.00 0.00 H new ATOM 810 N GLU A 56 -14.531 -3.442 11.573 1.00 0.00 N ATOM 811 CA GLU A 56 -14.975 -4.589 10.789 1.00 0.00 C ATOM 812 C GLU A 56 -14.343 -4.578 9.399 1.00 0.00 C ATOM 813 O GLU A 56 -14.271 -5.609 8.730 1.00 0.00 O ATOM 814 CB GLU A 56 -16.500 -4.594 10.670 1.00 0.00 C ATOM 815 CG GLU A 56 -17.209 -5.027 11.942 1.00 0.00 C ATOM 816 CD GLU A 56 -18.520 -5.737 11.666 1.00 0.00 C ATOM 817 OE1 GLU A 56 -19.279 -5.264 10.794 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.787 -6.767 12.320 1.00 0.00 O ATOM 0 H GLU A 56 -15.236 -2.716 11.696 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.656 -5.494 11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.838 -3.594 10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.790 -5.260 9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.555 -5.688 12.511 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.398 -4.152 12.564 1.00 0.00 H new ATOM 825 N LYS A 57 -13.891 -3.402 8.971 1.00 0.00 N ATOM 826 CA LYS A 57 -13.267 -3.248 7.654 1.00 0.00 C ATOM 827 C LYS A 57 -12.190 -4.305 7.422 1.00 0.00 C ATOM 828 O LYS A 57 -11.881 -5.105 8.305 1.00 0.00 O ATOM 829 CB LYS A 57 -12.646 -1.846 7.472 1.00 0.00 C ATOM 830 CG LYS A 57 -12.614 -0.983 8.726 1.00 0.00 C ATOM 831 CD LYS A 57 -13.912 -0.207 8.898 1.00 0.00 C ATOM 832 CE LYS A 57 -13.687 1.116 9.610 1.00 0.00 C ATOM 833 NZ LYS A 57 -14.787 2.084 9.347 1.00 0.00 N ATOM 0 H LYS A 57 -13.944 -2.541 9.515 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.063 -3.377 6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.626 -1.963 7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.204 -1.316 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.446 -1.613 9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.777 -0.287 8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.358 -0.023 7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.623 -0.808 9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.606 0.941 10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.740 1.546 9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.875 2.737 10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.575 2.625 8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.681 1.568 9.221 1.00 0.00 H new ATOM 847 N MET A 58 -11.619 -4.283 6.223 1.00 0.00 N ATOM 848 CA MET A 58 -10.563 -5.215 5.843 1.00 0.00 C ATOM 849 C MET A 58 -9.863 -4.714 4.585 1.00 0.00 C ATOM 850 O MET A 58 -10.003 -5.297 3.510 1.00 0.00 O ATOM 851 CB MET A 58 -11.138 -6.612 5.607 1.00 0.00 C ATOM 852 CG MET A 58 -12.459 -6.606 4.857 1.00 0.00 C ATOM 853 SD MET A 58 -13.812 -7.303 5.823 1.00 0.00 S ATOM 854 CE MET A 58 -14.819 -8.004 4.521 1.00 0.00 C ATOM 0 H MET A 58 -11.873 -3.622 5.489 1.00 0.00 H new ATOM 0 HA MET A 58 -9.839 -5.276 6.656 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.414 -7.204 5.047 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.278 -7.106 6.569 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.708 -5.583 4.577 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.349 -7.172 3.932 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.839 -8.136 4.881 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.821 -7.333 3.662 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.411 -8.971 4.226 1.00 0.00 H new ATOM 864 N MET A 59 -9.130 -3.610 4.720 1.00 0.00 N ATOM 865 CA MET A 59 -8.438 -3.018 3.582 1.00 0.00 C ATOM 866 C MET A 59 -6.971 -2.728 3.880 1.00 0.00 C ATOM 867 O MET A 59 -6.566 -2.594 5.035 1.00 0.00 O ATOM 868 CB MET A 59 -9.136 -1.720 3.165 1.00 0.00 C ATOM 869 CG MET A 59 -9.022 -0.615 4.199 1.00 0.00 C ATOM 870 SD MET A 59 -10.614 -0.137 4.898 1.00 0.00 S ATOM 871 CE MET A 59 -10.092 1.017 6.169 1.00 0.00 C ATOM 0 H MET A 59 -9.002 -3.112 5.601 1.00 0.00 H new ATOM 0 HA MET A 59 -8.474 -3.745 2.771 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.709 -1.373 2.224 1.00 0.00 H new ATOM 0 HB3 MET A 59 -10.190 -1.926 2.979 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.363 -0.943 5.002 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.556 0.257 3.741 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.481 0.695 7.135 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.003 1.047 6.208 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.474 2.011 5.937 1.00 0.00 H new ATOM 881 N LEU A 60 -6.192 -2.607 2.810 1.00 0.00 N ATOM 882 CA LEU A 60 -4.773 -2.302 2.908 1.00 0.00 C ATOM 883 C LEU A 60 -4.453 -1.074 2.056 1.00 0.00 C ATOM 884 O LEU A 60 -4.738 -1.052 0.860 1.00 0.00 O ATOM 885 CB LEU A 60 -3.926 -3.496 2.445 1.00 0.00 C ATOM 886 CG LEU A 60 -3.935 -4.716 3.374 1.00 0.00 C ATOM 887 CD1 LEU A 60 -2.870 -5.719 2.950 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.717 -4.294 4.819 1.00 0.00 C ATOM 0 H LEU A 60 -6.528 -2.718 1.853 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.532 -2.095 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.278 -3.808 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.896 -3.162 2.324 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.912 -5.193 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.891 -6.578 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.067 -6.050 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.888 -5.248 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.727 -5.175 5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.755 -3.790 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.513 -3.614 5.124 1.00 0.00 H new ATOM 900 N ARG A 61 -3.868 -0.052 2.674 1.00 0.00 N ATOM 901 CA ARG A 61 -3.523 1.176 1.961 1.00 0.00 C ATOM 902 C ARG A 61 -2.011 1.402 1.997 1.00 0.00 C ATOM 903 O ARG A 61 -1.359 1.123 3.002 1.00 0.00 O ATOM 904 CB ARG A 61 -4.264 2.372 2.580 1.00 0.00 C ATOM 905 CG ARG A 61 -3.466 3.671 2.599 1.00 0.00 C ATOM 906 CD ARG A 61 -4.377 4.888 2.650 1.00 0.00 C ATOM 907 NE ARG A 61 -4.181 5.766 1.499 1.00 0.00 N ATOM 908 CZ ARG A 61 -5.054 6.696 1.119 1.00 0.00 C ATOM 909 NH1 ARG A 61 -6.182 6.874 1.796 1.00 0.00 N ATOM 910 NH2 ARG A 61 -4.799 7.451 0.060 1.00 0.00 N ATOM 0 H ARG A 61 -3.623 -0.049 3.664 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.831 1.079 0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.188 2.537 2.026 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.546 2.119 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.801 3.677 3.463 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.836 3.725 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.416 4.562 2.684 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.187 5.445 3.568 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.325 5.660 0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.383 6.296 2.612 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.847 7.588 1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.934 7.319 -0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.468 8.164 -0.231 1.00 0.00 H new ATOM 924 N LEU A 62 -1.459 1.902 0.897 1.00 0.00 N ATOM 925 CA LEU A 62 -0.024 2.154 0.813 1.00 0.00 C ATOM 926 C LEU A 62 0.259 3.587 0.376 1.00 0.00 C ATOM 927 O LEU A 62 -0.442 4.138 -0.473 1.00 0.00 O ATOM 928 CB LEU A 62 0.631 1.174 -0.162 1.00 0.00 C ATOM 929 CG LEU A 62 0.493 -0.304 0.210 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.961 -0.542 1.638 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.947 -0.765 0.035 1.00 0.00 C ATOM 0 H LEU A 62 -1.981 2.140 0.054 1.00 0.00 H new ATOM 0 HA LEU A 62 0.400 2.009 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.198 1.325 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.691 1.416 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 62 1.125 -0.888 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.855 -1.599 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.007 -0.251 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.356 0.052 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.027 -1.818 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.599 -0.175 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.248 -0.632 -1.004 1.00 0.00 H new ATOM 943 N ILE A 63 1.293 4.186 0.960 1.00 0.00 N ATOM 944 CA ILE A 63 1.672 5.555 0.631 1.00 0.00 C ATOM 945 C ILE A 63 3.119 5.617 0.143 1.00 0.00 C ATOM 946 O ILE A 63 4.044 5.228 0.856 1.00 0.00 O ATOM 947 CB ILE A 63 1.481 6.492 1.845 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.010 6.883 1.976 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.349 7.738 1.736 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.637 6.340 3.223 1.00 0.00 C ATOM 0 H ILE A 63 1.883 3.743 1.664 1.00 0.00 H new ATOM 0 HA ILE A 63 1.018 5.894 -0.172 1.00 0.00 H new ATOM 0 HB ILE A 63 1.793 5.950 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.072 7.970 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.535 6.521 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.187 8.372 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.398 7.447 1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.084 8.288 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.681 6.653 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.585 5.251 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.115 6.722 4.100 1.00 0.00 H new ATOM 962 N GLY A 64 3.304 6.108 -1.079 1.00 0.00 N ATOM 963 CA GLY A 64 4.636 6.212 -1.647 1.00 0.00 C ATOM 964 C GLY A 64 5.547 7.124 -0.847 1.00 0.00 C ATOM 965 O GLY A 64 5.293 7.392 0.328 1.00 0.00 O ATOM 0 H GLY A 64 2.553 6.436 -1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.081 5.219 -1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.562 6.585 -2.669 1.00 0.00 H new ATOM 1311 N ARG A 86 -0.420 7.457 -2.961 1.00 0.00 N ATOM 1312 CA ARG A 86 -1.246 6.942 -1.875 1.00 0.00 C ATOM 1313 C ARG A 86 -2.531 6.326 -2.418 1.00 0.00 C ATOM 1314 O ARG A 86 -3.327 7.001 -3.070 1.00 0.00 O ATOM 1315 CB ARG A 86 -1.582 8.061 -0.887 1.00 0.00 C ATOM 1316 CG ARG A 86 -0.391 8.935 -0.528 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.790 10.062 0.410 1.00 0.00 C ATOM 1318 NE ARG A 86 -1.998 10.748 -0.040 1.00 0.00 N ATOM 1319 CZ ARG A 86 -2.023 11.625 -1.042 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -0.909 11.924 -1.699 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -3.165 12.204 -1.387 1.00 0.00 N ATOM 0 HA ARG A 86 -0.681 6.167 -1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.366 8.687 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.986 7.620 0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.381 8.325 -0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.042 9.353 -1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.953 9.660 1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.028 10.779 0.483 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.874 10.544 0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.028 11.481 -1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.934 12.596 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.024 11.978 -0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.185 12.876 -2.154 1.00 0.00 H new ATOM 1335 N HIS A 87 -2.726 5.039 -2.147 1.00 0.00 N ATOM 1336 CA HIS A 87 -3.914 4.333 -2.612 1.00 0.00 C ATOM 1337 C HIS A 87 -4.493 3.448 -1.513 1.00 0.00 C ATOM 1338 O HIS A 87 -3.778 3.009 -0.612 1.00 0.00 O ATOM 1339 CB HIS A 87 -3.587 3.486 -3.845 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.248 2.818 -3.781 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.178 3.201 -4.562 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -1.808 1.784 -3.025 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.139 2.431 -4.290 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.495 1.564 -3.361 1.00 0.00 N ATOM 0 H HIS A 87 -2.077 4.465 -1.608 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.661 5.080 -2.882 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.357 2.724 -3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.624 4.120 -4.731 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -1.187 3.960 -5.243 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.383 1.235 -2.294 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.836 2.500 -4.750 1.00 0.00 H new ATOM 1353 N MET A 88 -5.793 3.190 -1.597 1.00 0.00 N ATOM 1354 CA MET A 88 -6.478 2.355 -0.616 1.00 0.00 C ATOM 1355 C MET A 88 -6.967 1.063 -1.258 1.00 0.00 C ATOM 1356 O MET A 88 -7.883 1.075 -2.081 1.00 0.00 O ATOM 1357 CB MET A 88 -7.663 3.110 -0.011 1.00 0.00 C ATOM 1358 CG MET A 88 -7.805 2.933 1.494 1.00 0.00 C ATOM 1359 SD MET A 88 -9.322 2.079 1.975 1.00 0.00 S ATOM 1360 CE MET A 88 -9.465 2.554 3.703 1.00 0.00 C ATOM 0 H MET A 88 -6.396 3.548 -2.337 1.00 0.00 H new ATOM 0 HA MET A 88 -5.769 2.109 0.175 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.556 4.172 -0.233 1.00 0.00 H new ATOM 0 HB3 MET A 88 -8.580 2.774 -0.494 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.948 2.374 1.869 1.00 0.00 H new ATOM 0 HG3 MET A 88 -7.781 3.913 1.972 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.385 2.144 4.118 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.611 2.166 4.259 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.485 3.641 3.781 1.00 0.00 H new ATOM 1370 N PHE A 89 -6.360 -0.049 -0.871 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.742 -1.350 -1.402 1.00 0.00 C ATOM 1372 C PHE A 89 -7.767 -1.998 -0.479 1.00 0.00 C ATOM 1373 O PHE A 89 -7.500 -2.202 0.702 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.506 -2.239 -1.545 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.300 -2.753 -2.938 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.310 -3.438 -3.593 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.098 -2.547 -3.593 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.123 -3.910 -4.877 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.905 -3.017 -4.877 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.920 -3.699 -5.519 1.00 0.00 C ATOM 0 H PHE A 89 -5.600 -0.077 -0.191 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.189 -1.223 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.625 -1.675 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.595 -3.085 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.253 -3.605 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.303 -2.013 -3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.917 -4.444 -5.378 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.963 -2.852 -5.378 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.772 -4.067 -6.523 1.00 0.00 H new ATOM 1390 N SER A 90 -8.949 -2.293 -1.009 1.00 0.00 N ATOM 1391 CA SER A 90 -10.011 -2.883 -0.201 1.00 0.00 C ATOM 1392 C SER A 90 -10.472 -4.226 -0.746 1.00 0.00 C ATOM 1393 O SER A 90 -10.772 -4.361 -1.932 1.00 0.00 O ATOM 1394 CB SER A 90 -11.201 -1.929 -0.136 1.00 0.00 C ATOM 1395 OG SER A 90 -10.886 -0.767 0.611 1.00 0.00 O ATOM 0 H SER A 90 -9.195 -2.135 -1.986 1.00 0.00 H new ATOM 0 HA SER A 90 -9.604 -3.051 0.796 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.499 -1.646 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.053 -2.436 0.317 1.00 0.00 H new ATOM 0 HG SER A 90 -11.665 -0.173 0.635 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.545 -5.214 0.140 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.993 -6.546 -0.237 1.00 0.00 C ATOM 1403 C PHE A 91 -12.020 -7.060 0.766 1.00 0.00 C ATOM 1404 O PHE A 91 -12.230 -6.456 1.818 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.823 -7.538 -0.354 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.499 -7.051 0.173 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.919 -5.885 -0.302 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.819 -7.787 1.128 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.694 -5.462 0.171 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.593 -7.370 1.598 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.029 -6.206 1.122 1.00 0.00 C ATOM 0 H PHE A 91 -10.299 -5.115 1.125 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.455 -6.468 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.091 -8.452 0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.700 -7.804 -1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.432 -5.301 -1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.255 -8.699 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.256 -4.548 -0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.073 -7.956 2.341 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.069 -5.878 1.493 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.660 -8.175 0.434 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.669 -8.763 1.307 1.00 0.00 C ATOM 1423 C ASN A 92 -13.066 -9.857 2.180 1.00 0.00 C ATOM 1424 O ASN A 92 -13.755 -10.797 2.576 1.00 0.00 O ATOM 1425 CB ASN A 92 -14.820 -9.335 0.476 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.598 -8.257 -0.252 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.717 -7.915 0.132 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.009 -7.715 -1.312 1.00 0.00 N ATOM 0 H ASN A 92 -12.499 -8.689 -0.432 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.053 -7.977 1.957 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.423 -10.045 -0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.495 -9.889 1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.485 -6.985 -1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.081 -8.028 -1.595 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.777 -9.731 2.476 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.089 -10.715 3.302 1.00 0.00 C ATOM 1437 C ASN A 93 -10.332 -10.051 4.446 1.00 0.00 C ATOM 1438 O ASN A 93 -9.283 -9.442 4.240 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.127 -11.544 2.451 1.00 0.00 C ATOM 1440 CG ASN A 93 -10.793 -12.116 1.215 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.009 -12.306 1.183 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -9.998 -12.394 0.189 1.00 0.00 N ATOM 0 H ASN A 93 -11.190 -8.960 2.157 1.00 0.00 H new ATOM 0 HA ASN A 93 -11.845 -11.372 3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.284 -10.922 2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -9.724 -12.359 3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.390 -12.781 -0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.995 -12.221 0.259 1.00 0.00 H new ATOM 1449 N ARG A 94 -10.870 -10.185 5.655 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.245 -9.610 6.840 1.00 0.00 C ATOM 1451 C ARG A 94 -9.067 -10.467 7.291 1.00 0.00 C ATOM 1452 O ARG A 94 -8.101 -9.965 7.863 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.265 -9.485 7.972 1.00 0.00 C ATOM 1454 CG ARG A 94 -10.724 -8.776 9.203 1.00 0.00 C ATOM 1455 CD ARG A 94 -10.262 -9.768 10.259 1.00 0.00 C ATOM 1456 NE ARG A 94 -10.576 -9.313 11.611 1.00 0.00 N ATOM 1457 CZ ARG A 94 -10.318 -10.020 12.710 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -9.743 -11.213 12.620 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -10.636 -9.533 13.901 1.00 0.00 N ATOM 0 H ARG A 94 -11.738 -10.688 5.839 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.877 -8.616 6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.138 -8.944 7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.604 -10.481 8.256 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.892 -8.133 8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.496 -8.131 9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.736 -10.733 10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.186 -9.920 10.168 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.019 -8.401 11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.496 -11.593 11.706 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.548 -11.750 13.465 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.078 -8.617 13.976 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.438 -10.074 14.743 1.00 0.00 H new ATOM 1473 N THR A 95 -9.157 -11.767 7.027 1.00 0.00 N ATOM 1474 CA THR A 95 -8.120 -12.700 7.391 1.00 0.00 C ATOM 1475 C THR A 95 -6.906 -12.544 6.481 1.00 0.00 C ATOM 1476 O THR A 95 -5.767 -12.513 6.947 1.00 0.00 O ATOM 1477 CB THR A 95 -8.678 -14.107 7.292 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.094 -14.085 7.225 1.00 0.00 O ATOM 1479 CG2 THR A 95 -8.292 -14.982 8.453 1.00 0.00 C ATOM 0 H THR A 95 -9.954 -12.194 6.555 1.00 0.00 H new ATOM 0 HA THR A 95 -7.795 -12.501 8.412 1.00 0.00 H new ATOM 0 HB THR A 95 -8.247 -14.523 6.382 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.377 -14.079 6.287 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.723 -15.974 8.320 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.206 -15.062 8.503 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.666 -14.545 9.379 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.160 -12.442 5.180 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.090 -12.283 4.204 1.00 0.00 C ATOM 1489 C VAL A 96 -5.328 -10.987 4.444 1.00 0.00 C ATOM 1490 O VAL A 96 -4.118 -10.999 4.672 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.632 -12.284 2.762 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -5.489 -12.254 1.758 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.526 -13.491 2.525 1.00 0.00 C ATOM 0 H VAL A 96 -8.097 -12.467 4.778 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.419 -13.133 4.328 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.231 -11.384 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.894 -12.255 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.895 -11.353 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.859 -13.132 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.898 -13.473 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.954 -14.405 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.367 -13.462 3.217 1.00 0.00 H new ATOM 1503 N MET A 97 -6.046 -9.867 4.388 1.00 0.00 N ATOM 1504 CA MET A 97 -5.440 -8.550 4.596 1.00 0.00 C ATOM 1505 C MET A 97 -4.454 -8.547 5.764 1.00 0.00 C ATOM 1506 O MET A 97 -3.296 -8.160 5.609 1.00 0.00 O ATOM 1507 CB MET A 97 -6.527 -7.504 4.845 1.00 0.00 C ATOM 1508 CG MET A 97 -7.599 -7.957 5.823 1.00 0.00 C ATOM 1509 SD MET A 97 -7.452 -7.160 7.432 1.00 0.00 S ATOM 1510 CE MET A 97 -7.320 -5.448 6.933 1.00 0.00 C ATOM 0 H MET A 97 -7.048 -9.843 4.200 1.00 0.00 H new ATOM 0 HA MET A 97 -4.886 -8.304 3.690 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.063 -6.594 5.225 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.998 -7.249 3.896 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.582 -7.742 5.404 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.536 -9.038 5.950 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.806 -4.814 7.675 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.268 -5.172 6.853 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.805 -5.312 5.967 1.00 0.00 H new ATOM 1520 N ASP A 98 -4.922 -8.965 6.933 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.082 -8.996 8.126 1.00 0.00 C ATOM 1522 C ASP A 98 -2.905 -9.955 7.963 1.00 0.00 C ATOM 1523 O ASP A 98 -1.902 -9.843 8.668 1.00 0.00 O ATOM 1524 CB ASP A 98 -4.914 -9.399 9.345 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.283 -8.952 10.649 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.308 -9.597 11.089 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.762 -7.955 11.230 1.00 0.00 O ATOM 0 H ASP A 98 -5.878 -9.287 7.082 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.680 -7.993 8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.911 -8.967 9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.036 -10.482 9.356 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.036 -10.908 7.046 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.984 -11.893 6.815 1.00 0.00 C ATOM 1534 C ASN A 99 -0.945 -11.401 5.807 1.00 0.00 C ATOM 1535 O ASN A 99 0.219 -11.797 5.870 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.595 -13.210 6.330 1.00 0.00 C ATOM 1537 CG ASN A 99 -2.064 -14.408 7.092 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -0.877 -14.479 7.410 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -2.943 -15.358 7.388 1.00 0.00 N ATOM 0 H ASN A 99 -3.858 -11.020 6.452 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.473 -12.051 7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.679 -13.166 6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.385 -13.336 5.268 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.644 -16.188 7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -3.918 -15.257 7.104 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.364 -10.556 4.869 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.448 -10.049 3.851 1.00 0.00 C ATOM 1548 C ILE A 100 0.296 -8.794 4.313 1.00 0.00 C ATOM 1549 O ILE A 100 1.446 -8.580 3.932 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.177 -9.761 2.521 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.165 -9.437 1.420 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.176 -8.626 2.684 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -0.801 -8.976 0.125 1.00 0.00 C ATOM 0 H ILE A 100 -2.321 -10.211 4.792 1.00 0.00 H new ATOM 0 HA ILE A 100 0.286 -10.838 3.686 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.729 -10.655 2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.512 -8.662 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.440 -10.322 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.676 -8.442 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.916 -8.898 3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.653 -7.723 2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.022 -8.765 -0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.456 -9.759 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.383 -8.072 0.307 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.349 -7.970 5.138 1.00 0.00 N ATOM 1566 CA LYS A 101 0.287 -6.757 5.635 1.00 0.00 C ATOM 1567 C LYS A 101 1.198 -7.079 6.810 1.00 0.00 C ATOM 1568 O LYS A 101 2.267 -6.489 6.961 1.00 0.00 O ATOM 1569 CB LYS A 101 -0.763 -5.728 6.058 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.203 -4.323 6.214 1.00 0.00 C ATOM 1571 CD LYS A 101 0.359 -4.093 7.610 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.742 -3.971 8.652 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.237 -4.230 10.029 1.00 0.00 N ATOM 0 H LYS A 101 -1.301 -8.120 5.472 1.00 0.00 H new ATOM 0 HA LYS A 101 0.885 -6.333 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.564 -5.712 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.208 -6.041 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.581 -4.159 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.988 -3.594 6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.020 -4.918 7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.964 -3.186 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.175 -2.972 8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.541 -4.676 8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.844 -4.935 10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.737 -4.591 9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.251 -3.346 10.576 1.00 0.00 H new ATOM 1587 N MET A 102 0.766 -8.021 7.640 1.00 0.00 N ATOM 1588 CA MET A 102 1.540 -8.430 8.810 1.00 0.00 C ATOM 1589 C MET A 102 3.002 -8.672 8.441 1.00 0.00 C ATOM 1590 O MET A 102 3.902 -8.473 9.257 1.00 0.00 O ATOM 1591 CB MET A 102 0.940 -9.696 9.427 1.00 0.00 C ATOM 1592 CG MET A 102 0.007 -9.420 10.594 1.00 0.00 C ATOM 1593 SD MET A 102 0.888 -9.215 12.154 1.00 0.00 S ATOM 1594 CE MET A 102 -0.345 -9.792 13.318 1.00 0.00 C ATOM 0 H MET A 102 -0.117 -8.518 7.526 1.00 0.00 H new ATOM 0 HA MET A 102 1.499 -7.623 9.541 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.394 -10.242 8.657 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.749 -10.344 9.765 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.571 -8.520 10.387 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.704 -10.241 10.688 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.052 -9.726 14.331 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.239 -9.173 13.238 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.600 -10.828 13.095 1.00 0.00 H new ATOM 1604 N THR A 103 3.227 -9.096 7.203 1.00 0.00 N ATOM 1605 CA THR A 103 4.575 -9.361 6.714 1.00 0.00 C ATOM 1606 C THR A 103 5.211 -8.085 6.166 1.00 0.00 C ATOM 1607 O THR A 103 6.432 -7.931 6.183 1.00 0.00 O ATOM 1608 CB THR A 103 4.535 -10.440 5.628 1.00 0.00 C ATOM 1609 OG1 THR A 103 4.084 -11.671 6.164 1.00 0.00 O ATOM 1610 CG2 THR A 103 5.878 -10.690 4.975 1.00 0.00 C ATOM 0 H THR A 103 2.491 -9.264 6.517 1.00 0.00 H new ATOM 0 HA THR A 103 5.182 -9.716 7.547 1.00 0.00 H new ATOM 0 HB THR A 103 3.849 -10.060 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.063 -12.348 5.456 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.775 -11.466 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.232 -9.771 4.508 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.595 -11.014 5.730 1.00 0.00 H new ATOM 1618 N LEU A 104 4.373 -7.178 5.678 1.00 0.00 N ATOM 1619 CA LEU A 104 4.844 -5.915 5.123 1.00 0.00 C ATOM 1620 C LEU A 104 5.105 -4.887 6.220 1.00 0.00 C ATOM 1621 O LEU A 104 6.010 -4.060 6.104 1.00 0.00 O ATOM 1622 CB LEU A 104 3.823 -5.370 4.125 1.00 0.00 C ATOM 1623 CG LEU A 104 3.656 -6.185 2.835 1.00 0.00 C ATOM 1624 CD1 LEU A 104 3.419 -5.255 1.661 1.00 0.00 C ATOM 1625 CD2 LEU A 104 4.873 -7.064 2.573 1.00 0.00 C ATOM 0 H LEU A 104 3.360 -7.295 5.656 1.00 0.00 H new ATOM 0 HA LEU A 104 5.787 -6.103 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.855 -5.307 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.111 -4.354 3.857 1.00 0.00 H new ATOM 0 HG LEU A 104 2.792 -6.838 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.302 -5.842 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.515 -4.671 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.270 -4.582 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.723 -7.628 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.760 -6.438 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.008 -7.756 3.404 1.00 0.00 H new ATOM 1637 N GLN A 105 4.308 -4.940 7.283 1.00 0.00 N ATOM 1638 CA GLN A 105 4.459 -4.008 8.398 1.00 0.00 C ATOM 1639 C GLN A 105 5.899 -3.987 8.895 1.00 0.00 C ATOM 1640 O GLN A 105 6.499 -2.922 9.045 1.00 0.00 O ATOM 1641 CB GLN A 105 3.517 -4.390 9.542 1.00 0.00 C ATOM 1642 CG GLN A 105 3.589 -3.445 10.731 1.00 0.00 C ATOM 1643 CD GLN A 105 2.315 -2.644 10.918 1.00 0.00 C ATOM 1644 OE1 GLN A 105 1.852 -2.447 12.042 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.742 -2.178 9.815 1.00 0.00 N ATOM 0 H GLN A 105 3.553 -5.616 7.397 1.00 0.00 H new ATOM 0 HA GLN A 105 4.201 -3.010 8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.494 -4.412 9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.755 -5.400 9.876 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.788 -4.020 11.635 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.427 -2.761 10.597 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.161 -2.366 8.904 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.883 -1.632 9.878 1.00 0.00 H new ATOM 1654 N GLN A 106 6.454 -5.169 9.139 1.00 0.00 N ATOM 1655 CA GLN A 106 7.828 -5.278 9.607 1.00 0.00 C ATOM 1656 C GLN A 106 8.788 -4.729 8.559 1.00 0.00 C ATOM 1657 O GLN A 106 9.830 -4.164 8.893 1.00 0.00 O ATOM 1658 CB GLN A 106 8.173 -6.735 9.925 1.00 0.00 C ATOM 1659 CG GLN A 106 7.878 -7.692 8.783 1.00 0.00 C ATOM 1660 CD GLN A 106 9.131 -8.125 8.047 1.00 0.00 C ATOM 1661 OE1 GLN A 106 10.123 -7.397 8.004 1.00 0.00 O ATOM 1662 NE2 GLN A 106 9.092 -9.317 7.462 1.00 0.00 N ATOM 0 H GLN A 106 5.974 -6.061 9.021 1.00 0.00 H new ATOM 0 HA GLN A 106 7.929 -4.690 10.519 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.231 -6.802 10.180 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.612 -7.049 10.805 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.368 -8.572 9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.195 -7.214 8.080 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.249 -9.888 7.523 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.905 -9.662 6.952 1.00 0.00 H new ATOM 1671 N ILE A 107 8.429 -4.894 7.288 1.00 0.00 N ATOM 1672 CA ILE A 107 9.250 -4.413 6.195 1.00 0.00 C ATOM 1673 C ILE A 107 9.440 -2.905 6.283 1.00 0.00 C ATOM 1674 O ILE A 107 10.561 -2.426 6.408 1.00 0.00 O ATOM 1675 CB ILE A 107 8.636 -4.811 4.832 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.410 -5.987 4.257 1.00 0.00 C ATOM 1677 CG2 ILE A 107 8.621 -3.649 3.848 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.656 -6.746 3.185 1.00 0.00 C ATOM 0 H ILE A 107 7.570 -5.360 6.996 1.00 0.00 H new ATOM 0 HA ILE A 107 10.231 -4.882 6.276 1.00 0.00 H new ATOM 0 HB ILE A 107 7.597 -5.097 4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.349 -5.623 3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.664 -6.673 5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.181 -3.976 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.030 -2.831 4.260 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.641 -3.307 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.270 -7.570 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.729 -7.140 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.425 -6.075 2.358 1.00 0.00 H new ATOM 1690 N ILE A 108 8.345 -2.157 6.228 1.00 0.00 N ATOM 1691 CA ILE A 108 8.430 -0.706 6.312 1.00 0.00 C ATOM 1692 C ILE A 108 9.198 -0.295 7.555 1.00 0.00 C ATOM 1693 O ILE A 108 9.944 0.682 7.553 1.00 0.00 O ATOM 1694 CB ILE A 108 7.045 -0.035 6.346 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.091 -0.690 5.346 1.00 0.00 C ATOM 1696 CG2 ILE A 108 7.187 1.451 6.059 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.638 -0.770 3.936 1.00 0.00 C ATOM 0 H ILE A 108 7.399 -2.526 6.127 1.00 0.00 H new ATOM 0 HA ILE A 108 8.949 -0.373 5.413 1.00 0.00 H new ATOM 0 HB ILE A 108 6.620 -0.166 7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.854 -1.697 5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.156 -0.130 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.204 1.922 6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.828 1.908 6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 108 7.631 1.590 5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.903 -1.247 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.848 0.235 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.557 -1.356 3.935 1.00 0.00 H new ATOM 1709 N SER A 109 9.010 -1.066 8.611 1.00 0.00 N ATOM 1710 CA SER A 109 9.679 -0.815 9.874 1.00 0.00 C ATOM 1711 C SER A 109 11.181 -1.050 9.741 1.00 0.00 C ATOM 1712 O SER A 109 11.976 -0.501 10.502 1.00 0.00 O ATOM 1713 CB SER A 109 9.095 -1.717 10.960 1.00 0.00 C ATOM 1714 OG SER A 109 9.851 -1.638 12.156 1.00 0.00 O ATOM 0 H SER A 109 8.393 -1.879 8.618 1.00 0.00 H new ATOM 0 HA SER A 109 9.519 0.226 10.154 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.063 -1.428 11.160 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.075 -2.748 10.607 1.00 0.00 H new ATOM 0 HG SER A 109 9.454 -2.224 12.834 1.00 0.00 H new ATOM 1720 N ARG A 110 11.563 -1.867 8.762 1.00 0.00 N ATOM 1721 CA ARG A 110 12.968 -2.165 8.523 1.00 0.00 C ATOM 1722 C ARG A 110 13.503 -1.324 7.365 1.00 0.00 C ATOM 1723 O ARG A 110 14.583 -0.741 7.457 1.00 0.00 O ATOM 1724 CB ARG A 110 13.157 -3.666 8.248 1.00 0.00 C ATOM 1725 CG ARG A 110 13.221 -4.037 6.772 1.00 0.00 C ATOM 1726 CD ARG A 110 13.417 -5.533 6.582 1.00 0.00 C ATOM 1727 NE ARG A 110 14.813 -5.873 6.321 1.00 0.00 N ATOM 1728 CZ ARG A 110 15.221 -7.075 5.921 1.00 0.00 C ATOM 1729 NH1 ARG A 110 14.343 -8.053 5.733 1.00 0.00 N ATOM 1730 NH2 ARG A 110 16.510 -7.301 5.706 1.00 0.00 N ATOM 0 H ARG A 110 10.918 -2.333 8.124 1.00 0.00 H new ATOM 0 HA ARG A 110 13.537 -1.909 9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 110 14.075 -3.998 8.733 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.336 -4.213 8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.302 -3.723 6.277 1.00 0.00 H new ATOM 0 HG3 ARG A 110 14.040 -3.498 6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.076 -6.059 7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.799 -5.877 5.753 1.00 0.00 H new ATOM 0 HE ARG A 110 15.517 -5.147 6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 110 13.350 -7.885 5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 110 14.661 -8.972 5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 110 17.189 -6.553 5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 110 16.822 -8.222 5.399 1.00 0.00 H new ATOM 1744 N TYR A 111 12.737 -1.261 6.278 1.00 0.00 N ATOM 1745 CA TYR A 111 13.135 -0.487 5.109 1.00 0.00 C ATOM 1746 C TYR A 111 13.293 0.990 5.460 1.00 0.00 C ATOM 1747 O TYR A 111 14.154 1.678 4.916 1.00 0.00 O ATOM 1748 CB TYR A 111 12.107 -0.651 3.987 1.00 0.00 C ATOM 1749 CG TYR A 111 12.407 -1.794 3.041 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.078 -2.930 3.477 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.016 -1.735 1.709 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.352 -3.974 2.614 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.285 -2.775 0.839 1.00 0.00 C ATOM 1754 CZ TYR A 111 12.953 -3.891 1.296 1.00 0.00 C ATOM 1755 OH TYR A 111 13.224 -4.928 0.433 1.00 0.00 O ATOM 0 H TYR A 111 11.839 -1.736 6.184 1.00 0.00 H new ATOM 0 HA TYR A 111 14.099 -0.864 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.123 -0.807 4.429 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.056 0.276 3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 111 13.391 -2.998 4.508 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.493 -0.862 1.347 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.875 -4.849 2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.973 -2.714 -0.193 1.00 0.00 H new ATOM 0 HH TYR A 111 13.822 -4.615 -0.278 1.00 0.00 H new ATOM 1765 N LYS A 112 12.454 1.469 6.371 1.00 0.00 N ATOM 1766 CA LYS A 112 12.496 2.859 6.799 1.00 0.00 C ATOM 1767 C LYS A 112 13.858 3.213 7.383 1.00 0.00 C ATOM 1768 O LYS A 112 14.500 4.175 6.960 1.00 0.00 O ATOM 1769 CB LYS A 112 11.413 3.099 7.844 1.00 0.00 C ATOM 1770 CG LYS A 112 10.044 3.360 7.250 1.00 0.00 C ATOM 1771 CD LYS A 112 9.707 4.835 7.289 1.00 0.00 C ATOM 1772 CE LYS A 112 10.684 5.650 6.457 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.506 7.114 6.665 1.00 0.00 N ATOM 0 H LYS A 112 11.733 0.911 6.829 1.00 0.00 H new ATOM 0 HA LYS A 112 12.323 3.493 5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.355 2.231 8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.699 3.949 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.017 3.004 6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.291 2.797 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.694 4.988 6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.724 5.186 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.704 5.368 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.547 5.414 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.433 7.584 6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.896 7.499 5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.064 7.282 7.591 1.00 0.00 H new ATOM 1969 N ASP B 70 -12.521 3.298 7.270 1.00 0.00 N ATOM 1970 CA ASP B 70 -12.246 4.299 8.294 1.00 0.00 C ATOM 1971 C ASP B 70 -11.566 3.678 9.516 1.00 0.00 C ATOM 1972 O ASP B 70 -11.922 3.980 10.655 1.00 0.00 O ATOM 1973 CB ASP B 70 -13.550 4.980 8.708 1.00 0.00 C ATOM 1974 CG ASP B 70 -13.336 6.403 9.186 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -12.419 7.072 8.665 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -14.085 6.848 10.081 1.00 0.00 O ATOM 0 HA ASP B 70 -11.563 5.038 7.874 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -14.238 4.984 7.863 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -14.023 4.401 9.501 1.00 0.00 H new ATOM 1981 N ALA B 71 -10.585 2.814 9.270 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.852 2.155 10.348 1.00 0.00 C ATOM 1983 C ALA B 71 -8.475 1.705 9.867 1.00 0.00 C ATOM 1984 O ALA B 71 -8.120 0.533 9.985 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.646 0.965 10.882 1.00 0.00 C ATOM 0 H ALA B 71 -10.279 2.553 8.333 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.714 2.872 11.157 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.086 0.485 11.685 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.606 1.311 11.266 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -10.813 0.249 10.078 1.00 0.00 H new ATOM 1991 N THR B 72 -7.706 2.641 9.312 1.00 0.00 N ATOM 1992 CA THR B 72 -6.374 2.321 8.804 1.00 0.00 C ATOM 1993 C THR B 72 -5.387 3.480 8.952 1.00 0.00 C ATOM 1994 O THR B 72 -4.176 3.277 8.878 1.00 0.00 O ATOM 1995 CB THR B 72 -6.456 1.917 7.336 1.00 0.00 C ATOM 1996 OG1 THR B 72 -7.590 2.499 6.724 1.00 0.00 O ATOM 1997 CG2 THR B 72 -6.536 0.424 7.128 1.00 0.00 C ATOM 0 H THR B 72 -7.979 3.618 9.204 1.00 0.00 H new ATOM 0 HA THR B 72 -6.002 1.493 9.407 1.00 0.00 H new ATOM 0 HB THR B 72 -5.532 2.277 6.884 1.00 0.00 H new ATOM 0 HG1 THR B 72 -7.372 3.408 6.428 1.00 0.00 H new ATOM 0 HG21 THR B 72 -6.592 0.208 6.061 1.00 0.00 H new ATOM 0 HG22 THR B 72 -5.649 -0.050 7.548 1.00 0.00 H new ATOM 0 HG23 THR B 72 -7.425 0.035 7.624 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.895 4.694 9.139 1.00 0.00 N ATOM 2006 CA TRP B 73 -5.025 5.863 9.268 1.00 0.00 C ATOM 2007 C TRP B 73 -4.540 6.057 10.705 1.00 0.00 C ATOM 2008 O TRP B 73 -3.960 7.092 11.033 1.00 0.00 O ATOM 2009 CB TRP B 73 -5.741 7.132 8.790 1.00 0.00 C ATOM 2010 CG TRP B 73 -6.708 6.904 7.664 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -7.834 7.622 7.405 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -6.637 5.894 6.652 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -8.472 7.123 6.296 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -7.755 6.060 5.817 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -5.740 4.868 6.372 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -7.994 5.234 4.724 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -5.976 4.046 5.290 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -7.092 4.231 4.478 1.00 0.00 C ATOM 0 H TRP B 73 -6.893 4.896 9.204 1.00 0.00 H new ATOM 0 HA TRP B 73 -4.155 5.681 8.637 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -6.277 7.572 9.631 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -4.994 7.859 8.472 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -8.177 8.464 7.988 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -9.337 7.485 5.895 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -4.870 4.717 6.994 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -8.858 5.377 4.092 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -5.284 3.246 5.069 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -7.250 3.571 3.638 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.772 5.063 11.558 1.00 0.00 N ATOM 2030 CA ASP B 74 -4.348 5.142 12.952 1.00 0.00 C ATOM 2031 C ASP B 74 -3.508 3.928 13.349 1.00 0.00 C ATOM 2032 O ASP B 74 -3.119 3.790 14.509 1.00 0.00 O ATOM 2033 CB ASP B 74 -5.567 5.255 13.869 1.00 0.00 C ATOM 2034 CG ASP B 74 -5.247 5.960 15.172 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -5.375 7.201 15.223 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -4.868 5.271 16.143 1.00 0.00 O ATOM 0 H ASP B 74 -5.249 4.197 11.309 1.00 0.00 H new ATOM 0 HA ASP B 74 -3.729 6.033 13.063 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -6.359 5.796 13.351 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -5.951 4.258 14.083 1.00 0.00 H new ATOM 2041 N LEU B 75 -3.226 3.053 12.387 1.00 0.00 N ATOM 2042 CA LEU B 75 -2.427 1.861 12.653 1.00 0.00 C ATOM 2043 C LEU B 75 -1.253 1.748 11.685 1.00 0.00 C ATOM 2044 O LEU B 75 -0.479 0.792 11.749 1.00 0.00 O ATOM 2045 CB LEU B 75 -3.290 0.599 12.570 1.00 0.00 C ATOM 2046 CG LEU B 75 -4.258 0.528 11.383 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -5.429 1.471 11.587 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -3.548 0.837 10.071 1.00 0.00 C ATOM 0 H LEU B 75 -3.538 3.147 11.420 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.030 1.956 13.664 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.630 -0.267 12.528 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.867 0.516 13.491 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.639 -0.492 11.327 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -6.103 1.404 10.733 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.965 1.194 12.495 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -5.061 2.493 11.680 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -4.261 0.779 9.249 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -3.125 1.841 10.114 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.749 0.113 9.910 1.00 0.00 H new