USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 20 HIS : no HE2:sc= -13.9! C(o=-13!,f=-15!) USER MOD Set 1.2: A 83 TYR OH : rot 0:sc= 0.744 USER MOD Set 2.1: A 58 ASN : amide:sc=-0.00118 X(o=-0.0012,f=-0.002) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 11 GLN :FLIP amide:sc= -0.758 F(o=-1.6!,f=-0.76) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0486 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.929 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 19:sc= 0.64 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 150:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 30:sc= 0.00804 USER MOD Single : A 28 LYS NZ :NH3+ -152:sc= 0.173 (180deg=0.00428) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00588) USER MOD Single : A 37 GLN : amide:sc= -3.81 X(o=-3.8,f=-3.5!) USER MOD Single : A 38 LYS NZ :NH3+ -126:sc= -1.12 (180deg=-3.28!) USER MOD Single : A 42 ASN : amide:sc= 0.00886 K(o=0.0089,f=-4.8!) USER MOD Single : A 43 GLN : amide:sc= -0.0079 K(o=-0.0079,f=-0.86) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc=-0.00518 X(o=-0.0052,f=0) USER MOD Single : A 48 SER OG : rot 95:sc= 0.341 USER MOD Single : A 54 GLN : amide:sc= -0.0256 X(o=-0.026,f=-0.26) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.96! USER MOD Single : A 67 THR OG1 : rot 18:sc= 0.332 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc=-0.00889 X(o=-0.0089,f=-0.14) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -158:sc= -0.0719 (180deg=-0.362) USER MOD Single : A 100 ASN : amide:sc= -1.91! C(o=-1.9!,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.255 16.649 17.454 1.00 0.00 N ATOM 2 CA GLY A 1 15.961 16.949 18.040 1.00 0.00 C ATOM 3 C GLY A 1 14.960 17.441 17.014 1.00 0.00 C ATOM 4 O GLY A 1 15.109 17.186 15.819 1.00 0.00 O ATOM 0 H1 GLY A 1 17.570 15.710 17.770 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.177 16.657 16.417 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.947 17.365 17.755 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.569 16.055 18.525 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.083 17.705 18.815 1.00 0.00 H new ATOM 8 N SER A 2 13.936 18.148 17.481 1.00 0.00 N ATOM 9 CA SER A 2 12.902 18.672 16.596 1.00 0.00 C ATOM 10 C SER A 2 12.483 17.624 15.569 1.00 0.00 C ATOM 11 O SER A 2 12.357 17.920 14.381 1.00 0.00 O ATOM 12 CB SER A 2 13.402 19.930 15.883 1.00 0.00 C ATOM 13 OG SER A 2 12.327 20.797 15.565 1.00 0.00 O ATOM 0 H SER A 2 13.800 18.371 18.467 1.00 0.00 H new ATOM 0 HA SER A 2 12.034 18.927 17.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.118 20.451 16.518 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.929 19.650 14.971 1.00 0.00 H new ATOM 0 HG SER A 2 12.673 21.594 15.112 1.00 0.00 H new ATOM 19 N SER A 3 12.270 16.399 16.037 1.00 0.00 N ATOM 20 CA SER A 3 11.869 15.305 15.160 1.00 0.00 C ATOM 21 C SER A 3 10.409 14.928 15.394 1.00 0.00 C ATOM 22 O SER A 3 10.054 14.398 16.445 1.00 0.00 O ATOM 23 CB SER A 3 12.765 14.086 15.388 1.00 0.00 C ATOM 24 OG SER A 3 12.575 13.550 16.686 1.00 0.00 O ATOM 0 H SER A 3 12.368 16.139 17.018 1.00 0.00 H new ATOM 0 HA SER A 3 11.979 15.640 14.129 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.545 13.324 14.640 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.810 14.369 15.257 1.00 0.00 H new ATOM 0 HG SER A 3 11.689 13.806 17.019 1.00 0.00 H new ATOM 30 N GLY A 4 9.567 15.207 14.403 1.00 0.00 N ATOM 31 CA GLY A 4 8.155 14.892 14.520 1.00 0.00 C ATOM 32 C GLY A 4 7.846 13.461 14.126 1.00 0.00 C ATOM 33 O GLY A 4 8.708 12.586 14.213 1.00 0.00 O ATOM 0 H GLY A 4 9.837 15.645 13.522 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.832 15.061 15.547 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.581 15.571 13.890 1.00 0.00 H new ATOM 37 N SER A 5 6.613 13.220 13.693 1.00 0.00 N ATOM 38 CA SER A 5 6.191 11.884 13.290 1.00 0.00 C ATOM 39 C SER A 5 6.585 11.604 11.843 1.00 0.00 C ATOM 40 O SER A 5 7.524 10.853 11.578 1.00 0.00 O ATOM 41 CB SER A 5 4.678 11.732 13.457 1.00 0.00 C ATOM 42 OG SER A 5 4.309 11.778 14.825 1.00 0.00 O ATOM 0 H SER A 5 5.888 13.933 13.612 1.00 0.00 H new ATOM 0 HA SER A 5 6.694 11.161 13.932 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.167 12.526 12.912 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.354 10.787 13.021 1.00 0.00 H new ATOM 0 HG SER A 5 3.337 11.680 14.905 1.00 0.00 H new ATOM 48 N SER A 6 5.859 12.212 10.910 1.00 0.00 N ATOM 49 CA SER A 6 6.129 12.026 9.489 1.00 0.00 C ATOM 50 C SER A 6 7.591 12.323 9.170 1.00 0.00 C ATOM 51 O SER A 6 8.062 13.445 9.352 1.00 0.00 O ATOM 52 CB SER A 6 5.219 12.928 8.653 1.00 0.00 C ATOM 53 OG SER A 6 5.548 14.295 8.837 1.00 0.00 O ATOM 0 H SER A 6 5.079 12.838 11.113 1.00 0.00 H new ATOM 0 HA SER A 6 5.925 10.985 9.239 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.312 12.667 7.599 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.179 12.760 8.933 1.00 0.00 H new ATOM 0 HG SER A 6 6.454 14.367 9.203 1.00 0.00 H new ATOM 59 N GLY A 7 8.304 11.307 8.693 1.00 0.00 N ATOM 60 CA GLY A 7 9.705 11.479 8.356 1.00 0.00 C ATOM 61 C GLY A 7 10.076 10.799 7.053 1.00 0.00 C ATOM 62 O GLY A 7 10.287 11.462 6.036 1.00 0.00 O ATOM 0 H GLY A 7 7.937 10.369 8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.930 12.543 8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.321 11.077 9.160 1.00 0.00 H new ATOM 66 N THR A 8 10.157 9.473 7.080 1.00 0.00 N ATOM 67 CA THR A 8 10.507 8.704 5.893 1.00 0.00 C ATOM 68 C THR A 8 9.534 7.549 5.679 1.00 0.00 C ATOM 69 O THR A 8 8.642 7.318 6.496 1.00 0.00 O ATOM 70 CB THR A 8 11.938 8.143 5.989 1.00 0.00 C ATOM 71 OG1 THR A 8 12.770 9.048 6.723 1.00 0.00 O ATOM 72 CG2 THR A 8 12.525 7.918 4.603 1.00 0.00 C ATOM 0 H THR A 8 9.985 8.909 7.912 1.00 0.00 H new ATOM 0 HA THR A 8 10.448 9.387 5.046 1.00 0.00 H new ATOM 0 HB THR A 8 11.896 7.186 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.678 8.684 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.536 7.522 4.696 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.905 7.207 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.555 8.864 4.062 1.00 0.00 H new ATOM 80 N ILE A 9 9.713 6.827 4.578 1.00 0.00 N ATOM 81 CA ILE A 9 8.852 5.696 4.259 1.00 0.00 C ATOM 82 C ILE A 9 8.902 4.640 5.358 1.00 0.00 C ATOM 83 O ILE A 9 7.871 4.257 5.913 1.00 0.00 O ATOM 84 CB ILE A 9 9.249 5.046 2.920 1.00 0.00 C ATOM 85 CG1 ILE A 9 9.238 6.087 1.800 1.00 0.00 C ATOM 86 CG2 ILE A 9 8.309 3.895 2.591 1.00 0.00 C ATOM 87 CD1 ILE A 9 7.947 6.870 1.714 1.00 0.00 C ATOM 0 H ILE A 9 10.447 7.006 3.892 1.00 0.00 H new ATOM 0 HA ILE A 9 7.837 6.085 4.178 1.00 0.00 H new ATOM 0 HB ILE A 9 10.260 4.649 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.065 6.781 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.414 5.586 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.602 3.446 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.363 3.145 3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.288 4.269 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.011 7.589 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.118 6.186 1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.780 7.400 2.652 1.00 0.00 H new ATOM 99 N SER A 10 10.107 4.174 5.670 1.00 0.00 N ATOM 100 CA SER A 10 10.292 3.161 6.702 1.00 0.00 C ATOM 101 C SER A 10 9.600 3.573 7.998 1.00 0.00 C ATOM 102 O SER A 10 9.122 2.728 8.754 1.00 0.00 O ATOM 103 CB SER A 10 11.782 2.928 6.957 1.00 0.00 C ATOM 104 OG SER A 10 12.409 4.109 7.428 1.00 0.00 O ATOM 0 H SER A 10 10.970 4.482 5.222 1.00 0.00 H new ATOM 0 HA SER A 10 9.842 2.233 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.909 2.129 7.687 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.265 2.598 6.037 1.00 0.00 H new ATOM 0 HG SER A 10 13.360 3.934 7.585 1.00 0.00 H new ATOM 110 N GLN A 11 9.552 4.878 8.246 1.00 0.00 N ATOM 111 CA GLN A 11 8.920 5.403 9.451 1.00 0.00 C ATOM 112 C GLN A 11 7.405 5.243 9.385 1.00 0.00 C ATOM 113 O GLN A 11 6.736 5.147 10.413 1.00 0.00 O ATOM 114 CB GLN A 11 9.282 6.877 9.640 1.00 0.00 C ATOM 115 CG GLN A 11 10.705 7.097 10.127 1.00 0.00 C ATOM 116 CD GLN A 11 11.111 6.113 11.206 1.00 0.00 C ATOM 117 OE1 GLN A 11 11.532 4.923 10.794 1.00 0.00 O flip ATOM 118 NE2 GLN A 11 11.048 6.420 12.397 1.00 0.00 N flip ATOM 0 H GLN A 11 9.943 5.590 7.629 1.00 0.00 H new ATOM 0 HA GLN A 11 9.290 4.833 10.303 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.146 7.400 8.693 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.590 7.324 10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.391 7.010 9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.800 8.112 10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.718 7.346 12.668 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.326 5.748 13.112 1.00 0.00 H new ATOM 127 N ARG A 12 6.870 5.217 8.168 1.00 0.00 N ATOM 128 CA ARG A 12 5.434 5.070 7.968 1.00 0.00 C ATOM 129 C ARG A 12 4.986 3.643 8.268 1.00 0.00 C ATOM 130 O ARG A 12 5.756 2.688 8.158 1.00 0.00 O ATOM 131 CB ARG A 12 5.056 5.444 6.533 1.00 0.00 C ATOM 132 CG ARG A 12 5.326 6.900 6.192 1.00 0.00 C ATOM 133 CD ARG A 12 4.613 7.839 7.154 1.00 0.00 C ATOM 134 NE ARG A 12 3.202 7.495 7.308 1.00 0.00 N ATOM 135 CZ ARG A 12 2.373 8.143 8.119 1.00 0.00 C ATOM 136 NH1 ARG A 12 2.811 9.162 8.845 1.00 0.00 N ATOM 137 NH2 ARG A 12 1.102 7.771 8.205 1.00 0.00 N ATOM 0 H ARG A 12 7.410 5.296 7.306 1.00 0.00 H new ATOM 0 HA ARG A 12 4.926 5.744 8.658 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.611 4.809 5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.998 5.234 6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.399 7.090 6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.997 7.103 5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.103 7.803 8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.699 8.863 6.792 1.00 0.00 H new ATOM 0 HE ARG A 12 2.833 6.715 6.764 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.787 9.451 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.172 9.657 9.467 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.761 6.987 7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.466 8.269 8.828 1.00 0.00 H new ATOM 151 N PRO A 13 3.711 3.491 8.656 1.00 0.00 N ATOM 152 CA PRO A 13 3.132 2.184 8.980 1.00 0.00 C ATOM 153 C PRO A 13 2.963 1.304 7.746 1.00 0.00 C ATOM 154 O PRO A 13 2.381 1.724 6.746 1.00 0.00 O ATOM 155 CB PRO A 13 1.767 2.539 9.574 1.00 0.00 C ATOM 156 CG PRO A 13 1.429 3.864 8.984 1.00 0.00 C ATOM 157 CD PRO A 13 2.736 4.585 8.809 1.00 0.00 C ATOM 0 HA PRO A 13 3.769 1.611 9.653 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.018 1.790 9.319 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.810 2.590 10.662 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.917 3.747 8.029 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.760 4.423 9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.722 5.236 7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.967 5.212 9.670 1.00 0.00 H new ATOM 165 N TYR A 14 3.475 0.080 7.824 1.00 0.00 N ATOM 166 CA TYR A 14 3.383 -0.859 6.713 1.00 0.00 C ATOM 167 C TYR A 14 2.072 -0.678 5.954 1.00 0.00 C ATOM 168 O TYR A 14 2.067 -0.290 4.786 1.00 0.00 O ATOM 169 CB TYR A 14 3.496 -2.297 7.223 1.00 0.00 C ATOM 170 CG TYR A 14 3.922 -3.284 6.160 1.00 0.00 C ATOM 171 CD1 TYR A 14 4.996 -3.011 5.321 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.251 -4.489 5.993 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.389 -3.910 4.348 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.638 -5.394 5.024 1.00 0.00 C ATOM 175 CZ TYR A 14 4.707 -5.100 4.204 1.00 0.00 C ATOM 176 OH TYR A 14 5.094 -5.999 3.236 1.00 0.00 O ATOM 0 H TYR A 14 3.958 -0.284 8.645 1.00 0.00 H new ATOM 0 HA TYR A 14 4.208 -0.657 6.030 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.213 -2.327 8.044 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.533 -2.606 7.629 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.533 -2.080 5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.412 -4.722 6.632 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.225 -3.682 3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.106 -6.327 4.909 1.00 0.00 H new ATOM 0 HH TYR A 14 4.887 -6.910 3.534 1.00 0.00 H new ATOM 186 N ARG A 15 0.962 -0.962 6.628 1.00 0.00 N ATOM 187 CA ARG A 15 -0.356 -0.831 6.018 1.00 0.00 C ATOM 188 C ARG A 15 -0.385 0.330 5.029 1.00 0.00 C ATOM 189 O ARG A 15 -0.670 0.144 3.846 1.00 0.00 O ATOM 190 CB ARG A 15 -1.422 -0.624 7.096 1.00 0.00 C ATOM 191 CG ARG A 15 -2.655 0.112 6.599 1.00 0.00 C ATOM 192 CD ARG A 15 -3.720 0.207 7.680 1.00 0.00 C ATOM 193 NE ARG A 15 -4.680 1.275 7.412 1.00 0.00 N ATOM 194 CZ ARG A 15 -4.422 2.562 7.614 1.00 0.00 C ATOM 195 NH1 ARG A 15 -3.241 2.939 8.085 1.00 0.00 N ATOM 196 NH2 ARG A 15 -5.347 3.475 7.346 1.00 0.00 N ATOM 0 H ARG A 15 0.949 -1.284 7.596 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.571 -1.752 5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.723 -1.595 7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.985 -0.066 7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.375 1.114 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.062 -0.404 5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.247 -0.744 7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.243 0.382 8.644 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.598 1.018 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.528 2.240 8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.046 3.928 8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.257 3.188 6.985 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.148 4.463 7.501 1.00 0.00 H new ATOM 210 N ASP A 16 -0.088 1.528 5.522 1.00 0.00 N ATOM 211 CA ASP A 16 -0.080 2.720 4.682 1.00 0.00 C ATOM 212 C ASP A 16 0.723 2.480 3.407 1.00 0.00 C ATOM 213 O ASP A 16 0.226 2.689 2.300 1.00 0.00 O ATOM 214 CB ASP A 16 0.502 3.907 5.450 1.00 0.00 C ATOM 215 CG ASP A 16 -0.525 4.581 6.339 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.103 3.892 7.205 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.749 5.797 6.168 1.00 0.00 O ATOM 0 H ASP A 16 0.150 1.699 6.499 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.110 2.947 4.405 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.339 3.566 6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.899 4.635 4.742 1.00 0.00 H new ATOM 222 N ARG A 17 1.967 2.042 3.571 1.00 0.00 N ATOM 223 CA ARG A 17 2.840 1.776 2.433 1.00 0.00 C ATOM 224 C ARG A 17 2.183 0.801 1.461 1.00 0.00 C ATOM 225 O ARG A 17 2.398 0.875 0.251 1.00 0.00 O ATOM 226 CB ARG A 17 4.179 1.212 2.911 1.00 0.00 C ATOM 227 CG ARG A 17 4.852 2.062 3.977 1.00 0.00 C ATOM 228 CD ARG A 17 6.079 1.370 4.549 1.00 0.00 C ATOM 229 NE ARG A 17 6.990 0.918 3.501 1.00 0.00 N ATOM 230 CZ ARG A 17 8.224 0.484 3.736 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.690 0.443 4.977 1.00 0.00 N ATOM 232 NH2 ARG A 17 8.993 0.089 2.730 1.00 0.00 N ATOM 0 H ARG A 17 2.393 1.864 4.480 1.00 0.00 H new ATOM 0 HA ARG A 17 3.015 2.718 1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.021 0.208 3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.850 1.117 2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.141 3.022 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.144 2.270 4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.604 2.055 5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.767 0.517 5.151 1.00 0.00 H new ATOM 0 HE ARG A 17 6.661 0.936 2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.101 0.745 5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.637 0.110 5.155 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.638 0.118 1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.940 -0.244 2.912 1.00 0.00 H new ATOM 246 N VAL A 18 1.382 -0.114 1.998 1.00 0.00 N ATOM 247 CA VAL A 18 0.694 -1.104 1.178 1.00 0.00 C ATOM 248 C VAL A 18 -0.435 -0.465 0.378 1.00 0.00 C ATOM 249 O VAL A 18 -0.410 -0.460 -0.853 1.00 0.00 O ATOM 250 CB VAL A 18 0.117 -2.243 2.040 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.635 -3.241 1.173 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.225 -2.932 2.822 1.00 0.00 C ATOM 0 H VAL A 18 1.194 -0.190 2.998 1.00 0.00 H new ATOM 0 HA VAL A 18 1.434 -1.517 0.492 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.588 -1.815 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.035 -4.038 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.454 -2.735 0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.045 -3.666 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.800 -3.734 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.955 -3.348 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.715 -2.208 3.473 1.00 0.00 H new ATOM 262 N ILE A 19 -1.424 0.072 1.084 1.00 0.00 N ATOM 263 CA ILE A 19 -2.561 0.716 0.439 1.00 0.00 C ATOM 264 C ILE A 19 -2.104 1.811 -0.518 1.00 0.00 C ATOM 265 O ILE A 19 -2.629 1.944 -1.623 1.00 0.00 O ATOM 266 CB ILE A 19 -3.526 1.324 1.474 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.834 2.446 2.251 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.030 0.248 2.424 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.713 3.082 3.305 1.00 0.00 C ATOM 0 H ILE A 19 -1.461 0.074 2.103 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.084 -0.058 -0.123 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.382 1.746 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.939 2.048 2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.507 3.214 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.711 0.693 3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.555 -0.521 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.185 -0.200 2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.158 3.869 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.597 3.510 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.019 2.326 4.028 1.00 0.00 H new ATOM 281 N HIS A 20 -1.119 2.593 -0.086 1.00 0.00 N ATOM 282 CA HIS A 20 -0.588 3.677 -0.905 1.00 0.00 C ATOM 283 C HIS A 20 -0.107 3.152 -2.255 1.00 0.00 C ATOM 284 O HIS A 20 -0.027 3.899 -3.231 1.00 0.00 O ATOM 285 CB HIS A 20 0.560 4.378 -0.179 1.00 0.00 C ATOM 286 CG HIS A 20 0.110 5.485 0.724 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.164 5.402 2.100 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.402 6.706 0.442 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.298 6.524 2.624 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.647 7.332 1.639 1.00 0.00 N ATOM 0 H HIS A 20 -0.673 2.496 0.826 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.390 4.395 -1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.111 3.643 0.408 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.253 4.781 -0.917 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.507 4.601 2.630 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.584 7.112 -0.542 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.377 6.743 3.679 1.00 0.00 H new ATOM 298 N LEU A 21 0.212 1.863 -2.303 1.00 0.00 N ATOM 299 CA LEU A 21 0.686 1.238 -3.533 1.00 0.00 C ATOM 300 C LEU A 21 -0.479 0.678 -4.343 1.00 0.00 C ATOM 301 O LEU A 21 -0.618 0.968 -5.532 1.00 0.00 O ATOM 302 CB LEU A 21 1.681 0.121 -3.210 1.00 0.00 C ATOM 303 CG LEU A 21 3.071 0.571 -2.759 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.897 -0.623 -2.307 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.779 1.318 -3.880 1.00 0.00 C ATOM 0 H LEU A 21 0.151 1.231 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 21 1.186 2.001 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.252 -0.505 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.793 -0.506 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 21 2.957 1.249 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.883 -0.284 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.397 -1.117 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.004 -1.326 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.767 1.631 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.882 0.663 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.196 2.196 -4.157 1.00 0.00 H new ATOM 317 N LEU A 22 -1.314 -0.124 -3.692 1.00 0.00 N ATOM 318 CA LEU A 22 -2.470 -0.723 -4.351 1.00 0.00 C ATOM 319 C LEU A 22 -3.401 0.353 -4.901 1.00 0.00 C ATOM 320 O LEU A 22 -4.078 0.146 -5.908 1.00 0.00 O ATOM 321 CB LEU A 22 -3.230 -1.621 -3.374 1.00 0.00 C ATOM 322 CG LEU A 22 -2.513 -2.901 -2.943 1.00 0.00 C ATOM 323 CD1 LEU A 22 -2.976 -3.332 -1.560 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.748 -4.012 -3.956 1.00 0.00 C ATOM 0 H LEU A 22 -1.213 -0.375 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.110 -1.327 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.461 -1.039 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.181 -1.897 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.443 -2.698 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.455 -4.244 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.755 -2.544 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.050 -3.517 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.230 -4.915 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.816 -4.214 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.366 -3.704 -4.929 1.00 0.00 H new ATOM 336 N ALA A 23 -3.429 1.502 -4.234 1.00 0.00 N ATOM 337 CA ALA A 23 -4.274 2.611 -4.658 1.00 0.00 C ATOM 338 C ALA A 23 -4.107 2.890 -6.148 1.00 0.00 C ATOM 339 O ALA A 23 -5.049 2.737 -6.927 1.00 0.00 O ATOM 340 CB ALA A 23 -3.954 3.858 -3.847 1.00 0.00 C ATOM 0 H ALA A 23 -2.876 1.689 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.313 2.332 -4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.592 4.679 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.131 3.660 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.909 4.130 -3.995 1.00 0.00 H new ATOM 346 N LEU A 24 -2.906 3.300 -6.538 1.00 0.00 N ATOM 347 CA LEU A 24 -2.616 3.601 -7.935 1.00 0.00 C ATOM 348 C LEU A 24 -3.161 2.509 -8.851 1.00 0.00 C ATOM 349 O LEU A 24 -3.780 2.796 -9.876 1.00 0.00 O ATOM 350 CB LEU A 24 -1.108 3.751 -8.143 1.00 0.00 C ATOM 351 CG LEU A 24 -0.513 5.113 -7.782 1.00 0.00 C ATOM 352 CD1 LEU A 24 0.934 5.202 -8.242 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.339 6.235 -8.394 1.00 0.00 C ATOM 0 H LEU A 24 -2.116 3.432 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.106 4.541 -8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.602 2.988 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.883 3.545 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.536 5.222 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.341 6.178 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.519 4.421 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.981 5.071 -9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.901 7.197 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.349 6.130 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.360 6.183 -8.015 1.00 0.00 H new ATOM 365 N LYS A 25 -2.927 1.257 -8.474 1.00 0.00 N ATOM 366 CA LYS A 25 -3.397 0.121 -9.259 1.00 0.00 C ATOM 367 C LYS A 25 -3.334 -1.167 -8.444 1.00 0.00 C ATOM 368 O LYS A 25 -2.736 -1.203 -7.369 1.00 0.00 O ATOM 369 CB LYS A 25 -2.560 -0.027 -10.531 1.00 0.00 C ATOM 370 CG LYS A 25 -1.194 -0.647 -10.292 1.00 0.00 C ATOM 371 CD LYS A 25 -0.547 -1.090 -11.594 1.00 0.00 C ATOM 372 CE LYS A 25 0.556 -2.108 -11.350 1.00 0.00 C ATOM 373 NZ LYS A 25 1.529 -2.153 -12.476 1.00 0.00 N ATOM 0 H LYS A 25 -2.415 1.003 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.435 0.306 -9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.108 -0.640 -11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.429 0.955 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.549 0.074 -9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.294 -1.503 -9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.304 -1.522 -12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.136 -0.223 -12.111 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.080 -1.861 -10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.115 -3.095 -11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.265 -2.859 -12.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.034 -2.414 -13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.969 -1.218 -12.592 1.00 0.00 H new ATOM 387 N ALA A 26 -3.953 -2.221 -8.963 1.00 0.00 N ATOM 388 CA ALA A 26 -3.964 -3.512 -8.285 1.00 0.00 C ATOM 389 C ALA A 26 -2.584 -4.160 -8.316 1.00 0.00 C ATOM 390 O ALA A 26 -1.883 -4.102 -9.327 1.00 0.00 O ATOM 391 CB ALA A 26 -4.996 -4.432 -8.919 1.00 0.00 C ATOM 0 H ALA A 26 -4.454 -2.207 -9.851 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.234 -3.345 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.993 -5.392 -8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.985 -3.980 -8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.751 -4.584 -9.970 1.00 0.00 H new ATOM 397 N TYR A 27 -2.200 -4.776 -7.204 1.00 0.00 N ATOM 398 CA TYR A 27 -0.902 -5.433 -7.103 1.00 0.00 C ATOM 399 C TYR A 27 -1.050 -6.854 -6.570 1.00 0.00 C ATOM 400 O TYR A 27 -2.031 -7.180 -5.900 1.00 0.00 O ATOM 401 CB TYR A 27 0.030 -4.630 -6.194 1.00 0.00 C ATOM 402 CG TYR A 27 0.820 -3.567 -6.924 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.238 -2.352 -7.265 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.149 -3.777 -7.270 1.00 0.00 C ATOM 405 CE1 TYR A 27 0.956 -1.379 -7.932 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.875 -2.808 -7.936 1.00 0.00 C ATOM 407 CZ TYR A 27 2.274 -1.611 -8.265 1.00 0.00 C ATOM 408 OH TYR A 27 2.993 -0.644 -8.929 1.00 0.00 O ATOM 0 H TYR A 27 -2.769 -4.834 -6.359 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.470 -5.483 -8.103 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.560 -4.157 -5.409 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.723 -5.313 -5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.793 -2.166 -7.004 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.623 -4.713 -7.014 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.488 -0.441 -8.192 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.907 -2.987 -8.197 1.00 0.00 H new ATOM 0 HH TYR A 27 2.655 0.242 -8.682 1.00 0.00 H new ATOM 418 N LYS A 28 -0.069 -7.698 -6.872 1.00 0.00 N ATOM 419 CA LYS A 28 -0.087 -9.085 -6.423 1.00 0.00 C ATOM 420 C LYS A 28 0.752 -9.259 -5.161 1.00 0.00 C ATOM 421 O LYS A 28 1.735 -8.547 -4.953 1.00 0.00 O ATOM 422 CB LYS A 28 0.437 -10.007 -7.527 1.00 0.00 C ATOM 423 CG LYS A 28 -0.353 -9.914 -8.822 1.00 0.00 C ATOM 424 CD LYS A 28 0.228 -8.865 -9.755 1.00 0.00 C ATOM 425 CE LYS A 28 -0.848 -8.240 -10.630 1.00 0.00 C ATOM 426 NZ LYS A 28 -0.380 -6.978 -11.269 1.00 0.00 N ATOM 0 H LYS A 28 0.749 -7.445 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.118 -9.353 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.480 -9.762 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.414 -11.037 -7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.354 -10.884 -9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.391 -9.669 -8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.719 -8.088 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.992 -9.320 -10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.145 -8.949 -11.402 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.733 -8.035 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.194 -6.355 -11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.294 -6.498 -10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.088 -7.198 -12.171 1.00 0.00 H new ATOM 440 N LYS A 29 0.359 -10.211 -4.322 1.00 0.00 N ATOM 441 CA LYS A 29 1.076 -10.481 -3.081 1.00 0.00 C ATOM 442 C LYS A 29 2.580 -10.312 -3.273 1.00 0.00 C ATOM 443 O LYS A 29 3.242 -9.569 -2.549 1.00 0.00 O ATOM 444 CB LYS A 29 0.770 -11.898 -2.590 1.00 0.00 C ATOM 445 CG LYS A 29 1.793 -12.433 -1.602 1.00 0.00 C ATOM 446 CD LYS A 29 1.429 -12.073 -0.172 1.00 0.00 C ATOM 447 CE LYS A 29 2.668 -11.898 0.692 1.00 0.00 C ATOM 448 NZ LYS A 29 3.453 -13.159 0.798 1.00 0.00 N ATOM 0 H LYS A 29 -0.452 -10.809 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 29 0.740 -9.763 -2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.214 -11.907 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.721 -12.568 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.862 -13.516 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.777 -12.029 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.846 -11.152 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.797 -12.854 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.297 -11.113 0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.372 -11.569 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.261 -13.012 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.847 -13.915 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.800 -13.432 -0.144 1.00 0.00 H new ATOM 462 N PRO A 30 3.132 -11.015 -4.273 1.00 0.00 N ATOM 463 CA PRO A 30 4.563 -10.957 -4.585 1.00 0.00 C ATOM 464 C PRO A 30 4.975 -9.612 -5.173 1.00 0.00 C ATOM 465 O PRO A 30 5.939 -8.996 -4.721 1.00 0.00 O ATOM 466 CB PRO A 30 4.747 -12.072 -5.618 1.00 0.00 C ATOM 467 CG PRO A 30 3.407 -12.224 -6.253 1.00 0.00 C ATOM 468 CD PRO A 30 2.402 -11.921 -5.176 1.00 0.00 C ATOM 0 HA PRO A 30 5.179 -11.077 -3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.506 -11.809 -6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.069 -13.000 -5.146 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.294 -11.541 -7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.271 -13.234 -6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.508 -11.449 -5.582 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.079 -12.826 -4.662 1.00 0.00 H new ATOM 476 N GLU A 31 4.237 -9.163 -6.184 1.00 0.00 N ATOM 477 CA GLU A 31 4.527 -7.890 -6.833 1.00 0.00 C ATOM 478 C GLU A 31 4.517 -6.748 -5.821 1.00 0.00 C ATOM 479 O GLU A 31 5.542 -6.108 -5.581 1.00 0.00 O ATOM 480 CB GLU A 31 3.507 -7.613 -7.940 1.00 0.00 C ATOM 481 CG GLU A 31 3.941 -6.528 -8.911 1.00 0.00 C ATOM 482 CD GLU A 31 2.848 -6.150 -9.891 1.00 0.00 C ATOM 483 OE1 GLU A 31 1.844 -5.547 -9.455 1.00 0.00 O ATOM 484 OE2 GLU A 31 2.995 -6.456 -11.092 1.00 0.00 O ATOM 0 H GLU A 31 3.435 -9.661 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 31 5.522 -7.954 -7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.326 -8.534 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.560 -7.324 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.243 -5.643 -8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.817 -6.869 -9.463 1.00 0.00 H new ATOM 491 N LEU A 32 3.354 -6.498 -5.232 1.00 0.00 N ATOM 492 CA LEU A 32 3.209 -5.432 -4.246 1.00 0.00 C ATOM 493 C LEU A 32 4.436 -5.357 -3.342 1.00 0.00 C ATOM 494 O LEU A 32 4.942 -4.271 -3.054 1.00 0.00 O ATOM 495 CB LEU A 32 1.953 -5.659 -3.402 1.00 0.00 C ATOM 496 CG LEU A 32 1.268 -4.400 -2.867 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.231 -4.763 -1.816 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.297 -3.436 -2.294 1.00 0.00 C ATOM 0 H LEU A 32 2.497 -7.018 -5.419 1.00 0.00 H new ATOM 0 HA LEU A 32 3.115 -4.486 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.232 -6.214 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.218 -6.292 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 32 0.759 -3.906 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.246 -3.855 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.523 -5.415 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.717 -5.280 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.792 -2.546 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.835 -3.920 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.002 -3.151 -3.074 1.00 0.00 H new ATOM 510 N LEU A 33 4.911 -6.516 -2.900 1.00 0.00 N ATOM 511 CA LEU A 33 6.081 -6.582 -2.031 1.00 0.00 C ATOM 512 C LEU A 33 7.277 -5.886 -2.674 1.00 0.00 C ATOM 513 O LEU A 33 7.782 -4.892 -2.153 1.00 0.00 O ATOM 514 CB LEU A 33 6.430 -8.039 -1.723 1.00 0.00 C ATOM 515 CG LEU A 33 5.788 -8.631 -0.468 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.908 -10.147 -0.472 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.425 -8.047 0.784 1.00 0.00 C ATOM 0 H LEU A 33 4.504 -7.423 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 33 5.841 -6.067 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.140 -8.650 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.513 -8.120 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 33 4.730 -8.371 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.446 -10.551 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.404 -10.550 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.961 -10.429 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.955 -8.480 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.491 -8.276 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.286 -6.966 0.792 1.00 0.00 H new ATOM 529 N ALA A 34 7.722 -6.414 -3.809 1.00 0.00 N ATOM 530 CA ALA A 34 8.855 -5.841 -4.525 1.00 0.00 C ATOM 531 C ALA A 34 8.912 -4.328 -4.342 1.00 0.00 C ATOM 532 O ALA A 34 9.946 -3.778 -3.960 1.00 0.00 O ATOM 533 CB ALA A 34 8.778 -6.193 -6.003 1.00 0.00 C ATOM 0 H ALA A 34 7.315 -7.238 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 34 9.768 -6.266 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.630 -5.759 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.794 -7.277 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.854 -5.796 -6.424 1.00 0.00 H new ATOM 539 N ARG A 35 7.796 -3.661 -4.617 1.00 0.00 N ATOM 540 CA ARG A 35 7.721 -2.211 -4.484 1.00 0.00 C ATOM 541 C ARG A 35 8.210 -1.765 -3.110 1.00 0.00 C ATOM 542 O ARG A 35 8.994 -0.822 -2.994 1.00 0.00 O ATOM 543 CB ARG A 35 6.285 -1.732 -4.707 1.00 0.00 C ATOM 544 CG ARG A 35 5.926 -1.544 -6.172 1.00 0.00 C ATOM 545 CD ARG A 35 6.722 -0.411 -6.800 1.00 0.00 C ATOM 546 NE ARG A 35 5.997 0.225 -7.897 1.00 0.00 N ATOM 547 CZ ARG A 35 6.269 1.444 -8.348 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.245 2.155 -7.800 1.00 0.00 N ATOM 549 NH2 ARG A 35 5.565 1.955 -9.350 1.00 0.00 N ATOM 0 H ARG A 35 6.932 -4.101 -4.933 1.00 0.00 H new ATOM 0 HA ARG A 35 8.367 -1.767 -5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.598 -2.452 -4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.140 -0.788 -4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.117 -2.469 -6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.860 -1.335 -6.263 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.954 0.334 -6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.672 -0.797 -7.169 1.00 0.00 H new ATOM 0 HE ARG A 35 5.240 -0.296 -8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.789 1.766 -7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.452 3.091 -8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.814 1.411 -9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.775 2.891 -9.695 1.00 0.00 H new ATOM 563 N LEU A 36 7.742 -2.447 -2.071 1.00 0.00 N ATOM 564 CA LEU A 36 8.131 -2.121 -0.703 1.00 0.00 C ATOM 565 C LEU A 36 9.532 -2.639 -0.397 1.00 0.00 C ATOM 566 O LEU A 36 10.405 -1.882 0.026 1.00 0.00 O ATOM 567 CB LEU A 36 7.128 -2.715 0.289 1.00 0.00 C ATOM 568 CG LEU A 36 5.701 -2.171 0.207 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.700 -3.234 0.631 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.556 -0.924 1.068 1.00 0.00 C ATOM 0 H LEU A 36 7.092 -3.230 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 36 8.134 -1.036 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.093 -3.794 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.502 -2.546 1.299 1.00 0.00 H new ATOM 0 HG LEU A 36 5.494 -1.899 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.690 -2.829 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.787 -4.099 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.904 -3.537 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.535 -0.550 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.782 -1.170 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.248 -0.158 0.718 1.00 0.00 H new ATOM 582 N GLN A 37 9.741 -3.933 -0.617 1.00 0.00 N ATOM 583 CA GLN A 37 11.037 -4.551 -0.366 1.00 0.00 C ATOM 584 C GLN A 37 12.163 -3.717 -0.967 1.00 0.00 C ATOM 585 O GLN A 37 13.299 -3.754 -0.494 1.00 0.00 O ATOM 586 CB GLN A 37 11.071 -5.967 -0.945 1.00 0.00 C ATOM 587 CG GLN A 37 10.194 -6.953 -0.191 1.00 0.00 C ATOM 588 CD GLN A 37 10.943 -7.678 0.910 1.00 0.00 C ATOM 589 OE1 GLN A 37 10.590 -8.797 1.285 1.00 0.00 O ATOM 590 NE2 GLN A 37 11.984 -7.043 1.436 1.00 0.00 N ATOM 0 H GLN A 37 9.029 -4.574 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 37 11.184 -4.603 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.752 -5.932 -1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.099 -6.329 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.346 -6.422 0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.790 -7.683 -0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.242 -6.117 1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.526 -7.482 2.181 1.00 0.00 H new ATOM 599 N LYS A 38 11.842 -2.964 -2.014 1.00 0.00 N ATOM 600 CA LYS A 38 12.825 -2.119 -2.681 1.00 0.00 C ATOM 601 C LYS A 38 13.546 -1.227 -1.675 1.00 0.00 C ATOM 602 O LYS A 38 14.771 -1.104 -1.707 1.00 0.00 O ATOM 603 CB LYS A 38 12.147 -1.258 -3.749 1.00 0.00 C ATOM 604 CG LYS A 38 12.143 -1.892 -5.129 1.00 0.00 C ATOM 605 CD LYS A 38 11.737 -0.893 -6.200 1.00 0.00 C ATOM 606 CE LYS A 38 10.230 -0.690 -6.230 1.00 0.00 C ATOM 607 NZ LYS A 38 9.843 0.468 -7.083 1.00 0.00 N ATOM 0 H LYS A 38 10.907 -2.922 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 38 13.560 -2.766 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.119 -1.061 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.654 -0.294 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.135 -2.284 -5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.456 -2.738 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.230 0.061 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.077 -1.244 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.749 -1.594 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.865 -0.532 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.250 1.122 -6.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.699 0.964 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.310 0.128 -7.909 1.00 0.00 H new ATOM 621 N ASP A 39 12.780 -0.608 -0.784 1.00 0.00 N ATOM 622 CA ASP A 39 13.347 0.271 0.232 1.00 0.00 C ATOM 623 C ASP A 39 13.737 -0.520 1.478 1.00 0.00 C ATOM 624 O ASP A 39 14.640 -0.129 2.216 1.00 0.00 O ATOM 625 CB ASP A 39 12.348 1.369 0.602 1.00 0.00 C ATOM 626 CG ASP A 39 12.483 2.595 -0.279 1.00 0.00 C ATOM 627 OD1 ASP A 39 12.236 2.480 -1.498 1.00 0.00 O ATOM 628 OD2 ASP A 39 12.836 3.669 0.251 1.00 0.00 O ATOM 0 H ASP A 39 11.765 -0.699 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 39 14.245 0.731 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.334 0.976 0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.496 1.655 1.643 1.00 0.00 H new ATOM 633 N GLY A 40 13.048 -1.634 1.705 1.00 0.00 N ATOM 634 CA GLY A 40 13.337 -2.461 2.862 1.00 0.00 C ATOM 635 C GLY A 40 12.085 -2.847 3.625 1.00 0.00 C ATOM 636 O GLY A 40 11.460 -2.007 4.273 1.00 0.00 O ATOM 0 H GLY A 40 12.295 -1.978 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.855 -3.364 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.014 -1.926 3.528 1.00 0.00 H new ATOM 640 N VAL A 41 11.717 -4.122 3.549 1.00 0.00 N ATOM 641 CA VAL A 41 10.531 -4.618 4.237 1.00 0.00 C ATOM 642 C VAL A 41 10.911 -5.498 5.423 1.00 0.00 C ATOM 643 O VAL A 41 11.818 -6.324 5.329 1.00 0.00 O ATOM 644 CB VAL A 41 9.624 -5.421 3.286 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.672 -6.306 4.075 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.856 -4.485 2.366 1.00 0.00 C ATOM 0 H VAL A 41 12.223 -4.830 3.018 1.00 0.00 H new ATOM 0 HA VAL A 41 9.986 -3.745 4.596 1.00 0.00 H new ATOM 0 HB VAL A 41 10.252 -6.064 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.040 -6.865 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.245 -7.002 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.048 -5.686 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.220 -5.069 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.238 -3.815 2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.559 -3.899 1.774 1.00 0.00 H new ATOM 656 N ASN A 42 10.211 -5.315 6.537 1.00 0.00 N ATOM 657 CA ASN A 42 10.475 -6.092 7.742 1.00 0.00 C ATOM 658 C ASN A 42 9.906 -7.502 7.616 1.00 0.00 C ATOM 659 O ASN A 42 8.945 -7.730 6.882 1.00 0.00 O ATOM 660 CB ASN A 42 9.875 -5.396 8.965 1.00 0.00 C ATOM 661 CG ASN A 42 10.407 -5.958 10.270 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.377 -6.716 10.282 1.00 0.00 O ATOM 663 ND2 ASN A 42 9.773 -5.588 11.376 1.00 0.00 N ATOM 0 H ASN A 42 9.456 -4.635 6.630 1.00 0.00 H new ATOM 0 HA ASN A 42 11.555 -6.165 7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.094 -4.329 8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.790 -5.500 8.943 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.086 -5.934 12.283 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.973 -4.958 11.319 1.00 0.00 H new ATOM 670 N GLN A 43 10.506 -8.444 8.336 1.00 0.00 N ATOM 671 CA GLN A 43 10.059 -9.831 8.305 1.00 0.00 C ATOM 672 C GLN A 43 8.643 -9.959 8.856 1.00 0.00 C ATOM 673 O GLN A 43 7.766 -10.541 8.217 1.00 0.00 O ATOM 674 CB GLN A 43 11.014 -10.716 9.108 1.00 0.00 C ATOM 675 CG GLN A 43 11.086 -12.148 8.604 1.00 0.00 C ATOM 676 CD GLN A 43 12.353 -12.857 9.039 1.00 0.00 C ATOM 677 OE1 GLN A 43 13.072 -12.384 9.920 1.00 0.00 O ATOM 678 NE2 GLN A 43 12.634 -14.000 8.423 1.00 0.00 N ATOM 0 H GLN A 43 11.303 -8.272 8.948 1.00 0.00 H new ATOM 0 HA GLN A 43 10.056 -10.162 7.266 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.012 -10.279 9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.699 -10.722 10.152 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.221 -12.702 8.969 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.029 -12.149 7.515 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.010 -14.356 7.698 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.473 -14.522 8.675 1.00 0.00 H new ATOM 687 N LYS A 44 8.426 -9.413 10.048 1.00 0.00 N ATOM 688 CA LYS A 44 7.116 -9.465 10.687 1.00 0.00 C ATOM 689 C LYS A 44 6.030 -8.957 9.744 1.00 0.00 C ATOM 690 O LYS A 44 4.878 -9.385 9.821 1.00 0.00 O ATOM 691 CB LYS A 44 7.120 -8.633 11.972 1.00 0.00 C ATOM 692 CG LYS A 44 6.721 -7.183 11.759 1.00 0.00 C ATOM 693 CD LYS A 44 6.750 -6.401 13.061 1.00 0.00 C ATOM 694 CE LYS A 44 6.126 -5.023 12.898 1.00 0.00 C ATOM 695 NZ LYS A 44 6.197 -4.229 14.156 1.00 0.00 N ATOM 0 H LYS A 44 9.141 -8.929 10.591 1.00 0.00 H new ATOM 0 HA LYS A 44 6.901 -10.505 10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.438 -9.087 12.691 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.116 -8.666 12.413 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.397 -6.720 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.720 -7.139 11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.214 -6.955 13.832 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.780 -6.297 13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.637 -4.485 12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.085 -5.130 12.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.761 -3.297 14.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.687 -4.730 14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.192 -4.105 14.433 1.00 0.00 H new ATOM 709 N ASP A 45 6.405 -8.045 8.854 1.00 0.00 N ATOM 710 CA ASP A 45 5.463 -7.481 7.893 1.00 0.00 C ATOM 711 C ASP A 45 5.240 -8.437 6.726 1.00 0.00 C ATOM 712 O ASP A 45 4.135 -8.536 6.193 1.00 0.00 O ATOM 713 CB ASP A 45 5.974 -6.135 7.376 1.00 0.00 C ATOM 714 CG ASP A 45 5.622 -4.988 8.303 1.00 0.00 C ATOM 715 OD1 ASP A 45 4.452 -4.912 8.734 1.00 0.00 O ATOM 716 OD2 ASP A 45 6.515 -4.166 8.596 1.00 0.00 O ATOM 0 H ASP A 45 7.354 -7.680 8.778 1.00 0.00 H new ATOM 0 HA ASP A 45 4.511 -7.328 8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.056 -6.182 7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.552 -5.944 6.389 1.00 0.00 H new ATOM 721 N LYS A 46 6.297 -9.139 6.332 1.00 0.00 N ATOM 722 CA LYS A 46 6.218 -10.088 5.228 1.00 0.00 C ATOM 723 C LYS A 46 5.155 -11.148 5.496 1.00 0.00 C ATOM 724 O LYS A 46 4.402 -11.526 4.600 1.00 0.00 O ATOM 725 CB LYS A 46 7.576 -10.758 5.006 1.00 0.00 C ATOM 726 CG LYS A 46 8.468 -10.015 4.026 1.00 0.00 C ATOM 727 CD LYS A 46 9.905 -10.504 4.098 1.00 0.00 C ATOM 728 CE LYS A 46 10.023 -11.953 3.651 1.00 0.00 C ATOM 729 NZ LYS A 46 11.429 -12.439 3.711 1.00 0.00 N ATOM 0 H LYS A 46 7.219 -9.068 6.761 1.00 0.00 H new ATOM 0 HA LYS A 46 5.939 -9.538 4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.092 -10.841 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.416 -11.773 4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.088 -10.149 3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.435 -8.947 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.536 -9.876 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.273 -10.406 5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.395 -12.580 4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.648 -12.050 2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.467 -13.430 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.025 -11.857 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.779 -12.370 4.688 1.00 0.00 H new ATOM 743 N ASN A 47 5.098 -11.622 6.736 1.00 0.00 N ATOM 744 CA ASN A 47 4.125 -12.638 7.123 1.00 0.00 C ATOM 745 C ASN A 47 2.777 -12.003 7.450 1.00 0.00 C ATOM 746 O ASN A 47 1.728 -12.621 7.266 1.00 0.00 O ATOM 747 CB ASN A 47 4.635 -13.430 8.328 1.00 0.00 C ATOM 748 CG ASN A 47 5.690 -14.450 7.946 1.00 0.00 C ATOM 749 OD1 ASN A 47 6.860 -14.312 8.303 1.00 0.00 O ATOM 750 ND2 ASN A 47 5.280 -15.480 7.216 1.00 0.00 N ATOM 0 H ASN A 47 5.714 -11.319 7.490 1.00 0.00 H new ATOM 0 HA ASN A 47 3.992 -13.317 6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.050 -12.740 9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.798 -13.939 8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.945 -16.198 6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.300 -15.554 6.943 1.00 0.00 H new ATOM 757 N SER A 48 2.813 -10.766 7.935 1.00 0.00 N ATOM 758 CA SER A 48 1.595 -10.049 8.291 1.00 0.00 C ATOM 759 C SER A 48 1.052 -9.273 7.095 1.00 0.00 C ATOM 760 O SER A 48 0.111 -8.489 7.223 1.00 0.00 O ATOM 761 CB SER A 48 1.863 -9.092 9.455 1.00 0.00 C ATOM 762 OG SER A 48 2.127 -9.805 10.650 1.00 0.00 O ATOM 0 H SER A 48 3.673 -10.240 8.090 1.00 0.00 H new ATOM 0 HA SER A 48 0.848 -10.781 8.596 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.711 -8.451 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.002 -8.440 9.600 1.00 0.00 H new ATOM 0 HG SER A 48 3.095 -9.901 10.767 1.00 0.00 H new ATOM 768 N LEU A 49 1.652 -9.497 5.931 1.00 0.00 N ATOM 769 CA LEU A 49 1.230 -8.820 4.709 1.00 0.00 C ATOM 770 C LEU A 49 -0.080 -9.403 4.188 1.00 0.00 C ATOM 771 O LEU A 49 -1.119 -8.746 4.218 1.00 0.00 O ATOM 772 CB LEU A 49 2.315 -8.936 3.638 1.00 0.00 C ATOM 773 CG LEU A 49 2.301 -7.862 2.549 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.282 -8.212 1.441 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.897 -7.692 1.987 1.00 0.00 C ATOM 0 H LEU A 49 2.432 -10.142 5.807 1.00 0.00 H new ATOM 0 HA LEU A 49 1.070 -7.767 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.287 -8.913 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.223 -9.911 3.160 1.00 0.00 H new ATOM 0 HG LEU A 49 2.610 -6.916 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.258 -7.436 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.288 -8.283 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.004 -9.168 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.905 -6.924 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.560 -8.636 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.219 -7.394 2.787 1.00 0.00 H new ATOM 787 N GLY A 50 -0.021 -10.643 3.712 1.00 0.00 N ATOM 788 CA GLY A 50 -1.209 -11.295 3.193 1.00 0.00 C ATOM 789 C GLY A 50 -2.459 -10.922 3.965 1.00 0.00 C ATOM 790 O GLY A 50 -3.552 -10.869 3.401 1.00 0.00 O ATOM 0 H GLY A 50 0.828 -11.207 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.339 -11.026 2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.072 -12.376 3.230 1.00 0.00 H new ATOM 794 N ALA A 51 -2.299 -10.666 5.259 1.00 0.00 N ATOM 795 CA ALA A 51 -3.424 -10.296 6.109 1.00 0.00 C ATOM 796 C ALA A 51 -3.895 -8.877 5.810 1.00 0.00 C ATOM 797 O ALA A 51 -5.089 -8.632 5.638 1.00 0.00 O ATOM 798 CB ALA A 51 -3.043 -10.429 7.576 1.00 0.00 C ATOM 0 H ALA A 51 -1.401 -10.708 5.742 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.248 -10.977 5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.892 -10.150 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.762 -11.461 7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.201 -9.772 7.794 1.00 0.00 H new ATOM 804 N ILE A 52 -2.949 -7.945 5.751 1.00 0.00 N ATOM 805 CA ILE A 52 -3.269 -6.550 5.472 1.00 0.00 C ATOM 806 C ILE A 52 -3.962 -6.404 4.121 1.00 0.00 C ATOM 807 O ILE A 52 -4.960 -5.693 3.997 1.00 0.00 O ATOM 808 CB ILE A 52 -2.005 -5.670 5.486 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.331 -5.729 6.858 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.356 -4.234 5.124 1.00 0.00 C ATOM 811 CD1 ILE A 52 0.068 -5.154 6.870 1.00 0.00 C ATOM 0 H ILE A 52 -1.956 -8.130 5.892 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.943 -6.217 6.261 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.306 -6.052 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.944 -5.187 7.578 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.291 -6.766 7.190 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.453 -3.624 5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.796 -4.207 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.071 -3.841 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.484 -5.229 7.875 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.696 -5.711 6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.034 -4.107 6.569 1.00 0.00 H new ATOM 823 N LEU A 53 -3.427 -7.082 3.112 1.00 0.00 N ATOM 824 CA LEU A 53 -3.995 -7.030 1.769 1.00 0.00 C ATOM 825 C LEU A 53 -5.490 -7.327 1.799 1.00 0.00 C ATOM 826 O LEU A 53 -6.265 -6.734 1.048 1.00 0.00 O ATOM 827 CB LEU A 53 -3.283 -8.028 0.854 1.00 0.00 C ATOM 828 CG LEU A 53 -1.900 -7.610 0.352 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.151 -8.809 -0.208 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.022 -6.516 -0.698 1.00 0.00 C ATOM 0 H LEU A 53 -2.601 -7.674 3.198 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.851 -6.022 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.183 -8.973 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.920 -8.216 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.333 -7.215 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.169 -8.493 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.032 -9.560 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.715 -9.235 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.028 -6.231 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.608 -6.884 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.518 -5.648 -0.263 1.00 0.00 H new ATOM 842 N GLN A 54 -5.889 -8.246 2.672 1.00 0.00 N ATOM 843 CA GLN A 54 -7.293 -8.620 2.800 1.00 0.00 C ATOM 844 C GLN A 54 -8.018 -7.688 3.765 1.00 0.00 C ATOM 845 O GLN A 54 -9.247 -7.685 3.833 1.00 0.00 O ATOM 846 CB GLN A 54 -7.415 -10.067 3.280 1.00 0.00 C ATOM 847 CG GLN A 54 -8.797 -10.418 3.808 1.00 0.00 C ATOM 848 CD GLN A 54 -9.138 -11.883 3.622 1.00 0.00 C ATOM 849 OE1 GLN A 54 -9.010 -12.427 2.525 1.00 0.00 O ATOM 850 NE2 GLN A 54 -9.575 -12.530 4.696 1.00 0.00 N ATOM 0 H GLN A 54 -5.260 -8.745 3.301 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.759 -8.530 1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.169 -10.737 2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.679 -10.244 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.851 -10.168 4.868 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.542 -9.808 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.666 -12.039 5.585 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.820 -13.518 4.632 1.00 0.00 H new ATOM 859 N GLN A 55 -7.250 -6.900 4.510 1.00 0.00 N ATOM 860 CA GLN A 55 -7.820 -5.965 5.472 1.00 0.00 C ATOM 861 C GLN A 55 -8.027 -4.592 4.840 1.00 0.00 C ATOM 862 O GLN A 55 -8.847 -3.800 5.306 1.00 0.00 O ATOM 863 CB GLN A 55 -6.913 -5.843 6.697 1.00 0.00 C ATOM 864 CG GLN A 55 -6.962 -7.056 7.613 1.00 0.00 C ATOM 865 CD GLN A 55 -8.056 -6.955 8.657 1.00 0.00 C ATOM 866 OE1 GLN A 55 -9.085 -7.624 8.560 1.00 0.00 O ATOM 867 NE2 GLN A 55 -7.840 -6.116 9.663 1.00 0.00 N ATOM 0 H GLN A 55 -6.231 -6.891 4.466 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.790 -6.352 5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.886 -5.690 6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.200 -4.958 7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.119 -7.953 7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.999 -7.170 8.111 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.972 -5.581 9.704 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.542 -6.006 10.395 1.00 0.00 H new ATOM 876 N VAL A 56 -7.279 -4.317 3.776 1.00 0.00 N ATOM 877 CA VAL A 56 -7.381 -3.040 3.079 1.00 0.00 C ATOM 878 C VAL A 56 -7.670 -3.245 1.596 1.00 0.00 C ATOM 879 O VAL A 56 -8.176 -2.348 0.923 1.00 0.00 O ATOM 880 CB VAL A 56 -6.090 -2.214 3.231 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.797 -1.945 4.699 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.922 -2.925 2.566 1.00 0.00 C ATOM 0 H VAL A 56 -6.596 -4.961 3.378 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.208 -2.495 3.535 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.232 -1.255 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.881 -1.360 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.625 -1.390 5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.674 -2.892 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.018 -2.327 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.776 -3.899 3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.134 -3.059 1.505 1.00 0.00 H new ATOM 892 N ALA A 57 -7.344 -4.431 1.094 1.00 0.00 N ATOM 893 CA ALA A 57 -7.571 -4.755 -0.309 1.00 0.00 C ATOM 894 C ALA A 57 -8.379 -6.040 -0.452 1.00 0.00 C ATOM 895 O ALA A 57 -8.713 -6.689 0.539 1.00 0.00 O ATOM 896 CB ALA A 57 -6.244 -4.880 -1.043 1.00 0.00 C ATOM 0 H ALA A 57 -6.922 -5.184 1.638 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.146 -3.944 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.429 -5.122 -2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.702 -3.936 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.649 -5.671 -0.587 1.00 0.00 H new ATOM 902 N ASN A 58 -8.692 -6.402 -1.692 1.00 0.00 N ATOM 903 CA ASN A 58 -9.463 -7.610 -1.964 1.00 0.00 C ATOM 904 C ASN A 58 -8.778 -8.465 -3.027 1.00 0.00 C ATOM 905 O ASN A 58 -8.432 -7.976 -4.103 1.00 0.00 O ATOM 906 CB ASN A 58 -10.877 -7.246 -2.420 1.00 0.00 C ATOM 907 CG ASN A 58 -11.669 -6.536 -1.338 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.849 -7.062 -0.240 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.145 -5.336 -1.645 1.00 0.00 N ATOM 0 H ASN A 58 -8.424 -5.876 -2.524 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.523 -8.188 -1.042 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.818 -6.608 -3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.405 -8.152 -2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.685 -4.810 -0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.971 -4.939 -2.568 1.00 0.00 H new ATOM 916 N LEU A 59 -8.587 -9.742 -2.718 1.00 0.00 N ATOM 917 CA LEU A 59 -7.944 -10.666 -3.646 1.00 0.00 C ATOM 918 C LEU A 59 -8.926 -11.135 -4.715 1.00 0.00 C ATOM 919 O LEU A 59 -10.089 -11.413 -4.424 1.00 0.00 O ATOM 920 CB LEU A 59 -7.382 -11.871 -2.890 1.00 0.00 C ATOM 921 CG LEU A 59 -6.188 -12.573 -3.538 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.717 -13.732 -2.674 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.550 -13.059 -4.935 1.00 0.00 C ATOM 0 H LEU A 59 -8.868 -10.162 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.126 -10.139 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.088 -11.544 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.182 -12.601 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.372 -11.856 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.867 -14.219 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.418 -13.358 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.528 -14.451 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.689 -13.556 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.382 -13.761 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.839 -12.209 -5.553 1.00 0.00 H new ATOM 935 N ASN A 60 -8.449 -11.222 -5.952 1.00 0.00 N ATOM 936 CA ASN A 60 -9.285 -11.660 -7.064 1.00 0.00 C ATOM 937 C ASN A 60 -8.735 -12.939 -7.688 1.00 0.00 C ATOM 938 O ASN A 60 -7.836 -12.895 -8.528 1.00 0.00 O ATOM 939 CB ASN A 60 -9.376 -10.560 -8.124 1.00 0.00 C ATOM 940 CG ASN A 60 -10.663 -10.632 -8.923 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.699 -11.059 -8.414 1.00 0.00 O ATOM 942 ND2 ASN A 60 -10.602 -10.213 -10.182 1.00 0.00 N ATOM 0 H ASN A 60 -7.489 -10.995 -6.210 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.283 -11.866 -6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.306 -9.586 -7.640 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.526 -10.641 -8.801 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.436 -10.237 -10.769 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.721 -9.867 -10.562 1.00 0.00 H new ATOM 949 N SER A 61 -9.281 -14.076 -7.271 1.00 0.00 N ATOM 950 CA SER A 61 -8.843 -15.368 -7.787 1.00 0.00 C ATOM 951 C SER A 61 -8.587 -15.296 -9.289 1.00 0.00 C ATOM 952 O SER A 61 -7.663 -15.925 -9.805 1.00 0.00 O ATOM 953 CB SER A 61 -9.891 -16.442 -7.488 1.00 0.00 C ATOM 954 OG SER A 61 -9.720 -16.973 -6.185 1.00 0.00 O ATOM 0 H SER A 61 -10.027 -14.129 -6.578 1.00 0.00 H new ATOM 0 HA SER A 61 -7.910 -15.632 -7.290 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.890 -16.016 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.815 -17.243 -8.223 1.00 0.00 H new ATOM 0 HG SER A 61 -10.403 -17.656 -6.018 1.00 0.00 H new ATOM 960 N LYS A 62 -9.412 -14.523 -9.987 1.00 0.00 N ATOM 961 CA LYS A 62 -9.277 -14.364 -11.430 1.00 0.00 C ATOM 962 C LYS A 62 -7.811 -14.228 -11.827 1.00 0.00 C ATOM 963 O LYS A 62 -7.258 -15.095 -12.503 1.00 0.00 O ATOM 964 CB LYS A 62 -10.061 -13.139 -11.905 1.00 0.00 C ATOM 965 CG LYS A 62 -10.439 -13.192 -13.375 1.00 0.00 C ATOM 966 CD LYS A 62 -11.756 -13.918 -13.587 1.00 0.00 C ATOM 967 CE LYS A 62 -11.568 -15.427 -13.583 1.00 0.00 C ATOM 968 NZ LYS A 62 -12.648 -16.124 -14.335 1.00 0.00 N ATOM 0 H LYS A 62 -10.182 -13.996 -9.576 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.684 -15.255 -11.908 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.968 -13.045 -11.308 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.466 -12.244 -11.723 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.514 -12.178 -13.769 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.651 -13.695 -13.936 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.458 -13.636 -12.803 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.195 -13.608 -14.535 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.602 -15.673 -14.023 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.551 -15.788 -12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.483 -17.150 -14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.568 -15.910 -13.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.648 -15.799 -15.323 1.00 0.00 H new ATOM 982 N ASP A 63 -7.186 -13.135 -11.402 1.00 0.00 N ATOM 983 CA ASP A 63 -5.783 -12.887 -11.711 1.00 0.00 C ATOM 984 C ASP A 63 -4.947 -12.831 -10.436 1.00 0.00 C ATOM 985 O ASP A 63 -3.870 -12.234 -10.413 1.00 0.00 O ATOM 986 CB ASP A 63 -5.634 -11.580 -12.491 1.00 0.00 C ATOM 987 CG ASP A 63 -4.308 -11.489 -13.220 1.00 0.00 C ATOM 988 OD1 ASP A 63 -3.696 -12.547 -13.473 1.00 0.00 O ATOM 989 OD2 ASP A 63 -3.882 -10.358 -13.538 1.00 0.00 O ATOM 0 H ASP A 63 -7.629 -12.407 -10.842 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.421 -13.711 -12.325 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.448 -11.495 -13.211 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.727 -10.738 -11.805 1.00 0.00 H new ATOM 994 N LEU A 64 -5.451 -13.454 -9.377 1.00 0.00 N ATOM 995 CA LEU A 64 -4.751 -13.475 -8.097 1.00 0.00 C ATOM 996 C LEU A 64 -4.148 -12.109 -7.784 1.00 0.00 C ATOM 997 O LEU A 64 -3.056 -12.015 -7.225 1.00 0.00 O ATOM 998 CB LEU A 64 -3.652 -14.539 -8.110 1.00 0.00 C ATOM 999 CG LEU A 64 -4.094 -15.964 -7.778 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.148 -16.976 -8.405 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.167 -16.162 -6.271 1.00 0.00 C ATOM 0 H LEU A 64 -6.342 -13.951 -9.379 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.475 -13.720 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.190 -14.544 -9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.880 -14.244 -7.399 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.089 -16.122 -8.194 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.479 -17.985 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.146 -16.850 -9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.140 -16.820 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.483 -17.182 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.185 -15.985 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.885 -15.461 -5.846 1.00 0.00 H new ATOM 1013 N SER A 65 -4.870 -11.052 -8.146 1.00 0.00 N ATOM 1014 CA SER A 65 -4.405 -9.691 -7.905 1.00 0.00 C ATOM 1015 C SER A 65 -5.193 -9.041 -6.772 1.00 0.00 C ATOM 1016 O SER A 65 -6.403 -9.232 -6.653 1.00 0.00 O ATOM 1017 CB SER A 65 -4.535 -8.853 -9.178 1.00 0.00 C ATOM 1018 OG SER A 65 -5.889 -8.743 -9.581 1.00 0.00 O ATOM 0 H SER A 65 -5.778 -11.112 -8.607 1.00 0.00 H new ATOM 0 HA SER A 65 -3.355 -9.737 -7.614 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.122 -7.859 -9.006 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.950 -9.308 -9.978 1.00 0.00 H new ATOM 0 HG SER A 65 -5.945 -8.201 -10.396 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.497 -8.272 -5.942 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.130 -7.594 -4.816 1.00 0.00 C ATOM 1026 C TYR A 66 -5.558 -6.182 -5.201 1.00 0.00 C ATOM 1027 O TYR A 66 -4.741 -5.367 -5.631 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.174 -7.542 -3.623 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.083 -8.846 -2.863 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.052 -9.200 -1.933 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.027 -9.724 -3.075 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -4.972 -10.390 -1.236 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.939 -10.916 -2.383 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.914 -11.245 -1.464 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.831 -12.431 -0.773 1.00 0.00 O ATOM 0 H TYR A 66 -3.495 -8.102 -6.027 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.019 -8.160 -4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.180 -7.267 -3.976 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.499 -6.756 -2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.882 -8.533 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.262 -9.470 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.734 -10.650 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.111 -11.587 -2.560 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.027 -12.917 -1.052 1.00 0.00 H new ATOM 1045 N THR A 67 -6.848 -5.898 -5.044 1.00 0.00 N ATOM 1046 CA THR A 67 -7.387 -4.585 -5.375 1.00 0.00 C ATOM 1047 C THR A 67 -7.688 -3.781 -4.115 1.00 0.00 C ATOM 1048 O THR A 67 -8.426 -4.233 -3.239 1.00 0.00 O ATOM 1049 CB THR A 67 -8.673 -4.702 -6.215 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.721 -5.280 -5.430 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.434 -5.551 -7.455 1.00 0.00 C ATOM 0 H THR A 67 -7.538 -6.560 -4.690 1.00 0.00 H new ATOM 0 HA THR A 67 -6.626 -4.068 -5.959 1.00 0.00 H new ATOM 0 HB THR A 67 -8.967 -3.701 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.494 -5.210 -4.479 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.356 -5.619 -8.032 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.657 -5.092 -8.066 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.118 -6.551 -7.156 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.114 -2.586 -4.031 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.321 -1.717 -2.877 1.00 0.00 C ATOM 1061 C LEU A 68 -8.805 -1.422 -2.679 1.00 0.00 C ATOM 1062 O LEU A 68 -9.492 -0.987 -3.603 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.548 -0.410 -3.053 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.063 0.262 -1.768 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -5.977 1.769 -1.952 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -6.984 -0.084 -0.606 1.00 0.00 C ATOM 0 H LEU A 68 -6.502 -2.196 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.950 -2.234 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.682 -0.606 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.183 0.295 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.065 -0.112 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.630 2.229 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.277 1.998 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.962 2.161 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.624 0.402 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.994 0.261 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.994 -1.164 -0.459 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.292 -1.658 -1.465 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.693 -1.413 -1.143 1.00 0.00 C ATOM 1080 C LYS A 69 -11.119 -0.019 -1.589 1.00 0.00 C ATOM 1081 O LYS A 69 -10.323 0.734 -2.151 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.926 -1.573 0.361 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.057 -3.019 0.807 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.839 -3.162 2.304 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.577 -4.610 2.693 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.842 -5.380 2.845 1.00 0.00 N ATOM 0 H LYS A 69 -8.737 -2.018 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.297 -2.146 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.099 -1.109 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.831 -1.033 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.047 -3.393 0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.332 -3.633 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.996 -2.543 2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.715 -2.794 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.953 -5.083 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.019 -4.640 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.621 -6.361 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.427 -4.944 3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.363 -5.374 1.945 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.378 0.320 -1.334 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.909 1.626 -1.708 1.00 0.00 C ATOM 1102 C ASP A 70 -12.878 2.585 -0.522 1.00 0.00 C ATOM 1103 O ASP A 70 -12.580 3.770 -0.676 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.340 1.488 -2.231 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.272 0.865 -1.210 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.961 -0.240 -0.720 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -16.313 1.483 -0.901 1.00 0.00 O ATOM 0 H ASP A 70 -13.050 -0.291 -0.870 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.279 2.034 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.718 2.471 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.336 0.879 -3.135 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.189 2.065 0.661 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.200 2.876 1.873 1.00 0.00 C ATOM 1114 C TYR A 71 -11.789 3.323 2.242 1.00 0.00 C ATOM 1115 O TYR A 71 -11.579 4.450 2.690 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.818 2.091 3.031 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.798 1.384 3.895 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.235 0.178 3.495 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.398 1.921 5.113 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.304 -0.471 4.281 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.466 1.279 5.905 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.922 0.083 5.485 1.00 0.00 C ATOM 1123 OH TYR A 71 -9.995 -0.560 6.272 1.00 0.00 O ATOM 0 H TYR A 71 -13.437 1.086 0.806 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.804 3.763 1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.398 2.773 3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.514 1.355 2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.531 -0.259 2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.823 2.856 5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.877 -1.408 3.955 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.165 1.711 6.848 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.836 -0.036 7.085 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.823 2.430 2.049 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.430 2.732 2.360 1.00 0.00 C ATOM 1135 C VAL A 72 -8.954 3.968 1.605 1.00 0.00 C ATOM 1136 O VAL A 72 -8.091 4.705 2.082 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.509 1.546 2.015 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.048 1.947 2.154 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -8.829 0.349 2.897 1.00 0.00 C ATOM 0 H VAL A 72 -10.979 1.492 1.679 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.378 2.923 3.432 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.685 1.261 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.412 1.097 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.831 2.772 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.853 2.260 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.169 -0.479 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.682 0.618 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.865 0.049 2.741 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.522 4.189 0.424 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.156 5.336 -0.398 1.00 0.00 C ATOM 1151 C PHE A 73 -9.211 6.627 0.414 1.00 0.00 C ATOM 1152 O PHE A 73 -8.479 7.579 0.140 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.086 5.442 -1.608 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.809 4.414 -2.668 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.510 4.146 -3.069 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.848 3.717 -3.263 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.252 3.201 -4.044 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.596 2.770 -4.238 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.297 2.513 -4.630 1.00 0.00 C ATOM 0 H PHE A 73 -10.238 3.588 0.015 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.134 5.189 -0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.118 5.338 -1.273 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.991 6.437 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.690 4.682 -2.614 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.866 3.916 -2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.235 3.001 -4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.414 2.232 -4.693 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.098 1.775 -5.393 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.084 6.652 1.415 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.237 7.824 2.269 1.00 0.00 C ATOM 1171 C LYS A 74 -9.106 7.904 3.290 1.00 0.00 C ATOM 1172 O LYS A 74 -8.687 8.993 3.680 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.587 7.784 2.989 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.557 7.006 4.294 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.956 6.799 4.851 1.00 0.00 C ATOM 1176 CE LYS A 74 -13.008 5.608 5.796 1.00 0.00 C ATOM 1177 NZ LYS A 74 -12.479 5.948 7.146 1.00 0.00 N ATOM 0 H LYS A 74 -10.697 5.873 1.655 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.196 8.711 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.912 8.805 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.330 7.339 2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.082 6.038 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.949 7.541 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.276 7.698 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.657 6.645 4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.037 5.261 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.429 4.785 5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.531 5.111 7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.489 6.255 7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.047 6.716 7.558 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.617 6.744 3.717 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.535 6.685 4.692 1.00 0.00 C ATOM 1193 C GLU A 75 -6.218 7.142 4.071 1.00 0.00 C ATOM 1194 O GLU A 75 -5.346 7.675 4.759 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.388 5.263 5.238 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.664 4.712 5.852 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.440 3.407 6.590 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.859 2.478 5.990 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.845 3.313 7.768 1.00 0.00 O ATOM 0 H GLU A 75 -8.953 5.833 3.403 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.783 7.358 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.069 4.604 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.599 5.251 5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.079 5.448 6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.404 4.558 5.066 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.080 6.928 2.767 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.869 7.316 2.052 1.00 0.00 C ATOM 1208 C LEU A 76 -4.458 8.740 2.412 1.00 0.00 C ATOM 1209 O LEU A 76 -5.193 9.456 3.091 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.086 7.202 0.542 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.236 5.783 -0.008 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.727 5.818 -1.447 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.916 5.031 0.088 1.00 0.00 C ATOM 0 H LEU A 76 -6.792 6.488 2.183 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.068 6.640 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.979 7.769 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.246 7.679 0.037 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.976 5.257 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.828 4.799 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.695 6.318 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.011 6.362 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.042 4.023 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.155 5.556 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.604 4.975 1.131 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.279 9.145 1.950 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.771 10.484 2.222 1.00 0.00 C ATOM 1227 C GLN A 77 -2.113 11.080 0.981 1.00 0.00 C ATOM 1228 O GLN A 77 -1.086 10.587 0.515 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.769 10.448 3.377 1.00 0.00 C ATOM 1230 CG GLN A 77 -2.277 9.701 4.600 1.00 0.00 C ATOM 1231 CD GLN A 77 -1.651 10.198 5.888 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -1.680 11.392 6.187 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -1.080 9.281 6.661 1.00 0.00 N ATOM 0 H GLN A 77 -2.658 8.565 1.386 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.615 11.115 2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.847 9.980 3.033 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.520 11.470 3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.360 9.807 4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.067 8.638 4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.079 8.302 6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.643 9.556 7.541 1.00 0.00 H new ATOM 1242 N ARG A 78 -2.713 12.141 0.452 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.186 12.802 -0.736 1.00 0.00 C ATOM 1244 C ARG A 78 -0.762 13.296 -0.497 1.00 0.00 C ATOM 1245 O ARG A 78 0.022 13.438 -1.435 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.084 13.976 -1.133 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.500 13.563 -1.497 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.320 14.749 -1.979 1.00 0.00 C ATOM 1249 NE ARG A 78 -5.679 15.647 -0.885 1.00 0.00 N ATOM 1250 CZ ARG A 78 -6.647 15.391 -0.012 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -7.349 14.270 -0.105 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -6.915 16.258 0.956 1.00 0.00 N ATOM 0 H ARG A 78 -3.564 12.561 0.827 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.169 12.075 -1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.123 14.688 -0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.636 14.494 -1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.469 12.800 -2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.983 13.114 -0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.753 15.300 -2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.227 14.389 -2.465 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.158 16.518 -0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.146 13.602 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.092 14.076 0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.378 17.122 1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.658 16.061 1.626 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.435 13.555 0.764 1.00 0.00 N ATOM 1267 CA ASP A 79 0.894 14.032 1.127 1.00 0.00 C ATOM 1268 C ASP A 79 1.909 12.893 1.090 1.00 0.00 C ATOM 1269 O ASP A 79 3.092 13.095 1.363 1.00 0.00 O ATOM 1270 CB ASP A 79 0.870 14.664 2.519 1.00 0.00 C ATOM 1271 CG ASP A 79 0.386 16.101 2.495 1.00 0.00 C ATOM 1272 OD1 ASP A 79 0.948 16.903 1.719 1.00 0.00 O ATOM 1273 OD2 ASP A 79 -0.555 16.422 3.250 1.00 0.00 O ATOM 0 H ASP A 79 -1.072 13.443 1.552 1.00 0.00 H new ATOM 0 HA ASP A 79 1.193 14.786 0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.223 14.077 3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.871 14.628 2.948 1.00 0.00 H new ATOM 1278 N TRP A 80 1.438 11.699 0.751 1.00 0.00 N ATOM 1279 CA TRP A 80 2.304 10.528 0.679 1.00 0.00 C ATOM 1280 C TRP A 80 3.495 10.787 -0.239 1.00 0.00 C ATOM 1281 O TRP A 80 3.342 11.104 -1.418 1.00 0.00 O ATOM 1282 CB TRP A 80 1.516 9.315 0.182 1.00 0.00 C ATOM 1283 CG TRP A 80 2.284 8.031 0.271 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.854 7.343 -0.762 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.563 7.280 1.458 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.471 6.210 -0.288 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.308 6.149 1.070 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.258 7.454 2.811 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.749 5.199 1.987 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.697 6.510 3.719 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.437 5.394 3.305 1.00 0.00 C ATOM 0 H TRP A 80 0.461 11.516 0.522 1.00 0.00 H new ATOM 0 HA TRP A 80 2.679 10.323 1.681 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.599 9.223 0.764 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.220 9.482 -0.854 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.824 7.645 -1.799 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.970 5.525 -0.856 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.689 8.311 3.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.318 4.338 1.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.466 6.634 4.767 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.767 4.675 4.040 1.00 0.00 H new ATOM 1302 N PRO A 81 4.709 10.649 0.313 1.00 0.00 N ATOM 1303 CA PRO A 81 5.949 10.863 -0.439 1.00 0.00 C ATOM 1304 C PRO A 81 6.191 9.775 -1.480 1.00 0.00 C ATOM 1305 O PRO A 81 6.878 9.997 -2.476 1.00 0.00 O ATOM 1306 CB PRO A 81 7.032 10.818 0.642 1.00 0.00 C ATOM 1307 CG PRO A 81 6.443 9.993 1.734 1.00 0.00 C ATOM 1308 CD PRO A 81 4.966 10.273 1.713 1.00 0.00 C ATOM 0 HA PRO A 81 5.928 11.796 -1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.952 10.374 0.262 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.283 11.819 0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.642 8.933 1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.876 10.256 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.387 9.397 2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.700 11.076 2.400 1.00 0.00 H new ATOM 1316 N GLY A 82 5.620 8.598 -1.243 1.00 0.00 N ATOM 1317 CA GLY A 82 5.786 7.493 -2.169 1.00 0.00 C ATOM 1318 C GLY A 82 5.287 7.825 -3.562 1.00 0.00 C ATOM 1319 O GLY A 82 5.638 7.153 -4.531 1.00 0.00 O ATOM 0 H GLY A 82 5.045 8.390 -0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.840 7.220 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.249 6.623 -1.792 1.00 0.00 H new ATOM 1323 N TYR A 83 4.465 8.864 -3.662 1.00 0.00 N ATOM 1324 CA TYR A 83 3.913 9.281 -4.946 1.00 0.00 C ATOM 1325 C TYR A 83 4.809 10.321 -5.611 1.00 0.00 C ATOM 1326 O TYR A 83 5.001 11.418 -5.087 1.00 0.00 O ATOM 1327 CB TYR A 83 2.505 9.848 -4.759 1.00 0.00 C ATOM 1328 CG TYR A 83 1.519 8.849 -4.198 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.456 7.552 -4.694 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.649 9.201 -3.173 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.556 6.636 -4.185 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.253 8.291 -2.657 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.296 7.010 -3.166 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.194 6.101 -2.656 1.00 0.00 O ATOM 0 H TYR A 83 4.166 9.433 -2.870 1.00 0.00 H new ATOM 0 HA TYR A 83 3.861 8.405 -5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.555 10.710 -4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.137 10.209 -5.720 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.122 7.255 -5.491 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.679 10.204 -2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.519 5.632 -4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.921 8.581 -1.859 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.097 5.246 -3.125 1.00 0.00 H new ATOM 1344 N SER A 84 5.355 9.968 -6.770 1.00 0.00 N ATOM 1345 CA SER A 84 6.233 10.869 -7.508 1.00 0.00 C ATOM 1346 C SER A 84 5.441 12.020 -8.120 1.00 0.00 C ATOM 1347 O SER A 84 4.235 12.140 -7.905 1.00 0.00 O ATOM 1348 CB SER A 84 6.976 10.105 -8.606 1.00 0.00 C ATOM 1349 OG SER A 84 7.958 9.245 -8.053 1.00 0.00 O ATOM 0 H SER A 84 5.205 9.064 -7.219 1.00 0.00 H new ATOM 0 HA SER A 84 6.959 11.283 -6.808 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.266 9.522 -9.192 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.449 10.811 -9.289 1.00 0.00 H new ATOM 0 HG SER A 84 8.418 8.767 -8.774 1.00 0.00 H new ATOM 1355 N GLU A 85 6.128 12.863 -8.884 1.00 0.00 N ATOM 1356 CA GLU A 85 5.489 14.005 -9.527 1.00 0.00 C ATOM 1357 C GLU A 85 4.307 13.556 -10.382 1.00 0.00 C ATOM 1358 O GLU A 85 3.380 14.328 -10.631 1.00 0.00 O ATOM 1359 CB GLU A 85 6.499 14.762 -10.392 1.00 0.00 C ATOM 1360 CG GLU A 85 5.870 15.480 -11.574 1.00 0.00 C ATOM 1361 CD GLU A 85 6.896 16.181 -12.444 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.614 17.060 -11.923 1.00 0.00 O ATOM 1363 OE2 GLU A 85 6.980 15.850 -13.645 1.00 0.00 O ATOM 0 H GLU A 85 7.127 12.777 -9.073 1.00 0.00 H new ATOM 0 HA GLU A 85 5.119 14.670 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.022 15.490 -9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.247 14.060 -10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.317 14.761 -12.179 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.149 16.211 -11.208 1.00 0.00 H new ATOM 1370 N ILE A 86 4.347 12.305 -10.827 1.00 0.00 N ATOM 1371 CA ILE A 86 3.280 11.754 -11.653 1.00 0.00 C ATOM 1372 C ILE A 86 2.278 10.975 -10.808 1.00 0.00 C ATOM 1373 O ILE A 86 1.067 11.097 -10.992 1.00 0.00 O ATOM 1374 CB ILE A 86 3.838 10.829 -12.750 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.993 11.512 -13.485 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.737 10.442 -13.727 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.264 11.594 -12.669 1.00 0.00 C ATOM 0 H ILE A 86 5.107 11.654 -10.629 1.00 0.00 H new ATOM 0 HA ILE A 86 2.776 12.599 -12.123 1.00 0.00 H new ATOM 0 HB ILE A 86 4.217 9.921 -12.281 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.198 10.969 -14.408 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.687 12.519 -13.769 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.147 9.788 -14.497 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.943 9.920 -13.193 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.331 11.340 -14.192 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.040 12.090 -13.253 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.076 12.163 -11.758 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.594 10.589 -12.407 1.00 0.00 H new ATOM 1389 N ASP A 87 2.791 10.175 -9.880 1.00 0.00 N ATOM 1390 CA ASP A 87 1.941 9.377 -9.003 1.00 0.00 C ATOM 1391 C ASP A 87 0.884 10.248 -8.331 1.00 0.00 C ATOM 1392 O ASP A 87 -0.313 9.988 -8.446 1.00 0.00 O ATOM 1393 CB ASP A 87 2.787 8.670 -7.943 1.00 0.00 C ATOM 1394 CG ASP A 87 3.894 7.831 -8.551 1.00 0.00 C ATOM 1395 OD1 ASP A 87 4.120 7.944 -9.774 1.00 0.00 O ATOM 1396 OD2 ASP A 87 4.535 7.062 -7.804 1.00 0.00 O ATOM 0 H ASP A 87 3.791 10.062 -9.715 1.00 0.00 H new ATOM 0 HA ASP A 87 1.435 8.628 -9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.223 9.413 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.145 8.033 -7.335 1.00 0.00 H new ATOM 1401 N ARG A 88 1.337 11.281 -7.627 1.00 0.00 N ATOM 1402 CA ARG A 88 0.430 12.189 -6.934 1.00 0.00 C ATOM 1403 C ARG A 88 -0.755 12.556 -7.822 1.00 0.00 C ATOM 1404 O ARG A 88 -1.909 12.467 -7.403 1.00 0.00 O ATOM 1405 CB ARG A 88 1.173 13.456 -6.506 1.00 0.00 C ATOM 1406 CG ARG A 88 2.263 13.205 -5.477 1.00 0.00 C ATOM 1407 CD ARG A 88 3.010 14.484 -5.133 1.00 0.00 C ATOM 1408 NE ARG A 88 2.353 15.230 -4.063 1.00 0.00 N ATOM 1409 CZ ARG A 88 2.746 16.432 -3.658 1.00 0.00 C ATOM 1410 NH1 ARG A 88 3.787 17.021 -4.230 1.00 0.00 N ATOM 1411 NH2 ARG A 88 2.097 17.048 -2.678 1.00 0.00 N ATOM 0 H ARG A 88 2.325 11.510 -7.522 1.00 0.00 H new ATOM 0 HA ARG A 88 0.053 11.680 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.616 13.922 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.455 14.167 -6.097 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.822 12.786 -4.573 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.965 12.465 -5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.029 14.239 -4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.082 15.112 -6.021 1.00 0.00 H new ATOM 0 HE ARG A 88 1.549 14.805 -3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.289 16.551 -4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.086 17.944 -3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.296 16.598 -2.235 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.399 17.971 -2.367 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.462 12.971 -9.051 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.502 13.354 -9.997 1.00 0.00 C ATOM 1427 C ARG A 89 -2.245 12.125 -10.515 1.00 0.00 C ATOM 1428 O ARG A 89 -3.386 12.222 -10.966 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.896 14.129 -11.168 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.143 13.251 -12.154 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.124 13.864 -13.545 1.00 0.00 C ATOM 1432 NE ARG A 89 0.140 15.300 -13.507 1.00 0.00 N ATOM 1433 CZ ARG A 89 0.288 16.049 -14.594 1.00 0.00 C ATOM 1434 NH1 ARG A 89 0.199 15.501 -15.798 1.00 0.00 N ATOM 1435 NH2 ARG A 89 0.526 17.349 -14.478 1.00 0.00 N ATOM 0 H ARG A 89 0.488 13.050 -9.414 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.214 13.995 -9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.692 14.654 -11.696 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.218 14.888 -10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.879 13.105 -11.806 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.609 12.267 -12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.639 13.371 -14.148 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.082 13.684 -14.033 1.00 0.00 H new ATOM 0 HE ARG A 89 0.215 15.752 -12.596 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.016 14.502 -15.891 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.313 16.079 -16.631 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.596 17.774 -13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.640 17.923 -15.313 1.00 0.00 H new ATOM 1449 N SER A 90 -1.589 10.971 -10.447 1.00 0.00 N ATOM 1450 CA SER A 90 -2.184 9.725 -10.913 1.00 0.00 C ATOM 1451 C SER A 90 -3.129 9.148 -9.863 1.00 0.00 C ATOM 1452 O SER A 90 -3.983 8.315 -10.170 1.00 0.00 O ATOM 1453 CB SER A 90 -1.092 8.707 -11.247 1.00 0.00 C ATOM 1454 OG SER A 90 -1.546 7.768 -12.207 1.00 0.00 O ATOM 0 H SER A 90 -0.645 10.874 -10.073 1.00 0.00 H new ATOM 0 HA SER A 90 -2.758 9.940 -11.814 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.212 9.225 -11.628 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.787 8.186 -10.340 1.00 0.00 H new ATOM 0 HG SER A 90 -0.829 7.129 -12.404 1.00 0.00 H new ATOM 1460 N LEU A 91 -2.970 9.597 -8.623 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.808 9.127 -7.526 1.00 0.00 C ATOM 1462 C LEU A 91 -5.024 10.030 -7.344 1.00 0.00 C ATOM 1463 O LEU A 91 -6.156 9.554 -7.261 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.000 9.073 -6.228 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.787 9.308 -4.937 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.144 8.563 -3.778 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.878 10.796 -4.632 1.00 0.00 C ATOM 0 H LEU A 91 -2.268 10.286 -8.352 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.157 8.124 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.518 8.097 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.206 9.817 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.797 8.923 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.717 8.742 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.131 7.495 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.123 8.918 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.441 10.945 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.875 11.205 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.384 11.305 -5.452 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.782 11.336 -7.284 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.858 12.305 -7.113 1.00 0.00 C ATOM 1481 C GLU A 92 -7.070 11.927 -7.960 1.00 0.00 C ATOM 1482 O GLU A 92 -8.208 12.236 -7.607 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.376 13.707 -7.491 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.063 13.866 -8.969 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.905 15.317 -9.380 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -5.761 16.140 -8.993 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -3.925 15.629 -10.088 1.00 0.00 O ATOM 0 H GLU A 92 -3.851 11.747 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.153 12.300 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.140 14.432 -7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.483 13.943 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.146 13.324 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.861 13.411 -9.556 1.00 0.00 H new ATOM 1494 N SER A 93 -6.817 11.256 -9.079 1.00 0.00 N ATOM 1495 CA SER A 93 -7.885 10.839 -9.979 1.00 0.00 C ATOM 1496 C SER A 93 -8.785 9.803 -9.311 1.00 0.00 C ATOM 1497 O SER A 93 -9.952 10.071 -9.023 1.00 0.00 O ATOM 1498 CB SER A 93 -7.299 10.265 -11.270 1.00 0.00 C ATOM 1499 OG SER A 93 -8.305 10.086 -12.252 1.00 0.00 O ATOM 0 H SER A 93 -5.881 10.989 -9.384 1.00 0.00 H new ATOM 0 HA SER A 93 -8.486 11.716 -10.220 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.528 10.934 -11.652 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.817 9.310 -11.061 1.00 0.00 H new ATOM 0 HG SER A 93 -7.904 9.720 -13.068 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.233 8.619 -9.067 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.983 7.542 -8.432 1.00 0.00 C ATOM 1507 C VAL A 94 -9.886 8.079 -7.328 1.00 0.00 C ATOM 1508 O VAL A 94 -11.112 7.994 -7.416 1.00 0.00 O ATOM 1509 CB VAL A 94 -8.042 6.477 -7.839 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.837 5.425 -7.080 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -7.206 5.835 -8.936 1.00 0.00 C ATOM 0 H VAL A 94 -7.269 8.381 -9.300 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.596 7.082 -9.207 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.366 6.965 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.155 4.681 -6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.388 5.901 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.538 4.939 -7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.547 5.085 -8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.864 5.360 -9.664 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.608 6.599 -9.432 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.274 8.632 -6.287 1.00 0.00 N ATOM 1522 CA LEU A 95 -10.022 9.184 -5.163 1.00 0.00 C ATOM 1523 C LEU A 95 -11.257 9.937 -5.649 1.00 0.00 C ATOM 1524 O LEU A 95 -12.327 9.847 -5.047 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.132 10.118 -4.341 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.823 9.518 -3.829 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.957 10.593 -3.189 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.102 8.396 -2.839 1.00 0.00 C ATOM 0 H LEU A 95 -8.261 8.710 -6.198 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.348 8.356 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.895 10.990 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.705 10.473 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.280 9.101 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.029 10.147 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.728 11.363 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.492 11.040 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.159 7.980 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.666 8.789 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.682 7.614 -3.329 1.00 0.00 H new ATOM 1540 N SER A 96 -11.101 10.677 -6.742 1.00 0.00 N ATOM 1541 CA SER A 96 -12.203 11.447 -7.308 1.00 0.00 C ATOM 1542 C SER A 96 -13.262 10.523 -7.901 1.00 0.00 C ATOM 1543 O SER A 96 -14.461 10.761 -7.755 1.00 0.00 O ATOM 1544 CB SER A 96 -11.685 12.404 -8.382 1.00 0.00 C ATOM 1545 OG SER A 96 -12.624 13.431 -8.646 1.00 0.00 O ATOM 0 H SER A 96 -10.222 10.760 -7.253 1.00 0.00 H new ATOM 0 HA SER A 96 -12.660 12.026 -6.506 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.742 12.844 -8.057 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.480 11.850 -9.298 1.00 0.00 H new ATOM 0 HG SER A 96 -12.268 14.030 -9.335 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.810 9.468 -8.571 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.717 8.509 -9.189 1.00 0.00 C ATOM 1553 C ARG A 97 -14.524 7.764 -8.129 1.00 0.00 C ATOM 1554 O ARG A 97 -15.697 7.448 -8.334 1.00 0.00 O ATOM 1555 CB ARG A 97 -12.934 7.510 -10.043 1.00 0.00 C ATOM 1556 CG ARG A 97 -11.935 8.165 -10.983 1.00 0.00 C ATOM 1557 CD ARG A 97 -12.572 8.513 -12.319 1.00 0.00 C ATOM 1558 NE ARG A 97 -13.009 7.323 -13.044 1.00 0.00 N ATOM 1559 CZ ARG A 97 -13.306 7.319 -14.338 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -13.213 8.436 -15.047 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -13.697 6.196 -14.927 1.00 0.00 N ATOM 0 H ARG A 97 -11.821 9.256 -8.700 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.407 9.060 -9.828 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.404 6.820 -9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.636 6.917 -10.629 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.538 9.069 -10.521 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.092 7.494 -11.145 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.426 9.170 -12.153 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.857 9.066 -12.928 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.091 6.447 -12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.913 9.301 -14.598 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.442 8.430 -16.041 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.770 5.335 -14.386 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.925 6.194 -15.921 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.889 7.486 -6.996 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.546 6.780 -5.903 1.00 0.00 C ATOM 1577 C LYS A 98 -15.310 7.751 -5.008 1.00 0.00 C ATOM 1578 O LYS A 98 -16.539 7.716 -4.943 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.517 6.009 -5.074 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.756 4.962 -5.870 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.544 3.668 -5.985 1.00 0.00 C ATOM 1582 CE LYS A 98 -13.123 2.865 -7.206 1.00 0.00 C ATOM 1583 NZ LYS A 98 -13.514 3.540 -8.475 1.00 0.00 N ATOM 0 H LYS A 98 -12.919 7.739 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 98 -15.257 6.076 -6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.806 6.715 -4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.025 5.522 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.540 5.347 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.798 4.764 -5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.396 3.070 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.609 3.893 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.043 2.719 -7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.579 1.876 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.560 2.838 -9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.446 3.987 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.809 4.267 -8.713 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.574 8.619 -4.322 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.182 9.602 -3.432 1.00 0.00 C ATOM 1599 C LEU A 99 -16.017 10.607 -4.219 1.00 0.00 C ATOM 1600 O LEU A 99 -15.503 11.619 -4.693 1.00 0.00 O ATOM 1601 CB LEU A 99 -14.101 10.334 -2.634 1.00 0.00 C ATOM 1602 CG LEU A 99 -13.011 9.455 -2.018 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.906 10.315 -1.424 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.602 8.536 -0.959 1.00 0.00 C ATOM 0 H LEU A 99 -13.556 8.662 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.839 9.073 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.625 11.063 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.585 10.893 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.580 8.837 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.139 9.673 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.464 10.931 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.322 10.958 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.812 7.918 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.060 9.135 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.358 7.896 -1.414 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.308 10.320 -4.353 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.214 11.200 -5.082 1.00 0.00 C ATOM 1618 C ASN A 100 -17.932 12.663 -4.755 1.00 0.00 C ATOM 1619 O ASN A 100 -17.534 12.994 -3.639 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.668 10.862 -4.744 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.650 11.815 -5.397 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -20.304 12.949 -5.730 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -21.883 11.358 -5.583 1.00 0.00 N ATOM 0 H ASN A 100 -17.750 9.486 -3.967 1.00 0.00 H new ATOM 0 HA ASN A 100 -18.050 11.046 -6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.886 9.844 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.803 10.890 -3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -22.588 11.954 -6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -22.125 10.411 -5.291 1.00 0.00 H new TER 1630 ASN A 100