USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 THR OG1 : rot 180:sc= -0.949 USER MOD Set 1.2: A 71 THR OG1 : rot 60:sc= 2 USER MOD Set 2.1: A 50 MET CE :methyl -175:sc= -0.321 (180deg=-0.341) USER MOD Set 2.2: A 54 SER OG : rot -150:sc= 0.0567 USER MOD Single : A 1 MET CE :methyl 165:sc= 0 (180deg=-0.0122) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0291 (180deg=-0.159) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 5 TYR OH : rot -44:sc= 0.739 USER MOD Single : A 8 ASN : amide:sc= -0.356 K(o=-0.36,f=-2.4) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 59:sc=0.000732 USER MOD Single : A 14 THR OG1 : rot 170:sc= -0.599 USER MOD Single : A 15 SER OG : rot -120:sc= -0.436 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -71:sc= 0.241 USER MOD Single : A 24 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.48) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0558 X(o=-0.056,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= -0.0491 (180deg=-0.475) USER MOD Single : A 64 ASN : amide:sc= -0.378 K(o=-0.38,f=-2.9!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0721 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.054 5.452 -14.958 1.00 0.00 N ATOM 2 CA MET A 1 2.649 4.333 -14.180 1.00 0.00 C ATOM 3 C MET A 1 3.618 4.850 -13.121 1.00 0.00 C ATOM 4 O MET A 1 4.730 5.272 -13.437 1.00 0.00 O ATOM 5 CB MET A 1 3.376 3.398 -15.149 1.00 0.00 C ATOM 6 CG MET A 1 4.020 2.201 -14.471 1.00 0.00 C ATOM 7 SD MET A 1 5.135 1.299 -15.564 1.00 0.00 S ATOM 8 CE MET A 1 6.350 0.703 -14.392 1.00 0.00 C ATOM 0 H1 MET A 1 1.258 5.096 -15.525 1.00 0.00 H new ATOM 0 H2 MET A 1 1.713 6.186 -14.305 1.00 0.00 H new ATOM 0 H3 MET A 1 2.774 5.857 -15.589 1.00 0.00 H new ATOM 0 HA MET A 1 1.854 3.795 -13.663 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.668 3.043 -15.898 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.144 3.962 -15.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.572 2.539 -13.594 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.241 1.526 -14.117 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.949 -0.081 -14.856 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.999 1.525 -14.091 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.843 0.301 -13.515 1.00 0.00 H new ATOM 20 N ARG A 2 3.187 4.813 -11.864 1.00 0.00 N ATOM 21 CA ARG A 2 4.016 5.277 -10.758 1.00 0.00 C ATOM 22 C ARG A 2 4.059 4.241 -9.640 1.00 0.00 C ATOM 23 O ARG A 2 3.205 3.359 -9.564 1.00 0.00 O ATOM 24 CB ARG A 2 3.485 6.606 -10.219 1.00 0.00 C ATOM 25 CG ARG A 2 3.443 7.712 -11.260 1.00 0.00 C ATOM 26 CD ARG A 2 4.817 8.323 -11.477 1.00 0.00 C ATOM 27 NE ARG A 2 4.735 9.716 -11.910 1.00 0.00 N ATOM 28 CZ ARG A 2 4.504 10.736 -11.087 1.00 0.00 C ATOM 29 NH1 ARG A 2 4.332 10.524 -9.789 1.00 0.00 N ATOM 30 NH2 ARG A 2 4.445 11.973 -11.564 1.00 0.00 N ATOM 0 H ARG A 2 2.269 4.467 -11.586 1.00 0.00 H new ATOM 0 HA ARG A 2 5.029 5.424 -11.131 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.481 6.453 -9.823 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.110 6.926 -9.386 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.068 7.312 -12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.745 8.486 -10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.390 8.264 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.358 7.742 -12.224 1.00 0.00 H new ATOM 0 HE ARG A 2 4.862 9.919 -12.902 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.377 9.575 -9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.155 11.310 -9.163 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.577 12.142 -12.561 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.268 12.755 -10.933 1.00 0.00 H new ATOM 44 N ASN A 3 5.061 4.356 -8.773 1.00 0.00 N ATOM 45 CA ASN A 3 5.216 3.430 -7.658 1.00 0.00 C ATOM 46 C ASN A 3 4.758 4.070 -6.352 1.00 0.00 C ATOM 47 O ASN A 3 5.304 5.086 -5.922 1.00 0.00 O ATOM 48 CB ASN A 3 6.674 2.983 -7.539 1.00 0.00 C ATOM 49 CG ASN A 3 7.195 2.365 -8.822 1.00 0.00 C ATOM 50 OD1 ASN A 3 6.421 1.930 -9.674 1.00 0.00 O ATOM 51 ND2 ASN A 3 8.515 2.323 -8.964 1.00 0.00 N ATOM 0 H ASN A 3 5.777 5.081 -8.822 1.00 0.00 H new ATOM 0 HA ASN A 3 4.591 2.558 -7.852 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.293 3.840 -7.274 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.765 2.261 -6.728 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.925 1.918 -9.806 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.119 2.696 -8.231 1.00 0.00 H new ATOM 58 N ILE A 4 3.751 3.470 -5.725 1.00 0.00 N ATOM 59 CA ILE A 4 3.218 3.982 -4.469 1.00 0.00 C ATOM 60 C ILE A 4 3.893 3.319 -3.273 1.00 0.00 C ATOM 61 O ILE A 4 4.020 2.096 -3.218 1.00 0.00 O ATOM 62 CB ILE A 4 1.697 3.762 -4.371 1.00 0.00 C ATOM 63 CG1 ILE A 4 1.005 4.243 -5.648 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.134 4.482 -3.154 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.365 3.636 -5.858 1.00 0.00 C ATOM 0 H ILE A 4 3.288 2.628 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 4 3.425 5.052 -4.453 1.00 0.00 H new ATOM 0 HB ILE A 4 1.507 2.695 -4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.911 5.328 -5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.635 4.004 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.058 4.317 -3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.607 4.095 -2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.333 5.550 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.796 4.022 -6.782 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.276 2.552 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.011 3.897 -5.020 1.00 0.00 H new ATOM 77 N TYR A 5 4.324 4.135 -2.316 1.00 0.00 N ATOM 78 CA TYR A 5 4.985 3.629 -1.119 1.00 0.00 C ATOM 79 C TYR A 5 4.106 3.828 0.112 1.00 0.00 C ATOM 80 O TYR A 5 3.656 4.938 0.392 1.00 0.00 O ATOM 81 CB TYR A 5 6.330 4.331 -0.920 1.00 0.00 C ATOM 82 CG TYR A 5 7.090 3.856 0.297 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.850 2.694 0.256 1.00 0.00 C ATOM 84 CD2 TYR A 5 7.049 4.571 1.488 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.546 2.256 1.367 1.00 0.00 C ATOM 86 CE2 TYR A 5 7.743 4.141 2.603 1.00 0.00 C ATOM 87 CZ TYR A 5 8.489 2.983 2.538 1.00 0.00 C ATOM 88 OH TYR A 5 9.182 2.551 3.646 1.00 0.00 O ATOM 0 H TYR A 5 4.227 5.150 -2.347 1.00 0.00 H new ATOM 0 HA TYR A 5 5.157 2.561 -1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.946 4.175 -1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.160 5.404 -0.835 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.898 2.123 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.465 5.478 1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.131 1.350 1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.701 4.709 3.521 1.00 0.00 H new ATOM 0 HH TYR A 5 9.057 1.585 3.754 1.00 0.00 H new ATOM 98 N VAL A 6 3.862 2.744 0.841 1.00 0.00 N ATOM 99 CA VAL A 6 3.035 2.801 2.040 1.00 0.00 C ATOM 100 C VAL A 6 3.717 2.105 3.214 1.00 0.00 C ATOM 101 O VAL A 6 4.413 1.105 3.036 1.00 0.00 O ATOM 102 CB VAL A 6 1.655 2.157 1.802 1.00 0.00 C ATOM 103 CG1 VAL A 6 1.802 0.686 1.441 1.00 0.00 C ATOM 104 CG2 VAL A 6 0.764 2.328 3.024 1.00 0.00 C ATOM 0 H VAL A 6 4.225 1.816 0.622 1.00 0.00 H new ATOM 0 HA VAL A 6 2.898 3.855 2.280 1.00 0.00 H new ATOM 0 HB VAL A 6 1.181 2.666 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.816 0.251 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.395 0.592 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.300 0.160 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.205 1.866 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.232 1.850 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.627 3.390 3.228 1.00 0.00 H new ATOM 114 N GLY A 7 3.513 2.641 4.413 1.00 0.00 N ATOM 115 CA GLY A 7 4.115 2.060 5.598 1.00 0.00 C ATOM 116 C GLY A 7 3.083 1.652 6.632 1.00 0.00 C ATOM 117 O GLY A 7 1.880 1.727 6.380 1.00 0.00 O ATOM 0 H GLY A 7 2.941 3.468 4.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.703 1.188 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.804 2.779 6.041 1.00 0.00 H new ATOM 121 N ASN A 8 3.554 1.219 7.797 1.00 0.00 N ATOM 122 CA ASN A 8 2.664 0.799 8.872 1.00 0.00 C ATOM 123 C ASN A 8 1.793 -0.375 8.430 1.00 0.00 C ATOM 124 O ASN A 8 0.599 -0.421 8.728 1.00 0.00 O ATOM 125 CB ASN A 8 1.780 1.966 9.317 1.00 0.00 C ATOM 126 CG ASN A 8 1.072 1.688 10.628 1.00 0.00 C ATOM 127 OD1 ASN A 8 1.169 0.591 11.180 1.00 0.00 O ATOM 128 ND2 ASN A 8 0.353 2.682 11.136 1.00 0.00 N ATOM 0 H ASN A 8 4.547 1.150 8.020 1.00 0.00 H new ATOM 0 HA ASN A 8 3.278 0.477 9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.391 2.862 9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.040 2.173 8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.146 2.553 12.016 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.300 3.575 10.646 1.00 0.00 H new ATOM 135 N LEU A 9 2.399 -1.321 7.720 1.00 0.00 N ATOM 136 CA LEU A 9 1.678 -2.494 7.239 1.00 0.00 C ATOM 137 C LEU A 9 2.012 -3.721 8.081 1.00 0.00 C ATOM 138 O LEU A 9 2.784 -3.641 9.035 1.00 0.00 O ATOM 139 CB LEU A 9 2.016 -2.760 5.771 1.00 0.00 C ATOM 140 CG LEU A 9 1.343 -1.819 4.769 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.666 -2.238 3.344 1.00 0.00 C ATOM 142 CD2 LEU A 9 -0.162 -1.793 4.992 1.00 0.00 C ATOM 0 H LEU A 9 3.386 -1.298 7.465 1.00 0.00 H new ATOM 0 HA LEU A 9 0.610 -2.295 7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.096 -2.688 5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.734 -3.785 5.529 1.00 0.00 H new ATOM 0 HG LEU A 9 1.731 -0.813 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.179 -1.558 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.745 -2.205 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.306 -3.253 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.625 -1.119 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.566 -2.797 4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.374 -1.444 6.003 1.00 0.00 H new ATOM 154 N VAL A 10 1.422 -4.856 7.720 1.00 0.00 N ATOM 155 CA VAL A 10 1.654 -6.102 8.441 1.00 0.00 C ATOM 156 C VAL A 10 0.988 -7.276 7.724 1.00 0.00 C ATOM 157 O VAL A 10 0.216 -7.081 6.786 1.00 0.00 O ATOM 158 CB VAL A 10 1.139 -6.006 9.897 1.00 0.00 C ATOM 159 CG1 VAL A 10 -0.378 -6.097 9.952 1.00 0.00 C ATOM 160 CG2 VAL A 10 1.779 -7.079 10.766 1.00 0.00 C ATOM 0 H VAL A 10 0.779 -4.938 6.932 1.00 0.00 H new ATOM 0 HA VAL A 10 2.730 -6.274 8.467 1.00 0.00 H new ATOM 0 HB VAL A 10 1.427 -5.031 10.290 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.709 -6.027 10.988 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.813 -5.280 9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.701 -7.050 9.532 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.403 -6.994 11.786 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.532 -8.064 10.369 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.861 -6.949 10.766 1.00 0.00 H new ATOM 170 N TYR A 11 1.301 -8.495 8.164 1.00 0.00 N ATOM 171 CA TYR A 11 0.743 -9.708 7.563 1.00 0.00 C ATOM 172 C TYR A 11 -0.737 -9.542 7.215 1.00 0.00 C ATOM 173 O TYR A 11 -1.201 -10.041 6.190 1.00 0.00 O ATOM 174 CB TYR A 11 0.921 -10.894 8.512 1.00 0.00 C ATOM 175 CG TYR A 11 1.225 -12.196 7.806 1.00 0.00 C ATOM 176 CD1 TYR A 11 0.371 -12.696 6.831 1.00 0.00 C ATOM 177 CD2 TYR A 11 2.366 -12.926 8.115 1.00 0.00 C ATOM 178 CE1 TYR A 11 0.646 -13.886 6.183 1.00 0.00 C ATOM 179 CE2 TYR A 11 2.648 -14.117 7.472 1.00 0.00 C ATOM 180 CZ TYR A 11 1.785 -14.592 6.508 1.00 0.00 C ATOM 181 OH TYR A 11 2.062 -15.776 5.865 1.00 0.00 O ATOM 0 H TYR A 11 1.941 -8.670 8.939 1.00 0.00 H new ATOM 0 HA TYR A 11 1.285 -9.894 6.636 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.729 -10.672 9.210 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.013 -11.015 9.103 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.523 -12.146 6.575 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.044 -12.557 8.870 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.028 -14.261 5.426 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.540 -14.672 7.724 1.00 0.00 H new ATOM 0 HH TYR A 11 2.901 -16.147 6.209 1.00 0.00 H new ATOM 191 N SER A 12 -1.473 -8.840 8.072 1.00 0.00 N ATOM 192 CA SER A 12 -2.896 -8.615 7.847 1.00 0.00 C ATOM 193 C SER A 12 -3.307 -7.213 8.288 1.00 0.00 C ATOM 194 O SER A 12 -4.221 -7.048 9.098 1.00 0.00 O ATOM 195 CB SER A 12 -3.723 -9.665 8.594 1.00 0.00 C ATOM 196 OG SER A 12 -3.322 -9.759 9.950 1.00 0.00 O ATOM 0 H SER A 12 -1.108 -8.419 8.926 1.00 0.00 H new ATOM 0 HA SER A 12 -3.087 -8.705 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.780 -9.405 8.541 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.609 -10.635 8.110 1.00 0.00 H new ATOM 0 HG SER A 12 -3.429 -8.887 10.384 1.00 0.00 H new ATOM 202 N ALA A 13 -2.625 -6.206 7.752 1.00 0.00 N ATOM 203 CA ALA A 13 -2.918 -4.818 8.093 1.00 0.00 C ATOM 204 C ALA A 13 -4.171 -4.327 7.376 1.00 0.00 C ATOM 205 O ALA A 13 -5.207 -4.105 8.001 1.00 0.00 O ATOM 206 CB ALA A 13 -1.731 -3.930 7.750 1.00 0.00 C ATOM 0 H ALA A 13 -1.866 -6.325 7.080 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.102 -4.765 9.166 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.963 -2.897 8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.857 -4.258 8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.522 -3.998 6.682 1.00 0.00 H new ATOM 212 N THR A 14 -4.068 -4.159 6.062 1.00 0.00 N ATOM 213 CA THR A 14 -5.195 -3.691 5.260 1.00 0.00 C ATOM 214 C THR A 14 -4.812 -3.590 3.787 1.00 0.00 C ATOM 215 O THR A 14 -5.626 -3.862 2.904 1.00 0.00 O ATOM 216 CB THR A 14 -5.685 -2.332 5.768 1.00 0.00 C ATOM 217 OG1 THR A 14 -4.730 -1.744 6.633 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.996 -2.414 6.521 1.00 0.00 C ATOM 0 H THR A 14 -3.217 -4.339 5.529 1.00 0.00 H new ATOM 0 HA THR A 14 -6.002 -4.418 5.357 1.00 0.00 H new ATOM 0 HB THR A 14 -5.833 -1.726 4.874 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.984 -0.816 6.818 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.287 -1.418 6.854 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.768 -2.818 5.865 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.878 -3.066 7.387 1.00 0.00 H new ATOM 226 N SER A 15 -3.569 -3.194 3.525 1.00 0.00 N ATOM 227 CA SER A 15 -3.081 -3.055 2.156 1.00 0.00 C ATOM 228 C SER A 15 -3.318 -4.332 1.357 1.00 0.00 C ATOM 229 O SER A 15 -3.883 -4.298 0.265 1.00 0.00 O ATOM 230 CB SER A 15 -1.592 -2.704 2.154 1.00 0.00 C ATOM 231 OG SER A 15 -1.398 -1.303 2.063 1.00 0.00 O ATOM 0 H SER A 15 -2.882 -2.964 4.243 1.00 0.00 H new ATOM 0 HA SER A 15 -3.637 -2.246 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.125 -3.080 3.064 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.100 -3.198 1.316 1.00 0.00 H new ATOM 0 HG SER A 15 -0.883 -1.096 1.256 1.00 0.00 H new ATOM 237 N GLU A 16 -2.889 -5.459 1.913 1.00 0.00 N ATOM 238 CA GLU A 16 -3.063 -6.747 1.253 1.00 0.00 C ATOM 239 C GLU A 16 -4.542 -7.121 1.169 1.00 0.00 C ATOM 240 O GLU A 16 -4.921 -8.025 0.425 1.00 0.00 O ATOM 241 CB GLU A 16 -2.291 -7.836 2.000 1.00 0.00 C ATOM 242 CG GLU A 16 -2.798 -8.080 3.413 1.00 0.00 C ATOM 243 CD GLU A 16 -3.330 -9.486 3.609 1.00 0.00 C ATOM 244 OE1 GLU A 16 -2.645 -10.444 3.195 1.00 0.00 O ATOM 245 OE2 GLU A 16 -4.434 -9.629 4.177 1.00 0.00 O ATOM 0 H GLU A 16 -2.419 -5.507 2.817 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.670 -6.663 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.353 -8.766 1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.238 -7.559 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.989 -7.900 4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.586 -7.363 3.641 1.00 0.00 H new ATOM 252 N GLN A 17 -5.374 -6.421 1.937 1.00 0.00 N ATOM 253 CA GLN A 17 -6.809 -6.682 1.946 1.00 0.00 C ATOM 254 C GLN A 17 -7.529 -5.833 0.904 1.00 0.00 C ATOM 255 O GLN A 17 -8.545 -6.247 0.345 1.00 0.00 O ATOM 256 CB GLN A 17 -7.387 -6.406 3.335 1.00 0.00 C ATOM 257 CG GLN A 17 -8.882 -6.667 3.436 1.00 0.00 C ATOM 258 CD GLN A 17 -9.636 -5.514 4.068 1.00 0.00 C ATOM 259 OE1 GLN A 17 -9.805 -4.458 3.458 1.00 0.00 O ATOM 260 NE2 GLN A 17 -10.094 -5.710 5.299 1.00 0.00 N ATOM 0 H GLN A 17 -5.078 -5.670 2.560 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.962 -7.732 1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.868 -7.027 4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.189 -5.368 3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.282 -6.855 2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.050 -7.570 4.022 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.931 -6.601 5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.609 -4.969 5.776 1.00 0.00 H new ATOM 269 N VAL A 18 -7.002 -4.638 0.652 1.00 0.00 N ATOM 270 CA VAL A 18 -7.601 -3.727 -0.316 1.00 0.00 C ATOM 271 C VAL A 18 -7.075 -3.981 -1.727 1.00 0.00 C ATOM 272 O VAL A 18 -7.743 -3.666 -2.712 1.00 0.00 O ATOM 273 CB VAL A 18 -7.341 -2.256 0.064 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.848 -1.958 0.083 1.00 0.00 C ATOM 275 CG2 VAL A 18 -8.069 -1.318 -0.889 1.00 0.00 C ATOM 0 H VAL A 18 -6.162 -4.279 1.105 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.674 -3.917 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.731 -2.090 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.689 -0.914 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.358 -2.601 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.427 -2.145 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.872 -0.285 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.716 -1.487 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.141 -1.510 -0.841 1.00 0.00 H new ATOM 285 N LYS A 19 -5.876 -4.550 -1.823 1.00 0.00 N ATOM 286 CA LYS A 19 -5.271 -4.839 -3.120 1.00 0.00 C ATOM 287 C LYS A 19 -6.211 -5.671 -3.989 1.00 0.00 C ATOM 288 O LYS A 19 -6.170 -5.592 -5.217 1.00 0.00 O ATOM 289 CB LYS A 19 -3.940 -5.569 -2.941 1.00 0.00 C ATOM 290 CG LYS A 19 -4.078 -6.941 -2.305 1.00 0.00 C ATOM 291 CD LYS A 19 -2.977 -7.882 -2.764 1.00 0.00 C ATOM 292 CE LYS A 19 -3.343 -9.335 -2.508 1.00 0.00 C ATOM 293 NZ LYS A 19 -2.136 -10.186 -2.315 1.00 0.00 N ATOM 0 H LYS A 19 -5.306 -4.819 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.088 -3.889 -3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.460 -5.676 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.280 -4.958 -2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.046 -6.845 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.049 -7.365 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.791 -7.735 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.051 -7.642 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.978 -9.399 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.925 -9.716 -3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.428 -11.169 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.543 -10.145 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.593 -9.839 -1.499 1.00 0.00 H new ATOM 307 N GLU A 20 -7.059 -6.466 -3.344 1.00 0.00 N ATOM 308 CA GLU A 20 -8.012 -7.307 -4.059 1.00 0.00 C ATOM 309 C GLU A 20 -9.120 -6.460 -4.676 1.00 0.00 C ATOM 310 O GLU A 20 -9.631 -6.775 -5.750 1.00 0.00 O ATOM 311 CB GLU A 20 -8.614 -8.349 -3.114 1.00 0.00 C ATOM 312 CG GLU A 20 -9.371 -7.743 -1.944 1.00 0.00 C ATOM 313 CD GLU A 20 -10.874 -7.809 -2.124 1.00 0.00 C ATOM 314 OE1 GLU A 20 -11.404 -7.058 -2.970 1.00 0.00 O ATOM 315 OE2 GLU A 20 -11.523 -8.611 -1.419 1.00 0.00 O ATOM 0 H GLU A 20 -7.106 -6.545 -2.328 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.481 -7.821 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.289 -8.993 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.815 -8.984 -2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.095 -8.266 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.069 -6.703 -1.821 1.00 0.00 H new ATOM 322 N LEU A 21 -9.483 -5.382 -3.988 1.00 0.00 N ATOM 323 CA LEU A 21 -10.529 -4.485 -4.467 1.00 0.00 C ATOM 324 C LEU A 21 -9.939 -3.378 -5.335 1.00 0.00 C ATOM 325 O LEU A 21 -10.606 -2.855 -6.229 1.00 0.00 O ATOM 326 CB LEU A 21 -11.285 -3.873 -3.286 1.00 0.00 C ATOM 327 CG LEU A 21 -12.372 -2.866 -3.664 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.559 -2.981 -2.721 1.00 0.00 C ATOM 329 CD2 LEU A 21 -11.814 -1.451 -3.651 1.00 0.00 C ATOM 0 H LEU A 21 -9.068 -5.108 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.224 -5.067 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.742 -4.678 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.567 -3.380 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.714 -3.092 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.322 -2.256 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.974 -3.987 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.233 -2.782 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.601 -0.747 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.444 -1.215 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.997 -1.376 -4.368 1.00 0.00 H new ATOM 341 N PHE A 22 -8.685 -3.026 -5.068 1.00 0.00 N ATOM 342 CA PHE A 22 -8.003 -1.981 -5.824 1.00 0.00 C ATOM 343 C PHE A 22 -8.006 -2.296 -7.319 1.00 0.00 C ATOM 344 O PHE A 22 -7.942 -1.393 -8.153 1.00 0.00 O ATOM 345 CB PHE A 22 -6.565 -1.818 -5.323 1.00 0.00 C ATOM 346 CG PHE A 22 -6.280 -0.460 -4.748 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.499 0.684 -5.500 1.00 0.00 C ATOM 348 CD2 PHE A 22 -5.793 -0.327 -3.459 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.237 1.935 -4.974 1.00 0.00 C ATOM 350 CE2 PHE A 22 -5.528 0.922 -2.928 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.751 2.054 -3.687 1.00 0.00 C ATOM 0 H PHE A 22 -8.120 -3.450 -4.332 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.541 -1.046 -5.671 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.366 -2.574 -4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.878 -2.006 -6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.878 0.597 -6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.618 -1.209 -2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.412 2.819 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.147 1.012 -1.921 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.546 3.031 -3.275 1.00 0.00 H new ATOM 361 N SER A 23 -8.081 -3.582 -7.649 1.00 0.00 N ATOM 362 CA SER A 23 -8.094 -4.013 -9.042 1.00 0.00 C ATOM 363 C SER A 23 -9.460 -3.766 -9.674 1.00 0.00 C ATOM 364 O SER A 23 -9.560 -3.465 -10.864 1.00 0.00 O ATOM 365 CB SER A 23 -7.733 -5.497 -9.141 1.00 0.00 C ATOM 366 OG SER A 23 -8.683 -6.298 -8.462 1.00 0.00 O ATOM 0 H SER A 23 -8.134 -4.342 -6.971 1.00 0.00 H new ATOM 0 HA SER A 23 -7.351 -3.429 -9.585 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.685 -5.794 -10.189 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.743 -5.663 -8.717 1.00 0.00 H new ATOM 0 HG SER A 23 -8.589 -6.169 -7.495 1.00 0.00 H new ATOM 372 N GLN A 24 -10.509 -3.896 -8.871 1.00 0.00 N ATOM 373 CA GLN A 24 -11.869 -3.686 -9.353 1.00 0.00 C ATOM 374 C GLN A 24 -12.297 -2.228 -9.192 1.00 0.00 C ATOM 375 O GLN A 24 -13.342 -1.822 -9.700 1.00 0.00 O ATOM 376 CB GLN A 24 -12.843 -4.599 -8.605 1.00 0.00 C ATOM 377 CG GLN A 24 -12.919 -6.006 -9.173 1.00 0.00 C ATOM 378 CD GLN A 24 -13.358 -6.027 -10.624 1.00 0.00 C ATOM 379 OE1 GLN A 24 -12.536 -6.146 -11.532 1.00 0.00 O ATOM 380 NE2 GLN A 24 -14.662 -5.911 -10.850 1.00 0.00 N ATOM 0 H GLN A 24 -10.444 -4.146 -7.884 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.888 -3.931 -10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.544 -4.655 -7.558 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.837 -4.153 -8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.942 -6.482 -9.086 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.616 -6.597 -8.578 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.309 -5.814 -10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.016 -5.919 -11.806 1.00 0.00 H new ATOM 389 N PHE A 25 -11.489 -1.442 -8.483 1.00 0.00 N ATOM 390 CA PHE A 25 -11.797 -0.034 -8.260 1.00 0.00 C ATOM 391 C PHE A 25 -10.811 0.867 -8.998 1.00 0.00 C ATOM 392 O PHE A 25 -11.187 1.919 -9.517 1.00 0.00 O ATOM 393 CB PHE A 25 -11.772 0.281 -6.762 1.00 0.00 C ATOM 394 CG PHE A 25 -13.010 0.981 -6.276 1.00 0.00 C ATOM 395 CD1 PHE A 25 -14.152 0.260 -5.965 1.00 0.00 C ATOM 396 CD2 PHE A 25 -13.031 2.359 -6.130 1.00 0.00 C ATOM 397 CE1 PHE A 25 -15.291 0.901 -5.517 1.00 0.00 C ATOM 398 CE2 PHE A 25 -14.168 3.005 -5.683 1.00 0.00 C ATOM 399 CZ PHE A 25 -15.299 2.275 -5.376 1.00 0.00 C ATOM 0 H PHE A 25 -10.618 -1.757 -8.055 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.796 0.159 -8.651 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -11.647 -0.648 -6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.903 0.902 -6.544 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.152 -0.814 -6.074 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.149 2.935 -6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -16.175 0.328 -5.277 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -14.172 4.079 -5.574 1.00 0.00 H new ATOM 0 HZ PHE A 25 -16.189 2.778 -5.026 1.00 0.00 H new ATOM 409 N GLY A 26 -9.548 0.453 -9.039 1.00 0.00 N ATOM 410 CA GLY A 26 -8.533 1.244 -9.712 1.00 0.00 C ATOM 411 C GLY A 26 -7.775 0.466 -10.775 1.00 0.00 C ATOM 412 O GLY A 26 -6.996 1.044 -11.531 1.00 0.00 O ATOM 0 H GLY A 26 -9.210 -0.413 -8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.004 2.112 -10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.826 1.621 -8.973 1.00 0.00 H new ATOM 416 N LYS A 27 -8.000 -0.844 -10.835 1.00 0.00 N ATOM 417 CA LYS A 27 -7.323 -1.683 -11.817 1.00 0.00 C ATOM 418 C LYS A 27 -5.812 -1.642 -11.613 1.00 0.00 C ATOM 419 O LYS A 27 -5.050 -1.468 -12.565 1.00 0.00 O ATOM 420 CB LYS A 27 -7.678 -1.229 -13.234 1.00 0.00 C ATOM 421 CG LYS A 27 -7.990 -2.378 -14.178 1.00 0.00 C ATOM 422 CD LYS A 27 -9.103 -2.016 -15.148 1.00 0.00 C ATOM 423 CE LYS A 27 -9.184 -3.006 -16.298 1.00 0.00 C ATOM 424 NZ LYS A 27 -8.599 -2.453 -17.551 1.00 0.00 N ATOM 0 H LYS A 27 -8.642 -1.344 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.659 -2.711 -11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.539 -0.563 -13.188 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.848 -0.650 -13.640 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.093 -2.646 -14.736 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.280 -3.256 -13.601 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.055 -1.993 -14.618 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.933 -1.014 -15.541 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.659 -3.922 -16.026 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.226 -3.275 -16.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.674 -3.159 -18.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.116 -1.593 -17.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.598 -2.220 -17.393 1.00 0.00 H new ATOM 438 N VAL A 28 -5.386 -1.805 -10.365 1.00 0.00 N ATOM 439 CA VAL A 28 -3.966 -1.787 -10.030 1.00 0.00 C ATOM 440 C VAL A 28 -3.186 -2.795 -10.869 1.00 0.00 C ATOM 441 O VAL A 28 -3.746 -3.778 -11.355 1.00 0.00 O ATOM 442 CB VAL A 28 -3.742 -2.091 -8.534 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.275 -3.471 -8.180 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.269 -1.969 -8.177 1.00 0.00 C ATOM 0 H VAL A 28 -6.005 -1.951 -9.567 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.601 -0.784 -10.249 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.294 -1.356 -7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.107 -3.665 -7.121 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.343 -3.514 -8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.757 -4.224 -8.774 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.132 -2.187 -7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.691 -2.677 -8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.927 -0.955 -8.386 1.00 0.00 H new ATOM 454 N PHE A 29 -1.892 -2.543 -11.035 1.00 0.00 N ATOM 455 CA PHE A 29 -1.035 -3.427 -11.815 1.00 0.00 C ATOM 456 C PHE A 29 -0.358 -4.458 -10.919 1.00 0.00 C ATOM 457 O PHE A 29 -0.376 -5.655 -11.209 1.00 0.00 O ATOM 458 CB PHE A 29 0.021 -2.615 -12.566 1.00 0.00 C ATOM 459 CG PHE A 29 -0.547 -1.754 -13.658 1.00 0.00 C ATOM 460 CD1 PHE A 29 -1.378 -0.687 -13.355 1.00 0.00 C ATOM 461 CD2 PHE A 29 -0.250 -2.010 -14.987 1.00 0.00 C ATOM 462 CE1 PHE A 29 -1.902 0.107 -14.356 1.00 0.00 C ATOM 463 CE2 PHE A 29 -0.772 -1.220 -15.993 1.00 0.00 C ATOM 464 CZ PHE A 29 -1.599 -0.160 -15.678 1.00 0.00 C ATOM 0 H PHE A 29 -1.414 -1.733 -10.639 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.659 -3.954 -12.537 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.554 -1.982 -11.856 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.754 -3.298 -12.997 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.619 -0.474 -12.324 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.397 -2.837 -15.239 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.548 0.936 -14.106 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.533 -1.431 -17.025 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.008 0.459 -16.463 1.00 0.00 H new ATOM 474 N ASN A 30 0.238 -3.988 -9.829 1.00 0.00 N ATOM 475 CA ASN A 30 0.921 -4.871 -8.890 1.00 0.00 C ATOM 476 C ASN A 30 0.761 -4.371 -7.458 1.00 0.00 C ATOM 477 O ASN A 30 0.761 -3.167 -7.206 1.00 0.00 O ATOM 478 CB ASN A 30 2.405 -4.976 -9.245 1.00 0.00 C ATOM 479 CG ASN A 30 2.933 -6.391 -9.112 1.00 0.00 C ATOM 480 OD1 ASN A 30 3.811 -6.663 -8.294 1.00 0.00 O ATOM 481 ND2 ASN A 30 2.399 -7.300 -9.919 1.00 0.00 N ATOM 0 H ASN A 30 0.262 -3.001 -9.574 1.00 0.00 H new ATOM 0 HA ASN A 30 0.467 -5.859 -8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.557 -4.629 -10.267 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.979 -4.315 -8.596 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.715 -8.269 -9.876 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.673 -7.029 -10.582 1.00 0.00 H new ATOM 488 N VAL A 31 0.626 -5.305 -6.523 1.00 0.00 N ATOM 489 CA VAL A 31 0.465 -4.962 -5.115 1.00 0.00 C ATOM 490 C VAL A 31 1.043 -6.049 -4.215 1.00 0.00 C ATOM 491 O VAL A 31 0.506 -7.153 -4.136 1.00 0.00 O ATOM 492 CB VAL A 31 -1.017 -4.747 -4.754 1.00 0.00 C ATOM 493 CG1 VAL A 31 -1.150 -4.190 -3.346 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.684 -3.827 -5.766 1.00 0.00 C ATOM 0 H VAL A 31 0.625 -6.307 -6.715 1.00 0.00 H new ATOM 0 HA VAL A 31 1.009 -4.032 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.523 -5.712 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.204 -4.045 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.712 -4.890 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.629 -3.235 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.730 -3.686 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.177 -2.862 -5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.623 -4.273 -6.759 1.00 0.00 H new ATOM 504 N LYS A 32 2.143 -5.729 -3.540 1.00 0.00 N ATOM 505 CA LYS A 32 2.793 -6.681 -2.646 1.00 0.00 C ATOM 506 C LYS A 32 3.565 -5.956 -1.546 1.00 0.00 C ATOM 507 O LYS A 32 3.694 -4.732 -1.568 1.00 0.00 O ATOM 508 CB LYS A 32 3.737 -7.589 -3.438 1.00 0.00 C ATOM 509 CG LYS A 32 3.505 -9.071 -3.190 1.00 0.00 C ATOM 510 CD LYS A 32 2.675 -9.699 -4.297 1.00 0.00 C ATOM 511 CE LYS A 32 1.702 -10.731 -3.749 1.00 0.00 C ATOM 512 NZ LYS A 32 2.206 -12.121 -3.929 1.00 0.00 N ATOM 0 H LYS A 32 2.602 -4.820 -3.595 1.00 0.00 H new ATOM 0 HA LYS A 32 2.020 -7.291 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.618 -7.384 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.767 -7.343 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.464 -9.583 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.999 -9.206 -2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.123 -8.921 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.335 -10.171 -5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.531 -10.541 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.740 -10.626 -4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.514 -12.794 -3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.346 -12.311 -4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.111 -12.230 -3.429 1.00 0.00 H new ATOM 526 N LEU A 33 4.077 -6.723 -0.589 1.00 0.00 N ATOM 527 CA LEU A 33 4.838 -6.156 0.518 1.00 0.00 C ATOM 528 C LEU A 33 6.331 -6.399 0.330 1.00 0.00 C ATOM 529 O LEU A 33 6.734 -7.325 -0.374 1.00 0.00 O ATOM 530 CB LEU A 33 4.374 -6.760 1.846 1.00 0.00 C ATOM 531 CG LEU A 33 3.046 -6.213 2.376 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.299 -7.287 3.152 1.00 0.00 C ATOM 533 CD2 LEU A 33 3.285 -4.991 3.249 1.00 0.00 C ATOM 0 H LEU A 33 3.979 -7.738 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 33 4.662 -5.080 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.283 -7.839 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.146 -6.588 2.596 1.00 0.00 H new ATOM 0 HG LEU A 33 2.432 -5.914 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.357 -6.881 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.096 -8.134 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.907 -7.617 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.331 -4.615 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.917 -5.265 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.779 -4.216 2.663 1.00 0.00 H new ATOM 545 N ILE A 34 7.148 -5.563 0.962 1.00 0.00 N ATOM 546 CA ILE A 34 8.596 -5.689 0.861 1.00 0.00 C ATOM 547 C ILE A 34 9.083 -6.977 1.509 1.00 0.00 C ATOM 548 O ILE A 34 10.029 -7.607 1.039 1.00 0.00 O ATOM 549 CB ILE A 34 9.312 -4.494 1.518 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.873 -4.347 2.975 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.032 -3.216 0.742 1.00 0.00 C ATOM 552 CD1 ILE A 34 9.767 -5.077 3.951 1.00 0.00 C ATOM 0 H ILE A 34 6.831 -4.791 1.549 1.00 0.00 H new ATOM 0 HA ILE A 34 8.837 -5.707 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 34 10.386 -4.678 1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.853 -3.289 3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.854 -4.720 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.545 -2.381 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.391 -3.326 -0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.959 -3.024 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.396 -4.929 4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.768 -6.142 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.782 -4.688 3.876 1.00 0.00 H new ATOM 564 N TYR A 35 8.422 -7.361 2.592 1.00 0.00 N ATOM 565 CA TYR A 35 8.772 -8.578 3.322 1.00 0.00 C ATOM 566 C TYR A 35 10.269 -8.633 3.618 1.00 0.00 C ATOM 567 O TYR A 35 11.007 -7.695 3.321 1.00 0.00 O ATOM 568 CB TYR A 35 8.352 -9.813 2.524 1.00 0.00 C ATOM 569 CG TYR A 35 6.996 -10.357 2.917 1.00 0.00 C ATOM 570 CD1 TYR A 35 5.877 -9.535 2.938 1.00 0.00 C ATOM 571 CD2 TYR A 35 6.838 -11.692 3.269 1.00 0.00 C ATOM 572 CE1 TYR A 35 4.637 -10.028 3.300 1.00 0.00 C ATOM 573 CE2 TYR A 35 5.602 -12.192 3.630 1.00 0.00 C ATOM 574 CZ TYR A 35 4.505 -11.357 3.644 1.00 0.00 C ATOM 575 OH TYR A 35 3.273 -11.851 4.004 1.00 0.00 O ATOM 0 H TYR A 35 7.636 -6.846 2.989 1.00 0.00 H new ATOM 0 HA TYR A 35 8.237 -8.565 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.340 -9.563 1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.100 -10.594 2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.977 -8.494 2.667 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.695 -12.349 3.260 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.776 -9.376 3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.495 -13.232 3.900 1.00 0.00 H new ATOM 0 HH TYR A 35 3.352 -12.805 4.216 1.00 0.00 H new ATOM 585 N ASP A 36 10.708 -9.741 4.207 1.00 0.00 N ATOM 586 CA ASP A 36 12.115 -9.921 4.544 1.00 0.00 C ATOM 587 C ASP A 36 12.758 -10.972 3.643 1.00 0.00 C ATOM 588 O ASP A 36 12.142 -11.988 3.321 1.00 0.00 O ATOM 589 CB ASP A 36 12.264 -10.327 6.011 1.00 0.00 C ATOM 590 CG ASP A 36 13.464 -9.678 6.672 1.00 0.00 C ATOM 591 OD1 ASP A 36 14.589 -9.848 6.158 1.00 0.00 O ATOM 592 OD2 ASP A 36 13.278 -8.998 7.703 1.00 0.00 O ATOM 0 H ASP A 36 10.110 -10.527 4.461 1.00 0.00 H new ATOM 0 HA ASP A 36 12.626 -8.971 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.360 -10.052 6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.358 -11.411 6.077 1.00 0.00 H new ATOM 597 N ARG A 37 14.000 -10.721 3.242 1.00 0.00 N ATOM 598 CA ARG A 37 14.725 -11.647 2.378 1.00 0.00 C ATOM 599 C ARG A 37 15.505 -12.665 3.203 1.00 0.00 C ATOM 600 O ARG A 37 16.707 -12.850 3.009 1.00 0.00 O ATOM 601 CB ARG A 37 15.677 -10.878 1.459 1.00 0.00 C ATOM 602 CG ARG A 37 16.152 -11.688 0.264 1.00 0.00 C ATOM 603 CD ARG A 37 15.115 -11.703 -0.848 1.00 0.00 C ATOM 604 NE ARG A 37 14.303 -12.918 -0.821 1.00 0.00 N ATOM 605 CZ ARG A 37 13.583 -13.352 -1.853 1.00 0.00 C ATOM 606 NH1 ARG A 37 13.570 -12.673 -2.993 1.00 0.00 N ATOM 607 NH2 ARG A 37 12.873 -14.467 -1.744 1.00 0.00 N ATOM 0 H ARG A 37 14.525 -9.886 3.501 1.00 0.00 H new ATOM 0 HA ARG A 37 13.997 -12.184 1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.177 -9.978 1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.543 -10.554 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.085 -11.269 -0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.365 -12.710 0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.467 -10.832 -0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 37 15.616 -11.623 -1.813 1.00 0.00 H new ATOM 0 HE ARG A 37 14.287 -13.466 0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.113 -11.814 -3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.017 -13.010 -3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.879 -14.992 -0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.321 -14.800 -2.535 1.00 0.00 H new ATOM 621 N GLU A 38 14.813 -13.327 4.125 1.00 0.00 N ATOM 622 CA GLU A 38 15.439 -14.329 4.981 1.00 0.00 C ATOM 623 C GLU A 38 14.409 -14.975 5.902 1.00 0.00 C ATOM 624 O GLU A 38 14.440 -16.184 6.132 1.00 0.00 O ATOM 625 CB GLU A 38 16.557 -13.696 5.811 1.00 0.00 C ATOM 626 CG GLU A 38 17.290 -14.687 6.700 1.00 0.00 C ATOM 627 CD GLU A 38 18.788 -14.454 6.721 1.00 0.00 C ATOM 628 OE1 GLU A 38 19.220 -13.334 6.377 1.00 0.00 O ATOM 629 OE2 GLU A 38 19.529 -15.393 7.083 1.00 0.00 O ATOM 0 H GLU A 38 13.818 -13.187 4.299 1.00 0.00 H new ATOM 0 HA GLU A 38 15.865 -15.102 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.274 -13.224 5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.134 -12.907 6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.901 -14.616 7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.088 -15.700 6.352 1.00 0.00 H new ATOM 636 N THR A 39 13.499 -14.161 6.425 1.00 0.00 N ATOM 637 CA THR A 39 12.459 -14.651 7.322 1.00 0.00 C ATOM 638 C THR A 39 11.109 -14.724 6.613 1.00 0.00 C ATOM 639 O THR A 39 10.194 -15.409 7.071 1.00 0.00 O ATOM 640 CB THR A 39 12.353 -13.750 8.554 1.00 0.00 C ATOM 641 OG1 THR A 39 12.750 -12.426 8.242 1.00 0.00 O ATOM 642 CG2 THR A 39 13.201 -14.222 9.715 1.00 0.00 C ATOM 0 H THR A 39 13.460 -13.158 6.243 1.00 0.00 H new ATOM 0 HA THR A 39 12.735 -15.657 7.637 1.00 0.00 H new ATOM 0 HB THR A 39 11.305 -13.789 8.851 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.674 -11.865 9.042 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.080 -13.539 10.556 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.887 -15.222 10.012 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.249 -14.245 9.415 1.00 0.00 H new ATOM 650 N LYS A 40 10.987 -14.014 5.494 1.00 0.00 N ATOM 651 CA LYS A 40 9.747 -14.001 4.726 1.00 0.00 C ATOM 652 C LYS A 40 8.608 -13.396 5.542 1.00 0.00 C ATOM 653 O LYS A 40 7.454 -13.801 5.413 1.00 0.00 O ATOM 654 CB LYS A 40 9.378 -15.419 4.283 1.00 0.00 C ATOM 655 CG LYS A 40 9.921 -15.788 2.912 1.00 0.00 C ATOM 656 CD LYS A 40 9.607 -17.232 2.557 1.00 0.00 C ATOM 657 CE LYS A 40 9.807 -17.499 1.074 1.00 0.00 C ATOM 658 NZ LYS A 40 11.060 -18.261 0.811 1.00 0.00 N ATOM 0 H LYS A 40 11.733 -13.440 5.100 1.00 0.00 H new ATOM 0 HA LYS A 40 9.904 -13.384 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.756 -16.130 5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.292 -15.517 4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.492 -15.126 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.000 -15.634 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.247 -17.897 3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.577 -17.460 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.954 -18.057 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.838 -16.552 0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.160 -18.423 -0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.876 -17.717 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.020 -19.176 1.304 1.00 0.00 H new ATOM 672 N LYS A 41 8.945 -12.423 6.383 1.00 0.00 N ATOM 673 CA LYS A 41 7.952 -11.759 7.220 1.00 0.00 C ATOM 674 C LYS A 41 7.793 -10.294 6.818 1.00 0.00 C ATOM 675 O LYS A 41 8.760 -9.644 6.422 1.00 0.00 O ATOM 676 CB LYS A 41 8.352 -11.854 8.694 1.00 0.00 C ATOM 677 CG LYS A 41 8.063 -13.211 9.316 1.00 0.00 C ATOM 678 CD LYS A 41 7.103 -13.099 10.489 1.00 0.00 C ATOM 679 CE LYS A 41 6.412 -14.421 10.773 1.00 0.00 C ATOM 680 NZ LYS A 41 4.989 -14.232 11.174 1.00 0.00 N ATOM 0 H LYS A 41 9.897 -12.077 6.503 1.00 0.00 H new ATOM 0 HA LYS A 41 6.996 -12.263 7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.417 -11.640 8.788 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.822 -11.085 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.640 -13.874 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.996 -13.664 9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.647 -12.774 11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.355 -12.335 10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.458 -15.052 9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.945 -14.946 11.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.554 -15.159 11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.945 -13.651 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.473 -13.754 10.408 1.00 0.00 H new ATOM 694 N PRO A 42 6.566 -9.753 6.914 1.00 0.00 N ATOM 695 CA PRO A 42 6.288 -8.359 6.557 1.00 0.00 C ATOM 696 C PRO A 42 6.805 -7.378 7.604 1.00 0.00 C ATOM 697 O PRO A 42 6.401 -7.427 8.766 1.00 0.00 O ATOM 698 CB PRO A 42 4.763 -8.314 6.487 1.00 0.00 C ATOM 699 CG PRO A 42 4.313 -9.370 7.436 1.00 0.00 C ATOM 700 CD PRO A 42 5.354 -10.457 7.377 1.00 0.00 C ATOM 0 HA PRO A 42 6.781 -8.067 5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.382 -7.334 6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.406 -8.511 5.476 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.222 -8.972 8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.332 -9.754 7.155 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.507 -10.919 8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.065 -11.252 6.690 1.00 0.00 H new ATOM 708 N LYS A 43 7.698 -6.487 7.185 1.00 0.00 N ATOM 709 CA LYS A 43 8.267 -5.495 8.089 1.00 0.00 C ATOM 710 C LYS A 43 7.212 -4.477 8.513 1.00 0.00 C ATOM 711 O LYS A 43 6.708 -4.523 9.635 1.00 0.00 O ATOM 712 CB LYS A 43 9.446 -4.783 7.420 1.00 0.00 C ATOM 713 CG LYS A 43 10.748 -4.906 8.194 1.00 0.00 C ATOM 714 CD LYS A 43 11.330 -6.306 8.089 1.00 0.00 C ATOM 715 CE LYS A 43 11.085 -7.110 9.356 1.00 0.00 C ATOM 716 NZ LYS A 43 12.293 -7.158 10.225 1.00 0.00 N ATOM 0 H LYS A 43 8.043 -6.432 6.227 1.00 0.00 H new ATOM 0 HA LYS A 43 8.623 -6.011 8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.587 -5.193 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.202 -3.727 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.468 -4.182 7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.574 -4.661 9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.886 -6.822 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.401 -6.242 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.256 -6.670 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.788 -8.125 9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.085 -7.715 11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.077 -7.601 9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.562 -6.192 10.500 1.00 0.00 H new ATOM 730 N GLY A 44 6.881 -3.561 7.608 1.00 0.00 N ATOM 731 CA GLY A 44 5.886 -2.548 7.910 1.00 0.00 C ATOM 732 C GLY A 44 5.720 -1.539 6.790 1.00 0.00 C ATOM 733 O GLY A 44 5.512 -0.352 7.042 1.00 0.00 O ATOM 0 H GLY A 44 7.283 -3.502 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.928 -3.031 8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.170 -2.027 8.824 1.00 0.00 H new ATOM 737 N PHE A 45 5.808 -2.010 5.550 1.00 0.00 N ATOM 738 CA PHE A 45 5.663 -1.137 4.390 1.00 0.00 C ATOM 739 C PHE A 45 5.736 -1.936 3.092 1.00 0.00 C ATOM 740 O PHE A 45 6.622 -2.772 2.913 1.00 0.00 O ATOM 741 CB PHE A 45 6.742 -0.052 4.400 1.00 0.00 C ATOM 742 CG PHE A 45 8.142 -0.590 4.477 1.00 0.00 C ATOM 743 CD1 PHE A 45 8.692 -0.956 5.696 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.910 -0.727 3.332 1.00 0.00 C ATOM 745 CE1 PHE A 45 9.981 -1.448 5.771 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.200 -1.219 3.401 1.00 0.00 C ATOM 747 CZ PHE A 45 10.736 -1.580 4.622 1.00 0.00 C ATOM 0 H PHE A 45 5.979 -2.990 5.323 1.00 0.00 H new ATOM 0 HA PHE A 45 4.683 -0.662 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.644 0.553 3.498 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.570 0.610 5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.106 -0.855 6.598 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.496 -0.446 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.398 -1.729 6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.788 -1.321 2.501 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.744 -1.965 4.678 1.00 0.00 H new ATOM 757 N GLY A 46 4.796 -1.672 2.189 1.00 0.00 N ATOM 758 CA GLY A 46 4.767 -2.372 0.918 1.00 0.00 C ATOM 759 C GLY A 46 4.837 -1.429 -0.266 1.00 0.00 C ATOM 760 O GLY A 46 5.281 -0.287 -0.134 1.00 0.00 O ATOM 0 H GLY A 46 4.053 -0.985 2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.603 -3.070 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.854 -2.964 0.854 1.00 0.00 H new ATOM 764 N PHE A 47 4.399 -1.904 -1.428 1.00 0.00 N ATOM 765 CA PHE A 47 4.417 -1.094 -2.641 1.00 0.00 C ATOM 766 C PHE A 47 3.213 -1.405 -3.526 1.00 0.00 C ATOM 767 O PHE A 47 2.677 -2.513 -3.496 1.00 0.00 O ATOM 768 CB PHE A 47 5.713 -1.335 -3.418 1.00 0.00 C ATOM 769 CG PHE A 47 6.637 -0.151 -3.427 1.00 0.00 C ATOM 770 CD1 PHE A 47 6.332 0.976 -4.174 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.811 -0.166 -2.691 1.00 0.00 C ATOM 772 CE1 PHE A 47 7.181 2.067 -4.185 1.00 0.00 C ATOM 773 CE2 PHE A 47 8.664 0.922 -2.699 1.00 0.00 C ATOM 774 CZ PHE A 47 8.348 2.039 -3.447 1.00 0.00 C ATOM 0 H PHE A 47 4.027 -2.845 -1.555 1.00 0.00 H new ATOM 0 HA PHE A 47 4.365 -0.045 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.234 -2.189 -2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.467 -1.601 -4.446 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.421 1.002 -4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.062 -1.037 -2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.932 2.940 -4.770 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.576 0.898 -2.121 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.013 2.890 -3.455 1.00 0.00 H new ATOM 784 N VAL A 48 2.799 -0.419 -4.316 1.00 0.00 N ATOM 785 CA VAL A 48 1.662 -0.584 -5.215 1.00 0.00 C ATOM 786 C VAL A 48 1.911 0.127 -6.542 1.00 0.00 C ATOM 787 O VAL A 48 2.197 1.325 -6.572 1.00 0.00 O ATOM 788 CB VAL A 48 0.362 -0.042 -4.589 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.823 -0.282 -5.515 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.120 -0.678 -3.228 1.00 0.00 C ATOM 0 H VAL A 48 3.234 0.503 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 48 1.548 -1.654 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 48 0.471 1.034 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.730 0.108 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.652 0.225 -6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.937 -1.352 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.802 -0.284 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.034 -1.759 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.954 -0.448 -2.565 1.00 0.00 H new ATOM 800 N GLU A 49 1.802 -0.618 -7.637 1.00 0.00 N ATOM 801 CA GLU A 49 2.017 -0.058 -8.967 1.00 0.00 C ATOM 802 C GLU A 49 0.694 0.358 -9.603 1.00 0.00 C ATOM 803 O GLU A 49 -0.110 -0.487 -9.995 1.00 0.00 O ATOM 804 CB GLU A 49 2.730 -1.075 -9.861 1.00 0.00 C ATOM 805 CG GLU A 49 3.702 -0.442 -10.844 1.00 0.00 C ATOM 806 CD GLU A 49 4.558 -1.470 -11.559 1.00 0.00 C ATOM 807 OE1 GLU A 49 3.988 -2.418 -12.139 1.00 0.00 O ATOM 808 OE2 GLU A 49 5.798 -1.326 -11.538 1.00 0.00 O ATOM 0 H GLU A 49 1.566 -1.610 -7.630 1.00 0.00 H new ATOM 0 HA GLU A 49 2.644 0.828 -8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.270 -1.783 -9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.985 -1.645 -10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.144 0.136 -11.580 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.348 0.257 -10.312 1.00 0.00 H new ATOM 815 N MET A 50 0.477 1.665 -9.703 1.00 0.00 N ATOM 816 CA MET A 50 -0.748 2.193 -10.292 1.00 0.00 C ATOM 817 C MET A 50 -0.443 3.361 -11.224 1.00 0.00 C ATOM 818 O MET A 50 0.609 3.993 -11.122 1.00 0.00 O ATOM 819 CB MET A 50 -1.715 2.642 -9.194 1.00 0.00 C ATOM 820 CG MET A 50 -2.582 1.518 -8.651 1.00 0.00 C ATOM 821 SD MET A 50 -3.772 2.092 -7.422 1.00 0.00 S ATOM 822 CE MET A 50 -5.257 2.202 -8.416 1.00 0.00 C ATOM 0 H MET A 50 1.133 2.378 -9.384 1.00 0.00 H new ATOM 0 HA MET A 50 -1.214 1.398 -10.874 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.144 3.078 -8.374 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.359 3.429 -9.588 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.116 1.045 -9.475 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.944 0.755 -8.205 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.063 2.629 -7.820 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.070 2.838 -9.281 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.544 1.206 -8.754 1.00 0.00 H new ATOM 832 N GLN A 51 -1.371 3.645 -12.133 1.00 0.00 N ATOM 833 CA GLN A 51 -1.201 4.739 -13.082 1.00 0.00 C ATOM 834 C GLN A 51 -1.107 6.078 -12.357 1.00 0.00 C ATOM 835 O GLN A 51 -1.597 6.224 -11.238 1.00 0.00 O ATOM 836 CB GLN A 51 -2.361 4.761 -14.080 1.00 0.00 C ATOM 837 CG GLN A 51 -1.916 4.855 -15.531 1.00 0.00 C ATOM 838 CD GLN A 51 -2.727 5.859 -16.327 1.00 0.00 C ATOM 839 OE1 GLN A 51 -3.714 6.407 -15.836 1.00 0.00 O ATOM 840 NE2 GLN A 51 -2.313 6.104 -17.565 1.00 0.00 N ATOM 0 H GLN A 51 -2.248 3.133 -12.232 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.270 4.577 -13.625 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.958 3.858 -13.950 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.009 5.607 -13.852 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.863 5.134 -15.567 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.001 3.874 -15.997 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.489 5.627 -17.931 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.819 6.770 -18.150 1.00 0.00 H new ATOM 849 N GLU A 52 -0.471 7.051 -13.000 1.00 0.00 N ATOM 850 CA GLU A 52 -0.312 8.377 -12.415 1.00 0.00 C ATOM 851 C GLU A 52 -1.601 9.184 -12.530 1.00 0.00 C ATOM 852 O GLU A 52 -1.673 10.161 -13.276 1.00 0.00 O ATOM 853 CB GLU A 52 0.836 9.125 -13.097 1.00 0.00 C ATOM 854 CG GLU A 52 0.720 9.165 -14.612 1.00 0.00 C ATOM 855 CD GLU A 52 1.622 10.211 -15.237 1.00 0.00 C ATOM 856 OE1 GLU A 52 1.774 11.298 -14.641 1.00 0.00 O ATOM 857 OE2 GLU A 52 2.176 9.944 -16.325 1.00 0.00 O ATOM 0 H GLU A 52 -0.057 6.946 -13.926 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.078 8.253 -11.358 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.871 10.146 -12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.779 8.651 -12.825 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.970 8.185 -15.018 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.314 9.370 -14.888 1.00 0.00 H new ATOM 864 N GLU A 53 -2.617 8.769 -11.781 1.00 0.00 N ATOM 865 CA GLU A 53 -3.905 9.450 -11.791 1.00 0.00 C ATOM 866 C GLU A 53 -4.591 9.310 -10.438 1.00 0.00 C ATOM 867 O GLU A 53 -5.067 10.290 -9.864 1.00 0.00 O ATOM 868 CB GLU A 53 -4.801 8.882 -12.893 1.00 0.00 C ATOM 869 CG GLU A 53 -6.162 9.553 -12.976 1.00 0.00 C ATOM 870 CD GLU A 53 -7.170 8.732 -13.758 1.00 0.00 C ATOM 871 OE1 GLU A 53 -6.938 8.498 -14.963 1.00 0.00 O ATOM 872 OE2 GLU A 53 -8.191 8.323 -13.166 1.00 0.00 O ATOM 0 H GLU A 53 -2.572 7.962 -11.158 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.732 10.508 -11.989 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.294 8.987 -13.852 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.941 7.815 -12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.541 9.723 -11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.053 10.531 -13.445 1.00 0.00 H new ATOM 879 N SER A 54 -4.630 8.083 -9.931 1.00 0.00 N ATOM 880 CA SER A 54 -5.249 7.807 -8.641 1.00 0.00 C ATOM 881 C SER A 54 -4.232 7.927 -7.509 1.00 0.00 C ATOM 882 O SER A 54 -4.602 8.096 -6.348 1.00 0.00 O ATOM 883 CB SER A 54 -5.867 6.407 -8.639 1.00 0.00 C ATOM 884 OG SER A 54 -5.182 5.545 -9.531 1.00 0.00 O ATOM 0 H SER A 54 -4.240 7.263 -10.395 1.00 0.00 H new ATOM 0 HA SER A 54 -6.034 8.546 -8.478 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.834 5.993 -7.631 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.917 6.469 -8.924 1.00 0.00 H new ATOM 0 HG SER A 54 -5.805 4.874 -9.880 1.00 0.00 H new ATOM 890 N VAL A 55 -2.948 7.838 -7.854 1.00 0.00 N ATOM 891 CA VAL A 55 -1.884 7.936 -6.861 1.00 0.00 C ATOM 892 C VAL A 55 -1.932 9.272 -6.127 1.00 0.00 C ATOM 893 O VAL A 55 -1.862 9.319 -4.899 1.00 0.00 O ATOM 894 CB VAL A 55 -0.496 7.770 -7.511 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.591 7.722 -6.449 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.458 6.520 -8.380 1.00 0.00 C ATOM 0 H VAL A 55 -2.622 7.699 -8.810 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.045 7.129 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.310 8.634 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.563 7.604 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.579 8.648 -5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.411 6.879 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.530 6.420 -8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.668 5.644 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.209 6.600 -9.166 1.00 0.00 H new ATOM 906 N SER A 56 -2.049 10.357 -6.886 1.00 0.00 N ATOM 907 CA SER A 56 -2.102 11.695 -6.307 1.00 0.00 C ATOM 908 C SER A 56 -3.233 11.810 -5.289 1.00 0.00 C ATOM 909 O SER A 56 -3.006 12.168 -4.132 1.00 0.00 O ATOM 910 CB SER A 56 -2.286 12.741 -7.409 1.00 0.00 C ATOM 911 OG SER A 56 -1.036 13.234 -7.858 1.00 0.00 O ATOM 0 H SER A 56 -2.109 10.336 -7.904 1.00 0.00 H new ATOM 0 HA SER A 56 -1.158 11.876 -5.792 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.829 12.301 -8.246 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.892 13.566 -7.034 1.00 0.00 H new ATOM 0 HG SER A 56 -1.181 13.899 -8.563 1.00 0.00 H new ATOM 917 N GLU A 57 -4.451 11.507 -5.726 1.00 0.00 N ATOM 918 CA GLU A 57 -5.617 11.580 -4.853 1.00 0.00 C ATOM 919 C GLU A 57 -5.581 10.484 -3.792 1.00 0.00 C ATOM 920 O GLU A 57 -6.120 10.648 -2.698 1.00 0.00 O ATOM 921 CB GLU A 57 -6.902 11.466 -5.676 1.00 0.00 C ATOM 922 CG GLU A 57 -7.462 12.808 -6.118 1.00 0.00 C ATOM 923 CD GLU A 57 -8.322 13.459 -5.053 1.00 0.00 C ATOM 924 OE1 GLU A 57 -8.090 13.190 -3.856 1.00 0.00 O ATOM 925 OE2 GLU A 57 -9.229 14.238 -5.416 1.00 0.00 O ATOM 0 H GLU A 57 -4.656 11.209 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.598 12.546 -4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.706 10.855 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.656 10.943 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.639 13.475 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.053 12.671 -7.023 1.00 0.00 H new ATOM 932 N ALA A 58 -4.946 9.364 -4.123 1.00 0.00 N ATOM 933 CA ALA A 58 -4.845 8.241 -3.198 1.00 0.00 C ATOM 934 C ALA A 58 -4.114 8.640 -1.921 1.00 0.00 C ATOM 935 O ALA A 58 -4.511 8.255 -0.827 1.00 0.00 O ATOM 936 CB ALA A 58 -4.142 7.069 -3.865 1.00 0.00 C ATOM 0 H ALA A 58 -4.494 9.210 -5.024 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.856 7.938 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.074 6.238 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.708 6.757 -4.743 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.140 7.371 -4.168 1.00 0.00 H new ATOM 942 N ILE A 59 -3.043 9.409 -2.071 1.00 0.00 N ATOM 943 CA ILE A 59 -2.248 9.861 -0.933 1.00 0.00 C ATOM 944 C ILE A 59 -2.763 11.197 -0.400 1.00 0.00 C ATOM 945 O ILE A 59 -2.596 11.518 0.777 1.00 0.00 O ATOM 946 CB ILE A 59 -0.759 10.005 -1.330 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.219 8.670 -1.849 1.00 0.00 C ATOM 948 CG2 ILE A 59 0.082 10.496 -0.159 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.405 8.764 -3.224 1.00 0.00 C ATOM 0 H ILE A 59 -2.702 9.735 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.340 9.110 -0.148 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.693 10.749 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.523 8.290 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.032 7.945 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.122 10.586 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.284 11.469 0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.010 9.785 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.766 7.781 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.340 9.114 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.240 9.465 -3.198 1.00 0.00 H new ATOM 961 N ALA A 60 -3.379 11.975 -1.281 1.00 0.00 N ATOM 962 CA ALA A 60 -3.908 13.285 -0.923 1.00 0.00 C ATOM 963 C ALA A 60 -4.865 13.231 0.267 1.00 0.00 C ATOM 964 O ALA A 60 -4.662 13.920 1.267 1.00 0.00 O ATOM 965 CB ALA A 60 -4.612 13.900 -2.121 1.00 0.00 C ATOM 0 H ALA A 60 -3.525 11.718 -2.257 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.061 13.902 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.006 14.879 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.904 14.009 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.432 13.253 -2.433 1.00 0.00 H new ATOM 971 N LYS A 61 -5.922 12.434 0.145 1.00 0.00 N ATOM 972 CA LYS A 61 -6.923 12.327 1.204 1.00 0.00 C ATOM 973 C LYS A 61 -6.598 11.220 2.203 1.00 0.00 C ATOM 974 O LYS A 61 -7.189 11.160 3.280 1.00 0.00 O ATOM 975 CB LYS A 61 -8.305 12.083 0.595 1.00 0.00 C ATOM 976 CG LYS A 61 -9.111 13.354 0.386 1.00 0.00 C ATOM 977 CD LYS A 61 -8.661 14.100 -0.859 1.00 0.00 C ATOM 978 CE LYS A 61 -9.725 15.073 -1.340 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.685 15.255 -2.816 1.00 0.00 N ATOM 0 H LYS A 61 -6.108 11.854 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.917 13.271 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.186 11.576 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.865 11.410 1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.169 13.105 0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.005 14.001 1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.740 14.642 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.435 13.386 -1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.709 14.709 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.583 16.037 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.602 15.618 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.936 15.933 -3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.489 14.342 -3.273 1.00 0.00 H new ATOM 993 N LEU A 62 -5.675 10.336 1.847 1.00 0.00 N ATOM 994 CA LEU A 62 -5.313 9.233 2.728 1.00 0.00 C ATOM 995 C LEU A 62 -4.170 9.608 3.666 1.00 0.00 C ATOM 996 O LEU A 62 -4.381 9.832 4.858 1.00 0.00 O ATOM 997 CB LEU A 62 -4.927 8.010 1.903 1.00 0.00 C ATOM 998 CG LEU A 62 -6.078 7.366 1.127 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.612 6.090 0.442 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.251 7.078 2.053 1.00 0.00 C ATOM 0 H LEU A 62 -5.167 10.360 0.963 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.184 9.001 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.148 8.297 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.494 7.263 2.568 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.410 8.066 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.444 5.646 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.805 6.324 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.253 5.385 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.060 6.620 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.933 6.397 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.602 8.010 2.497 1.00 0.00 H new ATOM 1012 N ASP A 63 -2.958 9.661 3.126 1.00 0.00 N ATOM 1013 CA ASP A 63 -1.777 9.993 3.919 1.00 0.00 C ATOM 1014 C ASP A 63 -2.003 11.247 4.762 1.00 0.00 C ATOM 1015 O ASP A 63 -2.621 12.212 4.310 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.556 10.157 3.002 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.133 11.604 2.809 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -0.994 12.431 2.441 1.00 0.00 O ATOM 1019 OD2 ASP A 63 1.059 11.909 3.026 1.00 0.00 O ATOM 0 H ASP A 63 -2.766 9.478 2.141 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.588 9.171 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.280 9.595 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.781 9.720 2.029 1.00 0.00 H new ATOM 1024 N ASN A 64 -1.494 11.222 5.990 1.00 0.00 N ATOM 1025 CA ASN A 64 -1.630 12.348 6.908 1.00 0.00 C ATOM 1026 C ASN A 64 -1.079 11.989 8.285 1.00 0.00 C ATOM 1027 O ASN A 64 -0.498 12.829 8.972 1.00 0.00 O ATOM 1028 CB ASN A 64 -3.098 12.773 7.024 1.00 0.00 C ATOM 1029 CG ASN A 64 -3.326 14.200 6.563 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -2.440 14.826 5.981 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -4.519 14.721 6.822 1.00 0.00 N ATOM 0 H ASN A 64 -0.980 10.429 6.374 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.054 13.183 6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.716 12.099 6.431 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.421 12.673 8.060 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.731 15.677 6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.224 14.166 7.307 1.00 0.00 H new ATOM 1038 N THR A 65 -1.266 10.733 8.680 1.00 0.00 N ATOM 1039 CA THR A 65 -0.788 10.258 9.974 1.00 0.00 C ATOM 1040 C THR A 65 -0.672 8.737 9.982 1.00 0.00 C ATOM 1041 O THR A 65 -0.789 8.090 8.941 1.00 0.00 O ATOM 1042 CB THR A 65 -1.727 10.720 11.091 1.00 0.00 C ATOM 1043 OG1 THR A 65 -2.952 11.191 10.556 1.00 0.00 O ATOM 1044 CG2 THR A 65 -1.144 11.827 11.943 1.00 0.00 C ATOM 0 H THR A 65 -1.745 10.026 8.122 1.00 0.00 H new ATOM 0 HA THR A 65 0.201 10.681 10.148 1.00 0.00 H new ATOM 0 HB THR A 65 -1.882 9.842 11.718 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.538 11.480 11.286 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.860 12.107 12.715 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.223 11.479 12.411 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.928 12.693 11.317 1.00 0.00 H new ATOM 1052 N ASP A 66 -0.440 8.169 11.162 1.00 0.00 N ATOM 1053 CA ASP A 66 -0.310 6.724 11.302 1.00 0.00 C ATOM 1054 C ASP A 66 -1.426 6.159 12.175 1.00 0.00 C ATOM 1055 O ASP A 66 -1.450 6.377 13.387 1.00 0.00 O ATOM 1056 CB ASP A 66 1.052 6.369 11.905 1.00 0.00 C ATOM 1057 CG ASP A 66 2.122 6.187 10.846 1.00 0.00 C ATOM 1058 OD1 ASP A 66 2.658 7.206 10.363 1.00 0.00 O ATOM 1059 OD2 ASP A 66 2.424 5.025 10.501 1.00 0.00 O ATOM 0 H ASP A 66 -0.338 8.688 12.034 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.388 6.280 10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.357 7.156 12.595 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.961 5.452 12.487 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.349 5.435 11.552 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.469 4.840 12.274 1.00 0.00 C ATOM 1066 C PHE A 67 -3.754 3.429 11.769 1.00 0.00 C ATOM 1067 O PHE A 67 -3.015 2.891 10.946 1.00 0.00 O ATOM 1068 CB PHE A 67 -4.718 5.711 12.126 1.00 0.00 C ATOM 1069 CG PHE A 67 -4.959 6.617 13.300 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -4.106 7.677 13.561 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -6.039 6.408 14.142 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -4.325 8.511 14.640 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -6.264 7.238 15.224 1.00 0.00 C ATOM 1074 CZ PHE A 67 -5.405 8.292 15.473 1.00 0.00 C ATOM 0 H PHE A 67 -2.345 5.246 10.550 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.200 4.780 13.328 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.625 6.315 11.224 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.587 5.067 11.990 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.260 7.853 12.913 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.713 5.586 13.951 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.652 9.334 14.832 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.109 7.063 15.873 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.578 8.943 16.317 1.00 0.00 H new ATOM 1084 N MET A 68 -4.831 2.833 12.273 1.00 0.00 N ATOM 1085 CA MET A 68 -5.214 1.483 11.877 1.00 0.00 C ATOM 1086 C MET A 68 -5.830 1.479 10.480 1.00 0.00 C ATOM 1087 O MET A 68 -7.025 1.224 10.317 1.00 0.00 O ATOM 1088 CB MET A 68 -6.203 0.895 12.886 1.00 0.00 C ATOM 1089 CG MET A 68 -7.369 1.815 13.205 1.00 0.00 C ATOM 1090 SD MET A 68 -8.852 0.914 13.693 1.00 0.00 S ATOM 1091 CE MET A 68 -9.130 1.581 15.332 1.00 0.00 C ATOM 0 H MET A 68 -5.453 3.264 12.956 1.00 0.00 H new ATOM 0 HA MET A 68 -4.315 0.867 11.859 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.590 -0.046 12.496 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.672 0.663 13.809 1.00 0.00 H new ATOM 0 HG2 MET A 68 -7.081 2.495 14.007 1.00 0.00 H new ATOM 0 HG3 MET A 68 -7.592 2.428 12.332 1.00 0.00 H new ATOM 0 HE1 MET A 68 -10.017 1.120 15.767 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.266 1.371 15.962 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.277 2.659 15.266 1.00 0.00 H new ATOM 1101 N GLY A 69 -5.007 1.761 9.476 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.488 1.783 8.107 1.00 0.00 C ATOM 1103 C GLY A 69 -6.478 2.903 7.853 1.00 0.00 C ATOM 1104 O GLY A 69 -7.326 2.800 6.966 1.00 0.00 O ATOM 0 H GLY A 69 -4.016 1.975 9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.641 1.892 7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.959 0.828 7.876 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.373 3.975 8.632 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.267 5.117 8.485 1.00 0.00 C ATOM 1110 C ARG A 70 -6.624 6.202 7.627 1.00 0.00 C ATOM 1111 O ARG A 70 -7.299 6.874 6.847 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.635 5.685 9.856 1.00 0.00 C ATOM 1113 CG ARG A 70 -8.824 4.992 10.502 1.00 0.00 C ATOM 1114 CD ARG A 70 -8.771 5.091 12.018 1.00 0.00 C ATOM 1115 NE ARG A 70 -9.168 6.414 12.493 1.00 0.00 N ATOM 1116 CZ ARG A 70 -10.433 6.817 12.597 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -11.425 6.004 12.257 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -10.706 8.037 13.040 1.00 0.00 N ATOM 0 H ARG A 70 -5.678 4.076 9.371 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.175 4.775 7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.773 5.602 10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.856 6.747 9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.749 5.440 10.139 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.840 3.943 10.205 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.427 4.337 12.454 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.760 4.871 12.361 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.433 7.068 12.761 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.220 5.065 11.914 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.392 6.318 12.339 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.947 8.667 13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.675 8.346 13.120 1.00 0.00 H new ATOM 1132 N THR A 71 -5.314 6.366 7.776 1.00 0.00 N ATOM 1133 CA THR A 71 -4.577 7.369 7.015 1.00 0.00 C ATOM 1134 C THR A 71 -3.240 6.811 6.537 1.00 0.00 C ATOM 1135 O THR A 71 -2.913 6.887 5.353 1.00 0.00 O ATOM 1136 CB THR A 71 -4.351 8.624 7.862 1.00 0.00 C ATOM 1137 OG1 THR A 71 -3.316 9.422 7.313 1.00 0.00 O ATOM 1138 CG2 THR A 71 -3.983 8.324 9.300 1.00 0.00 C ATOM 0 H THR A 71 -4.740 5.817 8.417 1.00 0.00 H new ATOM 0 HA THR A 71 -5.172 7.637 6.142 1.00 0.00 H new ATOM 0 HB THR A 71 -5.306 9.150 7.852 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.560 9.695 6.404 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.838 9.259 9.841 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.785 7.754 9.769 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.061 7.743 9.326 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.471 6.248 7.464 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.172 5.677 7.135 1.00 0.00 C ATOM 1148 C ILE A 72 -0.243 6.731 6.543 1.00 0.00 C ATOM 1149 O ILE A 72 -0.696 7.763 6.051 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.308 4.510 6.136 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.392 3.535 6.599 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.024 3.792 5.975 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.902 2.632 5.496 1.00 0.00 C ATOM 0 H ILE A 72 -2.726 6.176 8.449 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.746 5.302 8.066 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.600 4.914 5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.996 2.920 7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.228 4.101 7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.088 2.971 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.772 4.492 5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.344 3.398 6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.668 1.967 5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.328 3.239 4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.077 2.039 5.101 1.00 0.00 H new ATOM 1165 N ARG A 73 1.058 6.464 6.592 1.00 0.00 N ATOM 1166 CA ARG A 73 2.047 7.392 6.057 1.00 0.00 C ATOM 1167 C ARG A 73 2.368 7.064 4.602 1.00 0.00 C ATOM 1168 O ARG A 73 3.533 6.940 4.223 1.00 0.00 O ATOM 1169 CB ARG A 73 3.325 7.353 6.899 1.00 0.00 C ATOM 1170 CG ARG A 73 3.961 5.973 6.979 1.00 0.00 C ATOM 1171 CD ARG A 73 5.251 5.900 6.175 1.00 0.00 C ATOM 1172 NE ARG A 73 6.431 5.830 7.036 1.00 0.00 N ATOM 1173 CZ ARG A 73 7.125 6.892 7.442 1.00 0.00 C ATOM 1174 NH1 ARG A 73 6.766 8.115 7.072 1.00 0.00 N ATOM 1175 NH2 ARG A 73 8.183 6.730 8.223 1.00 0.00 N ATOM 0 H ARG A 73 1.451 5.614 6.996 1.00 0.00 H new ATOM 0 HA ARG A 73 1.627 8.397 6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.048 8.053 6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.096 7.697 7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.167 5.727 8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.258 5.227 6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.224 5.025 5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.325 6.775 5.529 1.00 0.00 H new ATOM 0 HE ARG A 73 6.742 4.909 7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.952 8.248 6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.304 8.922 7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.465 5.793 8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.716 7.542 8.535 1.00 0.00 H new ATOM 1189 N VAL A 74 1.326 6.921 3.790 1.00 0.00 N ATOM 1190 CA VAL A 74 1.495 6.605 2.378 1.00 0.00 C ATOM 1191 C VAL A 74 2.025 7.808 1.604 1.00 0.00 C ATOM 1192 O VAL A 74 1.897 8.950 2.047 1.00 0.00 O ATOM 1193 CB VAL A 74 0.167 6.139 1.745 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -0.869 7.253 1.781 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.394 5.655 0.321 1.00 0.00 C ATOM 0 H VAL A 74 0.355 7.019 4.087 1.00 0.00 H new ATOM 0 HA VAL A 74 2.221 5.794 2.318 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.217 5.304 2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.797 6.902 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.056 7.543 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.498 8.113 1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.554 5.331 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.805 6.468 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.094 4.820 0.328 1.00 0.00 H new ATOM 1205 N THR A 75 2.622 7.546 0.446 1.00 0.00 N ATOM 1206 CA THR A 75 3.171 8.607 -0.388 1.00 0.00 C ATOM 1207 C THR A 75 3.726 8.042 -1.692 1.00 0.00 C ATOM 1208 O THR A 75 4.052 6.858 -1.778 1.00 0.00 O ATOM 1209 CB THR A 75 4.270 9.358 0.363 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.924 10.279 -0.492 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.327 8.445 0.948 1.00 0.00 C ATOM 0 H THR A 75 2.738 6.607 0.064 1.00 0.00 H new ATOM 0 HA THR A 75 2.365 9.300 -0.627 1.00 0.00 H new ATOM 0 HB THR A 75 3.762 9.870 1.180 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.623 10.750 0.008 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.077 9.042 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.862 7.754 1.651 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.804 7.881 0.147 1.00 0.00 H new ATOM 1219 N GLU A 76 3.829 8.897 -2.704 1.00 0.00 N ATOM 1220 CA GLU A 76 4.344 8.483 -4.005 1.00 0.00 C ATOM 1221 C GLU A 76 5.869 8.456 -4.001 1.00 0.00 C ATOM 1222 O GLU A 76 6.519 9.501 -3.976 1.00 0.00 O ATOM 1223 CB GLU A 76 3.843 9.425 -5.100 1.00 0.00 C ATOM 1224 CG GLU A 76 4.048 10.897 -4.777 1.00 0.00 C ATOM 1225 CD GLU A 76 4.610 11.679 -5.949 1.00 0.00 C ATOM 1226 OE1 GLU A 76 5.396 11.099 -6.727 1.00 0.00 O ATOM 1227 OE2 GLU A 76 4.263 12.869 -6.089 1.00 0.00 O ATOM 0 H GLU A 76 3.563 9.880 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 76 3.980 7.476 -4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.357 9.191 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.781 9.243 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.096 11.335 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.724 10.988 -3.927 1.00 0.00 H new ATOM 1234 N ALA A 77 6.435 7.254 -4.028 1.00 0.00 N ATOM 1235 CA ALA A 77 7.883 7.091 -4.028 1.00 0.00 C ATOM 1236 C ALA A 77 8.504 7.699 -5.281 1.00 0.00 C ATOM 1237 O ALA A 77 7.780 7.838 -6.290 1.00 0.00 O ATOM 1238 CB ALA A 77 8.249 5.619 -3.917 1.00 0.00 C ATOM 0 H ALA A 77 5.912 6.378 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 77 8.283 7.620 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.334 5.513 -3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.846 5.213 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.830 5.075 -4.764 1.00 0.00 H new