USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 756 hydrogens (18 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 27 GLN : amide:sc= -3.89! C(o=-7.4!,f=-11!) USER MOD Set 1.2: A 32 TYR OH : rot 92:sc= -3.48! USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.0179 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -9:sc= -0.933! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 11:sc= 0.815 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 92:sc= 0.0232 USER MOD Single : A 36 GLN : amide:sc= -9.71! C(o=-9.7!,f=-9.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.46 X(o=-2.5,f=-2.1) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -87:sc= -5.88! USER MOD Single : A 60 ASN : amide:sc= -0.0639 K(o=-0.064,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 65 THR OG1 : rot -120:sc= -0.835 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.781 USER MOD Single : A 72 SER OG : rot -86:sc= 0.765 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 40:sc= -0.82! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.4!) USER MOD Single : A 98 SER OG : rot 160:sc= -0.0833 USER MOD Single : A 103 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 111 SER OG : rot -100:sc= 0.253! USER MOD Single : A 113 ASN : amide:sc= -0.93 K(o=-0.93,f=-4!) USER MOD Single : A 130 NCZ O2 : rot 173:sc= 1.01 USER MOD Single : A 130 NCZ O5 : rot -91:sc= 0.508 USER MOD Single : A 130 NCZ O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.307 -6.233 14.227 1.00 0.00 N ATOM 2 CA ALA A 1 -10.400 -5.391 13.466 1.00 0.00 C ATOM 3 C ALA A 1 -10.871 -5.321 12.013 1.00 0.00 C ATOM 4 O ALA A 1 -11.246 -6.337 11.429 1.00 0.00 O ATOM 5 CB ALA A 1 -8.975 -5.933 13.591 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.762 -6.822 14.889 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.970 -5.635 14.761 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.840 -6.846 13.577 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.399 -4.375 13.860 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.294 -5.302 13.020 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.677 -5.933 14.639 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.937 -6.951 13.203 1.00 0.00 H new ATOM 11 N ALA A 2 -10.836 -4.112 11.470 1.00 0.00 N ATOM 12 CA ALA A 2 -11.254 -3.899 10.095 1.00 0.00 C ATOM 13 C ALA A 2 -11.040 -2.429 9.724 1.00 0.00 C ATOM 14 O ALA A 2 -11.989 -1.728 9.375 1.00 0.00 O ATOM 15 CB ALA A 2 -12.712 -4.332 9.932 1.00 0.00 C ATOM 0 H ALA A 2 -10.525 -3.271 11.957 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.655 -4.503 9.414 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.026 -4.172 8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.808 -5.389 10.181 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.343 -3.744 10.598 1.00 0.00 H new ATOM 21 N PRO A 3 -9.755 -1.996 9.815 1.00 0.00 N ATOM 22 CA PRO A 3 -9.403 -0.623 9.492 1.00 0.00 C ATOM 23 C PRO A 3 -9.410 -0.395 7.980 1.00 0.00 C ATOM 24 O PRO A 3 -8.399 -0.608 7.312 1.00 0.00 O ATOM 25 CB PRO A 3 -8.034 -0.409 10.119 1.00 0.00 C ATOM 26 CG PRO A 3 -7.469 -1.800 10.366 1.00 0.00 C ATOM 27 CD PRO A 3 -8.606 -2.800 10.224 1.00 0.00 C ATOM 0 HA PRO A 3 -10.122 0.097 9.882 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.386 0.164 9.456 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.114 0.152 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.675 -2.021 9.652 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.029 -1.862 11.361 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.372 -3.563 9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.799 -3.317 11.164 1.00 0.00 H new ATOM 35 N THR A 4 -10.560 0.033 7.484 1.00 0.00 N ATOM 36 CA THR A 4 -10.712 0.292 6.061 1.00 0.00 C ATOM 37 C THR A 4 -10.133 -0.864 5.245 1.00 0.00 C ATOM 38 O THR A 4 -10.575 -2.004 5.378 1.00 0.00 O ATOM 39 CB THR A 4 -10.058 1.641 5.755 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.663 1.392 5.903 1.00 0.00 O ATOM 41 CG2 THR A 4 -10.364 2.697 6.820 1.00 0.00 C ATOM 0 H THR A 4 -11.396 0.207 8.041 1.00 0.00 H new ATOM 0 HA THR A 4 -11.763 0.353 5.779 1.00 0.00 H new ATOM 0 HB THR A 4 -10.400 1.997 4.783 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.529 0.504 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.876 3.634 6.554 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.441 2.853 6.879 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.993 2.357 7.787 1.00 0.00 H new ATOM 49 N ALA A 5 -9.155 -0.530 4.417 1.00 0.00 N ATOM 50 CA ALA A 5 -8.511 -1.525 3.578 1.00 0.00 C ATOM 51 C ALA A 5 -7.364 -2.176 4.355 1.00 0.00 C ATOM 52 O ALA A 5 -6.417 -1.500 4.751 1.00 0.00 O ATOM 53 CB ALA A 5 -8.039 -0.869 2.280 1.00 0.00 C ATOM 0 H ALA A 5 -8.792 0.417 4.309 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.214 -2.313 3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.555 -1.616 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.895 -0.449 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.329 -0.075 2.511 1.00 0.00 H new ATOM 59 N THR A 6 -7.488 -3.480 4.548 1.00 0.00 N ATOM 60 CA THR A 6 -6.474 -4.229 5.271 1.00 0.00 C ATOM 61 C THR A 6 -6.088 -5.490 4.494 1.00 0.00 C ATOM 62 O THR A 6 -6.930 -6.106 3.842 1.00 0.00 O ATOM 63 CB THR A 6 -7.011 -4.522 6.673 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.421 -4.628 6.491 1.00 0.00 O ATOM 65 CG2 THR A 6 -6.846 -3.334 7.623 1.00 0.00 C ATOM 0 H THR A 6 -8.275 -4.038 4.217 1.00 0.00 H new ATOM 0 HA THR A 6 -5.555 -3.652 5.373 1.00 0.00 H new ATOM 0 HB THR A 6 -6.496 -5.390 7.084 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.849 -4.819 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.243 -3.595 8.604 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.789 -3.085 7.714 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.389 -2.475 7.229 1.00 0.00 H new ATOM 73 N VAL A 7 -4.812 -5.838 4.587 1.00 0.00 N ATOM 74 CA VAL A 7 -4.303 -7.012 3.901 1.00 0.00 C ATOM 75 C VAL A 7 -4.310 -8.202 4.864 1.00 0.00 C ATOM 76 O VAL A 7 -3.710 -8.142 5.934 1.00 0.00 O ATOM 77 CB VAL A 7 -2.919 -6.722 3.319 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.132 -8.017 3.101 1.00 0.00 C ATOM 79 CG2 VAL A 7 -3.025 -5.918 2.023 1.00 0.00 C ATOM 0 H VAL A 7 -4.116 -5.326 5.128 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.945 -7.270 3.059 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.373 -6.117 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.152 -7.782 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.009 -8.533 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.674 -8.660 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.026 -5.726 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.600 -6.484 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.525 -4.970 2.223 1.00 0.00 H new ATOM 89 N THR A 8 -4.999 -9.257 4.446 1.00 0.00 N ATOM 90 CA THR A 8 -5.090 -10.457 5.257 1.00 0.00 C ATOM 91 C THR A 8 -3.698 -11.037 5.513 1.00 0.00 C ATOM 92 O THR A 8 -3.201 -10.999 6.637 1.00 0.00 O ATOM 93 CB THR A 8 -6.036 -11.433 4.552 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.303 -11.184 5.152 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.738 -12.892 4.901 1.00 0.00 C ATOM 0 H THR A 8 -5.498 -9.303 3.557 1.00 0.00 H new ATOM 0 HA THR A 8 -5.501 -10.238 6.243 1.00 0.00 H new ATOM 0 HB THR A 8 -5.961 -11.295 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.976 -11.774 4.752 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.437 -13.542 4.375 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.719 -13.137 4.601 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.845 -13.038 5.976 1.00 0.00 H new ATOM 103 N PRO A 9 -3.092 -11.578 4.421 1.00 0.00 N ATOM 104 CA PRO A 9 -1.766 -12.165 4.517 1.00 0.00 C ATOM 105 C PRO A 9 -0.692 -11.081 4.620 1.00 0.00 C ATOM 106 O PRO A 9 0.230 -11.036 3.807 1.00 0.00 O ATOM 107 CB PRO A 9 -1.626 -13.023 3.269 1.00 0.00 C ATOM 108 CG PRO A 9 -2.682 -12.522 2.299 1.00 0.00 C ATOM 109 CD PRO A 9 -3.649 -11.643 3.074 1.00 0.00 C ATOM 0 HA PRO A 9 -1.636 -12.767 5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.628 -12.931 2.841 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.777 -14.077 3.501 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.219 -11.958 1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.210 -13.360 1.843 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.726 -10.651 2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.653 -12.068 3.081 1.00 0.00 H new ATOM 117 N SER A 10 -0.846 -10.235 5.628 1.00 0.00 N ATOM 118 CA SER A 10 0.101 -9.153 5.848 1.00 0.00 C ATOM 119 C SER A 10 1.237 -9.629 6.755 1.00 0.00 C ATOM 120 O SER A 10 2.108 -8.846 7.128 1.00 0.00 O ATOM 121 CB SER A 10 -0.592 -7.934 6.460 1.00 0.00 C ATOM 122 OG SER A 10 0.330 -7.082 7.137 1.00 0.00 O ATOM 0 H SER A 10 -1.611 -10.276 6.301 1.00 0.00 H new ATOM 0 HA SER A 10 0.515 -8.857 4.884 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.097 -7.371 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.360 -8.266 7.159 1.00 0.00 H new ATOM 0 HG SER A 10 1.246 -7.363 6.932 1.00 0.00 H new ATOM 128 N SER A 11 1.192 -10.913 7.082 1.00 0.00 N ATOM 129 CA SER A 11 2.206 -11.503 7.939 1.00 0.00 C ATOM 130 C SER A 11 3.227 -12.266 7.090 1.00 0.00 C ATOM 131 O SER A 11 2.851 -13.004 6.179 1.00 0.00 O ATOM 132 CB SER A 11 1.578 -12.432 8.979 1.00 0.00 C ATOM 133 OG SER A 11 2.528 -13.345 9.523 1.00 0.00 O ATOM 0 H SER A 11 0.469 -11.561 6.769 1.00 0.00 H new ATOM 0 HA SER A 11 2.714 -10.699 8.472 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.146 -11.836 9.783 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.761 -12.989 8.521 1.00 0.00 H new ATOM 0 HG SER A 11 2.088 -13.920 10.184 1.00 0.00 H new ATOM 139 N GLY A 12 4.493 -12.066 7.423 1.00 0.00 N ATOM 140 CA GLY A 12 5.569 -12.728 6.702 1.00 0.00 C ATOM 141 C GLY A 12 5.211 -12.908 5.228 1.00 0.00 C ATOM 142 O GLY A 12 5.335 -14.005 4.684 1.00 0.00 O ATOM 0 H GLY A 12 4.799 -11.456 8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.484 -12.142 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.769 -13.700 7.153 1.00 0.00 H new ATOM 146 N LEU A 13 4.774 -11.816 4.618 1.00 0.00 N ATOM 147 CA LEU A 13 4.396 -11.840 3.215 1.00 0.00 C ATOM 148 C LEU A 13 5.660 -11.883 2.354 1.00 0.00 C ATOM 149 O LEU A 13 6.771 -11.927 2.877 1.00 0.00 O ATOM 150 CB LEU A 13 3.469 -10.666 2.889 1.00 0.00 C ATOM 151 CG LEU A 13 3.969 -9.281 3.306 1.00 0.00 C ATOM 152 CD1 LEU A 13 4.493 -8.502 2.097 1.00 0.00 C ATOM 153 CD2 LEU A 13 2.883 -8.510 4.059 1.00 0.00 C ATOM 0 H LEU A 13 4.673 -10.907 5.071 1.00 0.00 H new ATOM 0 HA LEU A 13 3.823 -12.740 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.290 -10.657 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.507 -10.844 3.370 1.00 0.00 H new ATOM 0 HG LEU A 13 4.805 -9.411 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.842 -7.521 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.318 -9.049 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.692 -8.380 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.264 -7.529 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.011 -8.388 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.599 -9.063 4.954 1.00 0.00 H new ATOM 165 N SER A 14 5.445 -11.871 1.047 1.00 0.00 N ATOM 166 CA SER A 14 6.554 -11.908 0.107 1.00 0.00 C ATOM 167 C SER A 14 6.336 -10.875 -1.001 1.00 0.00 C ATOM 168 O SER A 14 5.198 -10.558 -1.344 1.00 0.00 O ATOM 169 CB SER A 14 6.717 -13.305 -0.496 1.00 0.00 C ATOM 170 OG SER A 14 8.058 -13.555 -0.907 1.00 0.00 O ATOM 0 H SER A 14 4.521 -11.836 0.616 1.00 0.00 H new ATOM 0 HA SER A 14 7.469 -11.665 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.417 -14.054 0.237 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.050 -13.411 -1.351 1.00 0.00 H new ATOM 0 HG SER A 14 8.122 -14.457 -1.285 1.00 0.00 H new ATOM 176 N ASP A 15 7.445 -10.378 -1.530 1.00 0.00 N ATOM 177 CA ASP A 15 7.390 -9.389 -2.592 1.00 0.00 C ATOM 178 C ASP A 15 6.684 -9.989 -3.808 1.00 0.00 C ATOM 179 O ASP A 15 7.333 -10.530 -4.702 1.00 0.00 O ATOM 180 CB ASP A 15 8.795 -8.963 -3.021 1.00 0.00 C ATOM 181 CG ASP A 15 9.757 -10.116 -3.318 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.301 -10.667 -2.337 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.927 -10.418 -4.518 1.00 0.00 O ATOM 0 H ASP A 15 8.387 -10.642 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 15 6.850 -8.520 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.713 -8.339 -3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.226 -8.343 -2.235 1.00 0.00 H new ATOM 189 N GLY A 16 5.365 -9.877 -3.802 1.00 0.00 N ATOM 190 CA GLY A 16 4.564 -10.402 -4.895 1.00 0.00 C ATOM 191 C GLY A 16 3.576 -11.457 -4.391 1.00 0.00 C ATOM 192 O GLY A 16 3.247 -12.398 -5.113 1.00 0.00 O ATOM 0 H GLY A 16 4.830 -9.430 -3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.020 -9.589 -5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.216 -10.840 -5.651 1.00 0.00 H new ATOM 196 N THR A 17 3.132 -11.266 -3.159 1.00 0.00 N ATOM 197 CA THR A 17 2.187 -12.189 -2.551 1.00 0.00 C ATOM 198 C THR A 17 0.755 -11.684 -2.734 1.00 0.00 C ATOM 199 O THR A 17 0.470 -10.512 -2.490 1.00 0.00 O ATOM 200 CB THR A 17 2.584 -12.375 -1.086 1.00 0.00 C ATOM 201 OG1 THR A 17 3.211 -13.655 -1.055 1.00 0.00 O ATOM 202 CG2 THR A 17 1.373 -12.531 -0.166 1.00 0.00 C ATOM 0 H THR A 17 3.409 -10.485 -2.564 1.00 0.00 H new ATOM 0 HA THR A 17 2.218 -13.164 -3.037 1.00 0.00 H new ATOM 0 HB THR A 17 3.179 -11.521 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.501 -13.855 -0.141 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.711 -12.660 0.862 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.748 -11.641 -0.233 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.795 -13.404 -0.470 1.00 0.00 H new ATOM 210 N VAL A 18 -0.108 -12.595 -3.161 1.00 0.00 N ATOM 211 CA VAL A 18 -1.505 -12.254 -3.378 1.00 0.00 C ATOM 212 C VAL A 18 -2.204 -12.100 -2.026 1.00 0.00 C ATOM 213 O VAL A 18 -2.441 -13.085 -1.329 1.00 0.00 O ATOM 214 CB VAL A 18 -2.165 -13.305 -4.275 1.00 0.00 C ATOM 215 CG1 VAL A 18 -3.342 -12.705 -5.044 1.00 0.00 C ATOM 216 CG2 VAL A 18 -1.145 -13.927 -5.232 1.00 0.00 C ATOM 0 H VAL A 18 0.132 -13.566 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.590 -11.300 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.551 -14.098 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.794 -13.471 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.084 -12.331 -4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.988 -11.884 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.639 -14.670 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.716 -13.148 -5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.352 -14.406 -4.658 1.00 0.00 H new ATOM 226 N VAL A 19 -2.514 -10.854 -1.697 1.00 0.00 N ATOM 227 CA VAL A 19 -3.181 -10.558 -0.440 1.00 0.00 C ATOM 228 C VAL A 19 -4.583 -10.016 -0.730 1.00 0.00 C ATOM 229 O VAL A 19 -4.843 -9.500 -1.814 1.00 0.00 O ATOM 230 CB VAL A 19 -2.328 -9.596 0.392 1.00 0.00 C ATOM 231 CG1 VAL A 19 -0.964 -10.211 0.710 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.173 -8.250 -0.317 1.00 0.00 C ATOM 0 H VAL A 19 -2.316 -10.039 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.297 -11.464 0.155 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.843 -9.419 1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.377 -9.508 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.103 -11.133 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.438 -10.431 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.563 -7.585 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.690 -8.401 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.156 -7.804 -0.469 1.00 0.00 H new ATOM 242 N LYS A 20 -5.450 -10.154 0.264 1.00 0.00 N ATOM 243 CA LYS A 20 -6.820 -9.684 0.131 1.00 0.00 C ATOM 244 C LYS A 20 -6.984 -8.375 0.905 1.00 0.00 C ATOM 245 O LYS A 20 -6.880 -8.357 2.131 1.00 0.00 O ATOM 246 CB LYS A 20 -7.804 -10.776 0.556 1.00 0.00 C ATOM 247 CG LYS A 20 -9.247 -10.277 0.470 1.00 0.00 C ATOM 248 CD LYS A 20 -10.237 -11.438 0.587 1.00 0.00 C ATOM 249 CE LYS A 20 -11.037 -11.347 1.888 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.475 -11.583 1.630 1.00 0.00 N ATOM 0 H LYS A 20 -5.231 -10.584 1.163 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.049 -9.468 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.679 -11.651 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.585 -11.091 1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.433 -9.554 1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.400 -9.758 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.918 -11.427 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.698 -12.385 0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.665 -12.081 2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.899 -10.364 2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.003 -11.518 2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.830 -10.867 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.603 -12.530 1.221 1.00 0.00 H new ATOM 264 N VAL A 21 -7.236 -7.310 0.158 1.00 0.00 N ATOM 265 CA VAL A 21 -7.414 -5.999 0.758 1.00 0.00 C ATOM 266 C VAL A 21 -8.901 -5.767 1.035 1.00 0.00 C ATOM 267 O VAL A 21 -9.652 -5.392 0.136 1.00 0.00 O ATOM 268 CB VAL A 21 -6.798 -4.925 -0.139 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.723 -3.579 0.587 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.419 -5.354 -0.642 1.00 0.00 C ATOM 0 H VAL A 21 -7.321 -7.329 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.893 -5.943 1.714 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.447 -4.802 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.281 -2.833 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.727 -3.263 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.108 -3.682 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.004 -4.572 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.757 -5.520 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.512 -6.276 -1.215 1.00 0.00 H new ATOM 280 N ALA A 22 -9.281 -6.003 2.282 1.00 0.00 N ATOM 281 CA ALA A 22 -10.665 -5.825 2.688 1.00 0.00 C ATOM 282 C ALA A 22 -10.875 -4.382 3.152 1.00 0.00 C ATOM 283 O ALA A 22 -10.338 -3.972 4.180 1.00 0.00 O ATOM 284 CB ALA A 22 -11.014 -6.844 3.776 1.00 0.00 C ATOM 0 H ALA A 22 -8.655 -6.316 3.024 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.337 -6.002 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.052 -6.710 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.877 -7.853 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.362 -6.695 4.636 1.00 0.00 H new ATOM 290 N GLY A 23 -11.657 -3.650 2.373 1.00 0.00 N ATOM 291 CA GLY A 23 -11.944 -2.263 2.689 1.00 0.00 C ATOM 292 C GLY A 23 -13.206 -2.147 3.550 1.00 0.00 C ATOM 293 O GLY A 23 -14.317 -2.106 3.024 1.00 0.00 O ATOM 0 H GLY A 23 -12.102 -3.993 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.098 -1.824 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.074 -1.696 1.768 1.00 0.00 H new ATOM 297 N ALA A 24 -12.990 -2.094 4.856 1.00 0.00 N ATOM 298 CA ALA A 24 -14.095 -1.984 5.792 1.00 0.00 C ATOM 299 C ALA A 24 -14.276 -0.517 6.188 1.00 0.00 C ATOM 300 O ALA A 24 -13.672 -0.050 7.153 1.00 0.00 O ATOM 301 CB ALA A 24 -13.831 -2.884 7.000 1.00 0.00 C ATOM 0 H ALA A 24 -12.066 -2.125 5.288 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.024 -2.320 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.660 -2.802 7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.737 -3.918 6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.908 -2.574 7.490 1.00 0.00 H new ATOM 307 N GLY A 25 -15.112 0.169 5.421 1.00 0.00 N ATOM 308 CA GLY A 25 -15.382 1.573 5.679 1.00 0.00 C ATOM 309 C GLY A 25 -14.511 2.470 4.797 1.00 0.00 C ATOM 310 O GLY A 25 -14.036 3.515 5.243 1.00 0.00 O ATOM 0 H GLY A 25 -15.611 -0.222 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.435 1.785 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.194 1.796 6.729 1.00 0.00 H new ATOM 314 N LEU A 26 -14.326 2.031 3.562 1.00 0.00 N ATOM 315 CA LEU A 26 -13.520 2.780 2.614 1.00 0.00 C ATOM 316 C LEU A 26 -14.091 4.192 2.470 1.00 0.00 C ATOM 317 O LEU A 26 -14.525 4.794 3.452 1.00 0.00 O ATOM 318 CB LEU A 26 -13.411 2.022 1.288 1.00 0.00 C ATOM 319 CG LEU A 26 -12.076 2.151 0.550 1.00 0.00 C ATOM 320 CD1 LEU A 26 -11.110 1.040 0.967 1.00 0.00 C ATOM 321 CD2 LEU A 26 -12.288 2.190 -0.965 1.00 0.00 C ATOM 0 H LEU A 26 -14.721 1.165 3.195 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.499 2.885 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.597 0.965 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.204 2.370 0.627 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.618 3.098 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.169 1.155 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.924 1.103 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.547 0.070 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.324 2.282 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.778 1.271 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.913 3.045 -1.223 1.00 0.00 H new ATOM 333 N GLN A 27 -14.072 4.681 1.238 1.00 0.00 N ATOM 334 CA GLN A 27 -14.583 6.011 0.954 1.00 0.00 C ATOM 335 C GLN A 27 -16.096 5.964 0.735 1.00 0.00 C ATOM 336 O GLN A 27 -16.620 6.627 -0.157 1.00 0.00 O ATOM 337 CB GLN A 27 -13.874 6.623 -0.256 1.00 0.00 C ATOM 338 CG GLN A 27 -14.234 8.102 -0.412 1.00 0.00 C ATOM 339 CD GLN A 27 -13.261 8.989 0.369 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.822 8.663 1.460 1.00 0.00 O ATOM 341 NE2 GLN A 27 -12.950 10.125 -0.249 1.00 0.00 N ATOM 0 H GLN A 27 -13.711 4.180 0.426 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.380 6.648 1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.795 6.518 -0.142 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.153 6.080 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.214 8.375 -1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.251 8.272 -0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.354 10.336 -1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.308 10.785 0.190 1.00 0.00 H new ATOM 350 N ALA A 28 -16.758 5.172 1.567 1.00 0.00 N ATOM 351 CA ALA A 28 -18.201 5.028 1.477 1.00 0.00 C ATOM 352 C ALA A 28 -18.547 4.142 0.280 1.00 0.00 C ATOM 353 O ALA A 28 -19.696 3.738 0.114 1.00 0.00 O ATOM 354 CB ALA A 28 -18.846 6.412 1.384 1.00 0.00 C ATOM 0 H ALA A 28 -16.321 4.623 2.307 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.595 4.543 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.929 6.305 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.593 6.992 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.476 6.927 0.497 1.00 0.00 H new ATOM 360 N GLY A 29 -17.530 3.865 -0.524 1.00 0.00 N ATOM 361 CA GLY A 29 -17.712 3.035 -1.704 1.00 0.00 C ATOM 362 C GLY A 29 -17.180 3.733 -2.955 1.00 0.00 C ATOM 363 O GLY A 29 -17.287 3.203 -4.061 1.00 0.00 O ATOM 0 H GLY A 29 -16.577 4.201 -0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.196 2.085 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.770 2.808 -1.833 1.00 0.00 H new ATOM 367 N THR A 30 -16.616 4.913 -2.741 1.00 0.00 N ATOM 368 CA THR A 30 -16.066 5.690 -3.838 1.00 0.00 C ATOM 369 C THR A 30 -14.982 4.891 -4.566 1.00 0.00 C ATOM 370 O THR A 30 -15.011 3.661 -4.573 1.00 0.00 O ATOM 371 CB THR A 30 -15.564 7.020 -3.272 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.555 7.386 -2.317 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.604 8.148 -4.302 1.00 0.00 C ATOM 0 H THR A 30 -16.528 5.350 -1.823 1.00 0.00 H new ATOM 0 HA THR A 30 -16.826 5.907 -4.589 1.00 0.00 H new ATOM 0 HB THR A 30 -14.543 6.898 -2.909 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.304 7.038 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.237 9.069 -3.848 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.974 7.887 -5.152 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.629 8.294 -4.642 1.00 0.00 H new ATOM 381 N ALA A 31 -14.051 5.624 -5.160 1.00 0.00 N ATOM 382 CA ALA A 31 -12.960 4.999 -5.889 1.00 0.00 C ATOM 383 C ALA A 31 -11.639 5.658 -5.484 1.00 0.00 C ATOM 384 O ALA A 31 -11.535 6.883 -5.459 1.00 0.00 O ATOM 385 CB ALA A 31 -13.225 5.101 -7.391 1.00 0.00 C ATOM 0 H ALA A 31 -14.030 6.644 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.890 3.940 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.407 4.632 -7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.159 4.593 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.298 6.150 -7.677 1.00 0.00 H new ATOM 391 N TYR A 32 -10.664 4.815 -5.178 1.00 0.00 N ATOM 392 CA TYR A 32 -9.355 5.300 -4.775 1.00 0.00 C ATOM 393 C TYR A 32 -8.247 4.626 -5.588 1.00 0.00 C ATOM 394 O TYR A 32 -8.518 3.984 -6.600 1.00 0.00 O ATOM 395 CB TYR A 32 -9.196 4.915 -3.302 1.00 0.00 C ATOM 396 CG TYR A 32 -9.595 6.021 -2.325 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.827 6.633 -2.439 1.00 0.00 C ATOM 398 CD2 TYR A 32 -8.724 6.408 -1.328 1.00 0.00 C ATOM 399 CE1 TYR A 32 -11.202 7.675 -1.517 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.097 7.449 -0.406 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.319 8.030 -0.547 1.00 0.00 C ATOM 402 OH TYR A 32 -10.673 9.014 0.324 1.00 0.00 O ATOM 0 H TYR A 32 -10.754 3.799 -5.201 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.278 6.375 -4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.801 4.031 -3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.157 4.640 -3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.510 6.331 -3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.760 5.929 -1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.163 8.163 -1.595 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.423 7.761 0.378 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.091 8.615 1.116 1.00 0.00 H new ATOM 412 N ASP A 33 -7.021 4.796 -5.113 1.00 0.00 N ATOM 413 CA ASP A 33 -5.872 4.214 -5.783 1.00 0.00 C ATOM 414 C ASP A 33 -5.043 3.424 -4.769 1.00 0.00 C ATOM 415 O ASP A 33 -4.556 3.984 -3.788 1.00 0.00 O ATOM 416 CB ASP A 33 -4.976 5.299 -6.385 1.00 0.00 C ATOM 417 CG ASP A 33 -4.157 4.862 -7.602 1.00 0.00 C ATOM 418 OD1 ASP A 33 -3.354 3.919 -7.436 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.354 5.480 -8.669 1.00 0.00 O ATOM 0 H ASP A 33 -6.800 5.329 -4.272 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.238 3.567 -6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.599 6.146 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.292 5.653 -5.614 1.00 0.00 H new ATOM 425 N VAL A 34 -4.907 2.132 -5.041 1.00 0.00 N ATOM 426 CA VAL A 34 -4.147 1.261 -4.164 1.00 0.00 C ATOM 427 C VAL A 34 -2.652 1.480 -4.405 1.00 0.00 C ATOM 428 O VAL A 34 -2.170 1.323 -5.527 1.00 0.00 O ATOM 429 CB VAL A 34 -4.579 -0.193 -4.370 1.00 0.00 C ATOM 430 CG1 VAL A 34 -3.733 -1.141 -3.516 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.068 -0.370 -4.074 1.00 0.00 C ATOM 0 H VAL A 34 -5.311 1.670 -5.856 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.346 1.501 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.414 -0.447 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.060 -2.168 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.684 -1.045 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.852 -0.886 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.348 -1.412 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.269 -0.089 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.650 0.265 -4.742 1.00 0.00 H new ATOM 441 N GLY A 35 -1.960 1.840 -3.336 1.00 0.00 N ATOM 442 CA GLY A 35 -0.528 2.082 -3.416 1.00 0.00 C ATOM 443 C GLY A 35 0.113 2.057 -2.028 1.00 0.00 C ATOM 444 O GLY A 35 -0.190 2.899 -1.185 1.00 0.00 O ATOM 0 H GLY A 35 -2.363 1.971 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.063 1.326 -4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.345 3.048 -3.887 1.00 0.00 H new ATOM 448 N GLN A 36 0.987 1.081 -1.833 1.00 0.00 N ATOM 449 CA GLN A 36 1.673 0.933 -0.560 1.00 0.00 C ATOM 450 C GLN A 36 2.739 2.021 -0.403 1.00 0.00 C ATOM 451 O GLN A 36 3.827 1.914 -0.967 1.00 0.00 O ATOM 452 CB GLN A 36 2.289 -0.460 -0.428 1.00 0.00 C ATOM 453 CG GLN A 36 3.440 -0.648 -1.418 1.00 0.00 C ATOM 454 CD GLN A 36 3.270 -1.942 -2.217 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.294 -2.662 -2.081 1.00 0.00 O ATOM 456 NE2 GLN A 36 4.270 -2.197 -3.057 1.00 0.00 N ATOM 0 H GLN A 36 1.236 0.384 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 36 0.942 1.048 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.652 -0.606 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.525 -1.217 -0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.481 0.202 -2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.388 -0.671 -0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.058 -1.553 -3.122 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.248 -3.037 -3.636 1.00 0.00 H new ATOM 465 N CYS A 37 2.389 3.041 0.366 1.00 0.00 N ATOM 466 CA CYS A 37 3.300 4.146 0.603 1.00 0.00 C ATOM 467 C CYS A 37 3.971 3.932 1.962 1.00 0.00 C ATOM 468 O CYS A 37 3.395 3.304 2.851 1.00 0.00 O ATOM 469 CB CYS A 37 2.587 5.497 0.527 1.00 0.00 C ATOM 470 SG CYS A 37 3.477 6.783 -0.420 1.00 0.00 S ATOM 0 H CYS A 37 1.486 3.125 0.833 1.00 0.00 H new ATOM 0 HA CYS A 37 4.059 4.167 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.605 5.349 0.077 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.421 5.862 1.541 1.00 0.00 H new ATOM 475 N ALA A 38 5.179 4.464 2.082 1.00 0.00 N ATOM 476 CA ALA A 38 5.933 4.338 3.318 1.00 0.00 C ATOM 477 C ALA A 38 7.346 4.881 3.104 1.00 0.00 C ATOM 478 O ALA A 38 7.786 5.048 1.967 1.00 0.00 O ATOM 479 CB ALA A 38 5.932 2.875 3.770 1.00 0.00 C ATOM 0 H ALA A 38 5.654 4.983 1.344 1.00 0.00 H new ATOM 0 HA ALA A 38 5.471 4.924 4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.497 2.780 4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.906 2.546 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.392 2.256 3.000 1.00 0.00 H new ATOM 485 N TRP A 39 8.021 5.142 4.215 1.00 0.00 N ATOM 486 CA TRP A 39 9.376 5.663 4.165 1.00 0.00 C ATOM 487 C TRP A 39 10.260 4.616 3.484 1.00 0.00 C ATOM 488 O TRP A 39 10.932 3.834 4.157 1.00 0.00 O ATOM 489 CB TRP A 39 9.868 6.047 5.560 1.00 0.00 C ATOM 490 CG TRP A 39 9.893 4.884 6.553 1.00 0.00 C ATOM 491 CD1 TRP A 39 8.861 4.346 7.219 1.00 0.00 C ATOM 492 CD2 TRP A 39 11.052 4.132 6.969 1.00 0.00 C ATOM 493 NE1 TRP A 39 9.270 3.307 8.030 1.00 0.00 N ATOM 494 CE2 TRP A 39 10.645 3.172 7.873 1.00 0.00 C ATOM 495 CE3 TRP A 39 12.401 4.259 6.594 1.00 0.00 C ATOM 496 CZ2 TRP A 39 11.523 2.266 8.477 1.00 0.00 C ATOM 497 CZ3 TRP A 39 13.268 3.345 7.207 1.00 0.00 C ATOM 498 CH2 TRP A 39 12.872 2.373 8.120 1.00 0.00 C ATOM 0 H TRP A 39 7.653 5.002 5.156 1.00 0.00 H new ATOM 0 HA TRP A 39 9.415 6.583 3.581 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.872 6.463 5.478 1.00 0.00 H new ATOM 0 HB3 TRP A 39 9.228 6.835 5.956 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.839 4.683 7.132 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.673 2.742 8.634 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.742 5.003 5.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.178 1.523 9.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 14.316 3.399 6.953 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.602 1.704 8.551 1.00 0.00 H new ATOM 509 N VAL A 40 10.231 4.631 2.160 1.00 0.00 N ATOM 510 CA VAL A 40 11.022 3.691 1.383 1.00 0.00 C ATOM 511 C VAL A 40 12.489 4.127 1.403 1.00 0.00 C ATOM 512 O VAL A 40 13.385 3.292 1.516 1.00 0.00 O ATOM 513 CB VAL A 40 10.452 3.574 -0.033 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.287 4.383 -1.028 1.00 0.00 C ATOM 515 CG2 VAL A 40 10.352 2.110 -0.464 1.00 0.00 C ATOM 0 H VAL A 40 9.672 5.279 1.605 1.00 0.00 H new ATOM 0 HA VAL A 40 10.973 2.695 1.823 1.00 0.00 H new ATOM 0 HB VAL A 40 9.445 3.990 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.861 4.283 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.285 5.433 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.311 4.010 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.944 2.055 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.343 1.657 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.697 1.573 0.222 1.00 0.00 H new ATOM 525 N ASP A 41 12.687 5.432 1.294 1.00 0.00 N ATOM 526 CA ASP A 41 14.029 5.988 1.297 1.00 0.00 C ATOM 527 C ASP A 41 14.433 6.325 2.735 1.00 0.00 C ATOM 528 O ASP A 41 13.947 5.705 3.680 1.00 0.00 O ATOM 529 CB ASP A 41 14.095 7.275 0.473 1.00 0.00 C ATOM 530 CG ASP A 41 15.410 7.496 -0.277 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.403 8.344 -1.196 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.391 6.811 0.083 1.00 0.00 O ATOM 0 H ASP A 41 11.940 6.121 1.203 1.00 0.00 H new ATOM 0 HA ASP A 41 14.701 5.248 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.279 7.268 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.926 8.123 1.137 1.00 0.00 H new ATOM 538 N THR A 42 15.317 7.304 2.853 1.00 0.00 N ATOM 539 CA THR A 42 15.790 7.731 4.158 1.00 0.00 C ATOM 540 C THR A 42 14.744 8.611 4.844 1.00 0.00 C ATOM 541 O THR A 42 14.945 9.815 4.999 1.00 0.00 O ATOM 542 CB THR A 42 17.139 8.427 3.968 1.00 0.00 C ATOM 543 OG1 THR A 42 18.084 7.359 3.972 1.00 0.00 O ATOM 544 CG2 THR A 42 17.535 9.280 5.176 1.00 0.00 C ATOM 0 H THR A 42 15.718 7.814 2.066 1.00 0.00 H new ATOM 0 HA THR A 42 15.938 6.879 4.822 1.00 0.00 H new ATOM 0 HB THR A 42 17.101 9.055 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.987 7.721 3.852 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.500 9.751 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.781 10.050 5.341 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.606 8.647 6.061 1.00 0.00 H new ATOM 552 N GLY A 43 13.649 7.976 5.238 1.00 0.00 N ATOM 553 CA GLY A 43 12.570 8.687 5.903 1.00 0.00 C ATOM 554 C GLY A 43 11.675 9.400 4.888 1.00 0.00 C ATOM 555 O GLY A 43 10.981 10.357 5.231 1.00 0.00 O ATOM 0 H GLY A 43 13.486 6.977 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.975 7.986 6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.985 9.414 6.601 1.00 0.00 H new ATOM 559 N VAL A 44 11.722 8.911 3.658 1.00 0.00 N ATOM 560 CA VAL A 44 10.924 9.490 2.591 1.00 0.00 C ATOM 561 C VAL A 44 9.747 8.563 2.280 1.00 0.00 C ATOM 562 O VAL A 44 9.934 7.482 1.722 1.00 0.00 O ATOM 563 CB VAL A 44 11.806 9.768 1.371 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.032 10.544 0.303 1.00 0.00 C ATOM 565 CG2 VAL A 44 13.080 10.510 1.773 1.00 0.00 C ATOM 0 H VAL A 44 12.301 8.120 3.376 1.00 0.00 H new ATOM 0 HA VAL A 44 10.509 10.449 2.901 1.00 0.00 H new ATOM 0 HB VAL A 44 12.099 8.809 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.680 10.729 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.168 9.961 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.696 11.495 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.688 10.695 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.816 11.460 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.645 9.905 2.482 1.00 0.00 H new ATOM 575 N LEU A 45 8.561 9.020 2.652 1.00 0.00 N ATOM 576 CA LEU A 45 7.354 8.247 2.421 1.00 0.00 C ATOM 577 C LEU A 45 7.141 8.081 0.914 1.00 0.00 C ATOM 578 O LEU A 45 6.341 8.796 0.314 1.00 0.00 O ATOM 579 CB LEU A 45 6.164 8.879 3.143 1.00 0.00 C ATOM 580 CG LEU A 45 5.181 7.906 3.800 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.307 8.621 4.832 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.345 7.178 2.746 1.00 0.00 C ATOM 0 H LEU A 45 8.410 9.918 3.113 1.00 0.00 H new ATOM 0 HA LEU A 45 7.457 7.247 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.546 9.551 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.615 9.491 2.428 1.00 0.00 H new ATOM 0 HG LEU A 45 5.755 7.150 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.618 7.907 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.939 9.054 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.740 9.412 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.655 6.493 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.780 7.906 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.004 6.616 2.084 1.00 0.00 H new ATOM 594 N ALA A 46 7.871 7.133 0.347 1.00 0.00 N ATOM 595 CA ALA A 46 7.772 6.864 -1.078 1.00 0.00 C ATOM 596 C ALA A 46 6.736 5.763 -1.315 1.00 0.00 C ATOM 597 O ALA A 46 6.592 4.856 -0.498 1.00 0.00 O ATOM 598 CB ALA A 46 9.152 6.492 -1.624 1.00 0.00 C ATOM 0 H ALA A 46 8.534 6.541 0.848 1.00 0.00 H new ATOM 0 HA ALA A 46 7.437 7.752 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.078 6.290 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.844 7.318 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.519 5.603 -1.111 1.00 0.00 H new ATOM 604 N CYS A 47 6.043 5.881 -2.438 1.00 0.00 N ATOM 605 CA CYS A 47 5.024 4.906 -2.791 1.00 0.00 C ATOM 606 C CYS A 47 5.633 3.913 -3.782 1.00 0.00 C ATOM 607 O CYS A 47 6.577 4.244 -4.498 1.00 0.00 O ATOM 608 CB CYS A 47 3.770 5.579 -3.356 1.00 0.00 C ATOM 609 SG CYS A 47 3.133 6.974 -2.358 1.00 0.00 S ATOM 0 H CYS A 47 6.166 6.635 -3.114 1.00 0.00 H new ATOM 0 HA CYS A 47 4.700 4.374 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.990 5.940 -4.361 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.984 4.830 -3.451 1.00 0.00 H new ATOM 614 N ASN A 48 5.068 2.713 -3.792 1.00 0.00 N ATOM 615 CA ASN A 48 5.545 1.670 -4.684 1.00 0.00 C ATOM 616 C ASN A 48 4.638 1.601 -5.912 1.00 0.00 C ATOM 617 O ASN A 48 3.425 1.439 -5.784 1.00 0.00 O ATOM 618 CB ASN A 48 5.517 0.303 -3.996 1.00 0.00 C ATOM 619 CG ASN A 48 6.416 0.291 -2.760 1.00 0.00 C ATOM 620 OD1 ASN A 48 7.445 -0.363 -2.714 1.00 0.00 O ATOM 621 ND2 ASN A 48 5.973 1.050 -1.761 1.00 0.00 N ATOM 0 H ASN A 48 4.285 2.441 -3.197 1.00 0.00 H new ATOM 0 HA ASN A 48 6.570 1.910 -4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.495 0.058 -3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.844 -0.466 -4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.503 1.109 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.103 1.573 -1.865 1.00 0.00 H new ATOM 628 N PRO A 49 5.275 1.731 -7.106 1.00 0.00 N ATOM 629 CA PRO A 49 4.538 1.685 -8.359 1.00 0.00 C ATOM 630 C PRO A 49 4.122 0.253 -8.698 1.00 0.00 C ATOM 631 O PRO A 49 3.599 -0.004 -9.780 1.00 0.00 O ATOM 632 CB PRO A 49 5.476 2.291 -9.389 1.00 0.00 C ATOM 633 CG PRO A 49 6.866 2.227 -8.778 1.00 0.00 C ATOM 634 CD PRO A 49 6.709 1.924 -7.295 1.00 0.00 C ATOM 0 HA PRO A 49 3.601 2.241 -8.317 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.436 1.737 -10.327 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.196 3.320 -9.614 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.462 1.455 -9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.390 3.172 -8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.269 1.033 -7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.082 2.744 -6.682 1.00 0.00 H new ATOM 642 N ALA A 50 4.372 -0.641 -7.753 1.00 0.00 N ATOM 643 CA ALA A 50 4.030 -2.042 -7.937 1.00 0.00 C ATOM 644 C ALA A 50 2.714 -2.341 -7.213 1.00 0.00 C ATOM 645 O ALA A 50 2.219 -3.465 -7.259 1.00 0.00 O ATOM 646 CB ALA A 50 5.182 -2.920 -7.440 1.00 0.00 C ATOM 0 H ALA A 50 4.808 -0.423 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 50 3.883 -2.265 -8.994 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.925 -3.970 -7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.085 -2.690 -8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.357 -2.726 -6.382 1.00 0.00 H new ATOM 652 N ASP A 51 2.188 -1.315 -6.562 1.00 0.00 N ATOM 653 CA ASP A 51 0.941 -1.455 -5.829 1.00 0.00 C ATOM 654 C ASP A 51 -0.131 -0.585 -6.487 1.00 0.00 C ATOM 655 O ASP A 51 -1.323 -0.770 -6.242 1.00 0.00 O ATOM 656 CB ASP A 51 1.099 -0.991 -4.379 1.00 0.00 C ATOM 657 CG ASP A 51 -0.142 -1.173 -3.504 1.00 0.00 C ATOM 658 OD1 ASP A 51 -1.161 -0.520 -3.822 1.00 0.00 O ATOM 659 OD2 ASP A 51 -0.044 -1.955 -2.535 1.00 0.00 O ATOM 0 H ASP A 51 2.602 -0.383 -6.526 1.00 0.00 H new ATOM 0 HA ASP A 51 0.658 -2.508 -5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.927 -1.537 -3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.374 0.064 -4.379 1.00 0.00 H new ATOM 665 N PHE A 52 0.329 0.346 -7.310 1.00 0.00 N ATOM 666 CA PHE A 52 -0.577 1.243 -8.007 1.00 0.00 C ATOM 667 C PHE A 52 -1.660 0.460 -8.753 1.00 0.00 C ATOM 668 O PHE A 52 -1.412 -0.073 -9.833 1.00 0.00 O ATOM 669 CB PHE A 52 0.260 2.025 -9.020 1.00 0.00 C ATOM 670 CG PHE A 52 0.958 3.254 -8.433 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.554 3.179 -7.212 1.00 0.00 C ATOM 672 CD2 PHE A 52 0.985 4.420 -9.133 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.202 4.319 -6.670 1.00 0.00 C ATOM 674 CE2 PHE A 52 1.634 5.560 -8.589 1.00 0.00 C ATOM 675 CZ PHE A 52 2.228 5.485 -7.368 1.00 0.00 C ATOM 0 H PHE A 52 1.318 0.499 -7.510 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.071 1.901 -7.292 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.013 1.360 -9.444 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.384 2.343 -9.840 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.534 2.253 -6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.513 4.479 -10.103 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.675 4.260 -5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.656 6.486 -9.145 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.720 6.352 -6.953 1.00 0.00 H new ATOM 685 N SER A 53 -2.838 0.416 -8.147 1.00 0.00 N ATOM 686 CA SER A 53 -3.958 -0.293 -8.740 1.00 0.00 C ATOM 687 C SER A 53 -5.277 0.296 -8.234 1.00 0.00 C ATOM 688 O SER A 53 -5.693 0.021 -7.110 1.00 0.00 O ATOM 689 CB SER A 53 -3.891 -1.789 -8.429 1.00 0.00 C ATOM 690 OG SER A 53 -4.024 -2.586 -9.603 1.00 0.00 O ATOM 0 H SER A 53 -3.040 0.860 -7.251 1.00 0.00 H new ATOM 0 HA SER A 53 -3.904 -0.172 -9.822 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.942 -2.016 -7.943 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.681 -2.048 -7.724 1.00 0.00 H new ATOM 0 HG SER A 53 -3.974 -3.535 -9.362 1.00 0.00 H new ATOM 696 N SER A 54 -5.898 1.095 -9.089 1.00 0.00 N ATOM 697 CA SER A 54 -7.161 1.724 -8.743 1.00 0.00 C ATOM 698 C SER A 54 -8.134 0.679 -8.193 1.00 0.00 C ATOM 699 O SER A 54 -8.092 -0.482 -8.595 1.00 0.00 O ATOM 700 CB SER A 54 -7.772 2.434 -9.954 1.00 0.00 C ATOM 701 OG SER A 54 -8.385 1.519 -10.855 1.00 0.00 O ATOM 0 H SER A 54 -5.550 1.321 -10.021 1.00 0.00 H new ATOM 0 HA SER A 54 -6.971 2.473 -7.974 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.512 3.159 -9.614 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.995 2.992 -10.477 1.00 0.00 H new ATOM 0 HG SER A 54 -8.764 2.011 -11.613 1.00 0.00 H new ATOM 707 N VAL A 55 -8.985 1.129 -7.286 1.00 0.00 N ATOM 708 CA VAL A 55 -9.966 0.248 -6.676 1.00 0.00 C ATOM 709 C VAL A 55 -11.150 1.079 -6.175 1.00 0.00 C ATOM 710 O VAL A 55 -11.066 2.304 -6.099 1.00 0.00 O ATOM 711 CB VAL A 55 -9.311 -0.585 -5.575 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.069 0.259 -4.321 1.00 0.00 C ATOM 713 CG2 VAL A 55 -10.147 -1.824 -5.251 1.00 0.00 C ATOM 0 H VAL A 55 -9.016 2.094 -6.957 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.353 -0.459 -7.410 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.343 -0.924 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.602 -0.357 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.412 1.094 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.020 0.642 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.657 -2.398 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.137 -1.517 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.244 -2.441 -6.144 1.00 0.00 H new ATOM 723 N THR A 56 -12.225 0.378 -5.845 1.00 0.00 N ATOM 724 CA THR A 56 -13.424 1.035 -5.352 1.00 0.00 C ATOM 725 C THR A 56 -14.104 0.175 -4.286 1.00 0.00 C ATOM 726 O THR A 56 -13.933 -1.044 -4.265 1.00 0.00 O ATOM 727 CB THR A 56 -14.324 1.341 -6.550 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.029 2.697 -6.869 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.808 1.360 -6.179 1.00 0.00 C ATOM 0 H THR A 56 -12.291 -0.638 -5.909 1.00 0.00 H new ATOM 0 HA THR A 56 -13.183 1.977 -4.860 1.00 0.00 H new ATOM 0 HB THR A 56 -14.155 0.598 -7.329 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.602 3.290 -6.339 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.402 1.582 -7.066 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.097 0.386 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.984 2.126 -5.423 1.00 0.00 H new ATOM 737 N ALA A 57 -14.863 0.840 -3.426 1.00 0.00 N ATOM 738 CA ALA A 57 -15.570 0.150 -2.361 1.00 0.00 C ATOM 739 C ALA A 57 -17.058 0.077 -2.707 1.00 0.00 C ATOM 740 O ALA A 57 -17.599 0.986 -3.331 1.00 0.00 O ATOM 741 CB ALA A 57 -15.314 0.866 -1.032 1.00 0.00 C ATOM 0 H ALA A 57 -15.003 1.850 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.206 -0.872 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.844 0.349 -0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.245 0.865 -0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.670 1.894 -1.098 1.00 0.00 H new ATOM 747 N ASP A 58 -17.678 -1.016 -2.284 1.00 0.00 N ATOM 748 CA ASP A 58 -19.092 -1.222 -2.542 1.00 0.00 C ATOM 749 C ASP A 58 -19.895 -0.108 -1.865 1.00 0.00 C ATOM 750 O ASP A 58 -19.397 0.562 -0.963 1.00 0.00 O ATOM 751 CB ASP A 58 -19.568 -2.560 -1.974 1.00 0.00 C ATOM 752 CG ASP A 58 -18.550 -3.699 -2.064 1.00 0.00 C ATOM 753 OD1 ASP A 58 -18.643 -4.612 -1.214 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.702 -3.630 -2.979 1.00 0.00 O ATOM 0 H ASP A 58 -17.226 -1.768 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.242 -1.216 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.840 -2.418 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.474 -2.860 -2.501 1.00 0.00 H new ATOM 760 N ALA A 59 -21.126 0.056 -2.329 1.00 0.00 N ATOM 761 CA ALA A 59 -22.003 1.074 -1.781 1.00 0.00 C ATOM 762 C ALA A 59 -21.811 1.144 -0.264 1.00 0.00 C ATOM 763 O ALA A 59 -21.865 2.226 0.324 1.00 0.00 O ATOM 764 CB ALA A 59 -23.451 0.767 -2.170 1.00 0.00 C ATOM 0 H ALA A 59 -21.536 -0.501 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.756 2.053 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -24.109 1.532 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.542 0.757 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.735 -0.208 -1.773 1.00 0.00 H new ATOM 770 N ASN A 60 -21.591 -0.020 0.327 1.00 0.00 N ATOM 771 CA ASN A 60 -21.390 -0.104 1.765 1.00 0.00 C ATOM 772 C ASN A 60 -19.904 0.078 2.079 1.00 0.00 C ATOM 773 O ASN A 60 -19.375 -0.561 2.987 1.00 0.00 O ATOM 774 CB ASN A 60 -21.823 -1.471 2.302 1.00 0.00 C ATOM 775 CG ASN A 60 -22.326 -1.358 3.742 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.155 -0.352 4.409 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.956 -2.445 4.180 1.00 0.00 N ATOM 0 H ASN A 60 -21.547 -0.914 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.989 0.675 2.236 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.609 -1.882 1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.984 -2.165 2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.331 -2.470 5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.064 -3.253 3.567 1.00 0.00 H new ATOM 784 N GLY A 61 -19.271 0.954 1.309 1.00 0.00 N ATOM 785 CA GLY A 61 -17.857 1.228 1.495 1.00 0.00 C ATOM 786 C GLY A 61 -17.073 -0.067 1.721 1.00 0.00 C ATOM 787 O GLY A 61 -16.198 -0.123 2.584 1.00 0.00 O ATOM 0 H GLY A 61 -19.713 1.482 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.465 1.747 0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.721 1.893 2.348 1.00 0.00 H new ATOM 791 N SER A 62 -17.414 -1.074 0.931 1.00 0.00 N ATOM 792 CA SER A 62 -16.753 -2.363 1.035 1.00 0.00 C ATOM 793 C SER A 62 -15.805 -2.562 -0.149 1.00 0.00 C ATOM 794 O SER A 62 -16.231 -2.981 -1.225 1.00 0.00 O ATOM 795 CB SER A 62 -17.772 -3.502 1.097 1.00 0.00 C ATOM 796 OG SER A 62 -18.190 -3.775 2.431 1.00 0.00 O ATOM 0 H SER A 62 -18.140 -1.023 0.216 1.00 0.00 H new ATOM 0 HA SER A 62 -16.177 -2.378 1.960 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.641 -3.244 0.491 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.336 -4.402 0.663 1.00 0.00 H new ATOM 0 HG SER A 62 -18.841 -4.507 2.426 1.00 0.00 H new ATOM 802 N ALA A 63 -14.539 -2.252 0.088 1.00 0.00 N ATOM 803 CA ALA A 63 -13.528 -2.391 -0.946 1.00 0.00 C ATOM 804 C ALA A 63 -12.715 -3.664 -0.691 1.00 0.00 C ATOM 805 O ALA A 63 -11.572 -3.595 -0.244 1.00 0.00 O ATOM 806 CB ALA A 63 -12.653 -1.136 -0.978 1.00 0.00 C ATOM 0 H ALA A 63 -14.190 -1.905 0.981 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.993 -2.488 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.895 -1.241 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.273 -0.265 -1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.167 -1.006 -0.011 1.00 0.00 H new ATOM 812 N SER A 64 -13.337 -4.794 -0.987 1.00 0.00 N ATOM 813 CA SER A 64 -12.687 -6.078 -0.795 1.00 0.00 C ATOM 814 C SER A 64 -11.974 -6.502 -2.081 1.00 0.00 C ATOM 815 O SER A 64 -12.447 -7.380 -2.799 1.00 0.00 O ATOM 816 CB SER A 64 -13.695 -7.149 -0.374 1.00 0.00 C ATOM 817 OG SER A 64 -14.913 -7.058 -1.108 1.00 0.00 O ATOM 0 H SER A 64 -14.285 -4.847 -1.359 1.00 0.00 H new ATOM 0 HA SER A 64 -11.953 -5.972 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.257 -8.136 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.906 -7.049 0.691 1.00 0.00 H new ATOM 0 HG SER A 64 -15.528 -7.760 -0.810 1.00 0.00 H new ATOM 823 N THR A 65 -10.845 -5.855 -2.332 1.00 0.00 N ATOM 824 CA THR A 65 -10.061 -6.152 -3.519 1.00 0.00 C ATOM 825 C THR A 65 -8.759 -6.858 -3.135 1.00 0.00 C ATOM 826 O THR A 65 -8.162 -6.550 -2.106 1.00 0.00 O ATOM 827 CB THR A 65 -9.839 -4.842 -4.281 1.00 0.00 C ATOM 828 OG1 THR A 65 -11.156 -4.361 -4.531 1.00 0.00 O ATOM 829 CG2 THR A 65 -9.252 -5.067 -5.675 1.00 0.00 C ATOM 0 H THR A 65 -10.455 -5.127 -1.734 1.00 0.00 H new ATOM 0 HA THR A 65 -10.588 -6.843 -4.177 1.00 0.00 H new ATOM 0 HB THR A 65 -9.173 -4.197 -3.708 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.297 -4.281 -5.497 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.115 -4.106 -6.171 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.289 -5.571 -5.587 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.933 -5.684 -6.261 1.00 0.00 H new ATOM 837 N SER A 66 -8.359 -7.795 -3.983 1.00 0.00 N ATOM 838 CA SER A 66 -7.140 -8.547 -3.746 1.00 0.00 C ATOM 839 C SER A 66 -6.069 -8.145 -4.762 1.00 0.00 C ATOM 840 O SER A 66 -6.347 -8.039 -5.955 1.00 0.00 O ATOM 841 CB SER A 66 -7.400 -10.054 -3.820 1.00 0.00 C ATOM 842 OG SER A 66 -7.444 -10.523 -5.165 1.00 0.00 O ATOM 0 H SER A 66 -8.858 -8.050 -4.835 1.00 0.00 H new ATOM 0 HA SER A 66 -6.785 -8.314 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.618 -10.584 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.343 -10.284 -3.325 1.00 0.00 H new ATOM 0 HG SER A 66 -7.610 -11.489 -5.169 1.00 0.00 H new ATOM 848 N LEU A 67 -4.865 -7.928 -4.250 1.00 0.00 N ATOM 849 CA LEU A 67 -3.750 -7.539 -5.098 1.00 0.00 C ATOM 850 C LEU A 67 -2.477 -8.230 -4.609 1.00 0.00 C ATOM 851 O LEU A 67 -2.512 -8.991 -3.641 1.00 0.00 O ATOM 852 CB LEU A 67 -3.636 -6.015 -5.164 1.00 0.00 C ATOM 853 CG LEU A 67 -3.777 -5.391 -6.555 1.00 0.00 C ATOM 854 CD1 LEU A 67 -2.658 -5.864 -7.484 1.00 0.00 C ATOM 855 CD2 LEU A 67 -5.163 -5.666 -7.142 1.00 0.00 C ATOM 0 H LEU A 67 -4.638 -8.014 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.917 -7.869 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.399 -5.585 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.669 -5.725 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.678 -4.310 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.782 -5.406 -8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.693 -5.575 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.701 -6.949 -7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.236 -5.212 -8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.316 -6.742 -7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.925 -5.240 -6.490 1.00 0.00 H new ATOM 867 N THR A 68 -1.384 -7.943 -5.299 1.00 0.00 N ATOM 868 CA THR A 68 -0.101 -8.528 -4.946 1.00 0.00 C ATOM 869 C THR A 68 0.789 -7.489 -4.261 1.00 0.00 C ATOM 870 O THR A 68 1.066 -6.433 -4.826 1.00 0.00 O ATOM 871 CB THR A 68 0.518 -9.110 -6.219 1.00 0.00 C ATOM 872 OG1 THR A 68 1.606 -9.899 -5.744 1.00 0.00 O ATOM 873 CG2 THR A 68 1.183 -8.045 -7.089 1.00 0.00 C ATOM 0 H THR A 68 -1.360 -7.313 -6.101 1.00 0.00 H new ATOM 0 HA THR A 68 -0.220 -9.336 -4.224 1.00 0.00 H new ATOM 0 HB THR A 68 -0.253 -9.619 -6.797 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.064 -10.316 -6.504 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.605 -8.513 -7.978 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.442 -7.303 -7.387 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.977 -7.557 -6.524 1.00 0.00 H new ATOM 881 N VAL A 69 1.212 -7.825 -3.050 1.00 0.00 N ATOM 882 CA VAL A 69 2.062 -6.935 -2.280 1.00 0.00 C ATOM 883 C VAL A 69 3.526 -7.213 -2.625 1.00 0.00 C ATOM 884 O VAL A 69 4.157 -8.078 -2.018 1.00 0.00 O ATOM 885 CB VAL A 69 1.762 -7.083 -0.787 1.00 0.00 C ATOM 886 CG1 VAL A 69 2.215 -8.449 -0.269 1.00 0.00 C ATOM 887 CG2 VAL A 69 2.403 -5.951 0.018 1.00 0.00 C ATOM 0 H VAL A 69 0.981 -8.702 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 69 1.857 -5.896 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 69 0.682 -7.016 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.990 -8.528 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.690 -9.236 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.289 -8.558 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.174 -6.081 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.484 -5.970 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.009 -4.994 -0.323 1.00 0.00 H new ATOM 897 N ARG A 70 4.026 -6.462 -3.597 1.00 0.00 N ATOM 898 CA ARG A 70 5.403 -6.619 -4.029 1.00 0.00 C ATOM 899 C ARG A 70 6.326 -5.726 -3.195 1.00 0.00 C ATOM 900 O ARG A 70 6.853 -4.733 -3.693 1.00 0.00 O ATOM 901 CB ARG A 70 5.560 -6.261 -5.508 1.00 0.00 C ATOM 902 CG ARG A 70 4.711 -7.180 -6.387 1.00 0.00 C ATOM 903 CD ARG A 70 5.576 -8.248 -7.061 1.00 0.00 C ATOM 904 NE ARG A 70 4.819 -8.902 -8.148 1.00 0.00 N ATOM 905 CZ ARG A 70 5.254 -9.968 -8.834 1.00 0.00 C ATOM 906 NH1 ARG A 70 6.447 -10.507 -8.546 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.499 -10.496 -9.805 1.00 0.00 N ATOM 0 H ARG A 70 3.501 -5.744 -4.096 1.00 0.00 H new ATOM 0 HA ARG A 70 5.678 -7.664 -3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.265 -5.224 -5.668 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.608 -6.342 -5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.942 -7.659 -5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.198 -6.590 -7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.483 -7.794 -7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.888 -8.991 -6.327 1.00 0.00 H new ATOM 0 HE ARG A 70 3.906 -8.517 -8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.022 -10.106 -7.806 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.779 -11.318 -9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.591 -10.087 -10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.832 -11.307 -10.326 1.00 0.00 H new ATOM 921 N ARG A 71 6.493 -6.114 -1.939 1.00 0.00 N ATOM 922 CA ARG A 71 7.341 -5.361 -1.031 1.00 0.00 C ATOM 923 C ARG A 71 8.614 -4.905 -1.748 1.00 0.00 C ATOM 924 O ARG A 71 9.150 -3.839 -1.450 1.00 0.00 O ATOM 925 CB ARG A 71 7.726 -6.202 0.189 1.00 0.00 C ATOM 926 CG ARG A 71 8.414 -5.343 1.253 1.00 0.00 C ATOM 927 CD ARG A 71 8.060 -5.828 2.659 1.00 0.00 C ATOM 928 NE ARG A 71 8.089 -7.307 2.711 1.00 0.00 N ATOM 929 CZ ARG A 71 8.257 -8.017 3.834 1.00 0.00 C ATOM 930 NH1 ARG A 71 8.409 -7.388 5.008 1.00 0.00 N ATOM 931 NH2 ARG A 71 8.271 -9.355 3.786 1.00 0.00 N ATOM 0 H ARG A 71 6.056 -6.939 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 71 6.776 -4.491 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.835 -6.666 0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.391 -7.010 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.494 -5.380 1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.112 -4.302 1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.765 -5.417 3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.070 -5.466 2.938 1.00 0.00 H new ATOM 0 HE ARG A 71 7.974 -7.818 1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.397 -6.369 5.046 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.537 -7.929 5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.154 -9.835 2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.399 -9.895 4.642 1.00 0.00 H new ATOM 945 N SER A 72 9.059 -5.734 -2.680 1.00 0.00 N ATOM 946 CA SER A 72 10.257 -5.427 -3.444 1.00 0.00 C ATOM 947 C SER A 72 9.882 -4.727 -4.750 1.00 0.00 C ATOM 948 O SER A 72 9.100 -5.256 -5.540 1.00 0.00 O ATOM 949 CB SER A 72 11.062 -6.695 -3.733 1.00 0.00 C ATOM 950 OG SER A 72 11.487 -7.345 -2.538 1.00 0.00 O ATOM 0 H SER A 72 8.612 -6.618 -2.924 1.00 0.00 H new ATOM 0 HA SER A 72 10.880 -4.759 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.455 -7.382 -4.323 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.933 -6.441 -4.336 1.00 0.00 H new ATOM 0 HG SER A 72 12.333 -6.954 -2.236 1.00 0.00 H new ATOM 956 N PHE A 73 10.453 -3.547 -4.937 1.00 0.00 N ATOM 957 CA PHE A 73 10.188 -2.768 -6.135 1.00 0.00 C ATOM 958 C PHE A 73 10.854 -1.393 -6.053 1.00 0.00 C ATOM 959 O PHE A 73 11.504 -1.073 -5.060 1.00 0.00 O ATOM 960 CB PHE A 73 8.671 -2.582 -6.222 1.00 0.00 C ATOM 961 CG PHE A 73 8.099 -2.775 -7.628 1.00 0.00 C ATOM 962 CD1 PHE A 73 8.071 -4.015 -8.185 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.621 -1.707 -8.320 1.00 0.00 C ATOM 964 CE1 PHE A 73 7.540 -4.196 -9.489 1.00 0.00 C ATOM 965 CE2 PHE A 73 7.091 -1.887 -9.625 1.00 0.00 C ATOM 966 CZ PHE A 73 7.061 -3.127 -10.182 1.00 0.00 C ATOM 0 H PHE A 73 11.099 -3.111 -4.279 1.00 0.00 H new ATOM 0 HA PHE A 73 10.586 -3.284 -7.009 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.190 -3.288 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.417 -1.581 -5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.453 -4.863 -7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.644 -0.722 -7.877 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.516 -5.181 -9.931 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.712 -1.039 -10.175 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.657 -3.264 -11.174 1.00 0.00 H new ATOM 976 N GLU A 74 10.668 -0.617 -7.112 1.00 0.00 N ATOM 977 CA GLU A 74 11.242 0.716 -7.173 1.00 0.00 C ATOM 978 C GLU A 74 10.315 1.725 -6.494 1.00 0.00 C ATOM 979 O GLU A 74 9.227 2.010 -6.998 1.00 0.00 O ATOM 980 CB GLU A 74 11.533 1.123 -8.619 1.00 0.00 C ATOM 981 CG GLU A 74 12.273 2.460 -8.674 1.00 0.00 C ATOM 982 CD GLU A 74 13.789 2.247 -8.693 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.459 2.998 -9.435 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.243 1.338 -7.965 1.00 0.00 O ATOM 0 H GLU A 74 10.128 -0.887 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 74 12.191 0.706 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.131 0.352 -9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.598 1.198 -9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.968 3.012 -9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.998 3.068 -7.812 1.00 0.00 H new ATOM 992 N GLY A 75 10.777 2.239 -5.363 1.00 0.00 N ATOM 993 CA GLY A 75 10.000 3.211 -4.612 1.00 0.00 C ATOM 994 C GLY A 75 10.158 4.614 -5.202 1.00 0.00 C ATOM 995 O GLY A 75 11.177 4.920 -5.819 1.00 0.00 O ATOM 0 H GLY A 75 11.678 2.001 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.948 2.926 -4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.322 3.212 -3.571 1.00 0.00 H new ATOM 999 N PHE A 76 9.135 5.427 -4.992 1.00 0.00 N ATOM 1000 CA PHE A 76 9.147 6.790 -5.496 1.00 0.00 C ATOM 1001 C PHE A 76 8.815 7.788 -4.386 1.00 0.00 C ATOM 1002 O PHE A 76 7.794 7.657 -3.713 1.00 0.00 O ATOM 1003 CB PHE A 76 8.072 6.877 -6.580 1.00 0.00 C ATOM 1004 CG PHE A 76 8.491 7.681 -7.814 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.535 9.039 -7.757 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.823 7.037 -8.965 1.00 0.00 C ATOM 1007 CE1 PHE A 76 8.925 9.785 -8.899 1.00 0.00 C ATOM 1008 CE2 PHE A 76 9.213 7.783 -10.107 1.00 0.00 C ATOM 1009 CZ PHE A 76 9.256 9.141 -10.051 1.00 0.00 C ATOM 0 H PHE A 76 8.292 5.169 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 76 10.136 7.033 -5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.803 5.868 -6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.176 7.328 -6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.273 9.550 -6.842 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.790 5.958 -9.010 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.959 10.864 -8.854 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.476 7.272 -11.021 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.553 9.708 -10.921 1.00 0.00 H new ATOM 1019 N LEU A 77 9.697 8.764 -4.227 1.00 0.00 N ATOM 1020 CA LEU A 77 9.513 9.785 -3.208 1.00 0.00 C ATOM 1021 C LEU A 77 8.262 10.604 -3.536 1.00 0.00 C ATOM 1022 O LEU A 77 8.001 10.905 -4.700 1.00 0.00 O ATOM 1023 CB LEU A 77 10.779 10.629 -3.060 1.00 0.00 C ATOM 1024 CG LEU A 77 12.105 9.880 -3.203 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.279 10.751 -2.748 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.063 8.544 -2.457 1.00 0.00 C ATOM 0 H LEU A 77 10.543 8.870 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 77 9.349 9.326 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.751 11.424 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.759 11.109 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 77 12.258 9.657 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.210 10.195 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.320 11.654 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.144 11.026 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.018 8.031 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.876 8.724 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.265 7.924 -2.866 1.00 0.00 H new ATOM 1038 N PHE A 78 7.523 10.939 -2.490 1.00 0.00 N ATOM 1039 CA PHE A 78 6.305 11.718 -2.651 1.00 0.00 C ATOM 1040 C PHE A 78 6.627 13.158 -3.054 1.00 0.00 C ATOM 1041 O PHE A 78 5.819 13.820 -3.704 1.00 0.00 O ATOM 1042 CB PHE A 78 5.597 11.725 -1.295 1.00 0.00 C ATOM 1043 CG PHE A 78 6.121 12.786 -0.325 1.00 0.00 C ATOM 1044 CD1 PHE A 78 5.704 14.077 -0.437 1.00 0.00 C ATOM 1045 CD2 PHE A 78 7.004 12.439 0.650 1.00 0.00 C ATOM 1046 CE1 PHE A 78 6.190 15.060 0.464 1.00 0.00 C ATOM 1047 CE2 PHE A 78 7.491 13.424 1.550 1.00 0.00 C ATOM 1048 CZ PHE A 78 7.074 14.713 1.439 1.00 0.00 C ATOM 0 H PHE A 78 7.743 10.686 -1.527 1.00 0.00 H new ATOM 0 HA PHE A 78 5.682 11.281 -3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.531 11.888 -1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.704 10.742 -0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.004 14.353 -1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.335 11.415 0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.858 16.084 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.193 13.149 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.444 15.461 2.124 1.00 0.00 H new ATOM 1058 N ASP A 79 7.808 13.602 -2.652 1.00 0.00 N ATOM 1059 CA ASP A 79 8.245 14.954 -2.963 1.00 0.00 C ATOM 1060 C ASP A 79 8.162 15.177 -4.473 1.00 0.00 C ATOM 1061 O ASP A 79 7.580 16.158 -4.929 1.00 0.00 O ATOM 1062 CB ASP A 79 9.697 15.176 -2.529 1.00 0.00 C ATOM 1063 CG ASP A 79 10.168 16.631 -2.574 1.00 0.00 C ATOM 1064 OD1 ASP A 79 11.402 16.829 -2.526 1.00 0.00 O ATOM 1065 OD2 ASP A 79 9.286 17.512 -2.660 1.00 0.00 O ATOM 0 H ASP A 79 8.476 13.051 -2.114 1.00 0.00 H new ATOM 0 HA ASP A 79 7.599 15.650 -2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.818 14.801 -1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.347 14.579 -3.168 1.00 0.00 H new ATOM 1071 N GLY A 80 8.753 14.248 -5.210 1.00 0.00 N ATOM 1072 CA GLY A 80 8.755 14.331 -6.662 1.00 0.00 C ATOM 1073 C GLY A 80 9.833 13.427 -7.262 1.00 0.00 C ATOM 1074 O GLY A 80 9.702 12.964 -8.393 1.00 0.00 O ATOM 0 H GLY A 80 9.234 13.433 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.777 14.042 -7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.927 15.362 -6.970 1.00 0.00 H new ATOM 1078 N THR A 81 10.877 13.201 -6.476 1.00 0.00 N ATOM 1079 CA THR A 81 11.977 12.361 -6.917 1.00 0.00 C ATOM 1080 C THR A 81 11.670 10.890 -6.634 1.00 0.00 C ATOM 1081 O THR A 81 10.764 10.577 -5.864 1.00 0.00 O ATOM 1082 CB THR A 81 13.253 12.857 -6.232 1.00 0.00 C ATOM 1083 OG1 THR A 81 13.532 14.099 -6.874 1.00 0.00 O ATOM 1084 CG2 THR A 81 14.468 11.988 -6.557 1.00 0.00 C ATOM 0 H THR A 81 10.983 13.585 -5.537 1.00 0.00 H new ATOM 0 HA THR A 81 12.120 12.430 -7.995 1.00 0.00 H new ATOM 0 HB THR A 81 13.100 12.878 -5.153 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.344 14.491 -6.489 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.346 12.384 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.284 10.966 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.642 11.993 -7.633 1.00 0.00 H new ATOM 1092 N ARG A 82 12.441 10.025 -7.277 1.00 0.00 N ATOM 1093 CA ARG A 82 12.262 8.592 -7.106 1.00 0.00 C ATOM 1094 C ARG A 82 13.487 7.982 -6.423 1.00 0.00 C ATOM 1095 O ARG A 82 14.612 8.429 -6.643 1.00 0.00 O ATOM 1096 CB ARG A 82 12.041 7.901 -8.453 1.00 0.00 C ATOM 1097 CG ARG A 82 13.282 8.019 -9.341 1.00 0.00 C ATOM 1098 CD ARG A 82 13.124 7.188 -10.616 1.00 0.00 C ATOM 1099 NE ARG A 82 14.397 7.173 -11.371 1.00 0.00 N ATOM 1100 CZ ARG A 82 14.527 6.694 -12.614 1.00 0.00 C ATOM 1101 NH1 ARG A 82 13.463 6.185 -13.251 1.00 0.00 N ATOM 1102 NH2 ARG A 82 15.721 6.723 -13.222 1.00 0.00 N ATOM 0 H ARG A 82 13.191 10.288 -7.917 1.00 0.00 H new ATOM 0 HA ARG A 82 11.381 8.440 -6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.804 6.849 -8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.184 8.347 -8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.449 9.064 -9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.161 7.684 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.830 6.170 -10.362 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.329 7.604 -11.235 1.00 0.00 H new ATOM 0 HE ARG A 82 15.227 7.551 -10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.554 6.163 -12.788 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.562 5.820 -14.198 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.531 7.110 -12.737 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.820 6.358 -14.169 1.00 0.00 H new ATOM 1116 N TRP A 83 13.228 6.972 -5.606 1.00 0.00 N ATOM 1117 CA TRP A 83 14.295 6.295 -4.890 1.00 0.00 C ATOM 1118 C TRP A 83 14.539 4.947 -5.568 1.00 0.00 C ATOM 1119 O TRP A 83 15.345 4.848 -6.491 1.00 0.00 O ATOM 1120 CB TRP A 83 13.960 6.165 -3.402 1.00 0.00 C ATOM 1121 CG TRP A 83 14.917 5.258 -2.627 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.702 4.009 -2.198 1.00 0.00 C ATOM 1123 CD2 TRP A 83 16.258 5.587 -2.199 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.800 3.507 -1.528 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.776 4.497 -1.530 1.00 0.00 C ATOM 1126 CE3 TRP A 83 17.006 6.764 -2.376 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 18.065 4.476 -0.984 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 18.290 6.728 -1.821 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.827 5.639 -1.144 1.00 0.00 C ATOM 0 H TRP A 83 12.294 6.606 -5.424 1.00 0.00 H new ATOM 0 HA TRP A 83 15.216 6.876 -4.931 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.969 7.157 -2.950 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.946 5.778 -3.301 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.784 3.462 -2.356 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.880 2.581 -1.109 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.620 7.627 -2.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.450 3.609 -0.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.907 7.608 -1.926 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.828 5.690 -0.743 1.00 0.00 H new ATOM 1140 N GLY A 84 13.830 3.939 -5.080 1.00 0.00 N ATOM 1141 CA GLY A 84 13.960 2.599 -5.628 1.00 0.00 C ATOM 1142 C GLY A 84 13.849 1.544 -4.525 1.00 0.00 C ATOM 1143 O GLY A 84 12.880 0.788 -4.480 1.00 0.00 O ATOM 0 H GLY A 84 13.164 4.023 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.185 2.431 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.920 2.501 -6.135 1.00 0.00 H new ATOM 1147 N THR A 85 14.856 1.524 -3.665 1.00 0.00 N ATOM 1148 CA THR A 85 14.883 0.574 -2.565 1.00 0.00 C ATOM 1149 C THR A 85 15.056 -0.850 -3.096 1.00 0.00 C ATOM 1150 O THR A 85 16.024 -1.529 -2.757 1.00 0.00 O ATOM 1151 CB THR A 85 13.607 0.764 -1.744 1.00 0.00 C ATOM 1152 OG1 THR A 85 13.905 1.867 -0.891 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.354 -0.395 -0.778 1.00 0.00 C ATOM 0 H THR A 85 15.660 2.150 -3.707 1.00 0.00 H new ATOM 0 HA THR A 85 15.737 0.751 -1.911 1.00 0.00 H new ATOM 0 HB THR A 85 12.755 0.869 -2.416 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.415 2.538 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.436 -0.210 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.255 -1.323 -1.341 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.190 -0.479 -0.084 1.00 0.00 H new ATOM 1161 N VAL A 86 14.104 -1.260 -3.921 1.00 0.00 N ATOM 1162 CA VAL A 86 14.139 -2.591 -4.503 1.00 0.00 C ATOM 1163 C VAL A 86 13.516 -3.587 -3.524 1.00 0.00 C ATOM 1164 O VAL A 86 12.694 -4.416 -3.916 1.00 0.00 O ATOM 1165 CB VAL A 86 15.575 -2.954 -4.892 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.593 -4.088 -5.919 1.00 0.00 C ATOM 1167 CG2 VAL A 86 16.329 -1.729 -5.411 1.00 0.00 C ATOM 0 H VAL A 86 13.303 -0.694 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 86 13.549 -2.623 -5.419 1.00 0.00 H new ATOM 0 HB VAL A 86 16.087 -3.305 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.624 -4.327 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 86 15.112 -4.970 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.056 -3.776 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.346 -2.015 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 86 15.819 -1.333 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.360 -0.965 -4.634 1.00 0.00 H new ATOM 1177 N ASP A 87 13.927 -3.474 -2.270 1.00 0.00 N ATOM 1178 CA ASP A 87 13.417 -4.354 -1.233 1.00 0.00 C ATOM 1179 C ASP A 87 12.959 -3.514 -0.037 1.00 0.00 C ATOM 1180 O ASP A 87 13.785 -2.993 0.711 1.00 0.00 O ATOM 1181 CB ASP A 87 14.502 -5.317 -0.746 1.00 0.00 C ATOM 1182 CG ASP A 87 13.984 -6.622 -0.139 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.410 -6.931 0.995 1.00 0.00 O ATOM 1184 OD2 ASP A 87 13.170 -7.282 -0.821 1.00 0.00 O ATOM 0 H ASP A 87 14.608 -2.786 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 87 12.589 -4.925 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.155 -5.558 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.113 -4.806 -0.002 1.00 0.00 H new ATOM 1190 N CYS A 88 11.647 -3.411 0.105 1.00 0.00 N ATOM 1191 CA CYS A 88 11.070 -2.646 1.197 1.00 0.00 C ATOM 1192 C CYS A 88 10.857 -3.587 2.383 1.00 0.00 C ATOM 1193 O CYS A 88 9.822 -3.528 3.048 1.00 0.00 O ATOM 1194 CB CYS A 88 9.772 -1.953 0.777 1.00 0.00 C ATOM 1195 SG CYS A 88 8.959 -0.981 2.096 1.00 0.00 S ATOM 0 H CYS A 88 10.966 -3.845 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 88 11.754 -1.848 1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.985 -1.292 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.073 -2.709 0.419 1.00 0.00 H new ATOM 1200 N THR A 89 11.851 -4.431 2.614 1.00 0.00 N ATOM 1201 CA THR A 89 11.784 -5.383 3.710 1.00 0.00 C ATOM 1202 C THR A 89 12.313 -4.749 4.998 1.00 0.00 C ATOM 1203 O THR A 89 12.058 -5.250 6.091 1.00 0.00 O ATOM 1204 CB THR A 89 12.551 -6.639 3.291 1.00 0.00 C ATOM 1205 OG1 THR A 89 11.817 -7.138 2.177 1.00 0.00 O ATOM 1206 CG2 THR A 89 12.454 -7.757 4.332 1.00 0.00 C ATOM 0 H THR A 89 12.707 -4.476 2.061 1.00 0.00 H new ATOM 0 HA THR A 89 10.754 -5.670 3.925 1.00 0.00 H new ATOM 0 HB THR A 89 13.598 -6.387 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.246 -7.952 1.841 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.015 -8.625 3.987 1.00 0.00 H new ATOM 0 HG22 THR A 89 12.869 -7.410 5.278 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.409 -8.033 4.473 1.00 0.00 H new ATOM 1214 N THR A 90 13.045 -3.657 4.827 1.00 0.00 N ATOM 1215 CA THR A 90 13.611 -2.950 5.961 1.00 0.00 C ATOM 1216 C THR A 90 12.618 -1.918 6.498 1.00 0.00 C ATOM 1217 O THR A 90 12.323 -1.895 7.694 1.00 0.00 O ATOM 1218 CB THR A 90 14.943 -2.340 5.521 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.876 -3.411 5.651 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.455 -1.281 6.501 1.00 0.00 C ATOM 0 H THR A 90 13.258 -3.245 3.918 1.00 0.00 H new ATOM 0 HA THR A 90 13.806 -3.628 6.792 1.00 0.00 H new ATOM 0 HB THR A 90 14.829 -1.896 4.532 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.767 -3.103 5.384 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.403 -0.880 6.141 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.726 -0.474 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.601 -1.733 7.482 1.00 0.00 H new ATOM 1228 N ALA A 91 12.128 -1.086 5.589 1.00 0.00 N ATOM 1229 CA ALA A 91 11.174 -0.056 5.956 1.00 0.00 C ATOM 1230 C ALA A 91 9.754 -0.618 5.852 1.00 0.00 C ATOM 1231 O ALA A 91 9.388 -1.200 4.834 1.00 0.00 O ATOM 1232 CB ALA A 91 11.380 1.171 5.067 1.00 0.00 C ATOM 0 H ALA A 91 12.375 -1.106 4.600 1.00 0.00 H new ATOM 0 HA ALA A 91 11.329 0.258 6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.663 1.945 5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.393 1.551 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.231 0.893 4.024 1.00 0.00 H new ATOM 1238 N ALA A 92 8.996 -0.423 6.920 1.00 0.00 N ATOM 1239 CA ALA A 92 7.623 -0.904 6.961 1.00 0.00 C ATOM 1240 C ALA A 92 6.815 -0.216 5.859 1.00 0.00 C ATOM 1241 O ALA A 92 6.616 0.995 5.894 1.00 0.00 O ATOM 1242 CB ALA A 92 7.038 -0.659 8.353 1.00 0.00 C ATOM 0 H ALA A 92 9.304 0.061 7.763 1.00 0.00 H new ATOM 0 HA ALA A 92 7.586 -1.978 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.010 -1.019 8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.632 -1.192 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.055 0.409 8.572 1.00 0.00 H new ATOM 1248 N CYS A 93 6.369 -1.023 4.908 1.00 0.00 N ATOM 1249 CA CYS A 93 5.585 -0.508 3.797 1.00 0.00 C ATOM 1250 C CYS A 93 4.107 -0.548 4.193 1.00 0.00 C ATOM 1251 O CYS A 93 3.598 -1.592 4.598 1.00 0.00 O ATOM 1252 CB CYS A 93 5.852 -1.287 2.507 1.00 0.00 C ATOM 1253 SG CYS A 93 7.394 -2.273 2.511 1.00 0.00 S ATOM 0 H CYS A 93 6.535 -2.029 4.883 1.00 0.00 H new ATOM 0 HA CYS A 93 5.877 0.521 3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.011 -1.955 2.322 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.889 -0.583 1.675 1.00 0.00 H new ATOM 1258 N GLN A 94 3.460 0.599 4.060 1.00 0.00 N ATOM 1259 CA GLN A 94 2.051 0.707 4.399 1.00 0.00 C ATOM 1260 C GLN A 94 1.190 0.560 3.142 1.00 0.00 C ATOM 1261 O GLN A 94 1.192 1.435 2.278 1.00 0.00 O ATOM 1262 CB GLN A 94 1.760 2.030 5.110 1.00 0.00 C ATOM 1263 CG GLN A 94 2.446 2.081 6.476 1.00 0.00 C ATOM 1264 CD GLN A 94 2.813 3.517 6.854 1.00 0.00 C ATOM 1265 OE1 GLN A 94 2.852 4.413 6.024 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.079 3.687 8.146 1.00 0.00 N ATOM 0 H GLN A 94 3.885 1.463 3.722 1.00 0.00 H new ATOM 0 HA GLN A 94 1.799 -0.101 5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.105 2.861 4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.684 2.151 5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.786 1.659 7.234 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.345 1.465 6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.028 2.894 8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.334 4.610 8.497 1.00 0.00 H new ATOM 1275 N VAL A 95 0.478 -0.555 3.081 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.385 -0.829 1.944 1.00 0.00 C ATOM 1277 C VAL A 95 -1.776 -0.248 2.213 1.00 0.00 C ATOM 1278 O VAL A 95 -2.422 -0.607 3.198 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.410 -2.332 1.656 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.213 -2.634 0.388 1.00 0.00 C ATOM 1281 CG2 VAL A 95 1.008 -2.894 1.554 1.00 0.00 C ATOM 0 H VAL A 95 0.481 -1.279 3.799 1.00 0.00 H new ATOM 0 HA VAL A 95 0.001 -0.346 1.046 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.906 -2.825 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.215 -3.709 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.238 -2.285 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.758 -2.123 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.962 -3.964 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.541 -2.392 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.534 -2.727 2.494 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.196 0.636 1.322 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.497 1.270 1.450 1.00 0.00 C ATOM 1293 C GLY A 96 -3.901 1.965 0.149 1.00 0.00 C ATOM 1294 O GLY A 96 -3.087 2.101 -0.764 1.00 0.00 O ATOM 0 H GLY A 96 -1.658 0.929 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.245 0.522 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.473 1.997 2.262 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.155 2.385 0.105 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.677 3.063 -1.072 1.00 0.00 C ATOM 1300 C LEU A 97 -5.837 4.553 -0.767 1.00 0.00 C ATOM 1301 O LEU A 97 -6.497 4.924 0.203 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.965 2.392 -1.550 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.994 2.063 -0.463 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -8.648 3.337 0.073 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -9.029 1.061 -0.975 1.00 0.00 C ATOM 0 H LEU A 97 -5.827 2.270 0.864 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.975 2.980 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.438 3.042 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.701 1.468 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.473 1.591 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.374 3.077 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.884 3.987 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.153 3.857 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.748 0.844 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.551 1.483 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.528 0.140 -1.272 1.00 0.00 H new ATOM 1317 N SER A 98 -5.220 5.367 -1.610 1.00 0.00 N ATOM 1318 CA SER A 98 -5.285 6.809 -1.443 1.00 0.00 C ATOM 1319 C SER A 98 -6.327 7.401 -2.396 1.00 0.00 C ATOM 1320 O SER A 98 -6.780 6.725 -3.319 1.00 0.00 O ATOM 1321 CB SER A 98 -3.919 7.454 -1.683 1.00 0.00 C ATOM 1322 OG SER A 98 -3.449 7.230 -3.011 1.00 0.00 O ATOM 0 H SER A 98 -4.672 5.055 -2.412 1.00 0.00 H new ATOM 0 HA SER A 98 -5.581 7.020 -0.415 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.987 8.526 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.198 7.053 -0.971 1.00 0.00 H new ATOM 0 HG SER A 98 -2.764 7.895 -3.232 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.674 8.653 -2.139 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.654 9.340 -2.962 1.00 0.00 C ATOM 1330 C ASP A 99 -6.983 9.817 -4.252 1.00 0.00 C ATOM 1331 O ASP A 99 -5.761 9.923 -4.319 1.00 0.00 O ATOM 1332 CB ASP A 99 -8.215 10.568 -2.239 1.00 0.00 C ATOM 1333 CG ASP A 99 -8.074 10.541 -0.716 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -6.950 10.251 -0.256 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -9.095 10.813 -0.048 1.00 0.00 O ATOM 0 H ASP A 99 -6.294 9.209 -1.373 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.465 8.644 -3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.712 11.457 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.271 10.668 -2.490 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.815 10.093 -5.246 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.320 10.556 -6.531 1.00 0.00 C ATOM 1343 C ALA A 100 -7.204 12.081 -6.510 1.00 0.00 C ATOM 1344 O ALA A 100 -7.042 12.710 -7.553 1.00 0.00 O ATOM 1345 CB ALA A 100 -8.240 10.057 -7.644 1.00 0.00 C ATOM 0 H ALA A 100 -8.829 10.005 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.326 10.153 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.867 10.405 -8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.263 8.967 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.247 10.442 -7.484 1.00 0.00 H new ATOM 1351 N ALA A 101 -7.293 12.631 -5.308 1.00 0.00 N ATOM 1352 CA ALA A 101 -7.200 14.072 -5.136 1.00 0.00 C ATOM 1353 C ALA A 101 -5.755 14.450 -4.803 1.00 0.00 C ATOM 1354 O ALA A 101 -5.115 15.185 -5.551 1.00 0.00 O ATOM 1355 CB ALA A 101 -8.186 14.521 -4.055 1.00 0.00 C ATOM 0 H ALA A 101 -7.428 12.106 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.470 14.587 -6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.117 15.601 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.200 14.256 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.944 14.027 -3.114 1.00 0.00 H new ATOM 1361 N GLY A 102 -5.287 13.932 -3.677 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.929 14.206 -3.236 1.00 0.00 C ATOM 1363 C GLY A 102 -3.812 14.078 -1.715 1.00 0.00 C ATOM 1364 O GLY A 102 -3.284 14.969 -1.053 1.00 0.00 O ATOM 0 H GLY A 102 -5.823 13.325 -3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.239 13.513 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.638 15.210 -3.544 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.312 12.961 -1.208 1.00 0.00 N ATOM 1369 CA ASN A 103 -4.270 12.706 0.222 1.00 0.00 C ATOM 1370 C ASN A 103 -3.928 11.233 0.463 1.00 0.00 C ATOM 1371 O ASN A 103 -4.279 10.372 -0.340 1.00 0.00 O ATOM 1372 CB ASN A 103 -5.624 12.989 0.874 1.00 0.00 C ATOM 1373 CG ASN A 103 -6.165 14.355 0.445 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -5.809 15.389 0.983 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -7.041 14.300 -0.554 1.00 0.00 N ATOM 0 H ASN A 103 -4.748 12.223 -1.761 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.517 13.362 0.658 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.334 12.210 0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.523 12.958 1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.458 15.158 -0.914 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.296 13.400 -0.960 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.245 10.991 1.572 1.00 0.00 N ATOM 1383 CA GLY A 104 -2.852 9.637 1.927 1.00 0.00 C ATOM 1384 C GLY A 104 -3.479 9.217 3.260 1.00 0.00 C ATOM 1385 O GLY A 104 -3.106 9.729 4.315 1.00 0.00 O ATOM 0 H GLY A 104 -2.954 11.708 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.161 8.947 1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.766 9.576 1.996 1.00 0.00 H new ATOM 1389 N PRO A 105 -4.441 8.264 3.163 1.00 0.00 N ATOM 1390 CA PRO A 105 -5.125 7.768 4.347 1.00 0.00 C ATOM 1391 C PRO A 105 -4.223 6.825 5.146 1.00 0.00 C ATOM 1392 O PRO A 105 -3.007 6.820 4.963 1.00 0.00 O ATOM 1393 CB PRO A 105 -6.379 7.088 3.822 1.00 0.00 C ATOM 1394 CG PRO A 105 -6.123 6.821 2.347 1.00 0.00 C ATOM 1395 CD PRO A 105 -4.907 7.635 1.931 1.00 0.00 C ATOM 0 HA PRO A 105 -5.383 8.562 5.047 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.574 6.160 4.359 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.254 7.724 3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.948 5.759 2.176 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.992 7.101 1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.136 7.000 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.168 8.381 1.180 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.853 6.047 6.012 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.123 5.101 6.838 1.00 0.00 C ATOM 1405 C GLU A 106 -3.818 3.829 6.046 1.00 0.00 C ATOM 1406 O GLU A 106 -4.657 3.350 5.285 1.00 0.00 O ATOM 1407 CB GLU A 106 -4.898 4.778 8.117 1.00 0.00 C ATOM 1408 CG GLU A 106 -3.965 4.240 9.203 1.00 0.00 C ATOM 1409 CD GLU A 106 -4.044 5.097 10.468 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -2.975 5.589 10.889 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -5.172 5.242 10.986 1.00 0.00 O ATOM 0 H GLU A 106 -5.862 6.052 6.160 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.178 5.558 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.402 5.675 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.673 4.042 7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.233 3.210 9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.940 4.226 8.833 1.00 0.00 H new ATOM 1419 N GLY A 107 -2.614 3.317 6.252 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.188 2.108 5.566 1.00 0.00 C ATOM 1421 C GLY A 107 -1.950 0.969 6.558 1.00 0.00 C ATOM 1422 O GLY A 107 -1.901 1.193 7.766 1.00 0.00 O ATOM 0 H GLY A 107 -1.920 3.716 6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.946 1.811 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.273 2.306 5.008 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.808 -0.230 6.011 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.578 -1.406 6.833 1.00 0.00 C ATOM 1428 C VAL A 108 -0.105 -1.810 6.736 1.00 0.00 C ATOM 1429 O VAL A 108 0.396 -2.074 5.645 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.535 -2.526 6.423 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -1.988 -3.304 5.224 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.820 -3.462 7.600 1.00 0.00 C ATOM 0 H VAL A 108 -1.848 -0.412 5.008 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.786 -1.188 7.880 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.477 -2.068 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.688 -4.094 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.860 -2.627 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.026 -3.745 5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.503 -4.249 7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.887 -3.908 7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.273 -2.896 8.414 1.00 0.00 H new ATOM 1442 N ALA A 109 0.542 -1.846 7.889 1.00 0.00 N ATOM 1443 CA ALA A 109 1.946 -2.216 7.945 1.00 0.00 C ATOM 1444 C ALA A 109 2.119 -3.637 7.408 1.00 0.00 C ATOM 1445 O ALA A 109 1.976 -4.607 8.150 1.00 0.00 O ATOM 1446 CB ALA A 109 2.454 -2.070 9.383 1.00 0.00 C ATOM 0 H ALA A 109 0.122 -1.626 8.792 1.00 0.00 H new ATOM 0 HA ALA A 109 2.542 -1.554 7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.507 -2.347 9.427 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.337 -1.036 9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.879 -2.723 10.040 1.00 0.00 H new ATOM 1452 N ILE A 110 2.423 -3.715 6.120 1.00 0.00 N ATOM 1453 CA ILE A 110 2.618 -5.003 5.474 1.00 0.00 C ATOM 1454 C ILE A 110 4.034 -5.506 5.762 1.00 0.00 C ATOM 1455 O ILE A 110 4.992 -4.735 5.716 1.00 0.00 O ATOM 1456 CB ILE A 110 2.291 -4.908 3.983 1.00 0.00 C ATOM 1457 CG1 ILE A 110 1.229 -5.937 3.590 1.00 0.00 C ATOM 1458 CG2 ILE A 110 3.557 -5.034 3.135 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.176 -5.333 3.661 1.00 0.00 C ATOM 0 H ILE A 110 2.539 -2.908 5.507 1.00 0.00 H new ATOM 0 HA ILE A 110 1.929 -5.742 5.883 1.00 0.00 H new ATOM 0 HB ILE A 110 1.871 -3.922 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.423 -6.297 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.291 -6.800 4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.296 -4.963 2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.249 -4.232 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.030 -5.997 3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.911 -6.086 3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.376 -4.996 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.243 -4.486 2.979 1.00 0.00 H new ATOM 1471 N SER A 111 4.122 -6.794 6.054 1.00 0.00 N ATOM 1472 CA SER A 111 5.404 -7.409 6.349 1.00 0.00 C ATOM 1473 C SER A 111 5.217 -8.568 7.333 1.00 0.00 C ATOM 1474 O SER A 111 5.212 -9.730 6.932 1.00 0.00 O ATOM 1475 CB SER A 111 6.388 -6.384 6.917 1.00 0.00 C ATOM 1476 OG SER A 111 5.758 -5.487 7.827 1.00 0.00 O ATOM 0 H SER A 111 3.325 -7.430 6.093 1.00 0.00 H new ATOM 0 HA SER A 111 5.819 -7.796 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.201 -6.904 7.424 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.834 -5.817 6.099 1.00 0.00 H new ATOM 0 HG SER A 111 5.571 -4.639 7.373 1.00 0.00 H new ATOM 1482 N PHE A 112 5.066 -8.207 8.597 1.00 0.00 N ATOM 1483 CA PHE A 112 4.878 -9.202 9.641 1.00 0.00 C ATOM 1484 C PHE A 112 4.121 -8.611 10.831 1.00 0.00 C ATOM 1485 O PHE A 112 4.562 -7.629 11.427 1.00 0.00 O ATOM 1486 CB PHE A 112 6.273 -9.635 10.102 1.00 0.00 C ATOM 1487 CG PHE A 112 6.263 -10.632 11.263 1.00 0.00 C ATOM 1488 CD1 PHE A 112 5.976 -11.942 11.032 1.00 0.00 C ATOM 1489 CD2 PHE A 112 6.537 -10.206 12.525 1.00 0.00 C ATOM 1490 CE1 PHE A 112 5.967 -12.866 12.109 1.00 0.00 C ATOM 1491 CE2 PHE A 112 6.527 -11.132 13.602 1.00 0.00 C ATOM 1492 CZ PHE A 112 6.241 -12.443 13.372 1.00 0.00 C ATOM 0 H PHE A 112 5.070 -7.241 8.924 1.00 0.00 H new ATOM 0 HA PHE A 112 4.298 -10.041 9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.801 -10.080 9.259 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.837 -8.751 10.400 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.755 -12.278 10.030 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.762 -9.166 12.708 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.742 -13.906 11.925 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.747 -10.796 14.605 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.232 -13.146 14.192 1.00 0.00 H new ATOM 1502 N ASN A 113 2.994 -9.234 11.144 1.00 0.00 N ATOM 1503 CA ASN A 113 2.171 -8.782 12.253 1.00 0.00 C ATOM 1504 C ASN A 113 2.905 -9.046 13.567 1.00 0.00 C ATOM 1505 O ASN A 113 4.110 -8.817 13.668 1.00 0.00 O ATOM 1506 CB ASN A 113 0.841 -9.536 12.293 1.00 0.00 C ATOM 1507 CG ASN A 113 1.059 -11.014 12.625 1.00 0.00 C ATOM 1508 OD1 ASN A 113 2.173 -11.503 12.697 1.00 0.00 O ATOM 1509 ND2 ASN A 113 -0.066 -11.695 12.826 1.00 0.00 N ATOM 0 H ASN A 113 2.631 -10.049 10.649 1.00 0.00 H new ATOM 0 HA ASN A 113 1.978 -7.718 12.119 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.185 -9.085 13.038 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.339 -9.446 11.330 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.027 -12.688 13.056 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.968 -11.224 12.750 1.00 0.00 H new TER 1516 ASN A 113 HETATM 1517 C1 NCZ A 130 0.688 7.545 1.258 1.00 0.00 C HETATM 1518 C6 NCZ A 130 0.240 7.156 -0.009 1.00 0.00 C HETATM 1519 C5 NCZ A 130 -0.601 6.027 -0.112 1.00 0.00 C HETATM 1520 C7 NCZ A 130 -1.059 5.584 -1.347 1.00 0.00 C HETATM 1521 C8 NCZ A 130 -0.651 6.237 -2.493 1.00 0.00 C HETATM 1522 C9 NCZ A 130 0.192 7.362 -2.419 1.00 0.00 C HETATM 1523 C10 NCZ A 130 0.624 7.873 -1.163 1.00 0.00 C HETATM 1524 C11 NCZ A 130 1.085 9.240 -1.074 1.00 0.00 C HETATM 1525 O3 NCZ A 130 1.577 9.789 -2.059 1.00 0.00 O HETATM 1526 O4 NCZ A 130 1.049 10.045 0.154 1.00 0.00 O HETATM 1527 C12 NCZ A 130 1.305 11.485 0.057 1.00 0.00 C HETATM 1528 C13 NCZ A 130 2.124 12.001 1.244 1.00 0.00 C HETATM 1529 C14 NCZ A 130 1.293 12.510 2.162 1.00 0.00 C HETATM 1530 C15 NCZ A 130 -0.100 12.658 1.673 1.00 0.00 C HETATM 1531 C16 NCZ A 130 -0.018 12.256 0.187 1.00 0.00 C HETATM 1532 O6 NCZ A 130 -0.026 13.474 -0.610 1.00 0.00 O HETATM 1533 O5 NCZ A 130 3.022 13.025 0.806 1.00 0.00 O HETATM 1534 O2 NCZ A 130 0.549 7.967 -3.635 1.00 0.00 O HETATM 1535 C4 NCZ A 130 -0.977 5.377 1.039 1.00 0.00 C HETATM 1536 C3 NCZ A 130 -0.523 5.807 2.279 1.00 0.00 C HETATM 1537 C2 NCZ A 130 0.316 6.887 2.398 1.00 0.00 C HETATM 1538 O1 NCZ A 130 0.753 7.264 3.659 1.00 0.00 O HETATM 1539 C17 NCZ A 130 1.263 8.568 4.006 1.00 0.00 C HETATM 1540 C18 NCZ A 130 -1.899 4.197 1.024 1.00 0.00 C HETATM 0 H183 NCZ A 130 -2.855 4.488 0.588 1.00 0.00 H new HETATM 0 H182 NCZ A 130 -1.457 3.398 0.429 1.00 0.00 H new HETATM 0 H181 NCZ A 130 -2.057 3.846 2.044 1.00 0.00 H new HETATM 0 H173 NCZ A 130 2.145 8.786 3.404 1.00 0.00 H new HETATM 0 H172 NCZ A 130 0.498 9.321 3.815 1.00 0.00 H new HETATM 0 H171 NCZ A 130 1.532 8.584 5.062 1.00 0.00 H new HETATM 0 H8 NCZ A 130 -0.985 5.877 -3.466 1.00 0.00 H new HETATM 0 H7 NCZ A 130 -1.733 4.730 -1.410 1.00 0.00 H new HETATM 0 H6 NCZ A 130 -0.885 13.932 -0.499 1.00 0.00 H new HETATM 0 H5 NCZ A 130 3.877 12.622 0.547 1.00 0.00 H new HETATM 0 H3 NCZ A 130 -0.839 5.276 3.177 1.00 0.00 H new HETATM 0 H2 NCZ A 130 1.039 8.797 -3.456 1.00 0.00 H new HETATM 0 H16 NCZ A 130 -0.848 11.639 -0.156 1.00 0.00 H new HETATM 0 H15 NCZ A 130 -0.978 12.977 2.234 1.00 0.00 H new HETATM 0 H14 NCZ A 130 1.608 12.788 3.168 1.00 0.00 H new HETATM 0 H13 NCZ A 130 2.696 11.178 1.673 1.00 0.00 H new HETATM 0 H12 NCZ A 130 1.819 11.633 -0.893 1.00 0.00 H new HETATM 0 H1 NCZ A 130 1.357 8.402 1.339 1.00 0.00 H new