USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 750 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 23 HIS : no HD1:sc= -6.93! C(o=-14!,f=-24!) USER MOD Set 1.2: A 24 HIS : no HE2:sc= -7.05! C(o=-14!,f=-16!) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -93:sc= -1.34! USER MOD Single : A 14 CYS SG : rot 161:sc= -2.77! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 127:sc= -1.73! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -4.73! K(o=-4.7!,f=-2.5) USER MOD Single : A 32 LYS NZ :NH3+ -110:sc= -5.2! (180deg=-7.88!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.45! K(o=-3.5!,f=-1) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -1.05 (180deg=-2.87!) USER MOD Single : A 44 HIS : no HD1:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 48 ASN : amide:sc= -5.26! C(o=-5.3!,f=-5.7!) USER MOD Single : A 53 SER OG : rot 180:sc=-0.00927 USER MOD Single : A 55 MET CE :methyl -151:sc= -18.7! (180deg=-19.9!) USER MOD Single : A 57 SER OG : rot 67:sc= 0.377 USER MOD Single : A 58 SER OG : rot -160:sc= -1.26! USER MOD Single : A 67 TYR OH : rot -29:sc= -2.76! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.19 K(o=-1.2,f=-7.4!) USER MOD Single : A 77 MET CE :methyl -141:sc= -0.719 (180deg=-1.09) USER MOD Single : A 80 CYS SG : rot 180:sc= -2.19 USER MOD Single : A 83 SER OG : rot 170:sc= 0.994 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc=-0.00778 X(o=-0.0078,f=-0.27) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -3.61! C(o=-3.6!,f=-12!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.538 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.695 -14.380 -0.315 1.00 0.00 N ATOM 12 CA LEU A 2 -7.669 -13.379 -0.069 1.00 0.00 C ATOM 13 C LEU A 2 -6.289 -14.031 -0.181 1.00 0.00 C ATOM 14 O LEU A 2 -6.078 -15.134 0.319 1.00 0.00 O ATOM 15 CB LEU A 2 -7.913 -12.680 1.270 1.00 0.00 C ATOM 16 CG LEU A 2 -6.729 -11.897 1.843 1.00 0.00 C ATOM 17 CD1 LEU A 2 -7.205 -10.819 2.819 1.00 0.00 C ATOM 18 CD2 LEU A 2 -5.708 -12.839 2.483 1.00 0.00 C ATOM 0 HA LEU A 2 -7.713 -12.594 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.753 -11.995 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.214 -13.431 2.000 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.226 -11.387 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.344 -10.278 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.865 -10.124 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.746 -11.286 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.877 -12.258 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.183 -13.396 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.336 -13.536 1.732 1.00 0.00 H new ATOM 29 N GLY A 3 -5.386 -13.319 -0.840 1.00 0.00 N ATOM 30 CA GLY A 3 -4.033 -13.815 -1.023 1.00 0.00 C ATOM 31 C GLY A 3 -3.023 -12.942 -0.275 1.00 0.00 C ATOM 32 O GLY A 3 -3.375 -12.271 0.694 1.00 0.00 O ATOM 0 H GLY A 3 -5.565 -12.404 -1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.967 -14.842 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.788 -13.832 -2.085 1.00 0.00 H new ATOM 36 N ILE A 4 -1.788 -12.978 -0.754 1.00 0.00 N ATOM 37 CA ILE A 4 -0.725 -12.199 -0.143 1.00 0.00 C ATOM 38 C ILE A 4 0.608 -12.557 -0.802 1.00 0.00 C ATOM 39 O ILE A 4 0.874 -13.726 -1.079 1.00 0.00 O ATOM 40 CB ILE A 4 -0.730 -12.385 1.376 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.528 -11.049 2.094 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.307 -13.427 1.804 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.437 -10.151 1.318 1.00 0.00 C ATOM 0 H ILE A 4 -1.500 -13.535 -1.559 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.888 -11.134 -0.311 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.709 -12.763 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.488 -10.545 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.139 -11.226 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.283 -13.540 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.077 -14.383 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.300 -13.100 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.563 -9.208 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.403 -10.648 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.033 -9.956 0.324 1.00 0.00 H new ATOM 54 N ASP A 5 1.411 -11.529 -1.036 1.00 0.00 N ATOM 55 CA ASP A 5 2.710 -11.720 -1.657 1.00 0.00 C ATOM 56 C ASP A 5 3.673 -10.641 -1.160 1.00 0.00 C ATOM 57 O ASP A 5 3.275 -9.494 -0.959 1.00 0.00 O ATOM 58 CB ASP A 5 2.614 -11.604 -3.181 1.00 0.00 C ATOM 59 CG ASP A 5 3.225 -12.770 -3.958 1.00 0.00 C ATOM 60 OD1 ASP A 5 4.337 -13.229 -3.654 1.00 0.00 O ATOM 61 OD2 ASP A 5 2.502 -13.217 -4.928 1.00 0.00 O ATOM 0 H ASP A 5 1.186 -10.561 -0.806 1.00 0.00 H new ATOM 0 HA ASP A 5 3.067 -12.715 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.564 -11.513 -3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.106 -10.682 -3.492 1.00 0.00 H new ATOM 66 N MET A 6 4.921 -11.046 -0.975 1.00 0.00 N ATOM 67 CA MET A 6 5.944 -10.127 -0.505 1.00 0.00 C ATOM 68 C MET A 6 7.225 -10.266 -1.329 1.00 0.00 C ATOM 69 O MET A 6 7.656 -11.377 -1.632 1.00 0.00 O ATOM 70 CB MET A 6 6.249 -10.413 0.967 1.00 0.00 C ATOM 71 CG MET A 6 5.187 -9.794 1.877 1.00 0.00 C ATOM 72 SD MET A 6 5.444 -10.326 3.562 1.00 0.00 S ATOM 73 CE MET A 6 3.932 -11.236 3.833 1.00 0.00 C ATOM 0 H MET A 6 5.247 -11.998 -1.142 1.00 0.00 H new ATOM 0 HA MET A 6 5.572 -9.109 -0.617 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.291 -11.490 1.131 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.230 -10.013 1.223 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.235 -8.707 1.819 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.192 -10.088 1.542 1.00 0.00 H new ATOM 0 HE1 MET A 6 3.927 -11.640 4.845 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.079 -10.570 3.704 1.00 0.00 H new ATOM 0 HE3 MET A 6 3.866 -12.054 3.115 1.00 0.00 H new ATOM 81 N ASN A 7 7.799 -9.120 -1.668 1.00 0.00 N ATOM 82 CA ASN A 7 9.024 -9.099 -2.450 1.00 0.00 C ATOM 83 C ASN A 7 9.926 -7.971 -1.948 1.00 0.00 C ATOM 84 O ASN A 7 9.474 -7.087 -1.221 1.00 0.00 O ATOM 85 CB ASN A 7 8.727 -8.845 -3.930 1.00 0.00 C ATOM 86 CG ASN A 7 9.181 -10.025 -4.792 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.437 -10.954 -5.060 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.441 -9.937 -5.208 1.00 0.00 N ATOM 0 H ASN A 7 7.438 -8.200 -1.415 1.00 0.00 H new ATOM 0 HA ASN A 7 9.511 -10.068 -2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.658 -8.680 -4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.234 -7.936 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.839 -10.675 -5.788 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.009 -9.131 -4.947 1.00 0.00 H new ATOM 94 N VAL A 8 11.184 -8.036 -2.357 1.00 0.00 N ATOM 95 CA VAL A 8 12.154 -7.031 -1.957 1.00 0.00 C ATOM 96 C VAL A 8 12.937 -6.567 -3.187 1.00 0.00 C ATOM 97 O VAL A 8 13.141 -7.337 -4.124 1.00 0.00 O ATOM 98 CB VAL A 8 13.054 -7.583 -0.849 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.520 -7.584 -1.283 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.868 -6.796 0.450 1.00 0.00 C ATOM 0 H VAL A 8 11.554 -8.769 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 8 11.650 -6.158 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 8 12.760 -8.616 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.138 -7.981 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.636 -8.207 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.833 -6.565 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.519 -7.208 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.123 -5.750 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.830 -6.869 0.774 1.00 0.00 H new ATOM 110 N LYS A 9 13.355 -5.310 -3.144 1.00 0.00 N ATOM 111 CA LYS A 9 14.111 -4.734 -4.243 1.00 0.00 C ATOM 112 C LYS A 9 14.912 -3.535 -3.732 1.00 0.00 C ATOM 113 O LYS A 9 14.344 -2.483 -3.445 1.00 0.00 O ATOM 114 CB LYS A 9 13.185 -4.402 -5.414 1.00 0.00 C ATOM 115 CG LYS A 9 13.036 -5.601 -6.353 1.00 0.00 C ATOM 116 CD LYS A 9 11.606 -6.147 -6.321 1.00 0.00 C ATOM 117 CE LYS A 9 11.172 -6.627 -7.708 1.00 0.00 C ATOM 118 NZ LYS A 9 10.373 -5.584 -8.390 1.00 0.00 N ATOM 0 H LYS A 9 13.184 -4.674 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 9 14.830 -5.456 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.206 -4.108 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.582 -3.550 -5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.294 -5.305 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.735 -6.385 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.543 -6.971 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.925 -5.372 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.050 -6.870 -8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.585 -7.541 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.086 -5.925 -9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.526 -5.371 -7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.945 -4.722 -8.495 1.00 0.00 H new ATOM 127 N GLU A 10 16.218 -3.734 -3.634 1.00 0.00 N ATOM 128 CA GLU A 10 17.102 -2.682 -3.164 1.00 0.00 C ATOM 129 C GLU A 10 16.791 -2.339 -1.706 1.00 0.00 C ATOM 130 O GLU A 10 17.670 -1.905 -0.964 1.00 0.00 O ATOM 131 CB GLU A 10 17.001 -1.441 -4.052 1.00 0.00 C ATOM 132 CG GLU A 10 17.587 -0.214 -3.351 1.00 0.00 C ATOM 133 CD GLU A 10 18.369 0.659 -4.335 1.00 0.00 C ATOM 134 OE1 GLU A 10 18.175 0.544 -5.555 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.203 1.479 -3.792 1.00 0.00 O ATOM 0 H GLU A 10 16.685 -4.609 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 10 18.128 -3.046 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.530 -1.616 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.957 -1.255 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.784 0.370 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.243 -0.532 -2.541 1.00 0.00 H new ATOM 141 N SER A 11 15.534 -2.548 -1.338 1.00 0.00 N ATOM 142 CA SER A 11 15.095 -2.267 0.018 1.00 0.00 C ATOM 143 C SER A 11 13.577 -2.078 0.049 1.00 0.00 C ATOM 144 O SER A 11 12.994 -1.874 1.112 1.00 0.00 O ATOM 145 CB SER A 11 15.796 -1.026 0.578 1.00 0.00 C ATOM 146 OG SER A 11 16.396 -0.243 -0.449 1.00 0.00 O ATOM 0 H SER A 11 14.807 -2.908 -1.956 1.00 0.00 H new ATOM 0 HA SER A 11 15.361 -3.117 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.075 -0.417 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.559 -1.333 1.293 1.00 0.00 H new ATOM 0 HG SER A 11 17.330 -0.517 -0.566 1.00 0.00 H new ATOM 151 N VAL A 12 12.980 -2.154 -1.132 1.00 0.00 N ATOM 152 CA VAL A 12 11.542 -1.994 -1.255 1.00 0.00 C ATOM 153 C VAL A 12 10.866 -3.356 -1.088 1.00 0.00 C ATOM 154 O VAL A 12 11.177 -4.301 -1.812 1.00 0.00 O ATOM 155 CB VAL A 12 11.201 -1.317 -2.583 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.513 -2.238 -3.765 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.740 -0.866 -2.610 1.00 0.00 C ATOM 0 H VAL A 12 13.467 -2.324 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 12 11.162 -1.343 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 12 11.827 -0.429 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.261 -1.732 -4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.574 -2.487 -3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.926 -3.152 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.524 -0.388 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.090 -1.731 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.563 -0.157 -1.801 1.00 0.00 H new ATOM 167 N LEU A 13 9.953 -3.415 -0.130 1.00 0.00 N ATOM 168 CA LEU A 13 9.230 -4.647 0.142 1.00 0.00 C ATOM 169 C LEU A 13 7.880 -4.609 -0.579 1.00 0.00 C ATOM 170 O LEU A 13 6.947 -3.950 -0.122 1.00 0.00 O ATOM 171 CB LEU A 13 9.117 -4.881 1.648 1.00 0.00 C ATOM 172 CG LEU A 13 9.704 -3.787 2.544 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.631 -2.773 2.944 1.00 0.00 C ATOM 174 CD2 LEU A 13 10.405 -4.393 3.761 1.00 0.00 C ATOM 0 H LEU A 13 9.697 -2.630 0.468 1.00 0.00 H new ATOM 0 HA LEU A 13 9.777 -5.505 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.063 -5.001 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.611 -5.823 1.887 1.00 0.00 H new ATOM 0 HG LEU A 13 10.460 -3.247 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.074 -2.007 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.218 -2.308 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.835 -3.281 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.813 -3.595 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.688 -4.973 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.214 -5.044 3.428 1.00 0.00 H new ATOM 185 N CYS A 14 7.819 -5.325 -1.692 1.00 0.00 N ATOM 186 CA CYS A 14 6.598 -5.382 -2.479 1.00 0.00 C ATOM 187 C CYS A 14 5.593 -6.269 -1.742 1.00 0.00 C ATOM 188 O CYS A 14 5.945 -7.345 -1.260 1.00 0.00 O ATOM 189 CB CYS A 14 6.865 -5.881 -3.900 1.00 0.00 C ATOM 190 SG CYS A 14 8.586 -5.492 -4.387 1.00 0.00 S ATOM 0 H CYS A 14 8.595 -5.870 -2.068 1.00 0.00 H new ATOM 0 HA CYS A 14 6.185 -4.379 -2.588 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.697 -6.957 -3.954 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.167 -5.414 -4.595 1.00 0.00 H new ATOM 0 HG CYS A 14 8.934 -6.244 -5.388 1.00 0.00 H new ATOM 195 N ILE A 15 4.361 -5.786 -1.678 1.00 0.00 N ATOM 196 CA ILE A 15 3.302 -6.521 -1.008 1.00 0.00 C ATOM 197 C ILE A 15 2.132 -6.716 -1.975 1.00 0.00 C ATOM 198 O ILE A 15 1.289 -5.832 -2.120 1.00 0.00 O ATOM 199 CB ILE A 15 2.912 -5.828 0.299 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.761 -6.337 1.465 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.414 -5.978 0.572 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.250 -6.106 1.200 1.00 0.00 C ATOM 0 H ILE A 15 4.072 -4.894 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 15 3.649 -7.514 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 15 3.116 -4.762 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.468 -5.827 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.576 -7.400 1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.163 -5.477 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.849 -5.529 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.162 -7.036 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.832 -6.477 2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.545 -6.637 0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.436 -5.040 1.072 1.00 0.00 H new ATOM 213 N ARG A 16 2.118 -7.878 -2.610 1.00 0.00 N ATOM 214 CA ARG A 16 1.066 -8.200 -3.559 1.00 0.00 C ATOM 215 C ARG A 16 -0.028 -9.027 -2.879 1.00 0.00 C ATOM 216 O ARG A 16 0.171 -10.206 -2.587 1.00 0.00 O ATOM 217 CB ARG A 16 1.619 -8.982 -4.751 1.00 0.00 C ATOM 218 CG ARG A 16 1.409 -8.212 -6.057 1.00 0.00 C ATOM 219 CD ARG A 16 2.711 -8.124 -6.857 1.00 0.00 C ATOM 220 NE ARG A 16 2.415 -8.133 -8.307 1.00 0.00 N ATOM 221 CZ ARG A 16 3.338 -7.922 -9.268 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.625 -7.682 -8.942 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.963 -7.953 -10.534 1.00 0.00 N ATOM 0 H ARG A 16 2.819 -8.609 -2.486 1.00 0.00 H new ATOM 0 HA ARG A 16 0.646 -7.261 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.682 -9.173 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.127 -9.953 -4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.643 -8.706 -6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.044 -7.209 -5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.249 -7.214 -6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.360 -8.963 -6.605 1.00 0.00 H new ATOM 0 HE ARG A 16 1.453 -8.310 -8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.907 -7.659 -7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.316 -7.524 -9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.988 -8.134 -10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.648 -7.795 -11.273 1.00 0.00 H new ATOM 233 N LEU A 17 -1.158 -8.377 -2.645 1.00 0.00 N ATOM 234 CA LEU A 17 -2.282 -9.038 -2.005 1.00 0.00 C ATOM 235 C LEU A 17 -3.411 -9.215 -3.023 1.00 0.00 C ATOM 236 O LEU A 17 -3.739 -8.288 -3.760 1.00 0.00 O ATOM 237 CB LEU A 17 -2.704 -8.277 -0.746 1.00 0.00 C ATOM 238 CG LEU A 17 -3.636 -7.083 -0.964 1.00 0.00 C ATOM 239 CD1 LEU A 17 -2.997 -6.054 -1.899 1.00 0.00 C ATOM 240 CD2 LEU A 17 -5.006 -7.540 -1.467 1.00 0.00 C ATOM 0 H LEU A 17 -1.319 -7.399 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.997 -10.034 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.195 -8.977 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.805 -7.923 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.794 -6.593 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.679 -5.215 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.065 -5.695 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.791 -6.518 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.648 -6.671 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.889 -8.068 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.459 -8.207 -0.733 1.00 0.00 H new ATOM 251 N THR A 18 -3.973 -10.415 -3.031 1.00 0.00 N ATOM 252 CA THR A 18 -5.058 -10.728 -3.946 1.00 0.00 C ATOM 253 C THR A 18 -6.262 -11.275 -3.178 1.00 0.00 C ATOM 254 O THR A 18 -6.200 -12.368 -2.616 1.00 0.00 O ATOM 255 CB THR A 18 -4.520 -11.693 -5.004 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.590 -12.505 -4.293 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.668 -10.988 -6.061 1.00 0.00 C ATOM 0 H THR A 18 -3.697 -11.182 -2.418 1.00 0.00 H new ATOM 0 HA THR A 18 -5.418 -9.834 -4.455 1.00 0.00 H new ATOM 0 HB THR A 18 -5.354 -12.200 -5.490 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.194 -13.161 -4.904 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.311 -11.718 -6.787 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.269 -10.234 -6.569 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.815 -10.508 -5.580 1.00 0.00 H new ATOM 265 N GLY A 19 -7.331 -10.492 -3.180 1.00 0.00 N ATOM 266 CA GLY A 19 -8.548 -10.887 -2.491 1.00 0.00 C ATOM 267 C GLY A 19 -9.502 -9.699 -2.341 1.00 0.00 C ATOM 268 O GLY A 19 -9.957 -9.135 -3.334 1.00 0.00 O ATOM 0 H GLY A 19 -7.380 -9.587 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.041 -11.686 -3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.300 -11.286 -1.507 1.00 0.00 H new ATOM 272 N GLU A 20 -9.776 -9.355 -1.091 1.00 0.00 N ATOM 273 CA GLU A 20 -10.667 -8.245 -0.798 1.00 0.00 C ATOM 274 C GLU A 20 -9.962 -7.218 0.090 1.00 0.00 C ATOM 275 O GLU A 20 -8.923 -7.511 0.679 1.00 0.00 O ATOM 276 CB GLU A 20 -11.960 -8.738 -0.147 1.00 0.00 C ATOM 277 CG GLU A 20 -13.152 -8.561 -1.090 1.00 0.00 C ATOM 278 CD GLU A 20 -13.524 -9.886 -1.759 1.00 0.00 C ATOM 279 OE1 GLU A 20 -12.715 -10.449 -2.511 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.701 -10.329 -1.472 1.00 0.00 O ATOM 0 H GLU A 20 -9.397 -9.826 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.934 -7.761 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.858 -9.789 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.138 -8.188 0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.007 -8.178 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.910 -7.820 -1.852 1.00 0.00 H new ATOM 286 N LEU A 21 -10.556 -6.036 0.158 1.00 0.00 N ATOM 287 CA LEU A 21 -9.997 -4.963 0.964 1.00 0.00 C ATOM 288 C LEU A 21 -11.008 -4.560 2.040 1.00 0.00 C ATOM 289 O LEU A 21 -11.718 -3.567 1.887 1.00 0.00 O ATOM 290 CB LEU A 21 -9.549 -3.802 0.075 1.00 0.00 C ATOM 291 CG LEU A 21 -8.051 -3.735 -0.234 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.223 -4.246 0.946 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.725 -4.480 -1.530 1.00 0.00 C ATOM 0 H LEU A 21 -11.418 -5.797 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.099 -5.302 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.092 -3.861 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.843 -2.868 0.554 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.780 -2.690 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.163 -4.187 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.425 -3.634 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.490 -5.282 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.655 -4.417 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.015 -5.526 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.273 -4.028 -2.357 1.00 0.00 H new ATOM 304 N ASP A 22 -11.043 -5.352 3.101 1.00 0.00 N ATOM 305 CA ASP A 22 -11.956 -5.089 4.201 1.00 0.00 C ATOM 306 C ASP A 22 -11.232 -5.331 5.527 1.00 0.00 C ATOM 307 O ASP A 22 -10.128 -5.872 5.546 1.00 0.00 O ATOM 308 CB ASP A 22 -13.167 -6.023 4.146 1.00 0.00 C ATOM 309 CG ASP A 22 -13.218 -6.944 2.925 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.610 -8.116 3.026 1.00 0.00 O ATOM 311 OD2 ASP A 22 -12.832 -6.405 1.819 1.00 0.00 O ATOM 0 H ASP A 22 -10.454 -6.176 3.223 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.293 -4.056 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.174 -6.637 5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.074 -5.419 4.165 1.00 0.00 H new ATOM 316 N HIS A 23 -11.885 -4.918 6.604 1.00 0.00 N ATOM 317 CA HIS A 23 -11.318 -5.083 7.932 1.00 0.00 C ATOM 318 C HIS A 23 -10.838 -6.525 8.110 1.00 0.00 C ATOM 319 O HIS A 23 -10.006 -6.805 8.971 1.00 0.00 O ATOM 320 CB HIS A 23 -12.317 -4.653 9.007 1.00 0.00 C ATOM 321 CG HIS A 23 -13.183 -5.777 9.525 1.00 0.00 C ATOM 322 ND1 HIS A 23 -12.926 -6.433 10.717 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.303 -6.354 9.002 1.00 0.00 C ATOM 324 CE1 HIS A 23 -13.856 -7.360 10.892 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.707 -7.310 9.828 1.00 0.00 N ATOM 0 H HIS A 23 -12.801 -4.470 6.584 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.451 -4.432 8.044 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.770 -4.215 9.842 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.959 -3.871 8.600 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.780 -6.079 8.073 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.928 -8.037 11.731 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.521 -7.909 9.690 1.00 0.00 H new ATOM 332 N HIS A 24 -11.385 -7.402 7.281 1.00 0.00 N ATOM 333 CA HIS A 24 -11.024 -8.809 7.336 1.00 0.00 C ATOM 334 C HIS A 24 -9.756 -9.046 6.513 1.00 0.00 C ATOM 335 O HIS A 24 -8.836 -9.727 6.964 1.00 0.00 O ATOM 336 CB HIS A 24 -12.193 -9.688 6.889 1.00 0.00 C ATOM 337 CG HIS A 24 -13.262 -9.870 7.940 1.00 0.00 C ATOM 338 ND1 HIS A 24 -13.205 -10.863 8.903 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.413 -9.176 8.170 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.279 -10.761 9.672 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.028 -9.716 9.214 1.00 0.00 N ATOM 0 H HIS A 24 -12.075 -7.166 6.568 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.806 -9.092 8.366 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.644 -9.250 5.999 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.809 -10.667 6.603 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.463 -11.555 9.003 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.765 -8.330 7.599 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -14.520 -11.394 10.514 1.00 0.00 H new ATOM 348 N THR A 25 -9.747 -8.469 5.320 1.00 0.00 N ATOM 349 CA THR A 25 -8.607 -8.609 4.430 1.00 0.00 C ATOM 350 C THR A 25 -7.494 -7.638 4.832 1.00 0.00 C ATOM 351 O THR A 25 -6.312 -7.944 4.677 1.00 0.00 O ATOM 352 CB THR A 25 -9.099 -8.408 2.995 1.00 0.00 C ATOM 353 OG1 THR A 25 -9.092 -6.995 2.820 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.569 -8.797 2.821 1.00 0.00 C ATOM 0 H THR A 25 -10.511 -7.904 4.949 1.00 0.00 H new ATOM 0 HA THR A 25 -8.169 -9.605 4.502 1.00 0.00 H new ATOM 0 HB THR A 25 -8.484 -8.997 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.580 -6.767 2.016 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.868 -8.635 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.700 -9.848 3.077 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.188 -8.184 3.477 1.00 0.00 H new ATOM 362 N ALA A 26 -7.912 -6.488 5.340 1.00 0.00 N ATOM 363 CA ALA A 26 -6.965 -5.471 5.765 1.00 0.00 C ATOM 364 C ALA A 26 -6.233 -5.953 7.019 1.00 0.00 C ATOM 365 O ALA A 26 -5.151 -5.463 7.337 1.00 0.00 O ATOM 366 CB ALA A 26 -7.703 -4.151 5.993 1.00 0.00 C ATOM 0 H ALA A 26 -8.893 -6.238 5.467 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.216 -5.298 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.993 -3.388 6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.182 -3.837 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.461 -4.286 6.764 1.00 0.00 H new ATOM 372 N GLU A 27 -6.855 -6.907 7.698 1.00 0.00 N ATOM 373 CA GLU A 27 -6.275 -7.460 8.910 1.00 0.00 C ATOM 374 C GLU A 27 -4.984 -8.215 8.586 1.00 0.00 C ATOM 375 O GLU A 27 -3.940 -7.947 9.177 1.00 0.00 O ATOM 376 CB GLU A 27 -7.274 -8.369 9.630 1.00 0.00 C ATOM 377 CG GLU A 27 -7.507 -7.898 11.066 1.00 0.00 C ATOM 378 CD GLU A 27 -8.946 -7.413 11.257 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.858 -8.231 11.446 1.00 0.00 O ATOM 380 OE2 GLU A 27 -9.100 -6.133 11.206 1.00 0.00 O ATOM 0 H GLU A 27 -7.753 -7.310 7.432 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.032 -6.636 9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.220 -8.377 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.901 -9.393 9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.299 -8.714 11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.813 -7.092 11.305 1.00 0.00 H new ATOM 386 N THR A 28 -5.098 -9.141 7.646 1.00 0.00 N ATOM 387 CA THR A 28 -3.953 -9.935 7.235 1.00 0.00 C ATOM 388 C THR A 28 -2.729 -9.041 7.032 1.00 0.00 C ATOM 389 O THR A 28 -1.647 -9.337 7.539 1.00 0.00 O ATOM 390 CB THR A 28 -4.346 -10.720 5.982 1.00 0.00 C ATOM 391 OG1 THR A 28 -4.705 -12.008 6.477 1.00 0.00 O ATOM 392 CG2 THR A 28 -3.153 -10.993 5.063 1.00 0.00 C ATOM 0 H THR A 28 -5.966 -9.359 7.157 1.00 0.00 H new ATOM 0 HA THR A 28 -3.670 -10.649 8.008 1.00 0.00 H new ATOM 0 HB THR A 28 -5.108 -10.168 5.432 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.975 -12.582 5.730 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.487 -11.553 4.189 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.716 -10.047 4.743 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.404 -11.574 5.602 1.00 0.00 H new ATOM 400 N LEU A 29 -2.939 -7.964 6.291 1.00 0.00 N ATOM 401 CA LEU A 29 -1.865 -7.024 6.014 1.00 0.00 C ATOM 402 C LEU A 29 -1.440 -6.345 7.318 1.00 0.00 C ATOM 403 O LEU A 29 -0.288 -5.943 7.464 1.00 0.00 O ATOM 404 CB LEU A 29 -2.282 -6.041 4.917 1.00 0.00 C ATOM 405 CG LEU A 29 -1.209 -5.694 3.885 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.469 -6.949 3.418 1.00 0.00 C ATOM 407 CD2 LEU A 29 -1.806 -4.913 2.713 1.00 0.00 C ATOM 0 H LEU A 29 -3.837 -7.720 5.873 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.991 -7.547 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.142 -6.457 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.614 -5.117 5.391 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.474 -5.046 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.288 -6.673 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.010 -7.428 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.178 -7.642 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.021 -4.679 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.574 -5.515 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.249 -3.987 3.081 1.00 0.00 H new ATOM 418 N LYS A 30 -2.395 -6.239 8.231 1.00 0.00 N ATOM 419 CA LYS A 30 -2.132 -5.615 9.517 1.00 0.00 C ATOM 420 C LYS A 30 -0.817 -6.155 10.082 1.00 0.00 C ATOM 421 O LYS A 30 -0.005 -5.395 10.608 1.00 0.00 O ATOM 422 CB LYS A 30 -3.327 -5.801 10.455 1.00 0.00 C ATOM 423 CG LYS A 30 -3.452 -4.623 11.423 1.00 0.00 C ATOM 424 CD LYS A 30 -2.423 -4.727 12.551 1.00 0.00 C ATOM 425 CE LYS A 30 -1.621 -3.432 12.683 1.00 0.00 C ATOM 426 NZ LYS A 30 -0.422 -3.648 13.524 1.00 0.00 N ATOM 0 H LYS A 30 -3.350 -6.574 8.106 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.010 -4.538 9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.242 -5.894 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.212 -6.728 11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.311 -3.687 10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.457 -4.599 11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.930 -4.942 13.492 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.747 -5.559 12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.321 -3.081 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.245 -2.654 13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.111 -2.759 13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.714 -3.962 14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.181 -4.375 13.089 1.00 0.00 H new ATOM 435 N GLN A 31 -0.647 -7.462 9.954 1.00 0.00 N ATOM 436 CA GLN A 31 0.556 -8.112 10.446 1.00 0.00 C ATOM 437 C GLN A 31 1.743 -7.788 9.537 1.00 0.00 C ATOM 438 O GLN A 31 2.883 -7.728 9.996 1.00 0.00 O ATOM 439 CB GLN A 31 0.354 -9.624 10.563 1.00 0.00 C ATOM 440 CG GLN A 31 0.445 -10.298 9.192 1.00 0.00 C ATOM 441 CD GLN A 31 -0.611 -11.396 9.050 1.00 0.00 C ATOM 442 OE1 GLN A 31 -0.327 -12.521 8.673 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.842 -11.007 9.370 1.00 0.00 N ATOM 0 H GLN A 31 -1.322 -8.089 9.517 1.00 0.00 H new ATOM 0 HA GLN A 31 0.770 -7.728 11.444 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.107 -10.044 11.229 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.618 -9.831 11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.309 -9.554 8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.439 -10.725 9.058 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.010 -10.049 9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.618 -11.666 9.307 1.00 0.00 H new ATOM 450 N LYS A 32 1.436 -7.586 8.264 1.00 0.00 N ATOM 451 CA LYS A 32 2.464 -7.269 7.287 1.00 0.00 C ATOM 452 C LYS A 32 2.939 -5.830 7.502 1.00 0.00 C ATOM 453 O LYS A 32 3.976 -5.431 6.976 1.00 0.00 O ATOM 454 CB LYS A 32 1.958 -7.544 5.869 1.00 0.00 C ATOM 455 CG LYS A 32 2.692 -6.674 4.847 1.00 0.00 C ATOM 456 CD LYS A 32 2.051 -5.289 4.745 1.00 0.00 C ATOM 457 CE LYS A 32 3.118 -4.192 4.700 1.00 0.00 C ATOM 458 NZ LYS A 32 4.378 -4.719 4.130 1.00 0.00 N ATOM 0 H LYS A 32 0.490 -7.636 7.886 1.00 0.00 H new ATOM 0 HA LYS A 32 3.331 -7.915 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.101 -8.597 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.887 -7.348 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.739 -6.574 5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.674 -7.160 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.432 -5.236 3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.392 -5.126 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.762 -3.355 4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.298 -3.810 5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.098 -4.781 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.210 -5.665 3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.713 -4.082 3.379 1.00 0.00 H new ATOM 467 N VAL A 33 2.158 -5.092 8.276 1.00 0.00 N ATOM 468 CA VAL A 33 2.485 -3.707 8.567 1.00 0.00 C ATOM 469 C VAL A 33 3.489 -3.656 9.721 1.00 0.00 C ATOM 470 O VAL A 33 4.548 -3.044 9.601 1.00 0.00 O ATOM 471 CB VAL A 33 1.207 -2.915 8.851 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.491 -1.412 8.892 1.00 0.00 C ATOM 473 CG2 VAL A 33 0.121 -3.241 7.824 1.00 0.00 C ATOM 0 H VAL A 33 1.299 -5.427 8.711 1.00 0.00 H new ATOM 0 HA VAL A 33 2.957 -3.237 7.704 1.00 0.00 H new ATOM 0 HB VAL A 33 0.839 -3.213 9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.566 -0.872 9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.215 -1.200 9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.894 -1.092 7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.777 -2.665 8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.476 -2.985 6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.111 -4.305 7.865 1.00 0.00 H new ATOM 483 N THR A 34 3.119 -4.308 10.813 1.00 0.00 N ATOM 484 CA THR A 34 3.973 -4.345 11.988 1.00 0.00 C ATOM 485 C THR A 34 5.420 -4.639 11.586 1.00 0.00 C ATOM 486 O THR A 34 6.354 -4.077 12.158 1.00 0.00 O ATOM 487 CB THR A 34 3.393 -5.372 12.963 1.00 0.00 C ATOM 488 OG1 THR A 34 4.495 -5.719 13.798 1.00 0.00 O ATOM 489 CG2 THR A 34 3.020 -6.687 12.275 1.00 0.00 C ATOM 0 H THR A 34 2.239 -4.815 10.909 1.00 0.00 H new ATOM 0 HA THR A 34 3.997 -3.377 12.489 1.00 0.00 H new ATOM 0 HB THR A 34 2.512 -4.953 13.449 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.207 -6.380 14.462 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.614 -7.380 13.011 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.272 -6.496 11.505 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.908 -7.123 11.818 1.00 0.00 H new ATOM 497 N GLN A 35 5.561 -5.519 10.606 1.00 0.00 N ATOM 498 CA GLN A 35 6.878 -5.895 10.121 1.00 0.00 C ATOM 499 C GLN A 35 7.630 -4.661 9.618 1.00 0.00 C ATOM 500 O GLN A 35 8.823 -4.509 9.877 1.00 0.00 O ATOM 501 CB GLN A 35 6.777 -6.958 9.026 1.00 0.00 C ATOM 502 CG GLN A 35 6.855 -6.323 7.636 1.00 0.00 C ATOM 503 CD GLN A 35 6.704 -7.382 6.541 1.00 0.00 C ATOM 504 OE1 GLN A 35 7.666 -7.957 6.060 1.00 0.00 O ATOM 505 NE2 GLN A 35 5.444 -7.604 6.175 1.00 0.00 N ATOM 0 H GLN A 35 4.785 -5.983 10.134 1.00 0.00 H new ATOM 0 HA GLN A 35 7.439 -6.327 10.950 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.582 -7.684 9.144 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.839 -7.503 9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.072 -5.572 7.531 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.809 -5.808 7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.685 -7.087 6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.237 -8.291 5.450 1.00 0.00 H new ATOM 512 N SER A 36 6.902 -3.811 8.909 1.00 0.00 N ATOM 513 CA SER A 36 7.485 -2.595 8.369 1.00 0.00 C ATOM 514 C SER A 36 7.651 -1.556 9.478 1.00 0.00 C ATOM 515 O SER A 36 8.518 -0.686 9.396 1.00 0.00 O ATOM 516 CB SER A 36 6.626 -2.029 7.236 1.00 0.00 C ATOM 517 OG SER A 36 7.415 -1.377 6.244 1.00 0.00 O ATOM 0 H SER A 36 5.913 -3.941 8.696 1.00 0.00 H new ATOM 0 HA SER A 36 8.465 -2.839 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.057 -2.836 6.774 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.903 -1.324 7.646 1.00 0.00 H new ATOM 0 HG SER A 36 6.831 -1.031 5.537 1.00 0.00 H new ATOM 522 N LEU A 37 6.807 -1.679 10.493 1.00 0.00 N ATOM 523 CA LEU A 37 6.850 -0.761 11.618 1.00 0.00 C ATOM 524 C LEU A 37 8.291 -0.641 12.119 1.00 0.00 C ATOM 525 O LEU A 37 8.708 0.423 12.573 1.00 0.00 O ATOM 526 CB LEU A 37 5.857 -1.192 12.700 1.00 0.00 C ATOM 527 CG LEU A 37 4.726 -0.207 13.003 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.283 1.167 13.378 1.00 0.00 C ATOM 529 CD2 LEU A 37 3.740 -0.129 11.836 1.00 0.00 C ATOM 0 H LEU A 37 6.089 -2.401 10.559 1.00 0.00 H new ATOM 0 HA LEU A 37 6.536 0.236 11.308 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.414 -2.142 12.401 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.410 -1.374 13.621 1.00 0.00 H new ATOM 0 HG LEU A 37 4.172 -0.576 13.866 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.459 1.849 13.589 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.913 1.075 14.263 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.875 1.558 12.550 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.946 0.578 12.077 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.263 0.204 10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.308 -1.114 11.659 1.00 0.00 H new ATOM 540 N GLU A 38 9.012 -1.748 12.019 1.00 0.00 N ATOM 541 CA GLU A 38 10.397 -1.781 12.456 1.00 0.00 C ATOM 542 C GLU A 38 11.111 -3.000 11.868 1.00 0.00 C ATOM 543 O GLU A 38 11.378 -3.969 12.578 1.00 0.00 O ATOM 544 CB GLU A 38 10.490 -1.774 13.983 1.00 0.00 C ATOM 545 CG GLU A 38 10.365 -0.352 14.534 1.00 0.00 C ATOM 546 CD GLU A 38 11.324 -0.131 15.706 1.00 0.00 C ATOM 547 OE1 GLU A 38 11.200 -0.801 16.742 1.00 0.00 O ATOM 548 OE2 GLU A 38 12.223 0.773 15.511 1.00 0.00 O ATOM 0 H GLU A 38 8.663 -2.629 11.642 1.00 0.00 H new ATOM 0 HA GLU A 38 10.894 -0.883 12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.702 -2.400 14.402 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.441 -2.206 14.295 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.579 0.368 13.744 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.340 -0.173 14.859 1.00 0.00 H new ATOM 554 N LYS A 39 11.398 -2.912 10.578 1.00 0.00 N ATOM 555 CA LYS A 39 12.076 -3.996 9.887 1.00 0.00 C ATOM 556 C LYS A 39 13.534 -4.056 10.346 1.00 0.00 C ATOM 557 O LYS A 39 14.046 -5.128 10.661 1.00 0.00 O ATOM 558 CB LYS A 39 11.913 -3.851 8.373 1.00 0.00 C ATOM 559 CG LYS A 39 12.336 -5.131 7.650 1.00 0.00 C ATOM 560 CD LYS A 39 13.858 -5.199 7.500 1.00 0.00 C ATOM 561 CE LYS A 39 14.408 -3.903 6.899 1.00 0.00 C ATOM 562 NZ LYS A 39 15.704 -4.152 6.232 1.00 0.00 N ATOM 0 H LYS A 39 11.174 -2.107 9.993 1.00 0.00 H new ATOM 0 HA LYS A 39 11.622 -4.953 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.874 -3.622 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.513 -3.013 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.983 -6.000 8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.868 -5.169 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.315 -5.376 8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.127 -6.042 6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.695 -3.496 6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.533 -3.156 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.837 -3.463 5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.475 -4.053 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.713 -5.115 5.839 1.00 0.00 H new ATOM 571 N ASP A 40 14.162 -2.889 10.370 1.00 0.00 N ATOM 572 CA ASP A 40 15.551 -2.795 10.786 1.00 0.00 C ATOM 573 C ASP A 40 16.115 -1.438 10.360 1.00 0.00 C ATOM 574 O ASP A 40 16.027 -0.464 11.106 1.00 0.00 O ATOM 575 CB ASP A 40 16.398 -3.886 10.128 1.00 0.00 C ATOM 576 CG ASP A 40 16.576 -5.157 10.960 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.327 -5.164 12.175 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.995 -6.184 10.303 1.00 0.00 O ATOM 0 H ASP A 40 13.734 -2.001 10.108 1.00 0.00 H new ATOM 0 HA ASP A 40 15.588 -2.914 11.869 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.941 -4.154 9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.383 -3.475 9.905 1.00 0.00 H new ATOM 583 N ASP A 41 16.682 -1.417 9.163 1.00 0.00 N ATOM 584 CA ASP A 41 17.260 -0.196 8.629 1.00 0.00 C ATOM 585 C ASP A 41 16.140 0.713 8.120 1.00 0.00 C ATOM 586 O ASP A 41 15.321 1.194 8.901 1.00 0.00 O ATOM 587 CB ASP A 41 18.196 -0.496 7.457 1.00 0.00 C ATOM 588 CG ASP A 41 18.886 0.728 6.851 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.093 1.745 7.528 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.220 0.607 5.610 1.00 0.00 O ATOM 0 H ASP A 41 16.753 -2.227 8.547 1.00 0.00 H new ATOM 0 HA ASP A 41 17.825 0.286 9.427 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.961 -1.197 7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.626 -0.997 6.675 1.00 0.00 H new ATOM 595 N ILE A 42 16.141 0.922 6.811 1.00 0.00 N ATOM 596 CA ILE A 42 15.134 1.765 6.187 1.00 0.00 C ATOM 597 C ILE A 42 14.833 1.238 4.783 1.00 0.00 C ATOM 598 O ILE A 42 15.412 1.706 3.804 1.00 0.00 O ATOM 599 CB ILE A 42 15.572 3.230 6.214 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.191 3.893 7.539 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.013 3.991 5.011 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.718 3.644 7.872 1.00 0.00 C ATOM 0 H ILE A 42 16.823 0.523 6.166 1.00 0.00 H new ATOM 0 HA ILE A 42 14.201 1.725 6.749 1.00 0.00 H new ATOM 0 HB ILE A 42 16.659 3.263 6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.820 3.503 8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.378 4.965 7.481 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.339 5.030 5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.377 3.534 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.924 3.952 5.030 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.472 4.126 8.819 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.091 4.057 7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.540 2.572 7.954 1.00 0.00 H new ATOM 613 N ARG A 43 13.929 0.271 4.729 1.00 0.00 N ATOM 614 CA ARG A 43 13.544 -0.324 3.460 1.00 0.00 C ATOM 615 C ARG A 43 12.484 0.537 2.770 1.00 0.00 C ATOM 616 O ARG A 43 12.265 1.684 3.154 1.00 0.00 O ATOM 617 CB ARG A 43 12.994 -1.738 3.659 1.00 0.00 C ATOM 618 CG ARG A 43 14.035 -2.791 3.278 1.00 0.00 C ATOM 619 CD ARG A 43 13.399 -3.927 2.475 1.00 0.00 C ATOM 620 NE ARG A 43 13.380 -5.168 3.281 1.00 0.00 N ATOM 621 CZ ARG A 43 14.489 -5.807 3.711 1.00 0.00 C ATOM 622 NH1 ARG A 43 15.715 -5.327 3.415 1.00 0.00 N ATOM 623 NH2 ARG A 43 14.355 -6.910 4.425 1.00 0.00 N ATOM 0 H ARG A 43 13.452 -0.115 5.543 1.00 0.00 H new ATOM 0 HA ARG A 43 14.435 -0.378 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.699 -1.874 4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.098 -1.872 3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.829 -2.327 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.497 -3.193 4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.384 -3.655 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.959 -4.090 1.554 1.00 0.00 H new ATOM 0 HE ARG A 43 12.473 -5.565 3.527 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.809 -4.475 2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.547 -5.816 3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.425 -7.266 4.643 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.182 -7.406 4.758 1.00 0.00 H new ATOM 633 N HIS A 44 11.854 -0.052 1.764 1.00 0.00 N ATOM 634 CA HIS A 44 10.822 0.646 1.017 1.00 0.00 C ATOM 635 C HIS A 44 9.589 -0.250 0.883 1.00 0.00 C ATOM 636 O HIS A 44 9.686 -1.469 1.015 1.00 0.00 O ATOM 637 CB HIS A 44 11.357 1.122 -0.335 1.00 0.00 C ATOM 638 CG HIS A 44 12.453 2.157 -0.232 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.405 3.211 0.663 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.623 2.287 -0.918 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.503 3.938 0.512 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.256 3.363 -0.470 1.00 0.00 N ATOM 0 H HIS A 44 12.038 -1.004 1.449 1.00 0.00 H new ATOM 0 HA HIS A 44 10.520 1.542 1.559 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.734 0.262 -0.888 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.533 1.537 -0.915 1.00 0.00 H new ATOM 0 HD2 HIS A 44 13.976 1.625 -1.695 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.757 4.828 1.068 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.157 3.704 -0.804 1.00 0.00 H new ATOM 649 N ILE A 45 8.457 0.389 0.624 1.00 0.00 N ATOM 650 CA ILE A 45 7.207 -0.335 0.471 1.00 0.00 C ATOM 651 C ILE A 45 6.830 -0.385 -1.010 1.00 0.00 C ATOM 652 O ILE A 45 7.286 0.439 -1.799 1.00 0.00 O ATOM 653 CB ILE A 45 6.123 0.273 1.362 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.981 1.774 1.106 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.390 -0.033 2.838 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.383 2.126 -0.328 1.00 0.00 C ATOM 0 H ILE A 45 8.380 1.400 0.516 1.00 0.00 H new ATOM 0 HA ILE A 45 7.320 -1.366 0.806 1.00 0.00 H new ATOM 0 HB ILE A 45 5.170 -0.190 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.950 2.081 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.605 2.327 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.604 0.411 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.402 -1.112 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.354 0.384 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.273 3.199 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.421 1.840 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.742 1.590 -1.028 1.00 0.00 H new ATOM 667 N VAL A 46 5.996 -1.362 -1.343 1.00 0.00 N ATOM 668 CA VAL A 46 5.552 -1.529 -2.717 1.00 0.00 C ATOM 669 C VAL A 46 4.236 -2.310 -2.729 1.00 0.00 C ATOM 670 O VAL A 46 4.239 -3.535 -2.834 1.00 0.00 O ATOM 671 CB VAL A 46 6.651 -2.196 -3.545 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.056 -3.170 -4.564 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.530 -1.151 -4.234 1.00 0.00 C ATOM 0 H VAL A 46 5.617 -2.044 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 46 5.361 -0.560 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 46 7.282 -2.768 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.859 -3.630 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.494 -3.944 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.390 -2.630 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.303 -1.653 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.917 -0.539 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.997 -0.515 -3.482 1.00 0.00 H new ATOM 683 N LEU A 47 3.143 -1.568 -2.623 1.00 0.00 N ATOM 684 CA LEU A 47 1.824 -2.175 -2.621 1.00 0.00 C ATOM 685 C LEU A 47 1.354 -2.369 -4.064 1.00 0.00 C ATOM 686 O LEU A 47 1.785 -1.647 -4.962 1.00 0.00 O ATOM 687 CB LEU A 47 0.858 -1.355 -1.764 1.00 0.00 C ATOM 688 CG LEU A 47 1.158 -1.317 -0.264 1.00 0.00 C ATOM 689 CD1 LEU A 47 2.623 -1.659 0.011 1.00 0.00 C ATOM 690 CD2 LEU A 47 0.761 0.033 0.340 1.00 0.00 C ATOM 0 H LEU A 47 3.145 -0.552 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 47 1.860 -3.163 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.850 -0.331 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.147 -1.753 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 47 0.552 -2.080 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.809 -1.625 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.839 -2.660 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.266 -0.937 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.984 0.034 1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.322 0.829 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.306 0.198 0.193 1.00 0.00 H new ATOM 701 N ASN A 48 0.476 -3.345 -4.241 1.00 0.00 N ATOM 702 CA ASN A 48 -0.057 -3.642 -5.561 1.00 0.00 C ATOM 703 C ASN A 48 -1.077 -4.776 -5.450 1.00 0.00 C ATOM 704 O ASN A 48 -0.709 -5.930 -5.238 1.00 0.00 O ATOM 705 CB ASN A 48 1.052 -4.095 -6.513 1.00 0.00 C ATOM 706 CG ASN A 48 0.481 -4.927 -7.663 1.00 0.00 C ATOM 707 OD1 ASN A 48 -0.651 -4.754 -8.086 1.00 0.00 O ATOM 708 ND2 ASN A 48 1.323 -5.838 -8.142 1.00 0.00 N ATOM 0 H ASN A 48 0.120 -3.940 -3.493 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.519 -2.735 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.572 -3.224 -6.912 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.789 -4.682 -5.965 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.035 -6.445 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.257 -5.930 -7.742 1.00 0.00 H new ATOM 714 N LEU A 49 -2.341 -4.407 -5.599 1.00 0.00 N ATOM 715 CA LEU A 49 -3.419 -5.379 -5.518 1.00 0.00 C ATOM 716 C LEU A 49 -4.011 -5.594 -6.912 1.00 0.00 C ATOM 717 O LEU A 49 -4.419 -4.639 -7.570 1.00 0.00 O ATOM 718 CB LEU A 49 -4.449 -4.952 -4.470 1.00 0.00 C ATOM 719 CG LEU A 49 -5.850 -4.636 -4.998 1.00 0.00 C ATOM 720 CD1 LEU A 49 -6.915 -5.423 -4.231 1.00 0.00 C ATOM 721 CD2 LEU A 49 -6.120 -3.130 -4.972 1.00 0.00 C ATOM 0 H LEU A 49 -2.643 -3.449 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.038 -6.343 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.532 -5.745 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.069 -4.070 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.902 -4.954 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.902 -5.180 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.731 -6.491 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.872 -5.159 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.122 -2.933 -5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.042 -2.764 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.388 -2.618 -5.597 1.00 0.00 H new ATOM 732 N GLU A 50 -4.040 -6.854 -7.320 1.00 0.00 N ATOM 733 CA GLU A 50 -4.576 -7.207 -8.624 1.00 0.00 C ATOM 734 C GLU A 50 -5.995 -7.762 -8.482 1.00 0.00 C ATOM 735 O GLU A 50 -6.771 -7.742 -9.436 1.00 0.00 O ATOM 736 CB GLU A 50 -3.665 -8.207 -9.339 1.00 0.00 C ATOM 737 CG GLU A 50 -3.231 -7.673 -10.705 1.00 0.00 C ATOM 738 CD GLU A 50 -3.139 -8.804 -11.732 1.00 0.00 C ATOM 739 OE1 GLU A 50 -3.761 -9.860 -11.547 1.00 0.00 O ATOM 740 OE2 GLU A 50 -2.388 -8.555 -12.751 1.00 0.00 O ATOM 0 H GLU A 50 -3.701 -7.644 -6.770 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.619 -6.305 -9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.786 -8.406 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.188 -9.155 -9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.942 -6.922 -11.049 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.264 -7.179 -10.616 1.00 0.00 H new ATOM 746 N ASP A 51 -6.291 -8.245 -7.284 1.00 0.00 N ATOM 747 CA ASP A 51 -7.602 -8.804 -7.006 1.00 0.00 C ATOM 748 C ASP A 51 -8.405 -7.813 -6.160 1.00 0.00 C ATOM 749 O ASP A 51 -8.692 -8.078 -4.994 1.00 0.00 O ATOM 750 CB ASP A 51 -7.487 -10.111 -6.219 1.00 0.00 C ATOM 751 CG ASP A 51 -8.814 -10.681 -5.714 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.863 -10.025 -5.797 1.00 0.00 O ATOM 753 OD2 ASP A 51 -8.743 -11.866 -5.212 1.00 0.00 O ATOM 0 H ASP A 51 -5.645 -8.260 -6.495 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.095 -8.998 -7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.006 -10.857 -6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.831 -9.946 -5.364 1.00 0.00 H new ATOM 758 N LEU A 52 -8.745 -6.694 -6.782 1.00 0.00 N ATOM 759 CA LEU A 52 -9.510 -5.662 -6.102 1.00 0.00 C ATOM 760 C LEU A 52 -10.995 -5.841 -6.420 1.00 0.00 C ATOM 761 O LEU A 52 -11.381 -5.901 -7.587 1.00 0.00 O ATOM 762 CB LEU A 52 -8.968 -4.275 -6.452 1.00 0.00 C ATOM 763 CG LEU A 52 -9.811 -3.088 -5.983 1.00 0.00 C ATOM 764 CD1 LEU A 52 -11.212 -3.133 -6.595 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.856 -3.017 -4.455 1.00 0.00 C ATOM 0 H LEU A 52 -8.505 -6.479 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.402 -5.757 -5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.970 -4.178 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.858 -4.212 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.335 -2.172 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.790 -2.278 -6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.136 -3.099 -7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.711 -4.055 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.462 -2.164 -4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.294 -3.934 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.844 -2.902 -4.066 1.00 0.00 H new ATOM 776 N SER A 53 -11.788 -5.922 -5.362 1.00 0.00 N ATOM 777 CA SER A 53 -13.223 -6.093 -5.514 1.00 0.00 C ATOM 778 C SER A 53 -13.965 -5.217 -4.502 1.00 0.00 C ATOM 779 O SER A 53 -14.333 -4.084 -4.808 1.00 0.00 O ATOM 780 CB SER A 53 -13.625 -7.560 -5.342 1.00 0.00 C ATOM 781 OG SER A 53 -15.037 -7.717 -5.230 1.00 0.00 O ATOM 0 H SER A 53 -11.464 -5.872 -4.396 1.00 0.00 H new ATOM 0 HA SER A 53 -13.499 -5.785 -6.523 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.262 -8.137 -6.192 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.143 -7.966 -4.452 1.00 0.00 H new ATOM 0 HG SER A 53 -15.253 -8.667 -5.123 1.00 0.00 H new ATOM 786 N PHE A 54 -14.162 -5.775 -3.317 1.00 0.00 N ATOM 787 CA PHE A 54 -14.854 -5.060 -2.258 1.00 0.00 C ATOM 788 C PHE A 54 -14.189 -3.709 -1.985 1.00 0.00 C ATOM 789 O PHE A 54 -14.756 -2.661 -2.290 1.00 0.00 O ATOM 790 CB PHE A 54 -14.759 -5.924 -0.999 1.00 0.00 C ATOM 791 CG PHE A 54 -15.268 -5.235 0.269 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.594 -5.264 0.573 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.395 -4.592 1.091 1.00 0.00 C ATOM 794 CE1 PHE A 54 -17.065 -4.623 1.750 1.00 0.00 C ATOM 795 CE2 PHE A 54 -14.868 -3.952 2.267 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.192 -3.981 2.572 1.00 0.00 C ATOM 0 H PHE A 54 -13.854 -6.715 -3.066 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.888 -4.875 -2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.328 -6.840 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.720 -6.216 -0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.287 -5.774 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.343 -4.568 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.117 -4.645 1.992 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.175 -3.442 2.920 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.551 -3.494 3.467 1.00 0.00 H new ATOM 805 N MET A 55 -12.995 -3.777 -1.414 1.00 0.00 N ATOM 806 CA MET A 55 -12.247 -2.573 -1.097 1.00 0.00 C ATOM 807 C MET A 55 -13.183 -1.449 -0.645 1.00 0.00 C ATOM 808 O MET A 55 -13.708 -0.704 -1.471 1.00 0.00 O ATOM 809 CB MET A 55 -11.463 -2.118 -2.330 1.00 0.00 C ATOM 810 CG MET A 55 -11.503 -0.596 -2.476 1.00 0.00 C ATOM 811 SD MET A 55 -12.888 -0.117 -3.494 1.00 0.00 S ATOM 812 CE MET A 55 -13.091 -1.603 -4.462 1.00 0.00 C ATOM 0 H MET A 55 -12.527 -4.648 -1.163 1.00 0.00 H new ATOM 0 HA MET A 55 -11.560 -2.800 -0.282 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.428 -2.452 -2.251 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.881 -2.583 -3.223 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.585 -0.130 -1.494 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.574 -0.241 -2.921 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.509 -1.348 -5.436 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.122 -2.084 -4.597 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.766 -2.285 -3.945 1.00 0.00 H new ATOM 820 N ASP A 56 -13.363 -1.363 0.665 1.00 0.00 N ATOM 821 CA ASP A 56 -14.226 -0.344 1.236 1.00 0.00 C ATOM 822 C ASP A 56 -13.392 0.589 2.117 1.00 0.00 C ATOM 823 O ASP A 56 -12.208 0.801 1.858 1.00 0.00 O ATOM 824 CB ASP A 56 -15.316 -0.970 2.108 1.00 0.00 C ATOM 825 CG ASP A 56 -16.607 -0.155 2.215 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.868 0.495 3.238 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.370 -0.207 1.177 1.00 0.00 O ATOM 0 H ASP A 56 -12.926 -1.983 1.347 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.691 0.202 0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.558 -1.955 1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.916 -1.122 3.110 1.00 0.00 H new ATOM 832 N SER A 57 -14.042 1.120 3.143 1.00 0.00 N ATOM 833 CA SER A 57 -13.376 2.024 4.064 1.00 0.00 C ATOM 834 C SER A 57 -12.833 1.244 5.262 1.00 0.00 C ATOM 835 O SER A 57 -12.737 1.781 6.365 1.00 0.00 O ATOM 836 CB SER A 57 -14.325 3.129 4.535 1.00 0.00 C ATOM 837 OG SER A 57 -15.146 2.701 5.618 1.00 0.00 O ATOM 0 H SER A 57 -15.023 0.941 3.356 1.00 0.00 H new ATOM 0 HA SER A 57 -12.545 2.496 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.745 3.999 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.956 3.444 3.704 1.00 0.00 H new ATOM 0 HG SER A 57 -14.589 2.546 6.409 1.00 0.00 H new ATOM 842 N SER A 58 -12.492 -0.010 5.006 1.00 0.00 N ATOM 843 CA SER A 58 -11.962 -0.870 6.050 1.00 0.00 C ATOM 844 C SER A 58 -10.433 -0.837 6.029 1.00 0.00 C ATOM 845 O SER A 58 -9.802 -0.467 7.019 1.00 0.00 O ATOM 846 CB SER A 58 -12.463 -2.306 5.889 1.00 0.00 C ATOM 847 OG SER A 58 -13.466 -2.412 4.882 1.00 0.00 O ATOM 0 H SER A 58 -12.572 -0.451 4.090 1.00 0.00 H new ATOM 0 HA SER A 58 -12.315 -0.497 7.011 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.625 -2.956 5.636 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.864 -2.659 6.839 1.00 0.00 H new ATOM 0 HG SER A 58 -13.978 -3.237 5.016 1.00 0.00 H new ATOM 852 N GLY A 59 -9.879 -1.228 4.890 1.00 0.00 N ATOM 853 CA GLY A 59 -8.436 -1.246 4.727 1.00 0.00 C ATOM 854 C GLY A 59 -7.916 0.120 4.276 1.00 0.00 C ATOM 855 O GLY A 59 -6.710 0.363 4.281 1.00 0.00 O ATOM 0 H GLY A 59 -10.404 -1.535 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.964 -1.525 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.159 -2.004 3.994 1.00 0.00 H new ATOM 859 N LEU A 60 -8.853 0.977 3.896 1.00 0.00 N ATOM 860 CA LEU A 60 -8.505 2.313 3.443 1.00 0.00 C ATOM 861 C LEU A 60 -7.575 2.968 4.465 1.00 0.00 C ATOM 862 O LEU A 60 -6.594 3.611 4.095 1.00 0.00 O ATOM 863 CB LEU A 60 -9.768 3.126 3.152 1.00 0.00 C ATOM 864 CG LEU A 60 -9.798 3.863 1.811 1.00 0.00 C ATOM 865 CD1 LEU A 60 -8.983 5.157 1.879 1.00 0.00 C ATOM 866 CD2 LEU A 60 -9.333 2.952 0.674 1.00 0.00 C ATOM 0 H LEU A 60 -9.852 0.772 3.893 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.960 2.265 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.626 2.455 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.896 3.858 3.949 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.830 4.142 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.020 5.662 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.400 5.810 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.948 4.922 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.364 3.500 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.313 2.620 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.990 2.085 0.611 1.00 0.00 H new ATOM 877 N GLY A 61 -7.915 2.781 5.732 1.00 0.00 N ATOM 878 CA GLY A 61 -7.121 3.345 6.811 1.00 0.00 C ATOM 879 C GLY A 61 -5.881 2.493 7.084 1.00 0.00 C ATOM 880 O GLY A 61 -4.826 3.019 7.432 1.00 0.00 O ATOM 0 H GLY A 61 -8.729 2.247 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.819 4.360 6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.726 3.413 7.715 1.00 0.00 H new ATOM 884 N VAL A 62 -6.051 1.190 6.918 1.00 0.00 N ATOM 885 CA VAL A 62 -4.959 0.257 7.142 1.00 0.00 C ATOM 886 C VAL A 62 -3.837 0.542 6.141 1.00 0.00 C ATOM 887 O VAL A 62 -2.678 0.215 6.391 1.00 0.00 O ATOM 888 CB VAL A 62 -5.474 -1.181 7.069 1.00 0.00 C ATOM 889 CG1 VAL A 62 -4.965 -1.883 5.809 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.091 -1.964 8.326 1.00 0.00 C ATOM 0 H VAL A 62 -6.929 0.757 6.631 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.545 0.388 8.142 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.562 -1.145 7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.346 -2.904 5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.310 -1.343 4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.875 -1.903 5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.469 -2.983 8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.006 -1.986 8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.525 -1.481 9.202 1.00 0.00 H new ATOM 900 N ILE A 63 -4.222 1.147 5.026 1.00 0.00 N ATOM 901 CA ILE A 63 -3.264 1.479 3.985 1.00 0.00 C ATOM 902 C ILE A 63 -2.732 2.894 4.221 1.00 0.00 C ATOM 903 O ILE A 63 -1.547 3.157 4.017 1.00 0.00 O ATOM 904 CB ILE A 63 -3.885 1.278 2.602 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.721 -0.169 2.132 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.313 2.277 1.593 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.078 -0.867 2.024 1.00 0.00 C ATOM 0 H ILE A 63 -5.184 1.416 4.821 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.408 0.805 4.025 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.955 1.473 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.221 -0.186 1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.083 -0.712 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.771 2.112 0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.525 3.293 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.235 2.138 1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.933 -1.894 1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.565 -0.869 2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.704 -0.336 1.307 1.00 0.00 H new ATOM 918 N LEU A 64 -3.633 3.768 4.647 1.00 0.00 N ATOM 919 CA LEU A 64 -3.268 5.149 4.912 1.00 0.00 C ATOM 920 C LEU A 64 -2.419 5.213 6.184 1.00 0.00 C ATOM 921 O LEU A 64 -1.569 6.091 6.323 1.00 0.00 O ATOM 922 CB LEU A 64 -4.516 6.032 4.963 1.00 0.00 C ATOM 923 CG LEU A 64 -4.596 7.015 6.131 1.00 0.00 C ATOM 924 CD1 LEU A 64 -4.718 6.273 7.464 1.00 0.00 C ATOM 925 CD2 LEU A 64 -3.408 7.980 6.119 1.00 0.00 C ATOM 0 H LEU A 64 -4.614 3.546 4.815 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.658 5.544 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.574 6.598 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.393 5.385 4.998 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.498 7.614 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.773 6.995 8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.621 5.662 7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.847 5.633 7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.490 8.668 6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.479 7.415 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.408 8.545 5.187 1.00 0.00 H new ATOM 936 N GLY A 65 -2.678 4.270 7.078 1.00 0.00 N ATOM 937 CA GLY A 65 -1.948 4.209 8.333 1.00 0.00 C ATOM 938 C GLY A 65 -0.502 3.766 8.104 1.00 0.00 C ATOM 939 O GLY A 65 0.339 3.894 8.993 1.00 0.00 O ATOM 0 H GLY A 65 -3.383 3.542 6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.961 5.187 8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.442 3.514 9.012 1.00 0.00 H new ATOM 943 N ARG A 66 -0.256 3.252 6.908 1.00 0.00 N ATOM 944 CA ARG A 66 1.075 2.789 6.551 1.00 0.00 C ATOM 945 C ARG A 66 1.922 3.954 6.035 1.00 0.00 C ATOM 946 O ARG A 66 3.092 4.082 6.391 1.00 0.00 O ATOM 947 CB ARG A 66 1.010 1.700 5.478 1.00 0.00 C ATOM 948 CG ARG A 66 1.635 0.398 5.982 1.00 0.00 C ATOM 949 CD ARG A 66 0.569 -0.679 6.187 1.00 0.00 C ATOM 950 NE ARG A 66 -0.328 -0.735 5.011 1.00 0.00 N ATOM 951 CZ ARG A 66 0.043 -1.192 3.796 1.00 0.00 C ATOM 952 NH1 ARG A 66 1.299 -1.640 3.588 1.00 0.00 N ATOM 953 NH2 ARG A 66 -0.841 -1.196 2.816 1.00 0.00 N ATOM 0 H ARG A 66 -0.956 3.146 6.173 1.00 0.00 H new ATOM 0 HA ARG A 66 1.533 2.372 7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.028 1.524 5.195 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.532 2.035 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.379 0.047 5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.157 0.581 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.044 -1.648 6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.009 -0.463 7.086 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.287 -0.408 5.126 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.975 -1.635 4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.572 -1.984 2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.789 -0.857 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.577 -1.538 1.892 1.00 0.00 H new ATOM 963 N TYR A 67 1.297 4.774 5.203 1.00 0.00 N ATOM 964 CA TYR A 67 1.979 5.925 4.633 1.00 0.00 C ATOM 965 C TYR A 67 2.588 6.799 5.731 1.00 0.00 C ATOM 966 O TYR A 67 3.748 7.200 5.638 1.00 0.00 O ATOM 967 CB TYR A 67 0.906 6.728 3.896 1.00 0.00 C ATOM 968 CG TYR A 67 1.402 7.396 2.611 1.00 0.00 C ATOM 969 CD1 TYR A 67 2.176 8.537 2.682 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.075 6.858 1.383 1.00 0.00 C ATOM 971 CE1 TYR A 67 2.643 9.165 1.473 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.542 7.486 0.174 1.00 0.00 C ATOM 973 CZ TYR A 67 2.303 8.609 0.279 1.00 0.00 C ATOM 974 OH TYR A 67 2.743 9.202 -0.862 1.00 0.00 O ATOM 0 H TYR A 67 0.326 4.665 4.910 1.00 0.00 H new ATOM 0 HA TYR A 67 2.788 5.606 3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.075 6.066 3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.517 7.495 4.565 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.431 8.958 3.643 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.469 5.966 1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.250 10.058 1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.294 7.075 -0.793 1.00 0.00 H new ATOM 0 HH TYR A 67 2.850 10.164 -0.710 1.00 0.00 H new ATOM 983 N LYS A 68 1.780 7.069 6.746 1.00 0.00 N ATOM 984 CA LYS A 68 2.227 7.888 7.860 1.00 0.00 C ATOM 985 C LYS A 68 3.136 7.057 8.767 1.00 0.00 C ATOM 986 O LYS A 68 3.613 7.546 9.790 1.00 0.00 O ATOM 987 CB LYS A 68 1.028 8.503 8.586 1.00 0.00 C ATOM 988 CG LYS A 68 -0.102 8.824 7.606 1.00 0.00 C ATOM 989 CD LYS A 68 -0.664 10.225 7.857 1.00 0.00 C ATOM 990 CE LYS A 68 -1.056 10.403 9.326 1.00 0.00 C ATOM 991 NZ LYS A 68 -1.798 11.670 9.513 1.00 0.00 N ATOM 0 H LYS A 68 0.819 6.735 6.820 1.00 0.00 H new ATOM 0 HA LYS A 68 2.820 8.729 7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.667 7.813 9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.337 9.413 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.268 8.755 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.897 8.086 7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.079 10.974 7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.534 10.391 7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.671 9.563 9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.162 10.402 9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.057 11.776 10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.199 12.469 9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.661 11.656 8.932 1.00 0.00 H new ATOM 1000 N GLN A 69 3.348 5.814 8.359 1.00 0.00 N ATOM 1001 CA GLN A 69 4.192 4.910 9.123 1.00 0.00 C ATOM 1002 C GLN A 69 5.557 4.762 8.448 1.00 0.00 C ATOM 1003 O GLN A 69 6.592 4.872 9.103 1.00 0.00 O ATOM 1004 CB GLN A 69 3.517 3.549 9.300 1.00 0.00 C ATOM 1005 CG GLN A 69 3.486 3.141 10.774 1.00 0.00 C ATOM 1006 CD GLN A 69 2.607 4.091 11.589 1.00 0.00 C ATOM 1007 OE1 GLN A 69 2.344 5.219 11.203 1.00 0.00 O ATOM 1008 NE2 GLN A 69 2.169 3.576 12.734 1.00 0.00 N ATOM 0 H GLN A 69 2.950 5.412 7.510 1.00 0.00 H new ATOM 0 HA GLN A 69 4.343 5.335 10.115 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.501 3.589 8.909 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.052 2.796 8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.108 2.123 10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.499 3.142 11.176 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.427 2.625 12.997 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.575 4.132 13.349 1.00 0.00 H new ATOM 1090 N GLY A 75 11.229 6.381 5.086 1.00 0.00 N ATOM 1091 CA GLY A 75 11.139 5.815 3.750 1.00 0.00 C ATOM 1092 C GLY A 75 10.046 6.509 2.934 1.00 0.00 C ATOM 1093 O GLY A 75 9.815 7.706 3.092 1.00 0.00 O ATOM 0 HA2 GLY A 75 12.098 5.918 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.926 4.748 3.817 1.00 0.00 H new ATOM 1097 N GLU A 76 9.402 5.726 2.080 1.00 0.00 N ATOM 1098 CA GLU A 76 8.339 6.250 1.240 1.00 0.00 C ATOM 1099 C GLU A 76 7.228 5.211 1.080 1.00 0.00 C ATOM 1100 O GLU A 76 7.493 4.009 1.069 1.00 0.00 O ATOM 1101 CB GLU A 76 8.883 6.686 -0.122 1.00 0.00 C ATOM 1102 CG GLU A 76 10.352 7.096 -0.020 1.00 0.00 C ATOM 1103 CD GLU A 76 10.501 8.420 0.734 1.00 0.00 C ATOM 1104 OE1 GLU A 76 9.590 9.260 0.698 1.00 0.00 O ATOM 1105 OE2 GLU A 76 11.612 8.560 1.376 1.00 0.00 O ATOM 0 H GLU A 76 9.596 4.733 1.952 1.00 0.00 H new ATOM 0 HA GLU A 76 7.918 7.130 1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.778 5.870 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.294 7.521 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.916 6.316 0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.777 7.193 -1.019 1.00 0.00 H new ATOM 1111 N MET A 77 6.006 5.710 0.959 1.00 0.00 N ATOM 1112 CA MET A 77 4.854 4.840 0.801 1.00 0.00 C ATOM 1113 C MET A 77 4.377 4.822 -0.653 1.00 0.00 C ATOM 1114 O MET A 77 4.194 5.874 -1.264 1.00 0.00 O ATOM 1115 CB MET A 77 3.719 5.326 1.705 1.00 0.00 C ATOM 1116 CG MET A 77 2.670 4.231 1.903 1.00 0.00 C ATOM 1117 SD MET A 77 1.784 3.951 0.378 1.00 0.00 S ATOM 1118 CE MET A 77 0.217 3.394 1.028 1.00 0.00 C ATOM 0 H MET A 77 5.789 6.707 0.967 1.00 0.00 H new ATOM 0 HA MET A 77 5.145 3.828 1.081 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.123 5.627 2.672 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.252 6.207 1.266 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.152 3.309 2.228 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.974 4.521 2.690 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.169 2.587 0.406 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.354 3.033 2.047 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.492 4.222 1.028 1.00 0.00 H new ATOM 1126 N VAL A 78 4.190 3.615 -1.165 1.00 0.00 N ATOM 1127 CA VAL A 78 3.738 3.445 -2.536 1.00 0.00 C ATOM 1128 C VAL A 78 2.435 2.643 -2.543 1.00 0.00 C ATOM 1129 O VAL A 78 2.148 1.909 -1.598 1.00 0.00 O ATOM 1130 CB VAL A 78 4.842 2.800 -3.375 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.289 1.648 -4.217 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.538 3.839 -4.257 1.00 0.00 C ATOM 0 H VAL A 78 4.343 2.745 -0.655 1.00 0.00 H new ATOM 0 HA VAL A 78 3.526 4.413 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 78 5.585 2.389 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.095 1.207 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.861 0.890 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.517 2.025 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.319 3.354 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.809 4.293 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.983 4.611 -3.628 1.00 0.00 H new ATOM 1142 N VAL A 79 1.681 2.808 -3.621 1.00 0.00 N ATOM 1143 CA VAL A 79 0.416 2.108 -3.763 1.00 0.00 C ATOM 1144 C VAL A 79 -0.065 2.224 -5.210 1.00 0.00 C ATOM 1145 O VAL A 79 -0.249 3.329 -5.721 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.597 2.645 -2.751 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.039 4.063 -3.118 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.801 1.709 -2.629 1.00 0.00 C ATOM 0 H VAL A 79 1.922 3.416 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 79 0.540 1.047 -3.545 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.108 2.688 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.759 4.421 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.172 4.723 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.501 4.056 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.505 2.115 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.291 1.618 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.466 0.726 -2.299 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.258 1.069 -5.831 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.714 1.029 -7.210 1.00 0.00 C ATOM 1160 C CYS A 80 -1.935 0.109 -7.284 1.00 0.00 C ATOM 1161 O CYS A 80 -2.479 -0.291 -6.256 1.00 0.00 O ATOM 1162 CB CYS A 80 0.396 0.580 -8.161 1.00 0.00 C ATOM 1163 SG CYS A 80 0.489 -1.248 -8.198 1.00 0.00 S ATOM 0 H CYS A 80 -0.107 0.155 -5.405 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.994 2.032 -7.532 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.204 0.963 -9.163 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.351 0.994 -7.839 1.00 0.00 H new ATOM 0 HG CYS A 80 1.434 -1.618 -9.010 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.330 -0.200 -8.511 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.476 -1.065 -8.733 1.00 0.00 C ATOM 1170 C ALA A 81 -4.759 -0.301 -8.401 1.00 0.00 C ATOM 1171 O ALA A 81 -5.704 -0.872 -7.858 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.324 -2.338 -7.898 1.00 0.00 C ATOM 0 H ALA A 81 -1.876 0.134 -9.362 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.532 -1.365 -9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.184 -2.987 -8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.413 -2.860 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.267 -2.076 -6.842 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.751 0.980 -8.740 1.00 0.00 N ATOM 1179 CA ILE A 82 -5.902 1.829 -8.485 1.00 0.00 C ATOM 1180 C ILE A 82 -7.083 1.348 -9.330 1.00 0.00 C ATOM 1181 O ILE A 82 -6.953 0.396 -10.098 1.00 0.00 O ATOM 1182 CB ILE A 82 -5.544 3.300 -8.710 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.496 4.220 -7.941 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -5.505 3.632 -10.203 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.843 3.629 -6.574 1.00 0.00 C ATOM 0 H ILE A 82 -3.965 1.450 -9.189 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.205 1.755 -7.441 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.542 3.473 -8.316 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.036 5.200 -7.812 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.408 4.370 -8.519 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.248 4.683 -10.335 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.756 3.011 -10.694 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.483 3.439 -10.644 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.520 4.302 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.325 2.661 -6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.931 3.503 -5.990 1.00 0.00 H new ATOM 1196 N SER A 83 -8.207 2.028 -9.161 1.00 0.00 N ATOM 1197 CA SER A 83 -9.411 1.681 -9.899 1.00 0.00 C ATOM 1198 C SER A 83 -10.397 2.850 -9.868 1.00 0.00 C ATOM 1199 O SER A 83 -10.319 3.711 -8.993 1.00 0.00 O ATOM 1200 CB SER A 83 -10.063 0.421 -9.328 1.00 0.00 C ATOM 1201 OG SER A 83 -11.434 0.630 -9.000 1.00 0.00 O ATOM 0 H SER A 83 -8.310 2.818 -8.524 1.00 0.00 H new ATOM 0 HA SER A 83 -9.132 1.476 -10.933 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.983 -0.389 -10.053 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.521 0.105 -8.437 1.00 0.00 H new ATOM 0 HG SER A 83 -11.856 -0.230 -8.793 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.326 2.842 -10.861 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.328 3.891 -10.957 1.00 0.00 C ATOM 1208 C PRO A 84 -13.413 3.713 -9.893 1.00 0.00 C ATOM 1209 O PRO A 84 -14.368 4.486 -9.838 1.00 0.00 O ATOM 1210 CB PRO A 84 -12.866 3.794 -12.375 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.485 2.409 -12.871 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.450 1.839 -11.915 1.00 0.00 C ATOM 0 HA PRO A 84 -11.917 4.883 -10.768 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.947 3.932 -12.393 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.436 4.568 -13.010 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.363 1.764 -12.912 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.081 2.463 -13.882 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.770 0.878 -11.512 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.497 1.672 -12.417 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.230 2.687 -9.072 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.180 2.397 -8.014 1.00 0.00 C ATOM 1219 C ALA A 85 -13.420 2.100 -6.719 1.00 0.00 C ATOM 1220 O ALA A 85 -13.927 1.401 -5.844 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.081 1.237 -8.439 1.00 0.00 C ATOM 0 H ALA A 85 -12.437 2.047 -9.120 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.823 3.258 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -15.794 1.020 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.621 1.509 -9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.471 0.354 -8.631 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.216 2.647 -6.639 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.381 2.449 -5.466 1.00 0.00 C ATOM 1229 C VAL A 86 -10.773 3.790 -5.047 1.00 0.00 C ATOM 1230 O VAL A 86 -10.651 4.075 -3.857 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.328 1.376 -5.748 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.172 1.467 -4.750 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -10.951 -0.020 -5.741 1.00 0.00 C ATOM 0 H VAL A 86 -11.799 3.227 -7.367 1.00 0.00 H new ATOM 0 HA VAL A 86 -11.977 2.086 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.925 1.556 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.437 0.693 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.701 2.447 -4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.553 1.326 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.180 -0.763 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.395 -0.215 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.722 -0.078 -6.509 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.406 4.575 -6.048 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.812 5.878 -5.798 1.00 0.00 C ATOM 1245 C LYS A 87 -10.900 6.847 -5.330 1.00 0.00 C ATOM 1246 O LYS A 87 -10.600 7.952 -4.881 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.047 6.363 -7.031 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.987 6.549 -8.223 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.208 6.560 -9.540 1.00 0.00 C ATOM 1250 CE LYS A 87 -10.033 7.197 -10.660 1.00 0.00 C ATOM 1251 NZ LYS A 87 -9.370 8.424 -11.158 1.00 0.00 N ATOM 0 H LYS A 87 -10.508 4.335 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.074 5.814 -4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.549 7.306 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.269 5.644 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.723 5.745 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.537 7.484 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.277 7.111 -9.411 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.939 5.540 -9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.158 6.487 -11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.030 7.439 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.943 8.844 -11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.273 9.107 -10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.428 8.184 -11.527 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.141 6.397 -5.449 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.274 7.210 -5.043 1.00 0.00 C ATOM 1262 C ARG A 88 -13.270 7.405 -3.525 1.00 0.00 C ATOM 1263 O ARG A 88 -13.738 8.428 -3.027 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.595 6.564 -5.463 1.00 0.00 C ATOM 1265 CG ARG A 88 -15.069 5.554 -4.416 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.290 4.242 -4.526 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.216 3.092 -4.420 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.279 2.899 -5.230 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.559 3.779 -6.215 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -17.040 1.837 -5.045 1.00 0.00 N ATOM 0 H ARG A 88 -12.386 5.479 -5.821 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.182 8.177 -5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.354 7.335 -5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.471 6.065 -6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.942 5.973 -3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.134 5.361 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.758 4.204 -5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.539 4.188 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.040 2.402 -3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.966 4.597 -6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.364 3.626 -6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.821 1.177 -4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.847 1.676 -5.648 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.738 6.409 -2.833 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.667 6.459 -1.383 1.00 0.00 C ATOM 1282 C LEU A 89 -11.689 7.558 -0.962 1.00 0.00 C ATOM 1283 O LEU A 89 -11.936 8.275 0.006 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.324 5.080 -0.816 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.467 4.338 -0.120 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -13.126 2.858 0.066 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.835 5.012 1.202 1.00 0.00 C ATOM 0 H LEU A 89 -12.352 5.562 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.639 6.719 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.955 4.456 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.506 5.195 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.347 4.388 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.955 2.353 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.953 2.399 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.227 2.766 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.650 4.464 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.968 5.015 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.150 6.038 1.012 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.599 7.654 -1.709 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.584 8.654 -1.426 1.00 0.00 C ATOM 1300 C PHE A 90 -9.959 10.006 -2.034 1.00 0.00 C ATOM 1301 O PHE A 90 -9.496 11.048 -1.574 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.283 8.164 -2.065 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.777 6.832 -1.506 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -7.016 6.814 -0.378 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -8.088 5.668 -2.134 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -6.546 5.580 0.142 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -7.618 4.433 -1.614 1.00 0.00 C ATOM 1308 CZ PHE A 90 -6.857 4.415 -0.487 1.00 0.00 C ATOM 0 H PHE A 90 -10.397 7.056 -2.510 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.484 8.787 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.434 8.061 -3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.513 8.922 -1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.770 7.739 0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.693 5.682 -3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.942 5.566 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.865 3.508 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.500 3.476 -0.092 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.796 9.945 -3.059 1.00 0.00 N ATOM 1318 CA ASP A 91 -11.240 11.153 -3.735 1.00 0.00 C ATOM 1319 C ASP A 91 -12.064 12.002 -2.766 1.00 0.00 C ATOM 1320 O ASP A 91 -12.000 13.230 -2.803 1.00 0.00 O ATOM 1321 CB ASP A 91 -12.125 10.816 -4.938 1.00 0.00 C ATOM 1322 CG ASP A 91 -11.661 11.413 -6.268 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -10.820 10.831 -6.971 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -12.207 12.538 -6.581 1.00 0.00 O ATOM 0 H ASP A 91 -11.178 9.079 -3.438 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.357 11.693 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.175 9.732 -5.041 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -13.138 11.164 -4.734 1.00 0.00 H new ATOM 1329 N MET A 92 -12.817 11.315 -1.919 1.00 0.00 N ATOM 1330 CA MET A 92 -13.652 11.991 -0.942 1.00 0.00 C ATOM 1331 C MET A 92 -12.887 12.229 0.362 1.00 0.00 C ATOM 1332 O MET A 92 -13.258 13.092 1.155 1.00 0.00 O ATOM 1333 CB MET A 92 -14.893 11.144 -0.657 1.00 0.00 C ATOM 1334 CG MET A 92 -15.901 11.917 0.196 1.00 0.00 C ATOM 1335 SD MET A 92 -17.522 11.187 0.038 1.00 0.00 S ATOM 1336 CE MET A 92 -17.429 9.945 1.317 1.00 0.00 C ATOM 0 H MET A 92 -12.866 10.297 -1.890 1.00 0.00 H new ATOM 0 HA MET A 92 -13.947 12.957 -1.351 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.359 10.847 -1.597 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.602 10.228 -0.142 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.589 11.907 1.240 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.931 12.960 -0.118 1.00 0.00 H new ATOM 0 HE1 MET A 92 -18.367 9.391 1.355 1.00 0.00 H new ATOM 0 HE2 MET A 92 -16.611 9.258 1.099 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.252 10.426 2.279 1.00 0.00 H new ATOM 1344 N SER A 93 -11.830 11.450 0.541 1.00 0.00 N ATOM 1345 CA SER A 93 -11.009 11.565 1.734 1.00 0.00 C ATOM 1346 C SER A 93 -10.291 12.916 1.746 1.00 0.00 C ATOM 1347 O SER A 93 -10.139 13.532 2.800 1.00 0.00 O ATOM 1348 CB SER A 93 -9.994 10.423 1.816 1.00 0.00 C ATOM 1349 OG SER A 93 -9.212 10.490 3.006 1.00 0.00 O ATOM 0 H SER A 93 -11.523 10.737 -0.121 1.00 0.00 H new ATOM 0 HA SER A 93 -11.660 11.499 2.606 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.518 9.468 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.337 10.459 0.947 1.00 0.00 H new ATOM 0 HG SER A 93 -8.577 9.744 3.023 1.00 0.00 H new ATOM 1354 N GLY A 94 -9.868 13.336 0.563 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.169 14.602 0.424 1.00 0.00 C ATOM 1356 C GLY A 94 -7.734 14.496 0.943 1.00 0.00 C ATOM 1357 O GLY A 94 -7.017 15.493 1.002 1.00 0.00 O ATOM 0 H GLY A 94 -9.996 12.822 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.159 14.903 -0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.702 15.378 0.974 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.360 13.279 1.309 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.023 13.031 1.822 1.00 0.00 C ATOM 1363 C LEU A 95 -5.267 12.127 0.845 1.00 0.00 C ATOM 1364 O LEU A 95 -4.191 11.624 1.166 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.091 12.476 3.247 1.00 0.00 C ATOM 1366 CG LEU A 95 -4.865 12.736 4.126 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -4.147 14.017 3.699 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -5.249 12.761 5.607 1.00 0.00 C ATOM 0 H LEU A 95 -7.959 12.455 1.261 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.463 13.963 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.965 12.902 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.251 11.399 3.189 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.164 11.913 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.280 14.179 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.821 13.923 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.828 14.863 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.360 12.947 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.978 13.553 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.683 11.801 5.887 1.00 0.00 H new ATOM 1379 N PHE A 96 -5.859 11.950 -0.326 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.254 11.116 -1.352 1.00 0.00 C ATOM 1381 C PHE A 96 -3.775 11.458 -1.534 1.00 0.00 C ATOM 1382 O PHE A 96 -2.956 10.573 -1.783 1.00 0.00 O ATOM 1383 CB PHE A 96 -5.997 11.404 -2.658 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.342 10.153 -3.467 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.639 9.004 -3.276 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.353 10.188 -4.377 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.960 7.843 -4.027 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.673 9.027 -5.128 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.970 7.879 -4.937 1.00 0.00 C ATOM 0 H PHE A 96 -6.751 12.369 -0.588 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.324 10.066 -1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.917 11.941 -2.429 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.386 12.065 -3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.837 8.975 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.912 11.100 -4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.402 6.931 -3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.475 9.055 -5.851 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.214 6.995 -5.508 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.476 12.742 -1.402 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.108 13.211 -1.550 1.00 0.00 C ATOM 1400 C LYS A 97 -1.225 12.532 -0.501 1.00 0.00 C ATOM 1401 O LYS A 97 -0.011 12.441 -0.672 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.058 14.739 -1.500 1.00 0.00 C ATOM 1403 CG LYS A 97 -2.972 15.353 -2.562 1.00 0.00 C ATOM 1404 CD LYS A 97 -2.404 15.135 -3.966 1.00 0.00 C ATOM 1405 CE LYS A 97 -3.424 14.441 -4.869 1.00 0.00 C ATOM 1406 NZ LYS A 97 -4.488 15.387 -5.274 1.00 0.00 N ATOM 0 H LYS A 97 -4.157 13.472 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.713 12.934 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.361 15.084 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.034 15.078 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.965 14.908 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.088 16.420 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.122 16.094 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.497 14.533 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.925 14.045 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.864 13.592 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.172 14.899 -5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.975 15.745 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.066 16.183 -5.793 1.00 0.00 H new ATOM 1415 N ILE A 98 -1.870 12.072 0.561 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.157 11.403 1.637 1.00 0.00 C ATOM 1417 C ILE A 98 -0.890 9.950 1.239 1.00 0.00 C ATOM 1418 O ILE A 98 0.104 9.361 1.662 1.00 0.00 O ATOM 1419 CB ILE A 98 -1.920 11.549 2.955 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.007 12.084 4.061 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -2.589 10.231 3.352 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -0.377 10.937 4.854 1.00 0.00 C ATOM 0 H ILE A 98 -2.878 12.149 0.700 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.187 11.872 1.802 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.714 12.282 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.223 12.702 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.580 12.724 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.124 10.363 4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.291 9.930 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.829 9.459 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.267 11.344 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.163 10.335 5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 98 0.215 10.313 4.184 1.00 0.00 H new ATOM 1433 N ILE A 99 -1.793 9.414 0.433 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.666 8.041 -0.026 1.00 0.00 C ATOM 1435 C ILE A 99 -0.944 8.024 -1.375 1.00 0.00 C ATOM 1436 O ILE A 99 -0.496 6.973 -1.830 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.034 7.357 -0.052 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.427 6.864 1.341 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.064 6.230 -1.088 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -4.328 7.878 2.048 1.00 0.00 C ATOM 0 H ILE A 99 -2.616 9.905 0.085 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.058 7.461 0.669 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.778 8.094 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.944 5.908 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.530 6.692 1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.048 5.760 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.859 6.640 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.306 5.487 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.593 7.503 3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.799 8.826 2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.235 8.029 1.463 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.853 9.200 -1.977 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.192 9.333 -3.264 1.00 0.00 C ATOM 1453 C ARG A 100 -0.322 8.036 -4.064 1.00 0.00 C ATOM 1454 O ARG A 100 0.549 7.170 -3.996 1.00 0.00 O ATOM 1455 CB ARG A 100 1.290 9.671 -3.091 1.00 0.00 C ATOM 1456 CG ARG A 100 1.825 10.434 -4.304 1.00 0.00 C ATOM 1457 CD ARG A 100 1.361 9.783 -5.608 1.00 0.00 C ATOM 1458 NE ARG A 100 2.181 10.275 -6.739 1.00 0.00 N ATOM 1459 CZ ARG A 100 1.803 10.208 -8.034 1.00 0.00 C ATOM 1460 NH1 ARG A 100 0.613 9.668 -8.372 1.00 0.00 N ATOM 1461 NH2 ARG A 100 2.615 10.677 -8.962 1.00 0.00 N ATOM 0 H ARG A 100 -1.226 10.070 -1.597 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.677 10.147 -3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.427 10.270 -2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.862 8.753 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.483 11.468 -4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.914 10.457 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.444 8.699 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.310 10.011 -5.784 1.00 0.00 H new ATOM 0 HE ARG A 100 3.088 10.690 -6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.008 9.307 -7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.334 9.621 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.513 11.082 -8.697 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.345 10.634 -9.945 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.417 7.941 -4.804 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.673 6.764 -5.616 1.00 0.00 C ATOM 1473 C PHE A 101 -1.386 7.043 -7.092 1.00 0.00 C ATOM 1474 O PHE A 101 -1.215 8.196 -7.489 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.155 6.421 -5.453 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.437 4.923 -5.322 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.401 4.126 -6.424 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.723 4.389 -4.106 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.662 2.735 -6.304 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.984 2.998 -3.984 1.00 0.00 C ATOM 1481 CZ PHE A 101 -3.948 2.201 -5.086 1.00 0.00 C ATOM 0 H PHE A 101 -2.138 8.661 -4.858 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.028 5.945 -5.297 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.540 6.931 -4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.704 6.810 -6.311 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.174 4.551 -7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.752 5.022 -3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.633 2.102 -7.179 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.211 2.573 -3.017 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.147 1.143 -4.994 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.340 5.969 -7.867 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.077 6.084 -9.292 1.00 0.00 C ATOM 1492 C GLU A 102 -1.961 5.112 -10.076 1.00 0.00 C ATOM 1493 O GLU A 102 -3.084 4.821 -9.667 1.00 0.00 O ATOM 1494 CB GLU A 102 0.404 5.847 -9.596 1.00 0.00 C ATOM 1495 CG GLU A 102 0.932 6.881 -10.592 1.00 0.00 C ATOM 1496 CD GLU A 102 -0.112 7.188 -11.668 1.00 0.00 C ATOM 1497 OE1 GLU A 102 -0.305 6.386 -12.593 1.00 0.00 O ATOM 1498 OE2 GLU A 102 -0.736 8.308 -11.518 1.00 0.00 O ATOM 0 H GLU A 102 -1.480 5.015 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.321 7.099 -9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.981 5.899 -8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.540 4.844 -10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.196 7.798 -10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.843 6.508 -11.060 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.420 4.637 -11.188 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.146 3.702 -12.032 1.00 0.00 C ATOM 1506 C GLN A 103 -1.168 2.797 -12.784 1.00 0.00 C ATOM 1507 O GLN A 103 -0.671 3.163 -13.848 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.065 4.444 -13.004 1.00 0.00 C ATOM 1509 CG GLN A 103 -3.671 5.686 -12.348 1.00 0.00 C ATOM 1510 CD GLN A 103 -4.506 6.484 -13.352 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -4.118 6.700 -14.488 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -5.669 6.910 -12.868 1.00 0.00 N ATOM 0 H GLN A 103 -0.489 4.881 -11.524 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.772 3.077 -11.396 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.502 4.735 -13.891 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.862 3.779 -13.336 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.295 5.389 -11.505 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.876 6.316 -11.949 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -5.932 6.693 -11.907 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -6.299 7.454 -13.458 1.00 0.00 H new ATOM 1519 N SER A 104 -0.921 1.633 -12.200 1.00 0.00 N ATOM 1520 CA SER A 104 -0.012 0.673 -12.802 1.00 0.00 C ATOM 1521 C SER A 104 1.303 1.359 -13.174 1.00 0.00 C ATOM 1522 O SER A 104 2.359 1.016 -12.643 1.00 0.00 O ATOM 1523 CB SER A 104 -0.638 0.020 -14.037 1.00 0.00 C ATOM 1524 OG SER A 104 0.300 -0.780 -14.751 1.00 0.00 O ATOM 0 H SER A 104 -1.334 1.334 -11.317 1.00 0.00 H new ATOM 0 HA SER A 104 0.189 -0.111 -12.072 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.483 -0.597 -13.732 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.031 0.794 -14.697 1.00 0.00 H new ATOM 0 HG SER A 104 -0.138 -1.180 -15.531 1.00 0.00 H new ATOM 1529 N GLU A 105 1.198 2.316 -14.084 1.00 0.00 N ATOM 1530 CA GLU A 105 2.367 3.054 -14.533 1.00 0.00 C ATOM 1531 C GLU A 105 3.336 3.272 -13.369 1.00 0.00 C ATOM 1532 O GLU A 105 4.548 3.340 -13.571 1.00 0.00 O ATOM 1533 CB GLU A 105 1.963 4.387 -15.168 1.00 0.00 C ATOM 1534 CG GLU A 105 3.192 5.156 -15.654 1.00 0.00 C ATOM 1535 CD GLU A 105 2.960 5.735 -17.051 1.00 0.00 C ATOM 1536 OE1 GLU A 105 3.476 5.193 -18.041 1.00 0.00 O ATOM 1537 OE2 GLU A 105 2.213 6.786 -17.088 1.00 0.00 O ATOM 0 H GLU A 105 0.321 2.598 -14.523 1.00 0.00 H new ATOM 0 HA GLU A 105 2.874 2.464 -15.297 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.288 4.206 -16.005 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.416 4.989 -14.442 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.421 5.961 -14.956 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.057 4.493 -15.670 1.00 0.00 H new ATOM 1543 N GLN A 106 2.765 3.378 -12.178 1.00 0.00 N ATOM 1544 CA GLN A 106 3.564 3.587 -10.983 1.00 0.00 C ATOM 1545 C GLN A 106 4.515 2.408 -10.766 1.00 0.00 C ATOM 1546 O GLN A 106 5.410 2.474 -9.924 1.00 0.00 O ATOM 1547 CB GLN A 106 2.672 3.804 -9.759 1.00 0.00 C ATOM 1548 CG GLN A 106 3.359 3.308 -8.485 1.00 0.00 C ATOM 1549 CD GLN A 106 2.673 3.869 -7.237 1.00 0.00 C ATOM 1550 OE1 GLN A 106 2.034 3.161 -6.477 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.840 5.179 -7.071 1.00 0.00 N ATOM 0 H GLN A 106 1.760 3.323 -12.015 1.00 0.00 H new ATOM 0 HA GLN A 106 4.161 4.488 -11.122 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.436 4.863 -9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.727 3.278 -9.895 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.338 2.219 -8.457 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.407 3.607 -8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.388 5.713 -7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.420 5.649 -6.269 1.00 0.00 H new ATOM 1558 N GLN A 107 4.290 1.357 -11.540 1.00 0.00 N ATOM 1559 CA GLN A 107 5.116 0.165 -11.443 1.00 0.00 C ATOM 1560 C GLN A 107 6.557 0.545 -11.099 1.00 0.00 C ATOM 1561 O GLN A 107 7.257 -0.209 -10.426 1.00 0.00 O ATOM 1562 CB GLN A 107 5.057 -0.648 -12.737 1.00 0.00 C ATOM 1563 CG GLN A 107 6.237 -1.617 -12.830 1.00 0.00 C ATOM 1564 CD GLN A 107 6.025 -2.635 -13.952 1.00 0.00 C ATOM 1565 OE1 GLN A 107 5.585 -3.753 -13.737 1.00 0.00 O ATOM 1566 NE2 GLN A 107 6.361 -2.188 -15.159 1.00 0.00 N ATOM 0 H GLN A 107 3.547 1.306 -12.237 1.00 0.00 H new ATOM 0 HA GLN A 107 4.725 -0.461 -10.641 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.121 -1.205 -12.779 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.066 0.025 -13.594 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.156 -1.060 -13.009 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.360 -2.138 -11.880 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.723 -1.241 -15.269 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.256 -2.792 -15.974 1.00 0.00 H new ATOM 1573 N ALA A 108 6.958 1.714 -11.577 1.00 0.00 N ATOM 1574 CA ALA A 108 8.304 2.203 -11.328 1.00 0.00 C ATOM 1575 C ALA A 108 8.330 2.953 -9.995 1.00 0.00 C ATOM 1576 O ALA A 108 9.116 2.621 -9.108 1.00 0.00 O ATOM 1577 CB ALA A 108 8.754 3.079 -12.500 1.00 0.00 C ATOM 0 H ALA A 108 6.375 2.337 -12.135 1.00 0.00 H new ATOM 0 HA ALA A 108 9.007 1.373 -11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.763 3.446 -12.314 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.745 2.491 -13.418 1.00 0.00 H new ATOM 0 HB3 ALA A 108 8.074 3.925 -12.604 1.00 0.00 H new ATOM 1583 N LEU A 109 7.463 3.950 -9.896 1.00 0.00 N ATOM 1584 CA LEU A 109 7.378 4.749 -8.685 1.00 0.00 C ATOM 1585 C LEU A 109 6.951 3.857 -7.519 1.00 0.00 C ATOM 1586 O LEU A 109 7.111 4.229 -6.357 1.00 0.00 O ATOM 1587 CB LEU A 109 6.462 5.956 -8.904 1.00 0.00 C ATOM 1588 CG LEU A 109 7.142 7.326 -8.878 1.00 0.00 C ATOM 1589 CD1 LEU A 109 7.268 7.849 -7.447 1.00 0.00 C ATOM 1590 CD2 LEU A 109 8.493 7.282 -9.596 1.00 0.00 C ATOM 0 H LEU A 109 6.814 4.223 -10.634 1.00 0.00 H new ATOM 0 HA LEU A 109 8.355 5.160 -8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.962 5.838 -9.866 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.687 5.943 -8.138 1.00 0.00 H new ATOM 0 HG LEU A 109 6.512 8.030 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.755 8.824 -7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.276 7.943 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.863 7.153 -6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.955 8.269 -9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.144 6.560 -9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.344 6.986 -10.634 1.00 0.00 H new ATOM 1601 N LEU A 110 6.418 2.696 -7.868 1.00 0.00 N ATOM 1602 CA LEU A 110 5.967 1.747 -6.863 1.00 0.00 C ATOM 1603 C LEU A 110 7.132 1.403 -5.934 1.00 0.00 C ATOM 1604 O LEU A 110 6.953 1.291 -4.723 1.00 0.00 O ATOM 1605 CB LEU A 110 5.329 0.526 -7.528 1.00 0.00 C ATOM 1606 CG LEU A 110 4.522 -0.393 -6.608 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.135 0.188 -6.332 1.00 0.00 C ATOM 1608 CD2 LEU A 110 4.446 -1.811 -7.180 1.00 0.00 C ATOM 0 H LEU A 110 6.288 2.390 -8.832 1.00 0.00 H new ATOM 0 HA LEU A 110 5.186 2.189 -6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.674 0.873 -8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.118 -0.063 -7.995 1.00 0.00 H new ATOM 0 HG LEU A 110 5.040 -0.458 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.583 -0.485 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.237 1.161 -5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.595 0.303 -7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.867 -2.444 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.964 -1.784 -8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.453 -2.216 -7.283 1.00 0.00 H new ATOM 1619 N THR A 111 8.301 1.243 -6.538 1.00 0.00 N ATOM 1620 CA THR A 111 9.496 0.914 -5.778 1.00 0.00 C ATOM 1621 C THR A 111 9.742 1.959 -4.689 1.00 0.00 C ATOM 1622 O THR A 111 10.636 1.799 -3.860 1.00 0.00 O ATOM 1623 CB THR A 111 10.659 0.777 -6.764 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.995 -0.606 -6.714 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.924 1.486 -6.277 1.00 0.00 C ATOM 0 H THR A 111 8.446 1.335 -7.543 1.00 0.00 H new ATOM 0 HA THR A 111 9.382 -0.034 -5.252 1.00 0.00 H new ATOM 0 HB THR A 111 10.365 1.183 -7.732 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.740 -0.784 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.719 1.358 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.718 2.548 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.238 1.057 -5.325 1.00 0.00 H new ATOM 1633 N LEU A 112 8.932 3.008 -4.727 1.00 0.00 N ATOM 1634 CA LEU A 112 9.050 4.081 -3.753 1.00 0.00 C ATOM 1635 C LEU A 112 9.659 5.311 -4.429 1.00 0.00 C ATOM 1636 O LEU A 112 10.213 6.181 -3.758 1.00 0.00 O ATOM 1637 CB LEU A 112 9.829 3.605 -2.525 1.00 0.00 C ATOM 1638 CG LEU A 112 11.349 3.761 -2.593 1.00 0.00 C ATOM 1639 CD1 LEU A 112 11.815 3.976 -4.034 1.00 0.00 C ATOM 1640 CD2 LEU A 112 11.828 4.878 -1.663 1.00 0.00 C ATOM 0 H LEU A 112 8.192 3.138 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 112 8.066 4.373 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.466 4.152 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 112 9.599 2.553 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 112 11.803 2.834 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.899 4.084 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.525 3.119 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.353 4.878 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.912 4.968 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.367 5.820 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.547 4.643 -0.637 1.00 0.00 H new ATOM 1651 N GLY A 113 9.534 5.346 -5.746 1.00 0.00 N ATOM 1652 CA GLY A 113 10.064 6.456 -6.520 1.00 0.00 C ATOM 1653 C GLY A 113 11.477 6.821 -6.057 1.00 0.00 C ATOM 1654 O GLY A 113 11.767 7.989 -5.802 1.00 0.00 O ATOM 0 H GLY A 113 9.073 4.623 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.081 6.192 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.409 7.321 -6.418 1.00 0.00 H new ATOM 1658 N VAL A 114 12.316 5.801 -5.962 1.00 0.00 N ATOM 1659 CA VAL A 114 13.691 5.999 -5.535 1.00 0.00 C ATOM 1660 C VAL A 114 14.420 4.654 -5.538 1.00 0.00 C ATOM 1661 O VAL A 114 14.689 4.089 -4.479 1.00 0.00 O ATOM 1662 CB VAL A 114 13.719 6.693 -4.172 1.00 0.00 C ATOM 1663 CG1 VAL A 114 14.897 6.198 -3.330 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.760 8.214 -4.331 1.00 0.00 C ATOM 0 H VAL A 114 12.070 4.834 -6.173 1.00 0.00 H new ATOM 0 HA VAL A 114 14.217 6.654 -6.229 1.00 0.00 H new ATOM 0 HB VAL A 114 12.799 6.436 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 114 14.894 6.707 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 114 14.806 5.123 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.831 6.411 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.779 8.682 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.654 8.498 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.876 8.547 -4.874 1.00 0.00 H new ATOM 1674 N ALA A 115 14.719 4.181 -6.739 1.00 0.00 N ATOM 1675 CA ALA A 115 15.413 2.914 -6.893 1.00 0.00 C ATOM 1676 C ALA A 115 15.185 2.381 -8.308 1.00 0.00 C ATOM 1677 O ALA A 115 14.140 1.798 -8.595 1.00 0.00 O ATOM 1678 CB ALA A 115 14.934 1.936 -5.817 1.00 0.00 C ATOM 0 H ALA A 115 14.493 4.653 -7.615 1.00 0.00 H new ATOM 0 HA ALA A 115 16.487 3.046 -6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.454 0.985 -5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.145 2.348 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.861 1.777 -5.921 1.00 0.00 H new