USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 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 72 TYR OH : rot 180:sc= 0.0258 USER MOD Set 1.2: A 77 LYS NZ :NH3+ -146:sc= -0.0221 (180deg=-0.424) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0581 USER MOD Single : A 17 SER OG : rot 81:sc= 0.879 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.109) USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.061 (180deg=-0.531) USER MOD Single : A 27 HIS : no HD1:sc= -0.0999 X(o=-0.1,f=-0.12) USER MOD Single : A 31 SER OG : rot 141:sc= 0.273 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -156:sc= -0.101 (180deg=-1.14) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.148 F(o=-1.7,f=-0.15) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.102 F(o=-0.63,f=-0.1) USER MOD Single : A 46 THR OG1 : rot -138:sc= 0.0998 USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= -1.24 (180deg=-4.7!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.602 F(o=-3.7!,f=-0.6) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -130:sc= -0.256 (180deg=-2.89!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= -0.108 (180deg=-0.488) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0641) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= -0.121 (180deg=-0.16) USER MOD Single : A 82 BME O1 : rot 180:sc=-0.00356 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 4.500 -10.354 8.104 1.00 0.00 N ATOM 2 CA ASN A 3 3.078 -10.821 8.058 1.00 0.00 C ATOM 3 C ASN A 3 2.117 -9.731 7.557 1.00 0.00 C ATOM 4 O ASN A 3 1.622 -8.943 8.338 1.00 0.00 O ATOM 5 CB ASN A 3 2.648 -11.299 9.478 1.00 0.00 C ATOM 6 CG ASN A 3 3.106 -12.750 9.685 1.00 0.00 C ATOM 7 OD1 ASN A 3 2.691 -13.643 8.973 1.00 0.00 O ATOM 8 ND2 ASN A 3 3.950 -13.037 10.635 1.00 0.00 N ATOM 0 HA ASN A 3 3.022 -11.646 7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.087 -10.655 10.240 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.566 -11.228 9.586 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.254 -14.001 10.773 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.307 -12.298 11.241 1.00 0.00 H new ATOM 15 N ALA A 4 1.894 -9.737 6.260 1.00 0.00 N ATOM 16 CA ALA A 4 0.985 -8.750 5.584 1.00 0.00 C ATOM 17 C ALA A 4 1.062 -7.339 6.152 1.00 0.00 C ATOM 18 O ALA A 4 0.315 -6.949 7.031 1.00 0.00 O ATOM 19 CB ALA A 4 -0.465 -9.284 5.673 1.00 0.00 C ATOM 0 H ALA A 4 2.320 -10.409 5.622 1.00 0.00 H new ATOM 0 HA ALA A 4 1.316 -8.661 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.142 -8.581 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.528 -10.251 5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.748 -9.396 6.720 1.00 0.00 H new ATOM 25 N PRO A 5 2.000 -6.607 5.601 1.00 0.00 N ATOM 26 CA PRO A 5 2.019 -5.126 5.684 1.00 0.00 C ATOM 27 C PRO A 5 0.709 -4.539 5.102 1.00 0.00 C ATOM 28 O PRO A 5 -0.252 -5.241 4.855 1.00 0.00 O ATOM 29 CB PRO A 5 3.324 -4.763 4.935 1.00 0.00 C ATOM 30 CG PRO A 5 4.203 -6.028 5.125 1.00 0.00 C ATOM 31 CD PRO A 5 3.181 -7.125 4.835 1.00 0.00 C ATOM 0 HA PRO A 5 2.036 -4.704 6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.139 -4.555 3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.797 -3.876 5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.046 -6.054 4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.613 -6.100 6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.972 -7.226 3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.509 -8.102 5.190 1.00 0.00 H new ATOM 39 N LYS A 6 0.724 -3.254 4.895 1.00 0.00 N ATOM 40 CA LYS A 6 -0.467 -2.516 4.343 1.00 0.00 C ATOM 41 C LYS A 6 -0.208 -1.908 2.965 1.00 0.00 C ATOM 42 O LYS A 6 0.912 -1.609 2.600 1.00 0.00 O ATOM 43 CB LYS A 6 -0.877 -1.351 5.265 1.00 0.00 C ATOM 44 CG LYS A 6 -1.409 -1.827 6.629 1.00 0.00 C ATOM 45 CD LYS A 6 -1.865 -0.560 7.396 1.00 0.00 C ATOM 46 CE LYS A 6 -2.491 -0.929 8.746 1.00 0.00 C ATOM 47 NZ LYS A 6 -2.932 0.316 9.442 1.00 0.00 N ATOM 0 H LYS A 6 1.530 -2.660 5.088 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.253 -3.268 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.018 -0.699 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.643 -0.754 4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.240 -2.521 6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.634 -2.357 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.012 0.100 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.587 -0.007 6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.340 -1.596 8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.768 -1.466 9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.357 0.069 10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.112 0.936 9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.635 0.811 8.856 1.00 0.00 H new ATOM 61 N ARG A 7 -1.287 -1.731 2.249 1.00 0.00 N ATOM 62 CA ARG A 7 -1.229 -1.153 0.875 1.00 0.00 C ATOM 63 C ARG A 7 -0.660 0.293 0.961 1.00 0.00 C ATOM 64 O ARG A 7 -1.339 1.162 1.468 1.00 0.00 O ATOM 65 CB ARG A 7 -2.663 -1.141 0.305 1.00 0.00 C ATOM 66 CG ARG A 7 -2.672 -0.803 -1.205 1.00 0.00 C ATOM 67 CD ARG A 7 -2.558 -2.104 -2.025 1.00 0.00 C ATOM 68 NE ARG A 7 -2.583 -1.741 -3.477 1.00 0.00 N ATOM 69 CZ ARG A 7 -1.638 -2.129 -4.292 1.00 0.00 C ATOM 70 NH1 ARG A 7 -0.398 -2.168 -3.888 1.00 0.00 N ATOM 71 NH2 ARG A 7 -1.977 -2.473 -5.505 1.00 0.00 N ATOM 0 H ARG A 7 -2.227 -1.968 2.567 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.583 -1.742 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.126 -2.115 0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.264 -0.410 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.590 -0.276 -1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.843 -0.136 -1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.635 -2.629 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.381 -2.778 -1.787 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.354 -1.179 -3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.164 -1.895 -2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.337 -2.471 -4.527 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.955 -2.434 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.264 -2.781 -6.166 1.00 0.00 H new ATOM 85 N PRO A 8 0.547 0.526 0.482 1.00 0.00 N ATOM 86 CA PRO A 8 1.280 1.817 0.692 1.00 0.00 C ATOM 87 C PRO A 8 0.543 3.060 0.128 1.00 0.00 C ATOM 88 O PRO A 8 -0.363 2.914 -0.669 1.00 0.00 O ATOM 89 CB PRO A 8 2.640 1.578 0.026 1.00 0.00 C ATOM 90 CG PRO A 8 2.293 0.550 -1.079 1.00 0.00 C ATOM 91 CD PRO A 8 1.360 -0.417 -0.343 1.00 0.00 C ATOM 0 HA PRO A 8 1.367 2.060 1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.056 2.496 -0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.374 1.186 0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.802 1.019 -1.932 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.182 0.047 -1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.744 -0.996 -1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.910 -1.130 0.271 1.00 0.00 H new ATOM 99 N PRO A 9 0.949 4.245 0.550 1.00 0.00 N ATOM 100 CA PRO A 9 0.386 5.542 0.061 1.00 0.00 C ATOM 101 C PRO A 9 0.656 5.797 -1.439 1.00 0.00 C ATOM 102 O PRO A 9 1.054 4.908 -2.166 1.00 0.00 O ATOM 103 CB PRO A 9 1.031 6.587 0.987 1.00 0.00 C ATOM 104 CG PRO A 9 2.399 5.949 1.288 1.00 0.00 C ATOM 105 CD PRO A 9 2.022 4.484 1.564 1.00 0.00 C ATOM 0 HA PRO A 9 -0.703 5.567 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.132 7.557 0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.446 6.745 1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.085 6.041 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.884 6.413 2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.869 3.812 1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.661 4.340 2.582 1.00 0.00 H new ATOM 113 N SER A 10 0.427 7.023 -1.838 1.00 0.00 N ATOM 114 CA SER A 10 0.627 7.457 -3.258 1.00 0.00 C ATOM 115 C SER A 10 1.798 8.444 -3.398 1.00 0.00 C ATOM 116 O SER A 10 2.655 8.273 -4.243 1.00 0.00 O ATOM 117 CB SER A 10 -0.689 8.115 -3.767 1.00 0.00 C ATOM 118 OG SER A 10 -0.994 9.165 -2.858 1.00 0.00 O ATOM 0 H SER A 10 0.099 7.765 -1.219 1.00 0.00 H new ATOM 0 HA SER A 10 0.873 6.580 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.563 8.502 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.498 7.386 -3.803 1.00 0.00 H new ATOM 0 HG SER A 10 -1.819 9.613 -3.140 1.00 0.00 H new ATOM 124 N ALA A 11 1.757 9.427 -2.538 1.00 0.00 N ATOM 125 CA ALA A 11 2.734 10.559 -2.414 1.00 0.00 C ATOM 126 C ALA A 11 1.826 11.708 -1.973 1.00 0.00 C ATOM 127 O ALA A 11 2.151 12.509 -1.117 1.00 0.00 O ATOM 128 CB ALA A 11 3.378 10.949 -3.751 1.00 0.00 C ATOM 0 H ALA A 11 1.008 9.494 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 11 3.560 10.308 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.074 11.773 -3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.916 10.093 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.603 11.258 -4.452 1.00 0.00 H new ATOM 134 N PHE A 12 0.676 11.736 -2.602 1.00 0.00 N ATOM 135 CA PHE A 12 -0.333 12.776 -2.292 1.00 0.00 C ATOM 136 C PHE A 12 -1.092 12.280 -1.091 1.00 0.00 C ATOM 137 O PHE A 12 -1.788 13.039 -0.471 1.00 0.00 O ATOM 138 CB PHE A 12 -1.216 12.977 -3.557 1.00 0.00 C ATOM 139 CG PHE A 12 -2.746 12.888 -3.571 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.548 13.517 -2.639 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.346 12.176 -4.585 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.919 13.431 -2.722 1.00 0.00 C ATOM 143 CE2 PHE A 12 -4.717 12.099 -4.666 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.508 12.722 -3.735 1.00 0.00 C ATOM 0 H PHE A 12 0.398 11.071 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 12 0.090 13.751 -2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.968 13.965 -3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.865 12.250 -4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.095 14.082 -1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.736 11.674 -5.322 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.534 13.925 -1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.175 11.543 -5.470 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.584 12.654 -3.800 1.00 0.00 H new ATOM 154 N PHE A 13 -0.941 11.026 -0.758 1.00 0.00 N ATOM 155 CA PHE A 13 -1.684 10.526 0.422 1.00 0.00 C ATOM 156 C PHE A 13 -1.168 11.292 1.648 1.00 0.00 C ATOM 157 O PHE A 13 -1.962 11.715 2.458 1.00 0.00 O ATOM 158 CB PHE A 13 -1.450 9.023 0.564 1.00 0.00 C ATOM 159 CG PHE A 13 -2.768 8.432 1.086 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.203 8.664 2.379 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.551 7.664 0.240 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.402 8.137 2.816 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.748 7.139 0.679 1.00 0.00 C ATOM 164 CZ PHE A 13 -5.176 7.374 1.966 1.00 0.00 C ATOM 0 H PHE A 13 -0.352 10.347 -1.239 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.757 10.686 0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.177 8.579 -0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.632 8.820 1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.602 9.260 3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.221 7.475 -0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.735 8.323 3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.351 6.542 0.011 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.114 6.963 2.309 1.00 0.00 H new ATOM 174 N LEU A 14 0.128 11.471 1.764 1.00 0.00 N ATOM 175 CA LEU A 14 0.695 12.216 2.939 1.00 0.00 C ATOM 176 C LEU A 14 -0.067 13.564 3.030 1.00 0.00 C ATOM 177 O LEU A 14 -0.690 13.919 4.013 1.00 0.00 O ATOM 178 CB LEU A 14 2.227 12.479 2.725 1.00 0.00 C ATOM 179 CG LEU A 14 3.150 11.208 2.609 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.833 10.135 3.683 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.160 10.566 1.200 1.00 0.00 C ATOM 0 H LEU A 14 0.820 11.133 1.095 1.00 0.00 H new ATOM 0 HA LEU A 14 0.580 11.639 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.348 13.072 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.588 13.088 3.554 1.00 0.00 H new ATOM 0 HG LEU A 14 4.154 11.591 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.500 9.283 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.976 10.561 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.799 9.806 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.818 9.697 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.149 10.256 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.520 11.293 0.472 1.00 0.00 H new ATOM 193 N PHE A 15 0.038 14.263 1.935 1.00 0.00 N ATOM 194 CA PHE A 15 -0.603 15.599 1.738 1.00 0.00 C ATOM 195 C PHE A 15 -2.096 15.554 2.154 1.00 0.00 C ATOM 196 O PHE A 15 -2.548 16.279 3.019 1.00 0.00 O ATOM 197 CB PHE A 15 -0.367 15.904 0.243 1.00 0.00 C ATOM 198 CG PHE A 15 -1.165 17.040 -0.396 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.272 18.292 0.176 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.779 16.794 -1.618 1.00 0.00 C ATOM 201 CE1 PHE A 15 -1.986 19.278 -0.478 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.487 17.778 -2.261 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.592 19.020 -1.694 1.00 0.00 C ATOM 0 H PHE A 15 0.571 13.946 1.125 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.186 16.392 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.692 16.126 0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.574 14.994 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.802 18.499 1.126 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.698 15.815 -2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.072 20.259 -0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.960 17.574 -3.210 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.148 19.798 -2.196 1.00 0.00 H new ATOM 213 N CYS A 16 -2.796 14.670 1.496 1.00 0.00 N ATOM 214 CA CYS A 16 -4.259 14.418 1.700 1.00 0.00 C ATOM 215 C CYS A 16 -4.589 14.222 3.174 1.00 0.00 C ATOM 216 O CYS A 16 -5.547 14.776 3.661 1.00 0.00 O ATOM 217 CB CYS A 16 -4.710 13.148 0.925 1.00 0.00 C ATOM 218 SG CYS A 16 -4.763 11.551 1.780 1.00 0.00 S ATOM 0 H CYS A 16 -2.386 14.073 0.778 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.788 15.294 1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.709 13.342 0.534 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.047 13.037 0.067 1.00 0.00 H new ATOM 223 N SER A 17 -3.797 13.432 3.850 1.00 0.00 N ATOM 224 CA SER A 17 -4.036 13.174 5.299 1.00 0.00 C ATOM 225 C SER A 17 -4.107 14.495 6.070 1.00 0.00 C ATOM 226 O SER A 17 -5.005 14.722 6.858 1.00 0.00 O ATOM 227 CB SER A 17 -2.895 12.309 5.864 1.00 0.00 C ATOM 228 OG SER A 17 -2.894 11.149 5.044 1.00 0.00 O ATOM 0 H SER A 17 -2.988 12.951 3.456 1.00 0.00 H new ATOM 0 HA SER A 17 -4.984 12.649 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.939 12.831 5.816 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.068 12.056 6.910 1.00 0.00 H new ATOM 0 HG SER A 17 -2.421 11.340 4.207 1.00 0.00 H new ATOM 234 N GLU A 18 -3.133 15.317 5.792 1.00 0.00 N ATOM 235 CA GLU A 18 -3.030 16.653 6.442 1.00 0.00 C ATOM 236 C GLU A 18 -4.166 17.606 5.995 1.00 0.00 C ATOM 237 O GLU A 18 -4.418 18.614 6.625 1.00 0.00 O ATOM 238 CB GLU A 18 -1.650 17.211 6.080 1.00 0.00 C ATOM 239 CG GLU A 18 -1.409 18.564 6.784 1.00 0.00 C ATOM 240 CD GLU A 18 0.047 19.013 6.562 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.390 19.233 5.409 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.741 19.106 7.560 1.00 0.00 O ATOM 0 H GLU A 18 -2.388 15.113 5.126 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.140 16.560 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.877 16.500 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.575 17.338 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.095 19.315 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.612 18.471 7.851 1.00 0.00 H new ATOM 249 N TYR A 19 -4.819 17.245 4.922 1.00 0.00 N ATOM 250 CA TYR A 19 -5.941 18.061 4.362 1.00 0.00 C ATOM 251 C TYR A 19 -7.320 17.643 4.851 1.00 0.00 C ATOM 252 O TYR A 19 -8.126 18.490 5.171 1.00 0.00 O ATOM 253 CB TYR A 19 -5.910 17.961 2.829 1.00 0.00 C ATOM 254 CG TYR A 19 -5.169 19.176 2.302 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.845 19.358 2.632 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.802 20.085 1.484 1.00 0.00 C ATOM 257 CE1 TYR A 19 -3.149 20.439 2.147 1.00 0.00 C ATOM 258 CE2 TYR A 19 -5.112 21.165 1.000 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.778 21.354 1.325 1.00 0.00 C ATOM 260 OH TYR A 19 -3.095 22.453 0.842 1.00 0.00 O ATOM 0 H TYR A 19 -4.617 16.395 4.395 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.784 19.082 4.710 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.412 17.044 2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.923 17.927 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.350 18.646 3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.841 19.947 1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.110 20.573 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.612 21.876 0.359 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.693 22.988 0.279 1.00 0.00 H new ATOM 270 N ARG A 20 -7.537 16.355 4.876 1.00 0.00 N ATOM 271 CA ARG A 20 -8.822 15.742 5.319 1.00 0.00 C ATOM 272 C ARG A 20 -9.644 16.669 6.238 1.00 0.00 C ATOM 273 O ARG A 20 -10.657 17.163 5.791 1.00 0.00 O ATOM 274 CB ARG A 20 -8.451 14.386 5.993 1.00 0.00 C ATOM 275 CG ARG A 20 -9.702 13.740 6.624 1.00 0.00 C ATOM 276 CD ARG A 20 -9.321 12.382 7.232 1.00 0.00 C ATOM 277 NE ARG A 20 -10.580 11.746 7.719 1.00 0.00 N ATOM 278 CZ ARG A 20 -11.023 10.668 7.132 1.00 0.00 C ATOM 279 NH1 ARG A 20 -11.678 10.799 6.010 1.00 0.00 N ATOM 280 NH2 ARG A 20 -10.796 9.505 7.675 1.00 0.00 N ATOM 0 H ARG A 20 -6.837 15.670 4.592 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.482 15.576 4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.019 13.711 5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.692 14.548 6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.114 14.393 7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.477 13.609 5.869 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.834 11.751 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.614 12.512 8.051 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.090 12.151 8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.832 11.727 5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.036 9.974 5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.276 9.444 8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.138 8.656 7.224 1.00 0.00 H new ATOM 294 N PRO A 21 -9.220 16.918 7.458 1.00 0.00 N ATOM 295 CA PRO A 21 -10.059 17.595 8.490 1.00 0.00 C ATOM 296 C PRO A 21 -10.354 19.067 8.131 1.00 0.00 C ATOM 297 O PRO A 21 -11.318 19.651 8.588 1.00 0.00 O ATOM 298 CB PRO A 21 -9.242 17.442 9.758 1.00 0.00 C ATOM 299 CG PRO A 21 -7.802 17.564 9.212 1.00 0.00 C ATOM 300 CD PRO A 21 -7.865 16.611 8.011 1.00 0.00 C ATOM 0 HA PRO A 21 -11.053 17.159 8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.471 18.217 10.489 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.416 16.483 10.245 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.558 18.584 8.917 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.055 17.256 9.944 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.073 16.808 7.289 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.771 15.567 8.310 1.00 0.00 H new ATOM 308 N LYS A 22 -9.486 19.592 7.309 1.00 0.00 N ATOM 309 CA LYS A 22 -9.565 21.003 6.829 1.00 0.00 C ATOM 310 C LYS A 22 -10.496 21.142 5.614 1.00 0.00 C ATOM 311 O LYS A 22 -11.110 22.182 5.457 1.00 0.00 O ATOM 312 CB LYS A 22 -8.117 21.453 6.487 1.00 0.00 C ATOM 313 CG LYS A 22 -8.087 22.845 5.810 1.00 0.00 C ATOM 314 CD LYS A 22 -6.621 23.220 5.466 1.00 0.00 C ATOM 315 CE LYS A 22 -6.600 24.267 4.328 1.00 0.00 C ATOM 316 NZ LYS A 22 -7.374 25.486 4.706 1.00 0.00 N ATOM 0 H LYS A 22 -8.690 19.076 6.934 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.991 21.639 7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.521 21.481 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.656 20.719 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.693 22.834 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.519 23.594 6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.122 23.619 6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.070 22.330 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.570 24.542 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.020 23.832 3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.206 26.235 4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.388 25.258 4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.067 25.815 5.644 1.00 0.00 H new ATOM 330 N ILE A 23 -10.616 20.124 4.795 1.00 0.00 N ATOM 331 CA ILE A 23 -11.515 20.260 3.610 1.00 0.00 C ATOM 332 C ILE A 23 -12.867 19.885 4.167 1.00 0.00 C ATOM 333 O ILE A 23 -13.861 20.519 3.913 1.00 0.00 O ATOM 334 CB ILE A 23 -11.166 19.270 2.472 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.667 19.372 2.096 1.00 0.00 C ATOM 336 CG2 ILE A 23 -12.020 19.685 1.238 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.360 18.312 1.023 1.00 0.00 C ATOM 0 H ILE A 23 -10.142 19.226 4.893 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.445 21.257 3.175 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.370 18.247 2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.438 20.369 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.044 19.212 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.808 19.013 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.078 19.626 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.772 20.707 0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.307 18.369 0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.578 17.320 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.977 18.495 0.144 1.00 0.00 H new ATOM 349 N LYS A 24 -12.823 18.834 4.928 1.00 0.00 N ATOM 350 CA LYS A 24 -14.002 18.253 5.609 1.00 0.00 C ATOM 351 C LYS A 24 -14.626 19.289 6.552 1.00 0.00 C ATOM 352 O LYS A 24 -15.808 19.255 6.831 1.00 0.00 O ATOM 353 CB LYS A 24 -13.493 17.045 6.372 1.00 0.00 C ATOM 354 CG LYS A 24 -14.640 16.177 6.952 1.00 0.00 C ATOM 355 CD LYS A 24 -15.348 15.384 5.824 1.00 0.00 C ATOM 356 CE LYS A 24 -14.407 14.283 5.280 1.00 0.00 C ATOM 357 NZ LYS A 24 -14.153 13.260 6.336 1.00 0.00 N ATOM 0 H LYS A 24 -11.959 18.325 5.114 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.780 17.962 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.880 16.434 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.849 17.379 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.241 15.486 7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.361 16.813 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.265 14.935 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.635 16.060 5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.854 13.811 4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.465 14.726 4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.820 12.380 5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.428 13.612 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.033 13.074 6.858 1.00 0.00 H new ATOM 371 N GLY A 25 -13.785 20.183 7.006 1.00 0.00 N ATOM 372 CA GLY A 25 -14.227 21.250 7.940 1.00 0.00 C ATOM 373 C GLY A 25 -14.893 22.420 7.216 1.00 0.00 C ATOM 374 O GLY A 25 -15.829 23.008 7.720 1.00 0.00 O ATOM 0 H GLY A 25 -12.795 20.215 6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.925 20.829 8.663 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.368 21.616 8.502 1.00 0.00 H new ATOM 378 N GLU A 26 -14.384 22.715 6.050 1.00 0.00 N ATOM 379 CA GLU A 26 -14.927 23.834 5.227 1.00 0.00 C ATOM 380 C GLU A 26 -16.108 23.422 4.339 1.00 0.00 C ATOM 381 O GLU A 26 -17.082 24.141 4.220 1.00 0.00 O ATOM 382 CB GLU A 26 -13.788 24.371 4.348 1.00 0.00 C ATOM 383 CG GLU A 26 -12.627 24.852 5.245 1.00 0.00 C ATOM 384 CD GLU A 26 -13.031 26.131 6.000 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.255 27.121 5.320 1.00 0.00 O ATOM 386 OE2 GLU A 26 -13.094 26.049 7.216 1.00 0.00 O ATOM 0 H GLU A 26 -13.601 22.218 5.626 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.309 24.594 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.439 23.592 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.148 25.193 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.360 24.070 5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.744 25.044 4.636 1.00 0.00 H new ATOM 393 N HIS A 27 -15.971 22.268 3.744 1.00 0.00 N ATOM 394 CA HIS A 27 -16.992 21.689 2.835 1.00 0.00 C ATOM 395 C HIS A 27 -17.334 20.254 3.282 1.00 0.00 C ATOM 396 O HIS A 27 -16.890 19.295 2.678 1.00 0.00 O ATOM 397 CB HIS A 27 -16.403 21.714 1.399 1.00 0.00 C ATOM 398 CG HIS A 27 -15.749 23.080 1.158 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.381 24.202 1.085 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.415 23.418 0.981 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.536 25.162 0.883 1.00 0.00 C ATOM 402 NE2 HIS A 27 -14.304 24.722 0.811 1.00 0.00 N ATOM 0 H HIS A 27 -15.148 21.677 3.861 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.918 22.264 2.860 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.669 20.917 1.278 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.189 21.537 0.665 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.592 22.719 0.982 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.814 26.201 0.786 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.453 25.264 0.658 1.00 0.00 H new ATOM 410 N PRO A 28 -18.117 20.134 4.332 1.00 0.00 N ATOM 411 CA PRO A 28 -18.721 18.836 4.751 1.00 0.00 C ATOM 412 C PRO A 28 -19.913 18.479 3.832 1.00 0.00 C ATOM 413 O PRO A 28 -20.964 18.070 4.285 1.00 0.00 O ATOM 414 CB PRO A 28 -19.096 19.097 6.209 1.00 0.00 C ATOM 415 CG PRO A 28 -19.547 20.580 6.166 1.00 0.00 C ATOM 416 CD PRO A 28 -18.498 21.247 5.246 1.00 0.00 C ATOM 0 HA PRO A 28 -18.067 17.968 4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.894 18.438 6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.251 18.947 6.881 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.556 20.682 5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.552 21.027 7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.916 22.094 4.702 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.643 21.620 5.809 1.00 0.00 H new ATOM 424 N GLY A 29 -19.679 18.654 2.555 1.00 0.00 N ATOM 425 CA GLY A 29 -20.674 18.375 1.489 1.00 0.00 C ATOM 426 C GLY A 29 -20.030 17.544 0.370 1.00 0.00 C ATOM 427 O GLY A 29 -20.733 16.966 -0.438 1.00 0.00 O ATOM 0 H GLY A 29 -18.788 18.998 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.525 17.838 1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.056 19.312 1.083 1.00 0.00 H new ATOM 431 N LEU A 30 -18.717 17.504 0.350 1.00 0.00 N ATOM 432 CA LEU A 30 -17.992 16.734 -0.693 1.00 0.00 C ATOM 433 C LEU A 30 -18.103 15.222 -0.444 1.00 0.00 C ATOM 434 O LEU A 30 -18.544 14.770 0.596 1.00 0.00 O ATOM 435 CB LEU A 30 -16.502 17.138 -0.675 1.00 0.00 C ATOM 436 CG LEU A 30 -16.275 18.661 -0.779 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.765 18.941 -0.937 1.00 0.00 C ATOM 438 CD2 LEU A 30 -17.063 19.319 -1.934 1.00 0.00 C ATOM 0 H LEU A 30 -18.117 17.980 1.023 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.439 16.960 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.046 16.773 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.990 16.645 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.653 19.107 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.600 20.016 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.230 18.550 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.397 18.455 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.858 20.389 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.757 18.876 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -18.130 19.156 -1.785 1.00 0.00 H new ATOM 450 N SER A 31 -17.681 14.503 -1.447 1.00 0.00 N ATOM 451 CA SER A 31 -17.682 13.016 -1.444 1.00 0.00 C ATOM 452 C SER A 31 -16.219 12.568 -1.439 1.00 0.00 C ATOM 453 O SER A 31 -15.321 13.383 -1.490 1.00 0.00 O ATOM 454 CB SER A 31 -18.369 12.492 -2.720 1.00 0.00 C ATOM 455 OG SER A 31 -17.507 12.868 -3.788 1.00 0.00 O ATOM 0 H SER A 31 -17.318 14.909 -2.309 1.00 0.00 H new ATOM 0 HA SER A 31 -18.218 12.631 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.500 11.411 -2.681 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.360 12.929 -2.841 1.00 0.00 H new ATOM 0 HG SER A 31 -17.472 12.146 -4.450 1.00 0.00 H new ATOM 461 N ILE A 32 -16.023 11.278 -1.396 1.00 0.00 N ATOM 462 CA ILE A 32 -14.641 10.714 -1.393 1.00 0.00 C ATOM 463 C ILE A 32 -14.080 10.826 -2.834 1.00 0.00 C ATOM 464 O ILE A 32 -12.970 10.435 -3.129 1.00 0.00 O ATOM 465 CB ILE A 32 -14.786 9.258 -0.908 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.529 8.721 -0.178 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.216 8.291 -2.053 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.210 8.815 -0.972 1.00 0.00 C ATOM 0 H ILE A 32 -16.769 10.583 -1.362 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.944 11.238 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.589 9.286 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.410 9.270 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.701 7.677 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.304 7.278 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.178 8.609 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.467 8.309 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.394 8.413 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.299 8.241 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.004 9.858 -1.213 1.00 0.00 H new ATOM 480 N GLY A 33 -14.907 11.369 -3.683 1.00 0.00 N ATOM 481 CA GLY A 33 -14.575 11.584 -5.124 1.00 0.00 C ATOM 482 C GLY A 33 -14.396 13.080 -5.417 1.00 0.00 C ATOM 483 O GLY A 33 -13.935 13.446 -6.480 1.00 0.00 O ATOM 0 H GLY A 33 -15.841 11.687 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.661 11.046 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.369 11.177 -5.751 1.00 0.00 H new ATOM 487 N ASP A 34 -14.751 13.893 -4.454 1.00 0.00 N ATOM 488 CA ASP A 34 -14.642 15.372 -4.582 1.00 0.00 C ATOM 489 C ASP A 34 -13.421 15.787 -3.795 1.00 0.00 C ATOM 490 O ASP A 34 -12.571 16.494 -4.289 1.00 0.00 O ATOM 491 CB ASP A 34 -15.894 16.035 -3.994 1.00 0.00 C ATOM 492 CG ASP A 34 -17.174 15.781 -4.820 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.098 15.905 -6.032 1.00 0.00 O ATOM 494 OD2 ASP A 34 -18.170 15.483 -4.182 1.00 0.00 O ATOM 0 H ASP A 34 -15.123 13.579 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.556 15.674 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.047 15.667 -2.980 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.726 17.109 -3.921 1.00 0.00 H new ATOM 499 N VAL A 35 -13.373 15.324 -2.581 1.00 0.00 N ATOM 500 CA VAL A 35 -12.235 15.631 -1.671 1.00 0.00 C ATOM 501 C VAL A 35 -10.961 15.121 -2.355 1.00 0.00 C ATOM 502 O VAL A 35 -9.896 15.698 -2.263 1.00 0.00 O ATOM 503 CB VAL A 35 -12.506 14.899 -0.335 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.309 15.032 0.615 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.742 15.507 0.357 1.00 0.00 C ATOM 0 H VAL A 35 -14.093 14.730 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.121 16.696 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.676 13.846 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.524 14.509 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.425 14.596 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.126 16.086 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.926 14.986 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.564 16.564 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.611 15.402 -0.292 1.00 0.00 H new ATOM 515 N ALA A 36 -11.173 14.033 -3.045 1.00 0.00 N ATOM 516 CA ALA A 36 -10.099 13.341 -3.791 1.00 0.00 C ATOM 517 C ALA A 36 -9.777 14.030 -5.101 1.00 0.00 C ATOM 518 O ALA A 36 -8.615 14.206 -5.406 1.00 0.00 O ATOM 519 CB ALA A 36 -10.564 11.921 -4.028 1.00 0.00 C ATOM 0 H ALA A 36 -12.086 13.584 -3.120 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.177 13.359 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.798 11.374 -4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.742 11.432 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.487 11.932 -4.607 1.00 0.00 H new ATOM 525 N LYS A 37 -10.779 14.403 -5.854 1.00 0.00 N ATOM 526 CA LYS A 37 -10.466 15.084 -7.139 1.00 0.00 C ATOM 527 C LYS A 37 -9.907 16.488 -6.915 1.00 0.00 C ATOM 528 O LYS A 37 -9.019 16.906 -7.624 1.00 0.00 O ATOM 529 CB LYS A 37 -11.722 15.232 -8.030 1.00 0.00 C ATOM 530 CG LYS A 37 -11.888 14.009 -8.965 1.00 0.00 C ATOM 531 CD LYS A 37 -12.911 14.323 -10.091 1.00 0.00 C ATOM 532 CE LYS A 37 -12.390 15.478 -10.998 1.00 0.00 C ATOM 533 NZ LYS A 37 -13.285 15.666 -12.172 1.00 0.00 N ATOM 0 H LYS A 37 -11.768 14.271 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.724 14.454 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.607 15.337 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.644 16.141 -8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.925 13.745 -9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.224 13.146 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.083 13.430 -10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.869 14.602 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.336 16.403 -10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.379 15.254 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.922 16.440 -12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.316 14.788 -12.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.243 15.902 -11.844 1.00 0.00 H new ATOM 547 N LYS A 38 -10.403 17.189 -5.934 1.00 0.00 N ATOM 548 CA LYS A 38 -9.914 18.561 -5.689 1.00 0.00 C ATOM 549 C LYS A 38 -8.499 18.555 -5.161 1.00 0.00 C ATOM 550 O LYS A 38 -7.643 19.197 -5.730 1.00 0.00 O ATOM 551 CB LYS A 38 -10.895 19.222 -4.699 1.00 0.00 C ATOM 552 CG LYS A 38 -10.532 20.716 -4.513 1.00 0.00 C ATOM 553 CD LYS A 38 -11.593 21.450 -3.663 1.00 0.00 C ATOM 554 CE LYS A 38 -12.952 21.475 -4.403 1.00 0.00 C ATOM 555 NZ LYS A 38 -13.922 22.331 -3.663 1.00 0.00 N ATOM 0 H LYS A 38 -11.127 16.864 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.880 19.129 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.916 19.131 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.857 18.708 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.557 20.798 -4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.448 21.196 -5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.705 20.952 -2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.264 22.469 -3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.817 21.856 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.344 20.462 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.831 22.341 -4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.062 21.949 -2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.551 23.300 -3.599 1.00 0.00 H new ATOM 569 N LEU A 39 -8.261 17.821 -4.109 1.00 0.00 N ATOM 570 CA LEU A 39 -6.879 17.812 -3.566 1.00 0.00 C ATOM 571 C LEU A 39 -5.971 16.908 -4.412 1.00 0.00 C ATOM 572 O LEU A 39 -4.793 17.171 -4.510 1.00 0.00 O ATOM 573 CB LEU A 39 -7.099 17.428 -2.066 1.00 0.00 C ATOM 574 CG LEU A 39 -6.596 16.085 -1.632 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.077 16.220 -1.341 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.318 15.678 -0.319 1.00 0.00 C ATOM 0 H LEU A 39 -8.942 17.244 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.333 18.754 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.620 18.187 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.168 17.475 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.780 15.337 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.681 15.256 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.561 16.543 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.922 16.955 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.959 14.701 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.110 16.417 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.393 15.630 -0.495 1.00 0.00 H new ATOM 588 N GLY A 40 -6.505 15.883 -5.022 1.00 0.00 N ATOM 589 CA GLY A 40 -5.649 14.983 -5.867 1.00 0.00 C ATOM 590 C GLY A 40 -5.136 15.757 -7.085 1.00 0.00 C ATOM 591 O GLY A 40 -4.079 15.452 -7.601 1.00 0.00 O ATOM 0 H GLY A 40 -7.491 15.627 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.809 14.608 -5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.224 14.116 -6.191 1.00 0.00 H new ATOM 595 N GLU A 41 -5.895 16.738 -7.512 1.00 0.00 N ATOM 596 CA GLU A 41 -5.470 17.545 -8.685 1.00 0.00 C ATOM 597 C GLU A 41 -4.454 18.558 -8.179 1.00 0.00 C ATOM 598 O GLU A 41 -3.426 18.745 -8.800 1.00 0.00 O ATOM 599 CB GLU A 41 -6.666 18.275 -9.275 1.00 0.00 C ATOM 600 CG GLU A 41 -7.565 17.289 -10.064 1.00 0.00 C ATOM 601 CD GLU A 41 -8.855 17.992 -10.545 1.00 0.00 C ATOM 602 OE1 GLU A 41 -9.572 18.505 -9.700 1.00 0.00 O ATOM 603 OE2 GLU A 41 -9.060 17.977 -11.747 1.00 0.00 O ATOM 0 H GLU A 41 -6.786 17.009 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.043 16.909 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.243 18.745 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.324 19.073 -9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.018 16.896 -10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.822 16.438 -9.433 1.00 0.00 H new ATOM 610 N MET A 42 -4.756 19.182 -7.062 1.00 0.00 N ATOM 611 CA MET A 42 -3.794 20.189 -6.519 1.00 0.00 C ATOM 612 C MET A 42 -2.459 19.539 -6.236 1.00 0.00 C ATOM 613 O MET A 42 -1.433 20.166 -6.355 1.00 0.00 O ATOM 614 CB MET A 42 -4.306 20.775 -5.246 1.00 0.00 C ATOM 615 CG MET A 42 -5.541 21.643 -5.542 1.00 0.00 C ATOM 616 SD MET A 42 -6.074 22.794 -4.251 1.00 0.00 S ATOM 617 CE MET A 42 -6.831 21.586 -3.137 1.00 0.00 C ATOM 0 H MET A 42 -5.606 19.041 -6.516 1.00 0.00 H new ATOM 0 HA MET A 42 -3.680 20.974 -7.267 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.566 19.981 -4.546 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.530 21.377 -4.772 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.340 22.219 -6.445 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.375 20.978 -5.767 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.574 22.082 -2.513 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.314 20.803 -3.723 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.062 21.143 -2.504 1.00 0.00 H new ATOM 627 N TRP A 43 -2.511 18.298 -5.842 1.00 0.00 N ATOM 628 CA TRP A 43 -1.274 17.531 -5.545 1.00 0.00 C ATOM 629 C TRP A 43 -0.355 17.640 -6.746 1.00 0.00 C ATOM 630 O TRP A 43 0.822 17.925 -6.622 1.00 0.00 O ATOM 631 CB TRP A 43 -1.657 16.101 -5.310 1.00 0.00 C ATOM 632 CG TRP A 43 -0.399 15.252 -5.416 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.189 14.357 -6.402 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.643 15.255 -4.563 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.989 13.862 -6.081 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.576 14.330 -4.991 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.863 15.990 -3.407 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.740 14.143 -4.250 1.00 0.00 C ATOM 639 CZ3 TRP A 43 2.017 15.805 -2.665 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.964 14.876 -3.088 1.00 0.00 C ATOM 0 H TRP A 43 -3.377 17.775 -5.711 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.765 17.918 -4.662 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.113 15.986 -4.326 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.396 15.779 -6.043 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.824 14.109 -7.240 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.433 13.143 -6.653 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.128 16.712 -3.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.475 13.423 -4.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.182 16.377 -1.764 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.868 14.725 -2.517 1.00 0.00 H new ATOM 651 N ASN A 44 -0.966 17.401 -7.876 1.00 0.00 N ATOM 652 CA ASN A 44 -0.180 17.464 -9.140 1.00 0.00 C ATOM 653 C ASN A 44 0.424 18.867 -9.299 1.00 0.00 C ATOM 654 O ASN A 44 1.463 19.031 -9.909 1.00 0.00 O ATOM 655 CB ASN A 44 -1.107 17.118 -10.339 1.00 0.00 C ATOM 656 CG ASN A 44 -1.733 15.737 -10.080 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.027 15.599 -10.153 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.047 14.773 -9.807 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.954 17.170 -7.978 1.00 0.00 H new ATOM 0 HA ASN A 44 0.635 16.741 -9.111 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.885 17.874 -10.448 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.538 17.109 -11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.033 14.869 -9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.484 13.867 -9.638 1.00 0.00 H new ATOM 665 N ASN A 45 -0.265 19.829 -8.733 1.00 0.00 N ATOM 666 CA ASN A 45 0.179 21.261 -8.786 1.00 0.00 C ATOM 667 C ASN A 45 0.392 21.866 -7.371 1.00 0.00 C ATOM 668 O ASN A 45 -0.009 22.991 -7.134 1.00 0.00 O ATOM 669 CB ASN A 45 -0.903 22.064 -9.549 1.00 0.00 C ATOM 670 CG ASN A 45 -1.538 21.179 -10.625 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.769 20.798 -10.428 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -0.931 20.834 -11.620 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.137 19.679 -8.225 1.00 0.00 H new ATOM 0 HA ASN A 45 1.142 21.313 -9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.667 22.414 -8.855 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.459 22.948 -10.007 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.032 21.139 -11.762 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.384 20.239 -12.313 1.00 0.00 H new ATOM 679 N THR A 46 1.011 21.140 -6.461 1.00 0.00 N ATOM 680 CA THR A 46 1.219 21.722 -5.089 1.00 0.00 C ATOM 681 C THR A 46 2.404 22.697 -5.180 1.00 0.00 C ATOM 682 O THR A 46 2.317 23.827 -4.737 1.00 0.00 O ATOM 683 CB THR A 46 1.491 20.555 -4.048 1.00 0.00 C ATOM 684 OG1 THR A 46 1.766 21.214 -2.817 1.00 0.00 O ATOM 685 CG2 THR A 46 2.737 19.676 -4.289 1.00 0.00 C ATOM 0 H THR A 46 1.372 20.196 -6.602 1.00 0.00 H new ATOM 0 HA THR A 46 0.335 22.258 -4.743 1.00 0.00 H new ATOM 0 HB THR A 46 0.624 19.897 -4.104 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.518 20.772 -2.370 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.805 18.919 -3.507 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.656 19.188 -5.260 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.631 20.299 -4.270 1.00 0.00 H new ATOM 693 N ALA A 47 3.468 22.213 -5.756 1.00 0.00 N ATOM 694 CA ALA A 47 4.717 23.004 -5.945 1.00 0.00 C ATOM 695 C ALA A 47 5.541 22.220 -6.956 1.00 0.00 C ATOM 696 O ALA A 47 5.980 22.748 -7.957 1.00 0.00 O ATOM 697 CB ALA A 47 5.513 23.123 -4.635 1.00 0.00 C ATOM 0 H ALA A 47 3.525 21.261 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 47 4.486 24.017 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.417 23.706 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.902 23.619 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.785 22.128 -4.283 1.00 0.00 H new ATOM 703 N ALA A 48 5.691 20.967 -6.597 1.00 0.00 N ATOM 704 CA ALA A 48 6.448 19.906 -7.341 1.00 0.00 C ATOM 705 C ALA A 48 7.692 19.719 -6.483 1.00 0.00 C ATOM 706 O ALA A 48 8.165 18.621 -6.252 1.00 0.00 O ATOM 707 CB ALA A 48 6.908 20.324 -8.761 1.00 0.00 C ATOM 0 H ALA A 48 5.278 20.609 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 48 5.821 19.027 -7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.447 19.499 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.037 20.576 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.564 21.192 -8.690 1.00 0.00 H new ATOM 713 N ASP A 49 8.156 20.857 -6.028 1.00 0.00 N ATOM 714 CA ASP A 49 9.360 20.936 -5.171 1.00 0.00 C ATOM 715 C ASP A 49 8.876 20.888 -3.701 1.00 0.00 C ATOM 716 O ASP A 49 9.552 21.321 -2.788 1.00 0.00 O ATOM 717 CB ASP A 49 10.059 22.261 -5.564 1.00 0.00 C ATOM 718 CG ASP A 49 11.513 22.332 -5.061 1.00 0.00 C ATOM 719 OD1 ASP A 49 11.692 22.527 -3.871 1.00 0.00 O ATOM 720 OD2 ASP A 49 12.379 22.183 -5.907 1.00 0.00 O ATOM 0 H ASP A 49 7.728 21.761 -6.228 1.00 0.00 H new ATOM 0 HA ASP A 49 10.073 20.121 -5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.048 22.366 -6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.495 23.100 -5.156 1.00 0.00 H new ATOM 725 N ASP A 50 7.694 20.342 -3.531 1.00 0.00 N ATOM 726 CA ASP A 50 7.050 20.193 -2.184 1.00 0.00 C ATOM 727 C ASP A 50 6.571 18.744 -2.092 1.00 0.00 C ATOM 728 O ASP A 50 6.345 18.210 -1.024 1.00 0.00 O ATOM 729 CB ASP A 50 5.845 21.133 -2.050 1.00 0.00 C ATOM 730 CG ASP A 50 5.149 20.900 -0.696 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.797 21.157 0.306 1.00 0.00 O ATOM 732 OD2 ASP A 50 4.007 20.473 -0.743 1.00 0.00 O ATOM 0 H ASP A 50 7.129 19.980 -4.299 1.00 0.00 H new ATOM 0 HA ASP A 50 7.757 20.442 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.171 22.170 -2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.143 20.957 -2.865 1.00 0.00 H new ATOM 737 N LYS A 51 6.436 18.156 -3.252 1.00 0.00 N ATOM 738 CA LYS A 51 5.983 16.752 -3.365 1.00 0.00 C ATOM 739 C LYS A 51 7.189 15.934 -2.977 1.00 0.00 C ATOM 740 O LYS A 51 7.087 15.134 -2.080 1.00 0.00 O ATOM 741 CB LYS A 51 5.608 16.414 -4.805 1.00 0.00 C ATOM 742 CG LYS A 51 4.541 17.386 -5.292 1.00 0.00 C ATOM 743 CD LYS A 51 4.264 17.217 -6.794 1.00 0.00 C ATOM 744 CE LYS A 51 3.502 15.950 -7.098 1.00 0.00 C ATOM 745 NZ LYS A 51 4.367 14.742 -6.950 1.00 0.00 N ATOM 0 H LYS A 51 6.628 18.609 -4.145 1.00 0.00 H new ATOM 0 HA LYS A 51 5.107 16.564 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.488 16.473 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.238 15.391 -4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.620 17.227 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.862 18.409 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.697 18.075 -7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.209 17.209 -7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.646 15.870 -6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.109 15.995 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.180 14.083 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.367 15.027 -6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.157 14.273 -6.046 1.00 0.00 H new ATOM 759 N GLN A 52 8.282 16.163 -3.668 1.00 0.00 N ATOM 760 CA GLN A 52 9.573 15.448 -3.416 1.00 0.00 C ATOM 761 C GLN A 52 9.688 14.811 -2.015 1.00 0.00 C ATOM 762 O GLN A 52 9.814 13.611 -1.962 1.00 0.00 O ATOM 763 CB GLN A 52 10.723 16.473 -3.685 1.00 0.00 C ATOM 764 CG GLN A 52 11.783 15.880 -4.652 1.00 0.00 C ATOM 765 CD GLN A 52 11.223 15.515 -6.051 1.00 0.00 C ATOM 766 OE1 GLN A 52 9.940 15.545 -6.297 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 11.973 15.185 -6.949 1.00 0.00 N flip ATOM 0 H GLN A 52 8.331 16.844 -4.426 1.00 0.00 H new ATOM 0 HA GLN A 52 9.635 14.593 -4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.308 17.387 -4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.198 16.747 -2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.593 16.599 -4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.214 14.987 -4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.979 15.152 -6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.596 14.941 -7.865 1.00 0.00 H new ATOM 776 N PRO A 53 9.637 15.544 -0.923 1.00 0.00 N ATOM 777 CA PRO A 53 9.645 14.940 0.446 1.00 0.00 C ATOM 778 C PRO A 53 8.584 13.839 0.653 1.00 0.00 C ATOM 779 O PRO A 53 8.890 12.738 1.063 1.00 0.00 O ATOM 780 CB PRO A 53 9.453 16.139 1.384 1.00 0.00 C ATOM 781 CG PRO A 53 8.764 17.183 0.479 1.00 0.00 C ATOM 782 CD PRO A 53 9.535 17.028 -0.840 1.00 0.00 C ATOM 0 HA PRO A 53 10.575 14.404 0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.836 15.882 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.404 16.505 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.701 16.977 0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.848 18.192 0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.997 17.454 -1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.512 17.509 -0.808 1.00 0.00 H new ATOM 790 N TYR A 54 7.360 14.183 0.341 1.00 0.00 N ATOM 791 CA TYR A 54 6.211 13.230 0.492 1.00 0.00 C ATOM 792 C TYR A 54 6.407 12.047 -0.447 1.00 0.00 C ATOM 793 O TYR A 54 6.223 10.902 -0.091 1.00 0.00 O ATOM 794 CB TYR A 54 4.903 13.967 0.151 1.00 0.00 C ATOM 795 CG TYR A 54 4.490 15.022 1.200 1.00 0.00 C ATOM 796 CD1 TYR A 54 5.258 15.345 2.309 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.289 15.676 1.020 1.00 0.00 C ATOM 798 CE1 TYR A 54 4.826 16.297 3.210 1.00 0.00 C ATOM 799 CE2 TYR A 54 2.860 16.627 1.919 1.00 0.00 C ATOM 800 CZ TYR A 54 3.623 16.946 3.021 1.00 0.00 C ATOM 801 OH TYR A 54 3.185 17.897 3.922 1.00 0.00 O ATOM 0 H TYR A 54 7.101 15.101 -0.019 1.00 0.00 H new ATOM 0 HA TYR A 54 6.162 12.862 1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.014 14.455 -0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.101 13.236 0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.203 14.847 2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.677 15.439 0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.434 16.536 4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.917 17.128 1.759 1.00 0.00 H new ATOM 0 HH TYR A 54 2.319 18.250 3.629 1.00 0.00 H new ATOM 811 N GLU A 55 6.775 12.381 -1.649 1.00 0.00 N ATOM 812 CA GLU A 55 7.018 11.350 -2.689 1.00 0.00 C ATOM 813 C GLU A 55 8.077 10.350 -2.201 1.00 0.00 C ATOM 814 O GLU A 55 7.830 9.164 -2.121 1.00 0.00 O ATOM 815 CB GLU A 55 7.469 12.093 -3.960 1.00 0.00 C ATOM 816 CG GLU A 55 6.704 11.520 -5.143 1.00 0.00 C ATOM 817 CD GLU A 55 7.189 12.169 -6.454 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.351 11.966 -6.773 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.373 12.836 -7.068 1.00 0.00 O ATOM 0 H GLU A 55 6.920 13.342 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 55 6.119 10.772 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.276 13.161 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.542 11.975 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.846 10.440 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.636 11.696 -5.015 1.00 0.00 H new ATOM 826 N LYS A 56 9.232 10.875 -1.889 1.00 0.00 N ATOM 827 CA LYS A 56 10.377 10.063 -1.388 1.00 0.00 C ATOM 828 C LYS A 56 9.896 9.115 -0.270 1.00 0.00 C ATOM 829 O LYS A 56 10.305 7.973 -0.188 1.00 0.00 O ATOM 830 CB LYS A 56 11.469 11.031 -0.849 1.00 0.00 C ATOM 831 CG LYS A 56 12.592 11.312 -1.892 1.00 0.00 C ATOM 832 CD LYS A 56 12.050 11.749 -3.281 1.00 0.00 C ATOM 833 CE LYS A 56 13.230 12.031 -4.234 1.00 0.00 C ATOM 834 NZ LYS A 56 14.007 13.215 -3.766 1.00 0.00 N ATOM 0 H LYS A 56 9.434 11.872 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 56 10.791 9.457 -2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.003 11.973 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.913 10.606 0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.250 12.091 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.198 10.414 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.413 10.968 -3.696 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.433 12.641 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.881 11.158 -4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.856 12.209 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.141 13.877 -4.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.488 13.690 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.935 12.904 -3.414 1.00 0.00 H new ATOM 848 N LYS A 57 9.015 9.642 0.552 1.00 0.00 N ATOM 849 CA LYS A 57 8.452 8.849 1.692 1.00 0.00 C ATOM 850 C LYS A 57 7.684 7.674 1.105 1.00 0.00 C ATOM 851 O LYS A 57 8.033 6.531 1.326 1.00 0.00 O ATOM 852 CB LYS A 57 7.512 9.763 2.530 1.00 0.00 C ATOM 853 CG LYS A 57 8.261 10.462 3.681 1.00 0.00 C ATOM 854 CD LYS A 57 8.118 9.607 4.957 1.00 0.00 C ATOM 855 CE LYS A 57 8.788 10.324 6.137 1.00 0.00 C ATOM 856 NZ LYS A 57 8.499 9.587 7.399 1.00 0.00 N ATOM 0 H LYS A 57 8.660 10.596 0.480 1.00 0.00 H new ATOM 0 HA LYS A 57 9.241 8.478 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.064 10.515 1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.696 9.167 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.313 10.587 3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.853 11.459 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.064 9.434 5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.576 8.630 4.805 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.865 10.382 5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.421 11.348 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.954 10.074 8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.471 9.553 7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.870 8.618 7.328 1.00 0.00 H new ATOM 870 N ALA A 58 6.652 8.007 0.368 1.00 0.00 N ATOM 871 CA ALA A 58 5.797 6.972 -0.288 1.00 0.00 C ATOM 872 C ALA A 58 6.656 5.840 -0.844 1.00 0.00 C ATOM 873 O ALA A 58 6.406 4.686 -0.573 1.00 0.00 O ATOM 874 CB ALA A 58 4.993 7.618 -1.427 1.00 0.00 C ATOM 0 H ALA A 58 6.363 8.969 0.191 1.00 0.00 H new ATOM 0 HA ALA A 58 5.115 6.558 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.369 6.863 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.360 8.408 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.678 8.041 -2.161 1.00 0.00 H new ATOM 880 N ALA A 59 7.649 6.229 -1.602 1.00 0.00 N ATOM 881 CA ALA A 59 8.586 5.248 -2.222 1.00 0.00 C ATOM 882 C ALA A 59 9.184 4.295 -1.177 1.00 0.00 C ATOM 883 O ALA A 59 8.946 3.107 -1.238 1.00 0.00 O ATOM 884 CB ALA A 59 9.712 6.027 -2.934 1.00 0.00 C ATOM 0 H ALA A 59 7.852 7.204 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 59 8.033 4.638 -2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.407 5.324 -3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.281 6.667 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.245 6.641 -2.208 1.00 0.00 H new ATOM 890 N LYS A 60 9.936 4.840 -0.255 1.00 0.00 N ATOM 891 CA LYS A 60 10.588 4.031 0.824 1.00 0.00 C ATOM 892 C LYS A 60 9.622 3.031 1.479 1.00 0.00 C ATOM 893 O LYS A 60 9.973 1.893 1.718 1.00 0.00 O ATOM 894 CB LYS A 60 11.168 5.043 1.847 1.00 0.00 C ATOM 895 CG LYS A 60 12.221 4.375 2.775 1.00 0.00 C ATOM 896 CD LYS A 60 11.609 3.973 4.134 1.00 0.00 C ATOM 897 CE LYS A 60 12.696 3.305 5.004 1.00 0.00 C ATOM 898 NZ LYS A 60 13.852 4.228 5.211 1.00 0.00 N ATOM 0 H LYS A 60 10.131 5.840 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 60 11.379 3.410 0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.627 5.877 1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.360 5.456 2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.631 3.492 2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.051 5.063 2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.210 4.852 4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.776 3.287 3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.273 3.022 5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.039 2.388 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.407 3.911 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.455 4.225 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.500 5.192 5.382 1.00 0.00 H new ATOM 912 N LEU A 61 8.422 3.481 1.742 1.00 0.00 N ATOM 913 CA LEU A 61 7.420 2.572 2.383 1.00 0.00 C ATOM 914 C LEU A 61 6.939 1.535 1.373 1.00 0.00 C ATOM 915 O LEU A 61 7.048 0.356 1.647 1.00 0.00 O ATOM 916 CB LEU A 61 6.270 3.446 2.899 1.00 0.00 C ATOM 917 CG LEU A 61 6.883 4.576 3.782 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.748 5.435 4.321 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.744 3.981 4.941 1.00 0.00 C ATOM 0 H LEU A 61 8.094 4.426 1.544 1.00 0.00 H new ATOM 0 HA LEU A 61 7.858 2.022 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.713 3.874 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.567 2.848 3.479 1.00 0.00 H new ATOM 0 HG LEU A 61 7.551 5.191 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.158 6.232 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.195 5.871 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.077 4.818 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.158 4.792 5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.119 3.348 5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.557 3.387 4.523 1.00 0.00 H new ATOM 931 N LYS A 62 6.422 1.980 0.255 1.00 0.00 N ATOM 932 CA LYS A 62 5.927 1.060 -0.819 1.00 0.00 C ATOM 933 C LYS A 62 6.953 -0.073 -0.968 1.00 0.00 C ATOM 934 O LYS A 62 6.619 -1.238 -0.959 1.00 0.00 O ATOM 935 CB LYS A 62 5.770 1.915 -2.100 1.00 0.00 C ATOM 936 CG LYS A 62 5.431 1.056 -3.339 1.00 0.00 C ATOM 937 CD LYS A 62 4.796 1.996 -4.393 1.00 0.00 C ATOM 938 CE LYS A 62 4.635 1.293 -5.749 1.00 0.00 C ATOM 939 NZ LYS A 62 5.961 1.129 -6.411 1.00 0.00 N ATOM 0 H LYS A 62 6.319 2.971 0.035 1.00 0.00 H new ATOM 0 HA LYS A 62 4.964 0.600 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.984 2.654 -1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.693 2.465 -2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.330 0.584 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.741 0.255 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.822 2.335 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.418 2.883 -4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.169 0.318 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.971 1.873 -6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.823 0.794 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.457 2.043 -6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.529 0.436 -5.883 1.00 0.00 H new ATOM 953 N GLU A 63 8.182 0.354 -1.089 1.00 0.00 N ATOM 954 CA GLU A 63 9.358 -0.536 -1.238 1.00 0.00 C ATOM 955 C GLU A 63 9.385 -1.564 -0.100 1.00 0.00 C ATOM 956 O GLU A 63 9.481 -2.752 -0.347 1.00 0.00 O ATOM 957 CB GLU A 63 10.625 0.397 -1.244 1.00 0.00 C ATOM 958 CG GLU A 63 11.978 -0.365 -1.141 1.00 0.00 C ATOM 959 CD GLU A 63 12.169 -0.963 0.276 1.00 0.00 C ATOM 960 OE1 GLU A 63 12.156 -0.177 1.213 1.00 0.00 O ATOM 961 OE2 GLU A 63 12.318 -2.172 0.345 1.00 0.00 O ATOM 0 H GLU A 63 8.424 1.345 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 63 9.326 -1.113 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.623 0.988 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.551 1.097 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.009 -1.162 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.800 0.314 -1.368 1.00 0.00 H new ATOM 968 N LYS A 64 9.294 -1.087 1.119 1.00 0.00 N ATOM 969 CA LYS A 64 9.326 -2.032 2.275 1.00 0.00 C ATOM 970 C LYS A 64 8.224 -3.089 2.145 1.00 0.00 C ATOM 971 O LYS A 64 8.470 -4.276 2.224 1.00 0.00 O ATOM 972 CB LYS A 64 9.138 -1.240 3.593 1.00 0.00 C ATOM 973 CG LYS A 64 9.614 -2.108 4.783 1.00 0.00 C ATOM 974 CD LYS A 64 11.165 -2.180 4.782 1.00 0.00 C ATOM 975 CE LYS A 64 11.639 -3.287 5.730 1.00 0.00 C ATOM 976 NZ LYS A 64 13.127 -3.329 5.737 1.00 0.00 N ATOM 0 H LYS A 64 9.200 -0.100 1.359 1.00 0.00 H new ATOM 0 HA LYS A 64 10.290 -2.540 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.706 -0.310 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.090 -0.969 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.259 -1.683 5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.193 -3.110 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.528 -2.374 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.582 -1.222 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.265 -3.103 6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.239 -4.250 5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.450 -4.080 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.473 -3.523 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.499 -2.413 6.060 1.00 0.00 H new ATOM 990 N TYR A 65 7.028 -2.608 1.933 1.00 0.00 N ATOM 991 CA TYR A 65 5.854 -3.506 1.788 1.00 0.00 C ATOM 992 C TYR A 65 6.142 -4.550 0.732 1.00 0.00 C ATOM 993 O TYR A 65 6.136 -5.725 1.024 1.00 0.00 O ATOM 994 CB TYR A 65 4.615 -2.603 1.434 1.00 0.00 C ATOM 995 CG TYR A 65 3.418 -3.391 0.838 1.00 0.00 C ATOM 996 CD1 TYR A 65 3.413 -3.757 -0.496 1.00 0.00 C ATOM 997 CD2 TYR A 65 2.331 -3.745 1.611 1.00 0.00 C ATOM 998 CE1 TYR A 65 2.358 -4.456 -1.041 1.00 0.00 C ATOM 999 CE2 TYR A 65 1.275 -4.446 1.072 1.00 0.00 C ATOM 1000 CZ TYR A 65 1.280 -4.808 -0.259 1.00 0.00 C ATOM 1001 OH TYR A 65 0.226 -5.510 -0.805 1.00 0.00 O ATOM 0 H TYR A 65 6.816 -1.614 1.853 1.00 0.00 H new ATOM 0 HA TYR A 65 5.638 -4.050 2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.285 -2.085 2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.926 -1.838 0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.252 -3.490 -1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.308 -3.468 2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.376 -4.729 -2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.436 -4.714 1.697 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.449 -5.677 -0.114 1.00 0.00 H new ATOM 1011 N GLU A 66 6.402 -4.104 -0.460 1.00 0.00 N ATOM 1012 CA GLU A 66 6.694 -5.043 -1.574 1.00 0.00 C ATOM 1013 C GLU A 66 7.697 -6.165 -1.272 1.00 0.00 C ATOM 1014 O GLU A 66 7.630 -7.215 -1.878 1.00 0.00 O ATOM 1015 CB GLU A 66 7.235 -4.291 -2.770 1.00 0.00 C ATOM 1016 CG GLU A 66 6.222 -3.239 -3.283 1.00 0.00 C ATOM 1017 CD GLU A 66 6.086 -3.303 -4.814 1.00 0.00 C ATOM 1018 OE1 GLU A 66 5.630 -4.338 -5.275 1.00 0.00 O ATOM 1019 OE2 GLU A 66 6.445 -2.317 -5.436 1.00 0.00 O ATOM 0 H GLU A 66 6.425 -3.116 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 66 5.729 -5.515 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.168 -3.797 -2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.467 -4.995 -3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.250 -3.410 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.546 -2.242 -2.985 1.00 0.00 H new ATOM 1026 N LYS A 67 8.594 -5.922 -0.352 1.00 0.00 N ATOM 1027 CA LYS A 67 9.618 -6.957 -0.001 1.00 0.00 C ATOM 1028 C LYS A 67 9.203 -7.905 1.107 1.00 0.00 C ATOM 1029 O LYS A 67 9.519 -9.078 1.086 1.00 0.00 O ATOM 1030 CB LYS A 67 10.919 -6.233 0.398 1.00 0.00 C ATOM 1031 CG LYS A 67 11.825 -6.052 -0.830 1.00 0.00 C ATOM 1032 CD LYS A 67 11.142 -5.247 -1.961 1.00 0.00 C ATOM 1033 CE LYS A 67 12.092 -5.185 -3.167 1.00 0.00 C ATOM 1034 NZ LYS A 67 11.436 -4.463 -4.296 1.00 0.00 N ATOM 0 H LYS A 67 8.664 -5.051 0.174 1.00 0.00 H new ATOM 0 HA LYS A 67 9.751 -7.583 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.684 -5.261 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.442 -6.806 1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.741 -5.543 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.115 -7.031 -1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.201 -5.719 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.903 -4.241 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.015 -4.678 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.364 -6.193 -3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.085 -4.425 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.567 -4.964 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.198 -3.495 -3.998 1.00 0.00 H new ATOM 1048 N ASP A 68 8.498 -7.342 2.032 1.00 0.00 N ATOM 1049 CA ASP A 68 8.000 -8.092 3.203 1.00 0.00 C ATOM 1050 C ASP A 68 6.689 -8.759 2.854 1.00 0.00 C ATOM 1051 O ASP A 68 6.235 -9.650 3.544 1.00 0.00 O ATOM 1052 CB ASP A 68 7.785 -7.131 4.341 1.00 0.00 C ATOM 1053 CG ASP A 68 9.124 -6.608 4.894 1.00 0.00 C ATOM 1054 OD1 ASP A 68 9.797 -5.911 4.148 1.00 0.00 O ATOM 1055 OD2 ASP A 68 9.399 -6.937 6.036 1.00 0.00 O ATOM 0 H ASP A 68 8.237 -6.356 2.024 1.00 0.00 H new ATOM 0 HA ASP A 68 8.726 -8.852 3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.177 -6.292 4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.229 -7.626 5.137 1.00 0.00 H new ATOM 1060 N ILE A 69 6.116 -8.309 1.775 1.00 0.00 N ATOM 1061 CA ILE A 69 4.828 -8.900 1.352 1.00 0.00 C ATOM 1062 C ILE A 69 5.243 -10.036 0.415 1.00 0.00 C ATOM 1063 O ILE A 69 4.685 -11.112 0.428 1.00 0.00 O ATOM 1064 CB ILE A 69 4.008 -7.781 0.659 1.00 0.00 C ATOM 1065 CG1 ILE A 69 2.494 -8.019 0.760 1.00 0.00 C ATOM 1066 CG2 ILE A 69 4.424 -7.557 -0.800 1.00 0.00 C ATOM 1067 CD1 ILE A 69 2.107 -9.503 0.719 1.00 0.00 C ATOM 0 H ILE A 69 6.481 -7.567 1.177 1.00 0.00 H new ATOM 0 HA ILE A 69 4.196 -9.290 2.149 1.00 0.00 H new ATOM 0 HB ILE A 69 4.240 -6.868 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.126 -7.581 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.996 -7.499 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.816 -6.763 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.475 -7.272 -0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.276 -8.477 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.024 -9.599 0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.445 -9.941 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.577 -10.025 1.553 1.00 0.00 H new ATOM 1079 N ALA A 70 6.239 -9.751 -0.376 1.00 0.00 N ATOM 1080 CA ALA A 70 6.761 -10.760 -1.339 1.00 0.00 C ATOM 1081 C ALA A 70 7.351 -11.894 -0.489 1.00 0.00 C ATOM 1082 O ALA A 70 7.372 -13.039 -0.891 1.00 0.00 O ATOM 1083 CB ALA A 70 7.852 -10.135 -2.213 1.00 0.00 C ATOM 0 H ALA A 70 6.719 -8.851 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 70 5.976 -11.125 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.228 -10.880 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.437 -9.293 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.669 -9.787 -1.581 1.00 0.00 H new ATOM 1089 N ALA A 71 7.802 -11.507 0.680 1.00 0.00 N ATOM 1090 CA ALA A 71 8.409 -12.477 1.630 1.00 0.00 C ATOM 1091 C ALA A 71 7.268 -13.202 2.331 1.00 0.00 C ATOM 1092 O ALA A 71 7.361 -14.384 2.587 1.00 0.00 O ATOM 1093 CB ALA A 71 9.262 -11.736 2.666 1.00 0.00 C ATOM 0 H ALA A 71 7.772 -10.544 1.016 1.00 0.00 H new ATOM 0 HA ALA A 71 9.050 -13.181 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.702 -12.455 3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.056 -11.188 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.636 -11.037 3.220 1.00 0.00 H new ATOM 1099 N TYR A 72 6.224 -12.468 2.624 1.00 0.00 N ATOM 1100 CA TYR A 72 5.034 -13.063 3.310 1.00 0.00 C ATOM 1101 C TYR A 72 4.398 -14.176 2.463 1.00 0.00 C ATOM 1102 O TYR A 72 4.102 -15.251 2.949 1.00 0.00 O ATOM 1103 CB TYR A 72 4.025 -11.941 3.559 1.00 0.00 C ATOM 1104 CG TYR A 72 2.656 -12.492 3.986 1.00 0.00 C ATOM 1105 CD1 TYR A 72 2.456 -13.008 5.247 1.00 0.00 C ATOM 1106 CD2 TYR A 72 1.602 -12.478 3.094 1.00 0.00 C ATOM 1107 CE1 TYR A 72 1.222 -13.501 5.616 1.00 0.00 C ATOM 1108 CE2 TYR A 72 0.368 -12.972 3.460 1.00 0.00 C ATOM 1109 CZ TYR A 72 0.169 -13.487 4.726 1.00 0.00 C ATOM 1110 OH TYR A 72 -1.065 -13.980 5.099 1.00 0.00 O ATOM 0 H TYR A 72 6.144 -11.473 2.416 1.00 0.00 H new ATOM 0 HA TYR A 72 5.344 -13.515 4.252 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.406 -11.274 4.332 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.911 -11.346 2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.273 -13.027 5.953 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.745 -12.077 2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.079 -13.901 6.609 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.448 -12.956 2.753 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.692 -13.892 4.351 1.00 0.00 H new ATOM 1120 N ARG A 73 4.216 -13.865 1.208 1.00 0.00 N ATOM 1121 CA ARG A 73 3.605 -14.820 0.246 1.00 0.00 C ATOM 1122 C ARG A 73 4.572 -15.956 -0.041 1.00 0.00 C ATOM 1123 O ARG A 73 4.173 -17.046 -0.404 1.00 0.00 O ATOM 1124 CB ARG A 73 3.276 -14.093 -1.072 1.00 0.00 C ATOM 1125 CG ARG A 73 2.209 -13.000 -0.849 1.00 0.00 C ATOM 1126 CD ARG A 73 1.880 -12.317 -2.192 1.00 0.00 C ATOM 1127 NE ARG A 73 1.252 -13.331 -3.095 1.00 0.00 N ATOM 1128 CZ ARG A 73 1.806 -13.633 -4.240 1.00 0.00 C ATOM 1129 NH1 ARG A 73 1.799 -12.751 -5.200 1.00 0.00 N ATOM 1130 NH2 ARG A 73 2.349 -14.811 -4.381 1.00 0.00 N ATOM 0 H ARG A 73 4.473 -12.965 0.802 1.00 0.00 H new ATOM 0 HA ARG A 73 2.690 -15.222 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.182 -13.644 -1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.917 -14.812 -1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.307 -13.439 -0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.573 -12.262 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.203 -11.478 -2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.786 -11.915 -2.645 1.00 0.00 H new ATOM 0 HE ARG A 73 0.385 -13.790 -2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.365 -11.840 -5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.227 -12.972 -6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.336 -15.475 -3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.787 -15.068 -5.266 1.00 0.00 H new ATOM 1144 N ALA A 74 5.822 -15.637 0.142 1.00 0.00 N ATOM 1145 CA ALA A 74 6.902 -16.628 -0.097 1.00 0.00 C ATOM 1146 C ALA A 74 7.355 -17.317 1.197 1.00 0.00 C ATOM 1147 O ALA A 74 8.152 -18.235 1.147 1.00 0.00 O ATOM 1148 CB ALA A 74 8.055 -15.880 -0.745 1.00 0.00 C ATOM 0 H ALA A 74 6.143 -14.720 0.451 1.00 0.00 H new ATOM 0 HA ALA A 74 6.536 -17.424 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.874 -16.572 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.721 -15.440 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.398 -15.090 -0.076 1.00 0.00 H new ATOM 1154 N LYS A 75 6.844 -16.862 2.316 1.00 0.00 N ATOM 1155 CA LYS A 75 7.243 -17.479 3.619 1.00 0.00 C ATOM 1156 C LYS A 75 6.172 -17.280 4.707 1.00 0.00 C ATOM 1157 O LYS A 75 6.455 -16.840 5.805 1.00 0.00 O ATOM 1158 CB LYS A 75 8.600 -16.848 4.014 1.00 0.00 C ATOM 1159 CG LYS A 75 9.258 -17.665 5.157 1.00 0.00 C ATOM 1160 CD LYS A 75 10.793 -17.437 5.156 1.00 0.00 C ATOM 1161 CE LYS A 75 11.517 -18.583 4.394 1.00 0.00 C ATOM 1162 NZ LYS A 75 11.015 -18.745 2.996 1.00 0.00 N ATOM 0 H LYS A 75 6.173 -16.096 2.383 1.00 0.00 H new ATOM 0 HA LYS A 75 7.340 -18.560 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.262 -16.821 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.451 -15.817 4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.838 -17.366 6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.039 -18.725 5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.023 -16.480 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.159 -17.387 6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.588 -18.380 4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.381 -19.519 4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.595 -19.450 2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.025 -19.064 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.074 -17.834 2.498 1.00 0.00 H new ATOM 1176 N GLY A 76 4.963 -17.613 4.350 1.00 0.00 N ATOM 1177 CA GLY A 76 3.801 -17.500 5.270 1.00 0.00 C ATOM 1178 C GLY A 76 3.027 -18.810 5.142 1.00 0.00 C ATOM 1179 O GLY A 76 2.802 -19.528 6.097 1.00 0.00 O ATOM 0 H GLY A 76 4.727 -17.971 3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.131 -17.342 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.174 -16.650 5.002 1.00 0.00 H new ATOM 1183 N LYS A 77 2.667 -19.040 3.908 1.00 0.00 N ATOM 1184 CA LYS A 77 1.901 -20.245 3.490 1.00 0.00 C ATOM 1185 C LYS A 77 2.719 -21.553 3.606 1.00 0.00 C ATOM 1186 O LYS A 77 2.150 -22.541 4.028 1.00 0.00 O ATOM 1187 CB LYS A 77 1.429 -20.042 2.024 1.00 0.00 C ATOM 1188 CG LYS A 77 0.575 -18.747 1.889 1.00 0.00 C ATOM 1189 CD LYS A 77 -0.772 -18.889 2.648 1.00 0.00 C ATOM 1190 CE LYS A 77 -1.549 -17.559 2.604 1.00 0.00 C ATOM 1191 NZ LYS A 77 -0.801 -16.492 3.333 1.00 0.00 N ATOM 0 H LYS A 77 2.886 -18.408 3.138 1.00 0.00 H new ATOM 0 HA LYS A 77 1.052 -20.354 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.295 -19.982 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.843 -20.904 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.131 -17.897 2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.384 -18.541 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.369 -19.683 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.586 -19.176 3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.707 -17.258 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.534 -17.691 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.475 -15.848 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.190 -16.927 4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.216 -15.957 2.660 1.00 0.00 H new ATOM 1205 N PRO A 78 3.992 -21.568 3.246 1.00 0.00 N ATOM 1206 CA PRO A 78 4.845 -22.788 3.338 1.00 0.00 C ATOM 1207 C PRO A 78 5.365 -23.030 4.778 1.00 0.00 C ATOM 1208 O PRO A 78 6.551 -23.172 5.009 1.00 0.00 O ATOM 1209 CB PRO A 78 5.977 -22.532 2.309 1.00 0.00 C ATOM 1210 CG PRO A 78 5.568 -21.208 1.597 1.00 0.00 C ATOM 1211 CD PRO A 78 4.785 -20.451 2.670 1.00 0.00 C ATOM 0 HA PRO A 78 4.299 -23.704 3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.945 -22.435 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.061 -23.355 1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.440 -20.645 1.265 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.957 -21.399 0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.436 -19.979 3.406 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.156 -19.666 2.251 1.00 0.00 H new ATOM 1219 N ASP A 79 4.433 -23.070 5.700 1.00 0.00 N ATOM 1220 CA ASP A 79 4.723 -23.300 7.153 1.00 0.00 C ATOM 1221 C ASP A 79 5.850 -22.433 7.752 1.00 0.00 C ATOM 1222 O ASP A 79 6.982 -22.861 7.873 1.00 0.00 O ATOM 1223 CB ASP A 79 5.062 -24.805 7.342 1.00 0.00 C ATOM 1224 CG ASP A 79 3.853 -25.682 6.955 1.00 0.00 C ATOM 1225 OD1 ASP A 79 3.509 -25.674 5.784 1.00 0.00 O ATOM 1226 OD2 ASP A 79 3.331 -26.315 7.860 1.00 0.00 O ATOM 0 H ASP A 79 3.441 -22.947 5.495 1.00 0.00 H new ATOM 0 HA ASP A 79 3.828 -23.000 7.697 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.923 -25.070 6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.339 -24.994 8.379 1.00 0.00 H new ATOM 1231 N ALA A 80 5.483 -21.223 8.101 1.00 0.00 N ATOM 1232 CA ALA A 80 6.447 -20.244 8.703 1.00 0.00 C ATOM 1233 C ALA A 80 5.975 -19.815 10.102 1.00 0.00 C ATOM 1234 O ALA A 80 6.775 -19.655 11.004 1.00 0.00 O ATOM 1235 CB ALA A 80 6.542 -19.025 7.793 1.00 0.00 C ATOM 0 H ALA A 80 4.534 -20.864 7.992 1.00 0.00 H new ATOM 0 HA ALA A 80 7.426 -20.714 8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.240 -18.305 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.895 -19.332 6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.559 -18.564 7.698 1.00 0.00 H new ATOM 1241 N ALA A 81 4.682 -19.644 10.230 1.00 0.00 N ATOM 1242 CA ALA A 81 4.077 -19.222 11.536 1.00 0.00 C ATOM 1243 C ALA A 81 3.632 -20.446 12.370 1.00 0.00 C ATOM 1244 O ALA A 81 3.747 -21.547 11.853 1.00 0.00 O ATOM 1245 CB ALA A 81 2.869 -18.321 11.229 1.00 0.00 C ATOM 1246 OXT ALA A 81 3.197 -20.210 13.486 1.00 0.00 O ATOM 0 H ALA A 81 4.009 -19.780 9.475 1.00 0.00 H new ATOM 0 HA ALA A 81 4.819 -18.682 12.124 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.409 -17.999 12.163 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.200 -17.447 10.667 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.141 -18.877 10.639 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -8.210 11.012 -0.233 1.00 0.00 C HETATM 1254 C2 BME A 82 -7.426 10.327 0.905 1.00 0.00 C HETATM 1255 O1 BME A 82 -7.286 11.898 -0.850 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.721 11.339 2.236 1.00 0.00 S HETATM 0 HO1 BME A 82 -7.726 12.367 -1.589 1.00 0.00 H new HETATM 0 H22 BME A 82 -8.091 9.597 1.366 1.00 0.00 H new HETATM 0 H21 BME A 82 -6.608 9.770 0.449 1.00 0.00 H new HETATM 0 H12 BME A 82 -8.587 10.279 -0.946 1.00 0.00 H new HETATM 0 H11 BME A 82 -9.073 11.553 0.155 1.00 0.00 H new