USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 666 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 50 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: B 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 50 TYR OH : rot 150:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= -1.17 (180deg=-1.17) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc=-0.00156 (180deg=-0.14) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -1.17 (180deg=-1.78) USER MOD Single : A 26 THR OG1 : rot 81:sc= 0.887 USER MOD Single : A 29 LYS NZ :NH3+ 174:sc=-0.00404 (180deg=-0.0614) USER MOD Single : A 32 CYS SG : rot -100:sc= -4.5! USER MOD Single : A 34 LYS NZ :NH3+ -110:sc= -0.432 (180deg=-2.32!) USER MOD Single : A 35 ASN : amide:sc= 0.0707 X(o=0.071,f=-0.021) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00302 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.736 F(o=-1.9!,f=-0.74) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.0612 F(o=-3.9!,f=-0.061) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl 180:sc= -1.33 (180deg=-1.33) USER MOD Single : B 22 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.12) USER MOD Single : B 25 LYS NZ :NH3+ -167:sc= -1.2 (180deg=-1.81) USER MOD Single : B 26 THR OG1 : rot 82:sc= 0.945 USER MOD Single : B 29 LYS NZ :NH3+ 175:sc=-0.00119 (180deg=-0.0898) USER MOD Single : B 32 CYS SG : rot -108:sc= -4.59! USER MOD Single : B 34 LYS NZ :NH3+ -110:sc= -0.494 (180deg=-2.38!) USER MOD Single : B 35 ASN : amide:sc= 0.0721 X(o=0.072,f=-0.033) USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0.00117 USER MOD Single : B 41 GLN :FLIP amide:sc= -0.677 F(o=-1.9!,f=-0.68) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 GLN :FLIP amide:sc= -0.0426 F(o=-3.9!,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 62 N ALA A 14 -8.269 6.707 8.763 1.00 0.00 N ATOM 63 CA ALA A 14 -8.251 5.483 9.534 1.00 0.00 C ATOM 64 C ALA A 14 -6.821 5.110 9.873 1.00 0.00 C ATOM 65 O ALA A 14 -5.881 5.699 9.346 1.00 0.00 O ATOM 66 CB ALA A 14 -8.916 4.360 8.757 1.00 0.00 C ATOM 0 HA ALA A 14 -8.806 5.640 10.459 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.895 3.445 9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.950 4.629 8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.381 4.198 7.821 1.00 0.00 H new ATOM 72 N VAL A 15 -6.657 4.146 10.757 1.00 0.00 N ATOM 73 CA VAL A 15 -5.333 3.667 11.108 1.00 0.00 C ATOM 74 C VAL A 15 -5.141 2.274 10.538 1.00 0.00 C ATOM 75 O VAL A 15 -6.115 1.594 10.196 1.00 0.00 O ATOM 76 CB VAL A 15 -5.112 3.618 12.634 1.00 0.00 C ATOM 77 CG1 VAL A 15 -3.629 3.659 12.979 1.00 0.00 C ATOM 78 CG2 VAL A 15 -5.863 4.738 13.330 1.00 0.00 C ATOM 0 H VAL A 15 -7.421 3.679 11.245 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.609 4.366 10.689 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.511 2.670 12.996 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.506 3.623 14.061 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.127 2.803 12.528 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.191 4.580 12.595 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.690 4.680 14.405 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.510 5.699 12.957 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.930 4.641 13.129 1.00 0.00 H new ATOM 88 N PHE A 16 -3.898 1.855 10.432 1.00 0.00 N ATOM 89 CA PHE A 16 -3.581 0.560 9.867 1.00 0.00 C ATOM 90 C PHE A 16 -2.271 0.056 10.445 1.00 0.00 C ATOM 91 O PHE A 16 -1.242 0.715 10.315 1.00 0.00 O ATOM 92 CB PHE A 16 -3.482 0.675 8.346 1.00 0.00 C ATOM 93 CG PHE A 16 -3.745 -0.612 7.624 1.00 0.00 C ATOM 94 CD1 PHE A 16 -4.834 -1.396 7.968 1.00 0.00 C ATOM 95 CD2 PHE A 16 -2.915 -1.032 6.598 1.00 0.00 C ATOM 96 CE1 PHE A 16 -5.090 -2.576 7.302 1.00 0.00 C ATOM 97 CE2 PHE A 16 -3.169 -2.212 5.927 1.00 0.00 C ATOM 98 CZ PHE A 16 -4.256 -2.984 6.281 1.00 0.00 C ATOM 0 H PHE A 16 -3.086 2.395 10.731 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.370 -0.150 10.116 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.192 1.426 8.001 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.487 1.032 8.082 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.489 -1.080 8.766 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.062 -0.431 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.942 -3.180 7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.518 -2.530 5.126 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.454 -3.908 5.759 1.00 0.00 H new ATOM 108 N GLY A 17 -2.327 -1.095 11.099 1.00 0.00 N ATOM 109 CA GLY A 17 -1.141 -1.676 11.699 1.00 0.00 C ATOM 110 C GLY A 17 -0.929 -3.105 11.249 1.00 0.00 C ATOM 111 O GLY A 17 -1.529 -4.031 11.797 1.00 0.00 O ATOM 0 H GLY A 17 -3.179 -1.641 11.226 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.269 -1.078 11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.230 -1.646 12.785 1.00 0.00 H new ATOM 115 N ILE A 18 -0.089 -3.288 10.243 1.00 0.00 N ATOM 116 CA ILE A 18 0.106 -4.598 9.635 1.00 0.00 C ATOM 117 C ILE A 18 1.570 -5.018 9.637 1.00 0.00 C ATOM 118 O ILE A 18 2.457 -4.216 9.933 1.00 0.00 O ATOM 119 CB ILE A 18 -0.410 -4.609 8.188 1.00 0.00 C ATOM 120 CG1 ILE A 18 0.267 -3.502 7.367 1.00 0.00 C ATOM 121 CG2 ILE A 18 -1.917 -4.437 8.185 1.00 0.00 C ATOM 122 CD1 ILE A 18 0.024 -3.612 5.882 1.00 0.00 C ATOM 0 H ILE A 18 0.472 -2.544 9.828 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.460 -5.308 10.238 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.164 -5.566 7.727 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.093 -2.533 7.714 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.341 -3.529 7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.282 -4.445 7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.378 -5.254 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.176 -3.488 8.655 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.533 -2.796 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.409 -4.565 5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.046 -3.554 5.683 1.00 0.00 H new ATOM 134 N TYR A 19 1.811 -6.282 9.308 1.00 0.00 N ATOM 135 CA TYR A 19 3.163 -6.812 9.221 1.00 0.00 C ATOM 136 C TYR A 19 3.537 -7.067 7.768 1.00 0.00 C ATOM 137 O TYR A 19 3.216 -8.113 7.204 1.00 0.00 O ATOM 138 CB TYR A 19 3.297 -8.103 10.030 1.00 0.00 C ATOM 139 CG TYR A 19 2.983 -7.934 11.497 1.00 0.00 C ATOM 140 CD1 TYR A 19 3.844 -7.244 12.338 1.00 0.00 C ATOM 141 CD2 TYR A 19 1.823 -8.470 12.039 1.00 0.00 C ATOM 142 CE1 TYR A 19 3.557 -7.093 13.680 1.00 0.00 C ATOM 143 CE2 TYR A 19 1.530 -8.322 13.378 1.00 0.00 C ATOM 144 CZ TYR A 19 2.399 -7.635 14.196 1.00 0.00 C ATOM 145 OH TYR A 19 2.107 -7.488 15.534 1.00 0.00 O ATOM 0 H TYR A 19 1.081 -6.962 9.096 1.00 0.00 H new ATOM 0 HA TYR A 19 3.845 -6.072 9.640 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.631 -8.856 9.609 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.313 -8.483 9.926 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.752 -6.819 11.937 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.139 -9.011 11.402 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.236 -6.553 14.323 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.622 -8.743 13.784 1.00 0.00 H new ATOM 0 HH TYR A 19 1.254 -7.928 15.733 1.00 0.00 H new ATOM 155 N MET A 20 4.223 -6.107 7.180 1.00 0.00 N ATOM 156 CA MET A 20 4.607 -6.180 5.775 1.00 0.00 C ATOM 157 C MET A 20 6.114 -6.360 5.656 1.00 0.00 C ATOM 158 O MET A 20 6.853 -6.000 6.573 1.00 0.00 O ATOM 159 CB MET A 20 4.149 -4.916 5.030 1.00 0.00 C ATOM 160 CG MET A 20 4.783 -3.627 5.535 1.00 0.00 C ATOM 161 SD MET A 20 3.991 -2.149 4.861 1.00 0.00 S ATOM 162 CE MET A 20 4.332 -2.331 3.114 1.00 0.00 C ATOM 0 H MET A 20 4.531 -5.258 7.654 1.00 0.00 H new ATOM 0 HA MET A 20 4.118 -7.040 5.318 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.379 -5.029 3.971 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.066 -4.831 5.114 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.725 -3.601 6.623 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.841 -3.620 5.271 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.903 -1.490 2.570 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.410 -2.354 2.954 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.891 -3.260 2.752 1.00 0.00 H new ATOM 172 N ASP A 21 6.566 -6.918 4.535 1.00 0.00 N ATOM 173 CA ASP A 21 7.979 -7.217 4.344 1.00 0.00 C ATOM 174 C ASP A 21 8.839 -5.966 4.435 1.00 0.00 C ATOM 175 O ASP A 21 8.387 -4.856 4.138 1.00 0.00 O ATOM 176 CB ASP A 21 8.235 -7.910 3.005 1.00 0.00 C ATOM 177 CG ASP A 21 7.897 -9.388 3.034 1.00 0.00 C ATOM 178 OD1 ASP A 21 8.436 -10.116 3.895 1.00 0.00 O ATOM 179 OD2 ASP A 21 7.107 -9.837 2.178 1.00 0.00 O ATOM 0 H ASP A 21 5.972 -7.172 3.746 1.00 0.00 H new ATOM 0 HA ASP A 21 8.258 -7.894 5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.644 -7.422 2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.283 -7.787 2.732 1.00 0.00 H new ATOM 184 N LYS A 22 10.093 -6.160 4.811 1.00 0.00 N ATOM 185 CA LYS A 22 10.997 -5.063 5.062 1.00 0.00 C ATOM 186 C LYS A 22 11.492 -4.480 3.759 1.00 0.00 C ATOM 187 O LYS A 22 11.245 -3.321 3.478 1.00 0.00 O ATOM 188 CB LYS A 22 12.180 -5.536 5.901 1.00 0.00 C ATOM 189 CG LYS A 22 13.262 -4.482 6.083 1.00 0.00 C ATOM 190 CD LYS A 22 14.319 -4.933 7.076 1.00 0.00 C ATOM 191 CE LYS A 22 15.457 -3.931 7.173 1.00 0.00 C ATOM 192 NZ LYS A 22 16.268 -3.888 5.929 1.00 0.00 N ATOM 0 H LYS A 22 10.506 -7.082 4.949 1.00 0.00 H new ATOM 0 HA LYS A 22 10.459 -4.291 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.818 -5.845 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.618 -6.416 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.731 -4.271 5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.811 -3.552 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.864 -5.065 8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.712 -5.904 6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.051 -2.940 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.098 -4.191 8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.150 -3.367 6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.493 -4.858 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.729 -3.409 5.180 1.00 0.00 H new ATOM 206 N ASP A 23 12.169 -5.302 2.968 1.00 0.00 N ATOM 207 CA ASP A 23 12.770 -4.855 1.705 1.00 0.00 C ATOM 208 C ASP A 23 11.761 -4.104 0.835 1.00 0.00 C ATOM 209 O ASP A 23 12.112 -3.149 0.149 1.00 0.00 O ATOM 210 CB ASP A 23 13.334 -6.053 0.934 1.00 0.00 C ATOM 211 CG ASP A 23 13.832 -5.683 -0.452 1.00 0.00 C ATOM 212 OD1 ASP A 23 14.995 -5.237 -0.576 1.00 0.00 O ATOM 213 OD2 ASP A 23 13.064 -5.839 -1.422 1.00 0.00 O ATOM 0 H ASP A 23 12.320 -6.289 3.175 1.00 0.00 H new ATOM 0 HA ASP A 23 13.580 -4.167 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.153 -6.492 1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.562 -6.817 0.845 1.00 0.00 H new ATOM 218 N LEU A 24 10.510 -4.530 0.901 1.00 0.00 N ATOM 219 CA LEU A 24 9.433 -3.932 0.138 1.00 0.00 C ATOM 220 C LEU A 24 9.002 -2.596 0.758 1.00 0.00 C ATOM 221 O LEU A 24 9.019 -1.565 0.084 1.00 0.00 O ATOM 222 CB LEU A 24 8.292 -4.959 0.082 1.00 0.00 C ATOM 223 CG LEU A 24 6.932 -4.511 -0.452 1.00 0.00 C ATOM 224 CD1 LEU A 24 6.079 -4.051 0.709 1.00 0.00 C ATOM 225 CD2 LEU A 24 7.061 -3.414 -1.505 1.00 0.00 C ATOM 0 H LEU A 24 10.214 -5.307 1.491 1.00 0.00 H new ATOM 0 HA LEU A 24 9.751 -3.693 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.629 -5.796 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.142 -5.343 1.091 1.00 0.00 H new ATOM 0 HG LEU A 24 6.456 -5.357 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.105 -3.729 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.947 -4.874 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.569 -3.219 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.069 -3.128 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.556 -2.547 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.650 -3.783 -2.345 1.00 0.00 H new ATOM 237 N LYS A 25 8.628 -2.610 2.036 1.00 0.00 N ATOM 238 CA LYS A 25 8.224 -1.389 2.720 1.00 0.00 C ATOM 239 C LYS A 25 9.377 -0.392 2.708 1.00 0.00 C ATOM 240 O LYS A 25 9.184 0.823 2.650 1.00 0.00 O ATOM 241 CB LYS A 25 7.845 -1.710 4.164 1.00 0.00 C ATOM 242 CG LYS A 25 7.138 -0.575 4.876 1.00 0.00 C ATOM 243 CD LYS A 25 6.977 -0.862 6.359 1.00 0.00 C ATOM 244 CE LYS A 25 8.177 -0.392 7.173 1.00 0.00 C ATOM 245 NZ LYS A 25 9.445 -1.064 6.783 1.00 0.00 N ATOM 0 H LYS A 25 8.597 -3.450 2.614 1.00 0.00 H new ATOM 0 HA LYS A 25 7.364 -0.957 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.202 -2.590 4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.747 -1.968 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.703 0.348 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.158 -0.417 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.076 -0.370 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.838 -1.933 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.291 0.685 7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.986 -0.575 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.158 -0.918 7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.275 -2.083 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.790 -0.662 5.888 1.00 0.00 H new ATOM 259 N THR A 26 10.578 -0.941 2.740 1.00 0.00 N ATOM 260 CA THR A 26 11.800 -0.157 2.782 1.00 0.00 C ATOM 261 C THR A 26 12.147 0.378 1.394 1.00 0.00 C ATOM 262 O THR A 26 12.689 1.471 1.256 1.00 0.00 O ATOM 263 CB THR A 26 12.965 -0.991 3.361 1.00 0.00 C ATOM 264 OG1 THR A 26 12.651 -1.371 4.708 1.00 0.00 O ATOM 265 CG2 THR A 26 14.276 -0.217 3.350 1.00 0.00 C ATOM 0 H THR A 26 10.734 -1.949 2.738 1.00 0.00 H new ATOM 0 HA THR A 26 11.637 0.696 3.441 1.00 0.00 H new ATOM 0 HB THR A 26 13.091 -1.873 2.733 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.056 -2.149 4.698 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.069 -0.839 3.765 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.528 0.057 2.326 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.171 0.686 3.951 1.00 0.00 H new ATOM 273 N ARG A 27 11.809 -0.393 0.372 1.00 0.00 N ATOM 274 CA ARG A 27 11.917 0.064 -1.008 1.00 0.00 C ATOM 275 C ARG A 27 11.102 1.340 -1.189 1.00 0.00 C ATOM 276 O ARG A 27 11.588 2.345 -1.710 1.00 0.00 O ATOM 277 CB ARG A 27 11.421 -1.044 -1.952 1.00 0.00 C ATOM 278 CG ARG A 27 10.976 -0.567 -3.321 1.00 0.00 C ATOM 279 CD ARG A 27 12.113 0.075 -4.110 1.00 0.00 C ATOM 280 NE ARG A 27 13.266 -0.815 -4.241 1.00 0.00 N ATOM 281 CZ ARG A 27 14.516 -0.397 -4.440 1.00 0.00 C ATOM 282 NH1 ARG A 27 14.773 0.892 -4.626 1.00 0.00 N ATOM 283 NH2 ARG A 27 15.509 -1.275 -4.481 1.00 0.00 N ATOM 0 H ARG A 27 11.455 -1.344 0.472 1.00 0.00 H new ATOM 0 HA ARG A 27 12.957 0.284 -1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.219 -1.776 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.588 -1.561 -1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.577 -1.410 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.165 0.152 -3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.754 0.351 -5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.421 0.996 -3.615 1.00 0.00 H new ATOM 0 HE ARG A 27 13.103 -1.820 -4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.011 1.570 -4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.732 1.204 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.316 -2.269 -4.360 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.466 -0.956 -4.633 1.00 0.00 H new ATOM 297 N LEU A 28 9.860 1.279 -0.744 1.00 0.00 N ATOM 298 CA LEU A 28 8.971 2.432 -0.743 1.00 0.00 C ATOM 299 C LEU A 28 9.513 3.538 0.171 1.00 0.00 C ATOM 300 O LEU A 28 9.346 4.723 -0.115 1.00 0.00 O ATOM 301 CB LEU A 28 7.582 1.973 -0.301 1.00 0.00 C ATOM 302 CG LEU A 28 6.433 2.969 -0.451 1.00 0.00 C ATOM 303 CD1 LEU A 28 6.435 3.952 0.691 1.00 0.00 C ATOM 304 CD2 LEU A 28 6.509 3.688 -1.785 1.00 0.00 C ATOM 0 H LEU A 28 9.437 0.429 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 28 8.909 2.853 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.327 1.077 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.641 1.682 0.748 1.00 0.00 H new ATOM 0 HG LEU A 28 5.495 2.415 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.610 4.654 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.318 3.416 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.378 4.498 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.680 4.391 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.452 4.230 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.449 2.960 -2.594 1.00 0.00 H new ATOM 316 N LYS A 29 10.156 3.152 1.268 1.00 0.00 N ATOM 317 CA LYS A 29 10.795 4.117 2.162 1.00 0.00 C ATOM 318 C LYS A 29 11.819 4.945 1.393 1.00 0.00 C ATOM 319 O LYS A 29 11.915 6.157 1.572 1.00 0.00 O ATOM 320 CB LYS A 29 11.444 3.389 3.354 1.00 0.00 C ATOM 321 CG LYS A 29 12.168 4.290 4.348 1.00 0.00 C ATOM 322 CD LYS A 29 13.600 4.581 3.918 1.00 0.00 C ATOM 323 CE LYS A 29 14.244 5.639 4.799 1.00 0.00 C ATOM 324 NZ LYS A 29 14.258 5.249 6.234 1.00 0.00 N ATOM 0 H LYS A 29 10.250 2.180 1.561 1.00 0.00 H new ATOM 0 HA LYS A 29 10.039 4.796 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.670 2.836 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.153 2.656 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.623 5.228 4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.174 3.816 5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.187 3.664 3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.608 4.916 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.266 5.815 4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.705 6.580 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.796 5.952 6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.282 5.205 6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.706 4.316 6.336 1.00 0.00 H new ATOM 338 N VAL A 30 12.558 4.280 0.519 1.00 0.00 N ATOM 339 CA VAL A 30 13.545 4.943 -0.320 1.00 0.00 C ATOM 340 C VAL A 30 12.869 5.861 -1.321 1.00 0.00 C ATOM 341 O VAL A 30 13.378 6.929 -1.662 1.00 0.00 O ATOM 342 CB VAL A 30 14.412 3.908 -1.048 1.00 0.00 C ATOM 343 CG1 VAL A 30 15.434 4.578 -1.950 1.00 0.00 C ATOM 344 CG2 VAL A 30 15.085 3.015 -0.023 1.00 0.00 C ATOM 0 H VAL A 30 12.492 3.273 0.371 1.00 0.00 H new ATOM 0 HA VAL A 30 14.187 5.547 0.321 1.00 0.00 H new ATOM 0 HB VAL A 30 13.776 3.299 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.032 3.817 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.919 5.184 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.085 5.215 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.703 2.277 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.710 3.621 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.326 2.505 0.570 1.00 0.00 H new ATOM 354 N TYR A 31 11.702 5.448 -1.759 1.00 0.00 N ATOM 355 CA TYR A 31 10.887 6.253 -2.639 1.00 0.00 C ATOM 356 C TYR A 31 10.437 7.519 -1.915 1.00 0.00 C ATOM 357 O TYR A 31 10.410 8.613 -2.495 1.00 0.00 O ATOM 358 CB TYR A 31 9.682 5.445 -3.104 1.00 0.00 C ATOM 359 CG TYR A 31 8.771 6.222 -4.009 1.00 0.00 C ATOM 360 CD1 TYR A 31 9.196 6.609 -5.264 1.00 0.00 C ATOM 361 CD2 TYR A 31 7.497 6.578 -3.605 1.00 0.00 C ATOM 362 CE1 TYR A 31 8.378 7.332 -6.099 1.00 0.00 C ATOM 363 CE2 TYR A 31 6.669 7.306 -4.429 1.00 0.00 C ATOM 364 CZ TYR A 31 7.113 7.682 -5.681 1.00 0.00 C ATOM 365 OH TYR A 31 6.296 8.419 -6.511 1.00 0.00 O ATOM 0 H TYR A 31 11.292 4.546 -1.516 1.00 0.00 H new ATOM 0 HA TYR A 31 11.472 6.543 -3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.029 4.553 -3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.120 5.108 -2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.188 6.339 -5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.146 6.280 -2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.726 7.624 -7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.678 7.581 -4.098 1.00 0.00 H new ATOM 0 HH TYR A 31 5.438 8.580 -6.066 1.00 0.00 H new ATOM 375 N CYS A 32 10.114 7.365 -0.636 1.00 0.00 N ATOM 376 CA CYS A 32 9.696 8.489 0.194 1.00 0.00 C ATOM 377 C CYS A 32 10.891 9.345 0.584 1.00 0.00 C ATOM 378 O CYS A 32 10.745 10.508 0.932 1.00 0.00 O ATOM 379 CB CYS A 32 8.982 7.989 1.447 1.00 0.00 C ATOM 380 SG CYS A 32 7.531 6.982 1.100 1.00 0.00 S ATOM 0 H CYS A 32 10.134 6.469 -0.149 1.00 0.00 H new ATOM 0 HA CYS A 32 9.005 9.101 -0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.683 7.407 2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.683 8.846 2.050 1.00 0.00 H new ATOM 0 HG CYS A 32 6.459 7.706 1.231 1.00 0.00 H new ATOM 386 N ALA A 33 12.072 8.762 0.524 1.00 0.00 N ATOM 387 CA ALA A 33 13.295 9.493 0.798 1.00 0.00 C ATOM 388 C ALA A 33 13.720 10.286 -0.433 1.00 0.00 C ATOM 389 O ALA A 33 14.230 11.398 -0.327 1.00 0.00 O ATOM 390 CB ALA A 33 14.389 8.529 1.223 1.00 0.00 C ATOM 0 H ALA A 33 12.212 7.780 0.287 1.00 0.00 H new ATOM 0 HA ALA A 33 13.118 10.196 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.304 9.085 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.078 7.999 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.571 7.810 0.424 1.00 0.00 H new ATOM 396 N LYS A 34 13.481 9.702 -1.600 1.00 0.00 N ATOM 397 CA LYS A 34 13.841 10.311 -2.868 1.00 0.00 C ATOM 398 C LYS A 34 12.958 11.509 -3.176 1.00 0.00 C ATOM 399 O LYS A 34 13.442 12.576 -3.551 1.00 0.00 O ATOM 400 CB LYS A 34 13.725 9.267 -3.986 1.00 0.00 C ATOM 401 CG LYS A 34 14.101 9.784 -5.363 1.00 0.00 C ATOM 402 CD LYS A 34 13.791 8.774 -6.469 1.00 0.00 C ATOM 403 CE LYS A 34 14.776 7.607 -6.500 1.00 0.00 C ATOM 404 NZ LYS A 34 14.501 6.582 -5.456 1.00 0.00 N ATOM 0 H LYS A 34 13.031 8.791 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 34 14.870 10.665 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.364 8.418 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.700 8.897 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.562 10.711 -5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.164 10.023 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.782 8.387 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.807 9.282 -7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.740 7.135 -7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.788 7.990 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.249 6.612 -4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.582 6.778 -5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.480 5.638 -5.893 1.00 0.00 H new ATOM 418 N ASN A 35 11.661 11.330 -3.002 1.00 0.00 N ATOM 419 CA ASN A 35 10.704 12.386 -3.296 1.00 0.00 C ATOM 420 C ASN A 35 10.395 13.176 -2.044 1.00 0.00 C ATOM 421 O ASN A 35 9.583 14.101 -2.066 1.00 0.00 O ATOM 422 CB ASN A 35 9.410 11.795 -3.857 1.00 0.00 C ATOM 423 CG ASN A 35 9.603 11.141 -5.209 1.00 0.00 C ATOM 424 OD1 ASN A 35 9.453 11.784 -6.248 1.00 0.00 O ATOM 425 ND2 ASN A 35 9.941 9.861 -5.209 1.00 0.00 N ATOM 0 H ASN A 35 11.244 10.464 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 35 11.145 13.048 -4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.017 11.059 -3.155 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.663 12.584 -3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.087 9.372 -6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.056 9.364 -4.326 1.00 0.00 H new ATOM 432 N ASN A 36 11.051 12.792 -0.951 1.00 0.00 N ATOM 433 CA ASN A 36 10.784 13.382 0.364 1.00 0.00 C ATOM 434 C ASN A 36 9.310 13.219 0.747 1.00 0.00 C ATOM 435 O ASN A 36 8.787 13.966 1.576 1.00 0.00 O ATOM 436 CB ASN A 36 11.176 14.863 0.400 1.00 0.00 C ATOM 437 CG ASN A 36 12.677 15.080 0.476 1.00 0.00 C ATOM 438 OD1 ASN A 36 13.294 14.853 1.517 1.00 0.00 O ATOM 439 ND2 ASN A 36 13.269 15.577 -0.601 1.00 0.00 N ATOM 0 H ASN A 36 11.774 12.073 -0.948 1.00 0.00 H new ATOM 0 HA ASN A 36 11.396 12.848 1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.788 15.357 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.702 15.337 1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.268 15.784 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.726 15.752 -1.446 1.00 0.00 H new ATOM 446 N LEU A 37 8.655 12.230 0.138 1.00 0.00 N ATOM 447 CA LEU A 37 7.249 11.947 0.394 1.00 0.00 C ATOM 448 C LEU A 37 7.041 11.369 1.784 1.00 0.00 C ATOM 449 O LEU A 37 7.989 10.954 2.455 1.00 0.00 O ATOM 450 CB LEU A 37 6.715 10.952 -0.642 1.00 0.00 C ATOM 451 CG LEU A 37 5.674 11.505 -1.615 1.00 0.00 C ATOM 452 CD1 LEU A 37 6.231 12.687 -2.395 1.00 0.00 C ATOM 453 CD2 LEU A 37 5.207 10.410 -2.563 1.00 0.00 C ATOM 0 H LEU A 37 9.086 11.606 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 37 6.707 12.890 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.557 10.569 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.278 10.105 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 37 4.819 11.857 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.471 13.062 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.517 13.478 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.105 12.369 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.466 10.816 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.058 10.031 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.762 9.597 -1.989 1.00 0.00 H new ATOM 465 N GLN A 38 5.789 11.345 2.204 1.00 0.00 N ATOM 466 CA GLN A 38 5.423 10.733 3.462 1.00 0.00 C ATOM 467 C GLN A 38 5.154 9.257 3.245 1.00 0.00 C ATOM 468 O GLN A 38 4.454 8.900 2.297 1.00 0.00 O ATOM 469 CB GLN A 38 4.181 11.397 4.053 1.00 0.00 C ATOM 470 CG GLN A 38 4.372 12.869 4.358 1.00 0.00 C ATOM 471 CD GLN A 38 3.088 13.535 4.825 1.00 0.00 C ATOM 472 OE1 GLN A 38 2.321 14.054 4.018 1.00 0.00 O ATOM 473 NE2 GLN A 38 2.847 13.532 6.130 1.00 0.00 N ATOM 0 H GLN A 38 5.007 11.746 1.687 1.00 0.00 H new ATOM 0 HA GLN A 38 6.248 10.862 4.162 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.351 11.283 3.356 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.902 10.877 4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.137 12.982 5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.738 13.378 3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.508 13.091 6.770 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.001 13.971 6.493 1.00 0.00 H new ATOM 482 N LEU A 39 5.720 8.416 4.098 1.00 0.00 N ATOM 483 CA LEU A 39 5.534 6.968 4.003 1.00 0.00 C ATOM 484 C LEU A 39 4.065 6.617 3.777 1.00 0.00 C ATOM 485 O LEU A 39 3.724 5.877 2.853 1.00 0.00 O ATOM 486 CB LEU A 39 6.038 6.286 5.278 1.00 0.00 C ATOM 487 CG LEU A 39 7.076 5.177 5.075 1.00 0.00 C ATOM 488 CD1 LEU A 39 6.609 4.180 4.031 1.00 0.00 C ATOM 489 CD2 LEU A 39 8.422 5.765 4.685 1.00 0.00 C ATOM 0 H LEU A 39 6.317 8.710 4.871 1.00 0.00 H new ATOM 0 HA LEU A 39 6.110 6.610 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.469 7.047 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.182 5.865 5.805 1.00 0.00 H new ATOM 0 HG LEU A 39 7.192 4.649 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.364 3.404 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.672 3.727 4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.455 4.693 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.144 4.960 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.319 6.325 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.770 6.432 5.474 1.00 0.00 H new ATOM 501 N THR A 40 3.203 7.188 4.604 1.00 0.00 N ATOM 502 CA THR A 40 1.776 6.933 4.527 1.00 0.00 C ATOM 503 C THR A 40 1.202 7.363 3.184 1.00 0.00 C ATOM 504 O THR A 40 0.489 6.597 2.537 1.00 0.00 O ATOM 505 CB THR A 40 1.039 7.673 5.651 1.00 0.00 C ATOM 506 OG1 THR A 40 1.741 7.499 6.889 1.00 0.00 O ATOM 507 CG2 THR A 40 -0.388 7.170 5.794 1.00 0.00 C ATOM 0 H THR A 40 3.472 7.837 5.343 1.00 0.00 H new ATOM 0 HA THR A 40 1.632 5.858 4.637 1.00 0.00 H new ATOM 0 HB THR A 40 1.004 8.732 5.396 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.268 7.975 7.603 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.886 7.712 6.598 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.926 7.331 4.860 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.377 6.105 6.027 1.00 0.00 H new ATOM 515 N GLN A 41 1.528 8.583 2.768 1.00 0.00 N ATOM 516 CA GLN A 41 1.041 9.119 1.506 1.00 0.00 C ATOM 517 C GLN A 41 1.410 8.192 0.352 1.00 0.00 C ATOM 518 O GLN A 41 0.628 7.988 -0.572 1.00 0.00 O ATOM 519 CB GLN A 41 1.635 10.508 1.279 1.00 0.00 C ATOM 520 CG GLN A 41 1.015 11.262 0.113 1.00 0.00 C ATOM 521 CD GLN A 41 1.657 12.619 -0.110 1.00 0.00 C ATOM 522 OE1 GLN A 41 2.684 12.659 -0.943 1.00 0.00 O flip ATOM 523 NE2 GLN A 41 1.234 13.621 0.464 1.00 0.00 N flip ATOM 0 H GLN A 41 2.130 9.220 3.290 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.046 9.194 1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.511 11.098 2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.707 10.410 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.111 10.665 -0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.051 11.394 0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.439 13.548 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.678 14.525 0.305 1.00 0.00 H new ATOM 532 N ALA A 42 2.602 7.618 0.432 1.00 0.00 N ATOM 533 CA ALA A 42 3.082 6.695 -0.585 1.00 0.00 C ATOM 534 C ALA A 42 2.288 5.400 -0.565 1.00 0.00 C ATOM 535 O ALA A 42 1.888 4.905 -1.613 1.00 0.00 O ATOM 536 CB ALA A 42 4.546 6.412 -0.373 1.00 0.00 C ATOM 0 H ALA A 42 3.258 7.777 1.197 1.00 0.00 H new ATOM 0 HA ALA A 42 2.945 7.160 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.897 5.720 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.110 7.343 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.692 5.968 0.612 1.00 0.00 H new ATOM 542 N ILE A 43 2.061 4.852 0.627 1.00 0.00 N ATOM 543 CA ILE A 43 1.243 3.652 0.768 1.00 0.00 C ATOM 544 C ILE A 43 -0.144 3.880 0.182 1.00 0.00 C ATOM 545 O ILE A 43 -0.653 3.051 -0.564 1.00 0.00 O ATOM 546 CB ILE A 43 1.099 3.212 2.249 1.00 0.00 C ATOM 547 CG1 ILE A 43 2.181 2.199 2.629 1.00 0.00 C ATOM 548 CG2 ILE A 43 -0.288 2.640 2.513 1.00 0.00 C ATOM 549 CD1 ILE A 43 3.583 2.761 2.609 1.00 0.00 C ATOM 0 H ILE A 43 2.430 5.218 1.504 1.00 0.00 H new ATOM 0 HA ILE A 43 1.754 2.858 0.223 1.00 0.00 H new ATOM 0 HB ILE A 43 1.229 4.096 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.969 1.814 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.130 1.353 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.364 2.339 3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.041 3.398 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.452 1.773 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.291 1.982 2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.817 3.120 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.654 3.587 3.316 1.00 0.00 H new ATOM 561 N GLU A 44 -0.739 5.007 0.533 1.00 0.00 N ATOM 562 CA GLU A 44 -2.086 5.338 0.089 1.00 0.00 C ATOM 563 C GLU A 44 -2.145 5.461 -1.427 1.00 0.00 C ATOM 564 O GLU A 44 -3.056 4.938 -2.058 1.00 0.00 O ATOM 565 CB GLU A 44 -2.560 6.633 0.742 1.00 0.00 C ATOM 566 CG GLU A 44 -2.639 6.559 2.257 1.00 0.00 C ATOM 567 CD GLU A 44 -3.112 7.853 2.879 1.00 0.00 C ATOM 568 OE1 GLU A 44 -4.337 8.022 3.040 1.00 0.00 O ATOM 569 OE2 GLU A 44 -2.268 8.709 3.207 1.00 0.00 O ATOM 0 H GLU A 44 -0.308 5.714 1.129 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.750 4.528 0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.883 7.440 0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.543 6.890 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.316 5.754 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.657 6.306 2.656 1.00 0.00 H new ATOM 576 N GLU A 45 -1.172 6.145 -2.005 1.00 0.00 N ATOM 577 CA GLU A 45 -1.069 6.237 -3.453 1.00 0.00 C ATOM 578 C GLU A 45 -0.786 4.864 -4.049 1.00 0.00 C ATOM 579 O GLU A 45 -1.256 4.540 -5.140 1.00 0.00 O ATOM 580 CB GLU A 45 0.030 7.224 -3.848 1.00 0.00 C ATOM 581 CG GLU A 45 -0.282 8.660 -3.469 1.00 0.00 C ATOM 582 CD GLU A 45 -1.448 9.233 -4.249 1.00 0.00 C ATOM 583 OE1 GLU A 45 -2.609 8.911 -3.928 1.00 0.00 O ATOM 584 OE2 GLU A 45 -1.202 10.019 -5.187 1.00 0.00 O ATOM 0 H GLU A 45 -0.443 6.644 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.018 6.600 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.964 6.925 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.189 7.167 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.504 8.710 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.601 9.276 -3.639 1.00 0.00 H new ATOM 591 N ALA A 46 -0.030 4.055 -3.311 1.00 0.00 N ATOM 592 CA ALA A 46 0.292 2.708 -3.739 1.00 0.00 C ATOM 593 C ALA A 46 -0.961 1.862 -3.823 1.00 0.00 C ATOM 594 O ALA A 46 -1.281 1.302 -4.866 1.00 0.00 O ATOM 595 CB ALA A 46 1.288 2.065 -2.783 1.00 0.00 C ATOM 0 H ALA A 46 0.370 4.316 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 46 0.744 2.767 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.517 1.054 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.204 2.656 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.857 2.024 -1.783 1.00 0.00 H new ATOM 601 N ILE A 47 -1.675 1.795 -2.710 1.00 0.00 N ATOM 602 CA ILE A 47 -2.870 1.001 -2.607 1.00 0.00 C ATOM 603 C ILE A 47 -3.982 1.548 -3.506 1.00 0.00 C ATOM 604 O ILE A 47 -4.806 0.796 -4.023 1.00 0.00 O ATOM 605 CB ILE A 47 -3.316 0.928 -1.130 1.00 0.00 C ATOM 606 CG1 ILE A 47 -4.509 0.004 -0.959 1.00 0.00 C ATOM 607 CG2 ILE A 47 -3.628 2.307 -0.579 1.00 0.00 C ATOM 608 CD1 ILE A 47 -4.838 -0.263 0.490 1.00 0.00 C ATOM 0 H ILE A 47 -1.433 2.295 -1.854 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.654 -0.009 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.483 0.516 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.377 0.444 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.305 -0.942 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.939 2.221 0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.738 2.934 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.431 2.758 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.699 -0.929 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.982 -0.730 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.071 0.677 0.989 1.00 0.00 H new ATOM 620 N LYS A 48 -3.974 2.856 -3.720 1.00 0.00 N ATOM 621 CA LYS A 48 -4.951 3.504 -4.585 1.00 0.00 C ATOM 622 C LYS A 48 -4.750 3.097 -6.040 1.00 0.00 C ATOM 623 O LYS A 48 -5.673 2.591 -6.685 1.00 0.00 O ATOM 624 CB LYS A 48 -4.835 5.024 -4.433 1.00 0.00 C ATOM 625 CG LYS A 48 -5.632 5.852 -5.444 1.00 0.00 C ATOM 626 CD LYS A 48 -7.119 5.503 -5.491 1.00 0.00 C ATOM 627 CE LYS A 48 -7.816 5.677 -4.153 1.00 0.00 C ATOM 628 NZ LYS A 48 -9.288 5.830 -4.315 1.00 0.00 N ATOM 0 H LYS A 48 -3.296 3.494 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.950 3.185 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.161 5.297 -3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.784 5.300 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.524 6.909 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.203 5.709 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.610 6.132 -6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.233 4.471 -5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.607 4.815 -3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.413 6.552 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.730 5.946 -3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.488 6.667 -4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.676 4.984 -4.778 1.00 0.00 H new ATOM 642 N GLU A 49 -3.542 3.300 -6.553 1.00 0.00 N ATOM 643 CA GLU A 49 -3.242 2.945 -7.936 1.00 0.00 C ATOM 644 C GLU A 49 -3.209 1.437 -8.110 1.00 0.00 C ATOM 645 O GLU A 49 -3.213 0.933 -9.231 1.00 0.00 O ATOM 646 CB GLU A 49 -1.906 3.566 -8.396 1.00 0.00 C ATOM 647 CG GLU A 49 -2.012 4.993 -8.949 1.00 0.00 C ATOM 648 CD GLU A 49 -0.693 5.732 -8.952 1.00 0.00 C ATOM 649 OE1 GLU A 49 0.281 5.227 -9.551 1.00 0.00 O ATOM 650 OE2 GLU A 49 -0.635 6.847 -8.386 1.00 0.00 O ATOM 0 H GLU A 49 -2.760 3.705 -6.038 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.038 3.351 -8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.215 3.569 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.470 2.926 -9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.401 4.953 -9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.733 5.553 -8.354 1.00 0.00 H new ATOM 657 N TYR A 50 -3.207 0.721 -7.002 1.00 0.00 N ATOM 658 CA TYR A 50 -3.220 -0.718 -7.027 1.00 0.00 C ATOM 659 C TYR A 50 -4.615 -1.221 -7.349 1.00 0.00 C ATOM 660 O TYR A 50 -4.789 -2.101 -8.189 1.00 0.00 O ATOM 661 CB TYR A 50 -2.748 -1.258 -5.688 1.00 0.00 C ATOM 662 CG TYR A 50 -2.927 -2.740 -5.513 1.00 0.00 C ATOM 663 CD1 TYR A 50 -2.148 -3.636 -6.224 1.00 0.00 C ATOM 664 CD2 TYR A 50 -3.854 -3.235 -4.613 1.00 0.00 C ATOM 665 CE1 TYR A 50 -2.289 -4.996 -6.043 1.00 0.00 C ATOM 666 CE2 TYR A 50 -4.006 -4.596 -4.424 1.00 0.00 C ATOM 667 CZ TYR A 50 -3.219 -5.472 -5.142 1.00 0.00 C ATOM 668 OH TYR A 50 -3.362 -6.827 -4.959 1.00 0.00 O ATOM 0 H TYR A 50 -3.196 1.124 -6.065 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.542 -1.072 -7.804 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.692 -1.016 -5.565 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.288 -0.744 -4.893 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.420 -3.265 -6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.468 -2.548 -4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.675 -5.685 -6.604 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.735 -4.970 -3.720 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.651 -7.004 -4.039 1.00 0.00 H new ATOM 678 N LEU A 51 -5.608 -0.644 -6.686 1.00 0.00 N ATOM 679 CA LEU A 51 -6.995 -0.989 -6.945 1.00 0.00 C ATOM 680 C LEU A 51 -7.382 -0.687 -8.382 1.00 0.00 C ATOM 681 O LEU A 51 -8.117 -1.446 -8.997 1.00 0.00 O ATOM 682 CB LEU A 51 -7.946 -0.265 -5.994 1.00 0.00 C ATOM 683 CG LEU A 51 -8.277 -1.005 -4.693 1.00 0.00 C ATOM 684 CD1 LEU A 51 -7.917 -2.482 -4.791 1.00 0.00 C ATOM 685 CD2 LEU A 51 -7.591 -0.345 -3.508 1.00 0.00 C ATOM 0 H LEU A 51 -5.476 0.065 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.086 -2.062 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.510 0.701 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.877 -0.065 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.354 -0.942 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.163 -2.980 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.480 -2.941 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.850 -2.584 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.840 -0.887 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.511 -0.362 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.929 0.688 -3.421 1.00 0.00 H new ATOM 697 N GLN A 52 -6.878 0.407 -8.928 1.00 0.00 N ATOM 698 CA GLN A 52 -7.213 0.766 -10.307 1.00 0.00 C ATOM 699 C GLN A 52 -6.429 -0.076 -11.301 1.00 0.00 C ATOM 700 O GLN A 52 -6.879 -0.320 -12.422 1.00 0.00 O ATOM 701 CB GLN A 52 -6.986 2.251 -10.587 1.00 0.00 C ATOM 702 CG GLN A 52 -8.185 3.126 -10.260 1.00 0.00 C ATOM 703 CD GLN A 52 -8.385 3.323 -8.775 1.00 0.00 C ATOM 704 OE1 GLN A 52 -7.824 4.397 -8.255 1.00 0.00 O flip ATOM 705 NE2 GLN A 52 -9.057 2.537 -8.106 1.00 0.00 N flip ATOM 0 H GLN A 52 -6.248 1.054 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.276 0.560 -10.432 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.129 2.594 -10.008 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.731 2.378 -11.639 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.059 4.098 -10.736 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.082 2.677 -10.685 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.474 1.718 -8.548 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.197 2.705 -7.110 1.00 0.00 H new ATOM 844 N ALA B 14 8.313 -6.627 8.804 1.00 0.00 N ATOM 845 CA ALA B 14 8.296 -5.401 9.571 1.00 0.00 C ATOM 846 C ALA B 14 6.865 -5.027 9.905 1.00 0.00 C ATOM 847 O ALA B 14 5.927 -5.615 9.378 1.00 0.00 O ATOM 848 CB ALA B 14 8.958 -4.283 8.791 1.00 0.00 C ATOM 0 HA ALA B 14 8.851 -5.554 10.496 1.00 0.00 H new ATOM 0 HB1 ALA B 14 8.938 -3.366 9.381 1.00 0.00 H new ATOM 0 HB2 ALA B 14 9.992 -4.553 8.575 1.00 0.00 H new ATOM 0 HB3 ALA B 14 8.421 -4.125 7.856 1.00 0.00 H new ATOM 854 N VAL B 15 6.698 -4.055 10.777 1.00 0.00 N ATOM 855 CA VAL B 15 5.372 -3.580 11.125 1.00 0.00 C ATOM 856 C VAL B 15 5.176 -2.190 10.548 1.00 0.00 C ATOM 857 O VAL B 15 6.147 -1.505 10.215 1.00 0.00 O ATOM 858 CB VAL B 15 5.151 -3.523 12.650 1.00 0.00 C ATOM 859 CG1 VAL B 15 3.668 -3.560 12.991 1.00 0.00 C ATOM 860 CG2 VAL B 15 5.902 -4.638 13.357 1.00 0.00 C ATOM 0 H VAL B 15 7.461 -3.578 11.258 1.00 0.00 H new ATOM 0 HA VAL B 15 4.650 -4.284 10.710 1.00 0.00 H new ATOM 0 HB VAL B 15 5.552 -2.575 13.007 1.00 0.00 H new ATOM 0 HG11 VAL B 15 3.542 -3.519 14.073 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.168 -2.706 12.535 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.230 -4.483 12.610 1.00 0.00 H new ATOM 0 HG21 VAL B 15 5.726 -4.571 14.431 1.00 0.00 H new ATOM 0 HG22 VAL B 15 5.550 -5.603 12.991 1.00 0.00 H new ATOM 0 HG23 VAL B 15 6.969 -4.542 13.157 1.00 0.00 H new ATOM 870 N PHE B 16 3.933 -1.773 10.440 1.00 0.00 N ATOM 871 CA PHE B 16 3.617 -0.480 9.869 1.00 0.00 C ATOM 872 C PHE B 16 2.304 0.030 10.441 1.00 0.00 C ATOM 873 O PHE B 16 1.274 -0.626 10.311 1.00 0.00 O ATOM 874 CB PHE B 16 3.525 -0.598 8.349 1.00 0.00 C ATOM 875 CG PHE B 16 3.787 0.689 7.623 1.00 0.00 C ATOM 876 CD1 PHE B 16 4.874 1.474 7.965 1.00 0.00 C ATOM 877 CD2 PHE B 16 2.960 1.105 6.594 1.00 0.00 C ATOM 878 CE1 PHE B 16 5.134 2.652 7.295 1.00 0.00 C ATOM 879 CE2 PHE B 16 3.217 2.281 5.917 1.00 0.00 C ATOM 880 CZ PHE B 16 4.303 3.054 6.269 1.00 0.00 C ATOM 0 H PHE B 16 3.121 -2.312 10.741 1.00 0.00 H new ATOM 0 HA PHE B 16 4.406 0.229 10.120 1.00 0.00 H new ATOM 0 HB2 PHE B 16 4.239 -1.348 8.009 1.00 0.00 H new ATOM 0 HB3 PHE B 16 2.532 -0.959 8.082 1.00 0.00 H new ATOM 0 HD1 PHE B 16 5.527 1.161 8.766 1.00 0.00 H new ATOM 0 HD2 PHE B 16 2.106 0.504 6.318 1.00 0.00 H new ATOM 0 HE1 PHE B 16 5.984 3.257 7.572 1.00 0.00 H new ATOM 0 HE2 PHE B 16 2.568 2.595 5.113 1.00 0.00 H new ATOM 0 HZ PHE B 16 4.504 3.975 5.741 1.00 0.00 H new ATOM 890 N GLY B 17 2.356 1.185 11.092 1.00 0.00 N ATOM 891 CA GLY B 17 1.170 1.769 11.688 1.00 0.00 C ATOM 892 C GLY B 17 0.963 3.196 11.231 1.00 0.00 C ATOM 893 O GLY B 17 1.558 4.123 11.786 1.00 0.00 O ATOM 0 H GLY B 17 3.207 1.732 11.219 1.00 0.00 H new ATOM 0 HA2 GLY B 17 0.297 1.171 11.424 1.00 0.00 H new ATOM 0 HA3 GLY B 17 1.257 1.743 12.774 1.00 0.00 H new ATOM 897 N ILE B 18 0.128 3.374 10.219 1.00 0.00 N ATOM 898 CA ILE B 18 -0.065 4.681 9.606 1.00 0.00 C ATOM 899 C ILE B 18 -1.529 5.099 9.608 1.00 0.00 C ATOM 900 O ILE B 18 -2.415 4.299 9.910 1.00 0.00 O ATOM 901 CB ILE B 18 0.451 4.687 8.160 1.00 0.00 C ATOM 902 CG1 ILE B 18 -0.221 3.577 7.345 1.00 0.00 C ATOM 903 CG2 ILE B 18 1.959 4.514 8.162 1.00 0.00 C ATOM 904 CD1 ILE B 18 0.026 3.678 5.860 1.00 0.00 C ATOM 0 H ILE B 18 -0.429 2.628 9.803 1.00 0.00 H new ATOM 0 HA ILE B 18 0.503 5.394 10.204 1.00 0.00 H new ATOM 0 HB ILE B 18 0.203 5.641 7.694 1.00 0.00 H new ATOM 0 HG12 ILE B 18 0.138 2.611 7.699 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -1.295 3.604 7.528 1.00 0.00 H new ATOM 0 HG21 ILE B 18 2.327 4.518 7.136 1.00 0.00 H new ATOM 0 HG22 ILE B 18 2.418 5.333 8.716 1.00 0.00 H new ATOM 0 HG23 ILE B 18 2.216 3.567 8.636 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -0.481 2.859 5.350 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -0.359 4.629 5.491 1.00 0.00 H new ATOM 0 HD13 ILE B 18 1.097 3.620 5.664 1.00 0.00 H new ATOM 916 N TYR B 19 -1.771 6.363 9.273 1.00 0.00 N ATOM 917 CA TYR B 19 -3.125 6.892 9.183 1.00 0.00 C ATOM 918 C TYR B 19 -3.498 7.139 7.727 1.00 0.00 C ATOM 919 O TYR B 19 -3.174 8.181 7.156 1.00 0.00 O ATOM 920 CB TYR B 19 -3.257 8.187 9.985 1.00 0.00 C ATOM 921 CG TYR B 19 -2.945 8.024 11.453 1.00 0.00 C ATOM 922 CD1 TYR B 19 -3.807 7.338 12.295 1.00 0.00 C ATOM 923 CD2 TYR B 19 -1.784 8.560 11.995 1.00 0.00 C ATOM 924 CE1 TYR B 19 -3.521 7.191 13.639 1.00 0.00 C ATOM 925 CE2 TYR B 19 -1.492 8.416 13.337 1.00 0.00 C ATOM 926 CZ TYR B 19 -2.364 7.731 14.155 1.00 0.00 C ATOM 927 OH TYR B 19 -2.077 7.584 15.494 1.00 0.00 O ATOM 0 H TYR B 19 -1.041 7.042 9.059 1.00 0.00 H new ATOM 0 HA TYR B 19 -3.808 6.155 9.605 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -2.589 8.937 9.561 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.272 8.569 9.878 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.715 6.912 11.895 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.099 9.098 11.357 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -4.203 6.654 14.282 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.585 8.838 13.743 1.00 0.00 H new ATOM 0 HH TYR B 19 -1.224 8.022 15.696 1.00 0.00 H new ATOM 937 N MET B 20 -4.182 6.174 7.140 1.00 0.00 N ATOM 938 CA MET B 20 -4.560 6.240 5.733 1.00 0.00 C ATOM 939 C MET B 20 -6.067 6.423 5.611 1.00 0.00 C ATOM 940 O MET B 20 -6.808 6.075 6.529 1.00 0.00 O ATOM 941 CB MET B 20 -4.101 4.971 4.998 1.00 0.00 C ATOM 942 CG MET B 20 -4.737 3.688 5.507 1.00 0.00 C ATOM 943 SD MET B 20 -3.946 2.209 4.841 1.00 0.00 S ATOM 944 CE MET B 20 -4.286 2.382 3.089 1.00 0.00 C ATOM 0 H MET B 20 -4.491 5.327 7.617 1.00 0.00 H new ATOM 0 HA MET B 20 -4.068 7.096 5.270 1.00 0.00 H new ATOM 0 HB2 MET B 20 -4.327 5.078 3.937 1.00 0.00 H new ATOM 0 HB3 MET B 20 -3.018 4.886 5.087 1.00 0.00 H new ATOM 0 HG2 MET B 20 -4.681 3.666 6.595 1.00 0.00 H new ATOM 0 HG3 MET B 20 -5.794 3.681 5.242 1.00 0.00 H new ATOM 0 HE1 MET B 20 -3.856 1.538 2.550 1.00 0.00 H new ATOM 0 HE2 MET B 20 -5.364 2.404 2.928 1.00 0.00 H new ATOM 0 HE3 MET B 20 -3.845 3.309 2.723 1.00 0.00 H new ATOM 954 N ASP B 21 -6.519 6.976 4.487 1.00 0.00 N ATOM 955 CA ASP B 21 -7.933 7.271 4.294 1.00 0.00 C ATOM 956 C ASP B 21 -8.791 6.018 4.396 1.00 0.00 C ATOM 957 O ASP B 21 -8.338 4.905 4.111 1.00 0.00 O ATOM 958 CB ASP B 21 -8.189 7.950 2.950 1.00 0.00 C ATOM 959 CG ASP B 21 -7.879 9.432 2.968 1.00 0.00 C ATOM 960 OD1 ASP B 21 -8.400 10.146 3.849 1.00 0.00 O ATOM 961 OD2 ASP B 21 -7.147 9.902 2.074 1.00 0.00 O ATOM 0 H ASP B 21 -5.925 7.228 3.697 1.00 0.00 H new ATOM 0 HA ASP B 21 -8.214 7.955 5.095 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -7.583 7.467 2.184 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -9.232 7.806 2.669 1.00 0.00 H new ATOM 966 N LYS B 22 -10.045 6.213 4.768 1.00 0.00 N ATOM 967 CA LYS B 22 -10.950 5.118 5.019 1.00 0.00 C ATOM 968 C LYS B 22 -11.448 4.532 3.718 1.00 0.00 C ATOM 969 O LYS B 22 -11.203 3.372 3.443 1.00 0.00 O ATOM 970 CB LYS B 22 -12.135 5.592 5.859 1.00 0.00 C ATOM 971 CG LYS B 22 -13.214 4.539 6.042 1.00 0.00 C ATOM 972 CD LYS B 22 -14.276 4.995 7.030 1.00 0.00 C ATOM 973 CE LYS B 22 -15.417 3.992 7.126 1.00 0.00 C ATOM 974 NZ LYS B 22 -16.229 3.956 5.878 1.00 0.00 N ATOM 0 H LYS B 22 -10.458 7.136 4.903 1.00 0.00 H new ATOM 0 HA LYS B 22 -10.409 4.347 5.568 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -11.773 5.903 6.839 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -12.574 6.471 5.388 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -13.679 4.322 5.080 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -12.763 3.611 6.394 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -13.825 5.130 8.013 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -14.668 5.965 6.723 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -15.013 3.000 7.325 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -16.058 4.250 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -17.097 3.407 6.044 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -16.481 4.926 5.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -15.677 3.509 5.118 1.00 0.00 H new ATOM 988 N ASP B 23 -12.122 5.352 2.923 1.00 0.00 N ATOM 989 CA ASP B 23 -12.719 4.903 1.661 1.00 0.00 C ATOM 990 C ASP B 23 -11.710 4.145 0.800 1.00 0.00 C ATOM 991 O ASP B 23 -12.057 3.183 0.122 1.00 0.00 O ATOM 992 CB ASP B 23 -13.275 6.102 0.885 1.00 0.00 C ATOM 993 CG ASP B 23 -13.750 5.738 -0.509 1.00 0.00 C ATOM 994 OD1 ASP B 23 -14.908 5.286 -0.655 1.00 0.00 O ATOM 995 OD2 ASP B 23 -12.963 5.897 -1.469 1.00 0.00 O ATOM 0 H ASP B 23 -12.273 6.340 3.127 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.533 4.219 1.903 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.104 6.536 1.443 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.504 6.869 0.811 1.00 0.00 H new ATOM 1000 N LEU B 24 -10.459 4.573 0.862 1.00 0.00 N ATOM 1001 CA LEU B 24 -9.381 3.973 0.102 1.00 0.00 C ATOM 1002 C LEU B 24 -8.949 2.640 0.726 1.00 0.00 C ATOM 1003 O LEU B 24 -8.964 1.605 0.057 1.00 0.00 O ATOM 1004 CB LEU B 24 -8.240 4.999 0.042 1.00 0.00 C ATOM 1005 CG LEU B 24 -6.878 4.548 -0.486 1.00 0.00 C ATOM 1006 CD1 LEU B 24 -6.027 4.092 0.678 1.00 0.00 C ATOM 1007 CD2 LEU B 24 -7.007 3.446 -1.533 1.00 0.00 C ATOM 0 H LEU B 24 -10.164 5.354 1.448 1.00 0.00 H new ATOM 0 HA LEU B 24 -9.700 3.731 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -8.576 5.832 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -8.092 5.389 1.049 1.00 0.00 H new ATOM 0 HG LEU B 24 -6.400 5.392 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -5.053 3.768 0.312 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -5.895 4.917 1.378 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -6.519 3.261 1.185 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -6.015 3.156 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.504 2.582 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -7.594 3.811 -2.375 1.00 0.00 H new ATOM 1019 N LYS B 25 -8.580 2.657 2.005 1.00 0.00 N ATOM 1020 CA LYS B 25 -8.176 1.439 2.694 1.00 0.00 C ATOM 1021 C LYS B 25 -9.330 0.441 2.685 1.00 0.00 C ATOM 1022 O LYS B 25 -9.137 -0.771 2.636 1.00 0.00 O ATOM 1023 CB LYS B 25 -7.797 1.763 4.136 1.00 0.00 C ATOM 1024 CG LYS B 25 -7.093 0.629 4.856 1.00 0.00 C ATOM 1025 CD LYS B 25 -6.931 0.923 6.339 1.00 0.00 C ATOM 1026 CE LYS B 25 -8.135 0.457 7.151 1.00 0.00 C ATOM 1027 NZ LYS B 25 -9.399 1.136 6.758 1.00 0.00 N ATOM 0 H LYS B 25 -8.553 3.498 2.581 1.00 0.00 H new ATOM 0 HA LYS B 25 -7.316 1.007 2.183 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -7.151 2.641 4.143 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -8.699 2.026 4.688 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -7.661 -0.293 4.727 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -6.113 0.465 4.408 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -6.032 0.431 6.710 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -6.790 1.994 6.483 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -8.254 -0.620 7.029 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -7.945 0.639 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -10.130 0.951 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -9.235 2.161 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -9.717 0.772 5.837 1.00 0.00 H new ATOM 1041 N THR B 26 -10.532 0.992 2.716 1.00 0.00 N ATOM 1042 CA THR B 26 -11.757 0.209 2.760 1.00 0.00 C ATOM 1043 C THR B 26 -12.098 -0.335 1.374 1.00 0.00 C ATOM 1044 O THR B 26 -12.637 -1.433 1.240 1.00 0.00 O ATOM 1045 CB THR B 26 -12.924 1.051 3.329 1.00 0.00 C ATOM 1046 OG1 THR B 26 -12.613 1.445 4.672 1.00 0.00 O ATOM 1047 CG2 THR B 26 -14.235 0.273 3.317 1.00 0.00 C ATOM 0 H THR B 26 -10.687 2.000 2.711 1.00 0.00 H new ATOM 0 HA THR B 26 -11.599 -0.639 3.426 1.00 0.00 H new ATOM 0 HB THR B 26 -13.049 1.930 2.696 1.00 0.00 H new ATOM 0 HG1 THR B 26 -12.029 2.231 4.655 1.00 0.00 H new ATOM 0 HG21 THR B 26 -15.032 0.896 3.724 1.00 0.00 H new ATOM 0 HG22 THR B 26 -14.481 -0.009 2.293 1.00 0.00 H new ATOM 0 HG23 THR B 26 -14.131 -0.625 3.925 1.00 0.00 H new ATOM 1055 N ARG B 27 -11.755 0.429 0.347 1.00 0.00 N ATOM 1056 CA ARG B 27 -11.863 -0.034 -1.031 1.00 0.00 C ATOM 1057 C ARG B 27 -11.044 -1.310 -1.205 1.00 0.00 C ATOM 1058 O ARG B 27 -11.530 -2.318 -1.719 1.00 0.00 O ATOM 1059 CB ARG B 27 -11.369 1.072 -1.980 1.00 0.00 C ATOM 1060 CG ARG B 27 -10.923 0.589 -3.345 1.00 0.00 C ATOM 1061 CD ARG B 27 -12.060 -0.055 -4.132 1.00 0.00 C ATOM 1062 NE ARG B 27 -13.216 0.834 -4.260 1.00 0.00 N ATOM 1063 CZ ARG B 27 -14.465 0.410 -4.468 1.00 0.00 C ATOM 1064 NH1 ARG B 27 -14.717 -0.879 -4.654 1.00 0.00 N ATOM 1065 NH2 ARG B 27 -15.458 1.287 -4.513 1.00 0.00 N ATOM 0 H ARG B 27 -11.397 1.379 0.442 1.00 0.00 H new ATOM 0 HA ARG B 27 -12.903 -0.257 -1.270 1.00 0.00 H new ATOM 0 HB2 ARG B 27 -12.168 1.801 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG B 27 -10.537 1.593 -1.506 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -10.522 1.429 -3.912 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -10.113 -0.131 -3.226 1.00 0.00 H new ATOM 0 HD2 ARG B 27 -11.703 -0.329 -5.125 1.00 0.00 H new ATOM 0 HD3 ARG B 27 -12.366 -0.977 -3.637 1.00 0.00 H new ATOM 0 HE ARG B 27 -13.058 1.839 -4.186 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -13.954 -1.555 -4.639 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -15.674 -1.194 -4.812 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -15.266 2.281 -4.389 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -16.414 0.968 -4.672 1.00 0.00 H new ATOM 1079 N LEU B 28 -9.805 -1.245 -0.758 1.00 0.00 N ATOM 1080 CA LEU B 28 -8.916 -2.398 -0.749 1.00 0.00 C ATOM 1081 C LEU B 28 -9.458 -3.500 0.170 1.00 0.00 C ATOM 1082 O LEU B 28 -9.291 -4.686 -0.112 1.00 0.00 O ATOM 1083 CB LEU B 28 -7.528 -1.936 -0.307 1.00 0.00 C ATOM 1084 CG LEU B 28 -6.378 -2.931 -0.453 1.00 0.00 C ATOM 1085 CD1 LEU B 28 -6.382 -3.906 0.697 1.00 0.00 C ATOM 1086 CD2 LEU B 28 -6.455 -3.657 -1.785 1.00 0.00 C ATOM 0 H LEU B 28 -9.383 -0.392 -0.390 1.00 0.00 H new ATOM 0 HA LEU B 28 -8.853 -2.824 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -7.274 -1.041 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -7.588 -1.642 0.741 1.00 0.00 H new ATOM 0 HG LEU B 28 -5.438 -2.379 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -5.558 -4.609 0.581 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -6.266 -3.363 1.635 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -7.326 -4.452 0.708 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -5.626 -4.360 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -7.398 -4.200 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.397 -2.933 -2.598 1.00 0.00 H new ATOM 1098 N LYS B 29 -10.103 -3.109 1.265 1.00 0.00 N ATOM 1099 CA LYS B 29 -10.743 -4.068 2.163 1.00 0.00 C ATOM 1100 C LYS B 29 -11.765 -4.899 1.394 1.00 0.00 C ATOM 1101 O LYS B 29 -11.867 -6.109 1.579 1.00 0.00 O ATOM 1102 CB LYS B 29 -11.394 -3.336 3.350 1.00 0.00 C ATOM 1103 CG LYS B 29 -12.119 -4.235 4.346 1.00 0.00 C ATOM 1104 CD LYS B 29 -13.549 -4.526 3.914 1.00 0.00 C ATOM 1105 CE LYS B 29 -14.195 -5.582 4.796 1.00 0.00 C ATOM 1106 NZ LYS B 29 -14.208 -5.189 6.231 1.00 0.00 N ATOM 0 H LYS B 29 -10.197 -2.135 1.553 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.988 -4.745 2.563 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.622 -2.780 3.882 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.103 -2.605 2.961 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.574 -5.173 4.451 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.126 -3.759 5.326 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.136 -3.608 3.954 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.555 -4.863 2.877 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.217 -5.757 4.460 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.657 -6.524 4.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.732 -5.899 6.781 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.231 -5.130 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -14.669 -4.263 6.333 1.00 0.00 H new ATOM 1120 N VAL B 30 -12.502 -4.240 0.519 1.00 0.00 N ATOM 1121 CA VAL B 30 -13.488 -4.909 -0.316 1.00 0.00 C ATOM 1122 C VAL B 30 -12.810 -5.832 -1.311 1.00 0.00 C ATOM 1123 O VAL B 30 -13.319 -6.902 -1.645 1.00 0.00 O ATOM 1124 CB VAL B 30 -14.354 -3.880 -1.049 1.00 0.00 C ATOM 1125 CG1 VAL B 30 -15.379 -4.552 -1.952 1.00 0.00 C ATOM 1126 CG2 VAL B 30 -15.022 -2.976 -0.032 1.00 0.00 C ATOM 0 H VAL B 30 -12.437 -3.234 0.366 1.00 0.00 H new ATOM 0 HA VAL B 30 -14.130 -5.510 0.328 1.00 0.00 H new ATOM 0 HB VAL B 30 -13.716 -3.279 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -15.975 -3.791 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -14.865 -5.161 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -16.032 -5.186 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -15.640 -2.241 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -15.647 -3.574 0.631 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -14.260 -2.462 0.554 1.00 0.00 H new ATOM 1136 N TYR B 31 -11.643 -5.420 -1.755 1.00 0.00 N ATOM 1137 CA TYR B 31 -10.830 -6.230 -2.630 1.00 0.00 C ATOM 1138 C TYR B 31 -10.380 -7.491 -1.900 1.00 0.00 C ATOM 1139 O TYR B 31 -10.355 -8.588 -2.471 1.00 0.00 O ATOM 1140 CB TYR B 31 -9.625 -5.422 -3.099 1.00 0.00 C ATOM 1141 CG TYR B 31 -8.711 -6.199 -4.000 1.00 0.00 C ATOM 1142 CD1 TYR B 31 -9.134 -6.593 -5.252 1.00 0.00 C ATOM 1143 CD2 TYR B 31 -7.436 -6.554 -3.590 1.00 0.00 C ATOM 1144 CE1 TYR B 31 -8.317 -7.320 -6.080 1.00 0.00 C ATOM 1145 CE2 TYR B 31 -6.608 -7.287 -4.410 1.00 0.00 C ATOM 1146 CZ TYR B 31 -7.050 -7.669 -5.660 1.00 0.00 C ATOM 1147 OH TYR B 31 -6.230 -8.411 -6.485 1.00 0.00 O ATOM 0 H TYR B 31 -11.233 -4.516 -1.519 1.00 0.00 H new ATOM 0 HA TYR B 31 -11.415 -6.526 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR B 31 -9.973 -4.533 -3.624 1.00 0.00 H new ATOM 0 HB3 TYR B 31 -9.064 -5.080 -2.230 1.00 0.00 H new ATOM 0 HD1 TYR B 31 -10.125 -6.325 -5.586 1.00 0.00 H new ATOM 0 HD2 TYR B 31 -7.087 -6.252 -2.614 1.00 0.00 H new ATOM 0 HE1 TYR B 31 -8.665 -7.618 -7.058 1.00 0.00 H new ATOM 0 HE2 TYR B 31 -5.618 -7.561 -4.077 1.00 0.00 H new ATOM 0 HH TYR B 31 -5.373 -8.569 -6.038 1.00 0.00 H new ATOM 1157 N CYS B 32 -10.056 -7.330 -0.622 1.00 0.00 N ATOM 1158 CA CYS B 32 -9.640 -8.449 0.212 1.00 0.00 C ATOM 1159 C CYS B 32 -10.838 -9.305 0.600 1.00 0.00 C ATOM 1160 O CYS B 32 -10.696 -10.469 0.943 1.00 0.00 O ATOM 1161 CB CYS B 32 -8.929 -7.945 1.464 1.00 0.00 C ATOM 1162 SG CYS B 32 -7.475 -6.936 1.118 1.00 0.00 S ATOM 0 H CYS B 32 -10.074 -6.431 -0.140 1.00 0.00 H new ATOM 0 HA CYS B 32 -8.947 -9.063 -0.363 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -9.631 -7.362 2.060 1.00 0.00 H new ATOM 0 HB3 CYS B 32 -8.630 -8.800 2.070 1.00 0.00 H new ATOM 0 HG CYS B 32 -6.401 -7.606 1.416 1.00 0.00 H new ATOM 1168 N ALA B 33 -12.018 -8.719 0.543 1.00 0.00 N ATOM 1169 CA ALA B 33 -13.242 -9.450 0.818 1.00 0.00 C ATOM 1170 C ALA B 33 -13.658 -10.250 -0.409 1.00 0.00 C ATOM 1171 O ALA B 33 -14.164 -11.365 -0.300 1.00 0.00 O ATOM 1172 CB ALA B 33 -14.344 -8.487 1.232 1.00 0.00 C ATOM 0 H ALA B 33 -12.156 -7.736 0.308 1.00 0.00 H new ATOM 0 HA ALA B 33 -13.066 -10.145 1.639 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -15.258 -9.045 1.436 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -14.039 -7.950 2.130 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -14.526 -7.775 0.427 1.00 0.00 H new ATOM 1178 N LYS B 34 -13.422 -9.671 -1.578 1.00 0.00 N ATOM 1179 CA LYS B 34 -13.778 -10.286 -2.845 1.00 0.00 C ATOM 1180 C LYS B 34 -12.895 -11.484 -3.147 1.00 0.00 C ATOM 1181 O LYS B 34 -13.378 -12.553 -3.519 1.00 0.00 O ATOM 1182 CB LYS B 34 -13.663 -9.245 -3.969 1.00 0.00 C ATOM 1183 CG LYS B 34 -14.033 -9.772 -5.344 1.00 0.00 C ATOM 1184 CD LYS B 34 -13.728 -8.767 -6.457 1.00 0.00 C ATOM 1185 CE LYS B 34 -14.716 -7.600 -6.490 1.00 0.00 C ATOM 1186 NZ LYS B 34 -14.441 -6.572 -5.447 1.00 0.00 N ATOM 0 H LYS B 34 -12.977 -8.758 -1.673 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.806 -10.642 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -14.306 -8.398 -3.732 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -12.640 -8.870 -3.999 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.488 -10.697 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.095 -10.018 -5.362 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -12.718 -8.379 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -13.747 -9.280 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.681 -7.130 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.727 -7.984 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -15.188 -6.602 -4.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -13.521 -6.766 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -14.421 -5.629 -5.886 1.00 0.00 H new ATOM 1200 N ASN B 35 -11.600 -11.303 -2.972 1.00 0.00 N ATOM 1201 CA ASN B 35 -10.645 -12.359 -3.264 1.00 0.00 C ATOM 1202 C ASN B 35 -10.333 -13.146 -2.010 1.00 0.00 C ATOM 1203 O ASN B 35 -9.520 -14.072 -2.033 1.00 0.00 O ATOM 1204 CB ASN B 35 -9.351 -11.770 -3.824 1.00 0.00 C ATOM 1205 CG ASN B 35 -9.542 -11.117 -5.177 1.00 0.00 C ATOM 1206 OD1 ASN B 35 -9.385 -11.758 -6.215 1.00 0.00 O ATOM 1207 ND2 ASN B 35 -9.878 -9.837 -5.178 1.00 0.00 N ATOM 0 H ASN B 35 -11.184 -10.437 -2.630 1.00 0.00 H new ATOM 0 HA ASN B 35 -11.089 -13.022 -4.007 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -8.958 -11.034 -3.122 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -8.604 -12.560 -3.909 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -10.016 -9.347 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -9.999 -9.341 -4.295 1.00 0.00 H new ATOM 1214 N ASN B 36 -10.988 -12.758 -0.917 1.00 0.00 N ATOM 1215 CA ASN B 36 -10.727 -13.346 0.401 1.00 0.00 C ATOM 1216 C ASN B 36 -9.257 -13.179 0.794 1.00 0.00 C ATOM 1217 O ASN B 36 -8.735 -13.913 1.636 1.00 0.00 O ATOM 1218 CB ASN B 36 -11.115 -14.827 0.438 1.00 0.00 C ATOM 1219 CG ASN B 36 -12.617 -15.051 0.519 1.00 0.00 C ATOM 1220 OD1 ASN B 36 -13.226 -14.843 1.569 1.00 0.00 O ATOM 1221 ND2 ASN B 36 -13.219 -15.534 -0.560 1.00 0.00 N ATOM 0 H ASN B 36 -11.708 -12.035 -0.916 1.00 0.00 H new ATOM 0 HA ASN B 36 -11.345 -12.812 1.123 1.00 0.00 H new ATOM 0 HB2 ASN B 36 -10.728 -15.320 -0.454 1.00 0.00 H new ATOM 0 HB3 ASN B 36 -10.637 -15.300 1.296 1.00 0.00 H new ATOM 0 HD21 ASN B 36 -14.217 -15.745 -0.536 1.00 0.00 H new ATOM 0 HD22 ASN B 36 -12.684 -15.694 -1.414 1.00 0.00 H new ATOM 1228 N LEU B 37 -8.602 -12.195 0.177 1.00 0.00 N ATOM 1229 CA LEU B 37 -7.195 -11.906 0.427 1.00 0.00 C ATOM 1230 C LEU B 37 -6.986 -11.319 1.811 1.00 0.00 C ATOM 1231 O LEU B 37 -7.931 -10.894 2.475 1.00 0.00 O ATOM 1232 CB LEU B 37 -6.664 -10.916 -0.613 1.00 0.00 C ATOM 1233 CG LEU B 37 -5.620 -11.473 -1.582 1.00 0.00 C ATOM 1234 CD1 LEU B 37 -6.175 -12.658 -2.355 1.00 0.00 C ATOM 1235 CD2 LEU B 37 -5.150 -10.382 -2.534 1.00 0.00 C ATOM 0 H LEU B 37 -9.035 -11.577 -0.510 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.653 -12.849 0.358 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -7.506 -10.538 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.230 -10.064 -0.089 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.765 -11.821 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.414 -13.036 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -6.461 -13.446 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -7.049 -12.343 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.407 -10.792 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -6.000 -10.005 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -4.706 -9.567 -1.962 1.00 0.00 H new ATOM 1247 N GLN B 38 -5.736 -11.298 2.235 1.00 0.00 N ATOM 1248 CA GLN B 38 -5.372 -10.679 3.490 1.00 0.00 C ATOM 1249 C GLN B 38 -5.101 -9.205 3.268 1.00 0.00 C ATOM 1250 O GLN B 38 -4.398 -8.852 2.321 1.00 0.00 O ATOM 1251 CB GLN B 38 -4.133 -11.342 4.087 1.00 0.00 C ATOM 1252 CG GLN B 38 -4.320 -12.812 4.399 1.00 0.00 C ATOM 1253 CD GLN B 38 -3.034 -13.473 4.871 1.00 0.00 C ATOM 1254 OE1 GLN B 38 -2.260 -13.988 4.067 1.00 0.00 O ATOM 1255 NE2 GLN B 38 -2.795 -13.464 6.175 1.00 0.00 N ATOM 0 H GLN B 38 -4.954 -11.706 1.723 1.00 0.00 H new ATOM 0 HA GLN B 38 -6.200 -10.803 4.189 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.301 -11.230 3.392 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.856 -10.818 5.002 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -5.085 -12.923 5.167 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -4.684 -13.326 3.509 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -3.461 -13.027 6.812 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.946 -13.894 6.541 1.00 0.00 H new ATOM 1264 N LEU B 39 -5.668 -8.362 4.117 1.00 0.00 N ATOM 1265 CA LEU B 39 -5.483 -6.914 4.019 1.00 0.00 C ATOM 1266 C LEU B 39 -4.015 -6.563 3.793 1.00 0.00 C ATOM 1267 O LEU B 39 -3.673 -5.831 2.862 1.00 0.00 O ATOM 1268 CB LEU B 39 -5.990 -6.228 5.293 1.00 0.00 C ATOM 1269 CG LEU B 39 -7.029 -5.120 5.082 1.00 0.00 C ATOM 1270 CD1 LEU B 39 -6.558 -4.127 4.035 1.00 0.00 C ATOM 1271 CD2 LEU B 39 -8.375 -5.710 4.690 1.00 0.00 C ATOM 0 H LEU B 39 -6.266 -8.655 4.890 1.00 0.00 H new ATOM 0 HA LEU B 39 -6.058 -6.558 3.164 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -6.422 -6.987 5.945 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -5.135 -5.804 5.820 1.00 0.00 H new ATOM 0 HG LEU B 39 -7.149 -4.588 6.026 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -7.312 -3.351 3.904 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -5.622 -3.672 4.360 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -6.400 -4.644 3.088 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -9.097 -4.906 4.546 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -8.269 -6.273 3.763 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -8.725 -6.374 5.480 1.00 0.00 H new ATOM 1283 N THR B 40 -3.151 -7.126 4.625 1.00 0.00 N ATOM 1284 CA THR B 40 -1.726 -6.872 4.551 1.00 0.00 C ATOM 1285 C THR B 40 -1.147 -7.304 3.209 1.00 0.00 C ATOM 1286 O THR B 40 -0.439 -6.536 2.558 1.00 0.00 O ATOM 1287 CB THR B 40 -0.992 -7.610 5.679 1.00 0.00 C ATOM 1288 OG1 THR B 40 -1.701 -7.433 6.913 1.00 0.00 O ATOM 1289 CG2 THR B 40 0.435 -7.104 5.824 1.00 0.00 C ATOM 0 H THR B 40 -3.421 -7.770 5.368 1.00 0.00 H new ATOM 0 HA THR B 40 -1.583 -5.797 4.659 1.00 0.00 H new ATOM 0 HB THR B 40 -0.953 -8.670 5.429 1.00 0.00 H new ATOM 0 HG1 THR B 40 -1.231 -7.907 7.631 1.00 0.00 H new ATOM 0 HG21 THR B 40 0.932 -7.644 6.630 1.00 0.00 H new ATOM 0 HG22 THR B 40 0.975 -7.266 4.891 1.00 0.00 H new ATOM 0 HG23 THR B 40 0.422 -6.039 6.055 1.00 0.00 H new ATOM 1297 N GLN B 41 -1.471 -8.528 2.797 1.00 0.00 N ATOM 1298 CA GLN B 41 -0.983 -9.072 1.539 1.00 0.00 C ATOM 1299 C GLN B 41 -1.354 -8.150 0.380 1.00 0.00 C ATOM 1300 O GLN B 41 -0.569 -7.947 -0.544 1.00 0.00 O ATOM 1301 CB GLN B 41 -1.578 -10.460 1.318 1.00 0.00 C ATOM 1302 CG GLN B 41 -0.955 -11.217 0.156 1.00 0.00 C ATOM 1303 CD GLN B 41 -1.589 -12.576 -0.055 1.00 0.00 C ATOM 1304 OE1 GLN B 41 -2.620 -12.626 -0.886 1.00 0.00 O flip ATOM 1305 NE2 GLN B 41 -1.153 -13.571 0.520 1.00 0.00 N flip ATOM 0 H GLN B 41 -2.073 -9.162 3.322 1.00 0.00 H new ATOM 0 HA GLN B 41 0.103 -9.149 1.583 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -1.456 -11.047 2.229 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -2.649 -10.362 1.143 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -1.056 -10.627 -0.755 1.00 0.00 H new ATOM 0 HG3 GLN B 41 0.112 -11.342 0.338 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -0.357 -13.487 1.152 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -1.587 -14.481 0.365 1.00 0.00 H new ATOM 1314 N ALA B 42 -2.546 -7.578 0.456 1.00 0.00 N ATOM 1315 CA ALA B 42 -3.027 -6.659 -0.565 1.00 0.00 C ATOM 1316 C ALA B 42 -2.233 -5.364 -0.551 1.00 0.00 C ATOM 1317 O ALA B 42 -1.836 -4.873 -1.601 1.00 0.00 O ATOM 1318 CB ALA B 42 -4.493 -6.374 -0.353 1.00 0.00 C ATOM 0 H ALA B 42 -3.203 -7.736 1.220 1.00 0.00 H new ATOM 0 HA ALA B 42 -2.891 -7.128 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -4.845 -5.685 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.057 -7.305 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -4.638 -5.926 0.630 1.00 0.00 H new ATOM 1324 N ILE B 43 -2.008 -4.809 0.641 1.00 0.00 N ATOM 1325 CA ILE B 43 -1.186 -3.608 0.779 1.00 0.00 C ATOM 1326 C ILE B 43 0.201 -3.840 0.195 1.00 0.00 C ATOM 1327 O ILE B 43 0.710 -3.018 -0.559 1.00 0.00 O ATOM 1328 CB ILE B 43 -1.046 -3.161 2.260 1.00 0.00 C ATOM 1329 CG1 ILE B 43 -2.129 -2.146 2.631 1.00 0.00 C ATOM 1330 CG2 ILE B 43 0.338 -2.585 2.525 1.00 0.00 C ATOM 1331 CD1 ILE B 43 -3.529 -2.710 2.610 1.00 0.00 C ATOM 0 H ILE B 43 -2.381 -5.170 1.519 1.00 0.00 H new ATOM 0 HA ILE B 43 -1.693 -2.815 0.229 1.00 0.00 H new ATOM 0 HB ILE B 43 -1.176 -4.043 2.888 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -1.920 -1.755 3.627 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -2.076 -1.304 1.940 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.411 -2.279 3.569 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.094 -3.342 2.315 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.502 -1.721 1.881 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -4.240 -1.930 2.884 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.759 -3.075 1.609 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -3.601 -3.532 3.322 1.00 0.00 H new ATOM 1343 N GLU B 44 0.797 -4.963 0.553 1.00 0.00 N ATOM 1344 CA GLU B 44 2.143 -5.297 0.108 1.00 0.00 C ATOM 1345 C GLU B 44 2.203 -5.427 -1.408 1.00 0.00 C ATOM 1346 O GLU B 44 3.114 -4.907 -2.040 1.00 0.00 O ATOM 1347 CB GLU B 44 2.612 -6.591 0.764 1.00 0.00 C ATOM 1348 CG GLU B 44 2.688 -6.515 2.278 1.00 0.00 C ATOM 1349 CD GLU B 44 3.169 -7.806 2.901 1.00 0.00 C ATOM 1350 OE1 GLU B 44 4.398 -7.972 3.041 1.00 0.00 O ATOM 1351 OE2 GLU B 44 2.327 -8.664 3.241 1.00 0.00 O ATOM 0 H GLU B 44 0.368 -5.666 1.155 1.00 0.00 H new ATOM 0 HA GLU B 44 2.807 -4.486 0.407 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.934 -7.397 0.483 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.595 -6.851 0.372 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.359 -5.705 2.564 1.00 0.00 H new ATOM 0 HG3 GLU B 44 1.704 -6.269 2.676 1.00 0.00 H new ATOM 1358 N GLU B 45 1.229 -6.114 -1.984 1.00 0.00 N ATOM 1359 CA GLU B 45 1.126 -6.213 -3.433 1.00 0.00 C ATOM 1360 C GLU B 45 0.843 -4.840 -4.031 1.00 0.00 C ATOM 1361 O GLU B 45 1.319 -4.515 -5.120 1.00 0.00 O ATOM 1362 CB GLU B 45 0.027 -7.203 -3.826 1.00 0.00 C ATOM 1363 CG GLU B 45 0.334 -8.639 -3.437 1.00 0.00 C ATOM 1364 CD GLU B 45 1.511 -9.211 -4.200 1.00 0.00 C ATOM 1365 OE1 GLU B 45 2.666 -8.884 -3.861 1.00 0.00 O ATOM 1366 OE2 GLU B 45 1.283 -9.994 -5.146 1.00 0.00 O ATOM 0 H GLU B 45 0.500 -6.611 -1.472 1.00 0.00 H new ATOM 0 HA GLU B 45 2.074 -6.579 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -0.908 -6.900 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -0.127 -7.152 -4.904 1.00 0.00 H new ATOM 0 HG2 GLU B 45 0.542 -8.685 -2.368 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -0.546 -9.256 -3.618 1.00 0.00 H new ATOM 1373 N ALA B 46 0.087 -4.031 -3.297 1.00 0.00 N ATOM 1374 CA ALA B 46 -0.234 -2.683 -3.731 1.00 0.00 C ATOM 1375 C ALA B 46 1.021 -1.839 -3.818 1.00 0.00 C ATOM 1376 O ALA B 46 1.344 -1.285 -4.863 1.00 0.00 O ATOM 1377 CB ALA B 46 -1.232 -2.037 -2.777 1.00 0.00 C ATOM 0 H ALA B 46 -0.315 -4.290 -2.396 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.685 -2.743 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.461 -1.027 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.148 -2.628 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.803 -1.993 -1.776 1.00 0.00 H new ATOM 1383 N ILE B 47 1.733 -1.766 -2.707 1.00 0.00 N ATOM 1384 CA ILE B 47 2.927 -0.972 -2.603 1.00 0.00 C ATOM 1385 C ILE B 47 4.040 -1.523 -3.502 1.00 0.00 C ATOM 1386 O ILE B 47 4.863 -0.772 -4.026 1.00 0.00 O ATOM 1387 CB ILE B 47 3.368 -0.893 -1.126 1.00 0.00 C ATOM 1388 CG1 ILE B 47 4.559 0.033 -0.959 1.00 0.00 C ATOM 1389 CG2 ILE B 47 3.683 -2.270 -0.568 1.00 0.00 C ATOM 1390 CD1 ILE B 47 4.891 0.308 0.488 1.00 0.00 C ATOM 0 H ILE B 47 1.490 -2.263 -1.850 1.00 0.00 H new ATOM 0 HA ILE B 47 2.714 0.038 -2.953 1.00 0.00 H new ATOM 0 HB ILE B 47 2.533 -0.482 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE B 47 5.427 -0.408 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE B 47 4.353 0.976 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE B 47 3.990 -2.179 0.474 1.00 0.00 H new ATOM 0 HG22 ILE B 47 2.796 -2.900 -0.631 1.00 0.00 H new ATOM 0 HG23 ILE B 47 4.490 -2.721 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE B 47 5.751 0.976 0.543 1.00 0.00 H new ATOM 0 HD12 ILE B 47 4.036 0.777 0.975 1.00 0.00 H new ATOM 0 HD13 ILE B 47 5.127 -0.629 0.992 1.00 0.00 H new ATOM 1402 N LYS B 48 4.030 -2.831 -3.711 1.00 0.00 N ATOM 1403 CA LYS B 48 5.008 -3.483 -4.570 1.00 0.00 C ATOM 1404 C LYS B 48 4.809 -3.081 -6.028 1.00 0.00 C ATOM 1405 O LYS B 48 5.731 -2.574 -6.672 1.00 0.00 O ATOM 1406 CB LYS B 48 4.892 -5.003 -4.410 1.00 0.00 C ATOM 1407 CG LYS B 48 5.689 -5.834 -5.416 1.00 0.00 C ATOM 1408 CD LYS B 48 7.173 -5.484 -5.465 1.00 0.00 C ATOM 1409 CE LYS B 48 7.868 -5.652 -4.126 1.00 0.00 C ATOM 1410 NZ LYS B 48 9.337 -5.795 -4.293 1.00 0.00 N ATOM 0 H LYS B 48 3.350 -3.466 -3.294 1.00 0.00 H new ATOM 0 HA LYS B 48 6.007 -3.164 -4.273 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.218 -5.271 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.841 -5.280 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.582 -6.890 -5.167 1.00 0.00 H new ATOM 0 HG3 LYS B 48 5.260 -5.696 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS B 48 7.665 -6.115 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS B 48 7.286 -4.453 -5.800 1.00 0.00 H new ATOM 0 HE2 LYS B 48 7.654 -4.791 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS B 48 7.471 -6.530 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.783 -5.908 -3.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 9.540 -6.631 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.718 -4.946 -4.758 1.00 0.00 H new ATOM 1424 N GLU B 49 3.602 -3.287 -6.541 1.00 0.00 N ATOM 1425 CA GLU B 49 3.304 -2.937 -7.926 1.00 0.00 C ATOM 1426 C GLU B 49 3.274 -1.427 -8.107 1.00 0.00 C ATOM 1427 O GLU B 49 3.286 -0.927 -9.230 1.00 0.00 O ATOM 1428 CB GLU B 49 1.968 -3.560 -8.385 1.00 0.00 C ATOM 1429 CG GLU B 49 2.077 -4.988 -8.932 1.00 0.00 C ATOM 1430 CD GLU B 49 0.759 -5.731 -8.930 1.00 0.00 C ATOM 1431 OE1 GLU B 49 -0.216 -5.229 -9.533 1.00 0.00 O ATOM 1432 OE2 GLU B 49 0.703 -6.839 -8.356 1.00 0.00 O ATOM 0 H GLU B 49 2.820 -3.691 -6.025 1.00 0.00 H new ATOM 0 HA GLU B 49 4.100 -3.345 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU B 49 1.276 -3.561 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU B 49 1.532 -2.923 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU B 49 2.464 -4.951 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU B 49 2.801 -5.544 -8.336 1.00 0.00 H new ATOM 1439 N TYR B 50 3.271 -0.708 -7.000 1.00 0.00 N ATOM 1440 CA TYR B 50 3.284 0.731 -7.032 1.00 0.00 C ATOM 1441 C TYR B 50 4.677 1.234 -7.355 1.00 0.00 C ATOM 1442 O TYR B 50 4.852 2.111 -8.197 1.00 0.00 O ATOM 1443 CB TYR B 50 2.809 1.273 -5.697 1.00 0.00 C ATOM 1444 CG TYR B 50 2.985 2.756 -5.529 1.00 0.00 C ATOM 1445 CD1 TYR B 50 2.208 3.651 -6.244 1.00 0.00 C ATOM 1446 CD2 TYR B 50 3.911 3.252 -4.626 1.00 0.00 C ATOM 1447 CE1 TYR B 50 2.348 5.010 -6.066 1.00 0.00 C ATOM 1448 CE2 TYR B 50 4.062 4.614 -4.440 1.00 0.00 C ATOM 1449 CZ TYR B 50 3.275 5.488 -5.163 1.00 0.00 C ATOM 1450 OH TYR B 50 3.413 6.844 -4.980 1.00 0.00 O ATOM 0 H TYR B 50 3.260 -1.108 -6.062 1.00 0.00 H new ATOM 0 HA TYR B 50 2.609 1.083 -7.812 1.00 0.00 H new ATOM 0 HB2 TYR B 50 1.754 1.029 -5.575 1.00 0.00 H new ATOM 0 HB3 TYR B 50 3.349 0.763 -4.899 1.00 0.00 H new ATOM 0 HD1 TYR B 50 1.482 3.279 -6.951 1.00 0.00 H new ATOM 0 HD2 TYR B 50 4.523 2.566 -4.060 1.00 0.00 H new ATOM 0 HE1 TYR B 50 1.735 5.697 -6.630 1.00 0.00 H new ATOM 0 HE2 TYR B 50 4.789 4.991 -3.736 1.00 0.00 H new ATOM 0 HH TYR B 50 3.699 7.022 -4.060 1.00 0.00 H new ATOM 1460 N LEU B 51 5.668 0.660 -6.687 1.00 0.00 N ATOM 1461 CA LEU B 51 7.056 1.002 -6.946 1.00 0.00 C ATOM 1462 C LEU B 51 7.448 0.690 -8.381 1.00 0.00 C ATOM 1463 O LEU B 51 8.195 1.441 -8.994 1.00 0.00 O ATOM 1464 CB LEU B 51 8.004 0.281 -5.990 1.00 0.00 C ATOM 1465 CG LEU B 51 8.336 1.026 -4.692 1.00 0.00 C ATOM 1466 CD1 LEU B 51 7.975 2.503 -4.796 1.00 0.00 C ATOM 1467 CD2 LEU B 51 7.650 0.371 -3.503 1.00 0.00 C ATOM 0 H LEU B 51 5.535 -0.045 -5.962 1.00 0.00 H new ATOM 0 HA LEU B 51 7.146 2.076 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.565 -0.683 -5.732 1.00 0.00 H new ATOM 0 HB3 LEU B 51 8.936 0.076 -6.518 1.00 0.00 H new ATOM 0 HG LEU B 51 9.413 0.963 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.222 3.005 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.537 2.958 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU B 51 6.907 2.604 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU B 51 7.900 0.916 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.570 0.388 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.988 -0.661 -3.412 1.00 0.00 H new ATOM 1479 N GLN B 52 6.942 -0.407 -8.923 1.00 0.00 N ATOM 1480 CA GLN B 52 7.278 -0.770 -10.301 1.00 0.00 C ATOM 1481 C GLN B 52 6.494 0.062 -11.301 1.00 0.00 C ATOM 1482 O GLN B 52 6.942 0.287 -12.424 1.00 0.00 O ATOM 1483 CB GLN B 52 7.050 -2.255 -10.576 1.00 0.00 C ATOM 1484 CG GLN B 52 8.249 -3.125 -10.242 1.00 0.00 C ATOM 1485 CD GLN B 52 8.444 -3.316 -8.757 1.00 0.00 C ATOM 1486 OE1 GLN B 52 7.890 -4.393 -8.237 1.00 0.00 O flip ATOM 1487 NE2 GLN B 52 9.100 -2.514 -8.087 1.00 0.00 N flip ATOM 0 H GLN B 52 6.311 -1.052 -8.447 1.00 0.00 H new ATOM 0 HA GLN B 52 8.341 -0.560 -10.423 1.00 0.00 H new ATOM 0 HB2 GLN B 52 6.192 -2.596 -9.997 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.798 -2.387 -11.628 1.00 0.00 H new ATOM 0 HG2 GLN B 52 8.127 -4.099 -10.715 1.00 0.00 H new ATOM 0 HG3 GLN B 52 9.147 -2.675 -10.666 1.00 0.00 H new ATOM 0 HE21 GLN B 52 9.511 -1.693 -8.532 1.00 0.00 H new ATOM 0 HE22 GLN B 52 9.232 -2.672 -7.088 1.00 0.00 H new