USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 MET CE :methyl -154:sc= -0.0715 (180deg=-0.771) USER MOD Set 1.2: A 67 GLN : amide:sc= -6.48! C(o=-11!,f=-15!) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -4.3! C(o=-11!,f=-24!) USER MOD Set 2.1: A 12 HIS :FLIP no HD1:sc= -1.48 F(o=-13,f=-9.1) USER MOD Set 2.2: A 37 MET CE :methyl -138:sc= -7.57! (180deg=-4.75!) USER MOD Set 3.1: A 5 TYR OH : rot -30:sc= -1.8 USER MOD Set 3.2: A 54 LYS NZ :NH3+ -133:sc= -0.0879 (180deg=-1.85!) USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.0441) USER MOD Single : A 1 MET N :NH3+ 143:sc= -3.99! (180deg=-6.8!) USER MOD Single : A 3 LYS NZ :NH3+ -124:sc= 0.0537 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 9 SER OG : rot 57:sc= 1.14 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -178:sc= 0.0084 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 86:sc= 1.61 USER MOD Single : A 19 ASN : amide:sc= -0.469 K(o=-0.47,f=-2.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 77:sc= 1.01 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= -1.19 (180deg=-1.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.04 K(o=-1,f=-2.8!) USER MOD Single : A 35 ASN : amide:sc= -0.354 K(o=-0.35,f=-4.4!) USER MOD Single : A 40 LYS NZ :NH3+ 135:sc= -0.61 (180deg=-2.62!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 79:sc= 0.2 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 60 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.39) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 67:sc= 1.28 USER MOD Single : A 81 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.3) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 164:sc=-0.00907 (180deg=-0.165) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.305 -1.845 12.362 1.00 0.00 N ATOM 2 CA MET A 1 3.226 -2.353 11.472 1.00 0.00 C ATOM 3 C MET A 1 3.235 -1.652 10.120 1.00 0.00 C ATOM 4 O MET A 1 3.061 -0.437 10.040 1.00 0.00 O ATOM 5 CB MET A 1 1.898 -2.129 12.189 1.00 0.00 C ATOM 6 CG MET A 1 0.652 -2.419 11.374 1.00 0.00 C ATOM 7 SD MET A 1 -0.208 -3.900 11.942 1.00 0.00 S ATOM 8 CE MET A 1 -1.559 -3.173 12.865 1.00 0.00 C ATOM 0 H1 MET A 1 3.959 -1.810 13.342 1.00 0.00 H new ATOM 0 H2 MET A 1 5.127 -2.480 12.308 1.00 0.00 H new ATOM 0 H3 MET A 1 4.584 -0.890 12.059 1.00 0.00 H new ATOM 0 HA MET A 1 3.382 -3.413 11.271 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.879 -2.753 13.082 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.857 -1.092 12.524 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.023 -1.565 11.430 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.926 -2.540 10.326 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.033 -3.938 13.479 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.176 -2.379 13.506 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.291 -2.758 12.172 1.00 0.00 H new ATOM 20 N PHE A 2 3.435 -2.424 9.057 1.00 0.00 N ATOM 21 CA PHE A 2 3.463 -1.866 7.714 1.00 0.00 C ATOM 22 C PHE A 2 2.150 -1.167 7.405 1.00 0.00 C ATOM 23 O PHE A 2 1.164 -1.326 8.126 1.00 0.00 O ATOM 24 CB PHE A 2 3.743 -2.956 6.678 1.00 0.00 C ATOM 25 CG PHE A 2 5.161 -3.448 6.694 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.572 -4.380 7.629 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.080 -2.980 5.770 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.873 -4.838 7.645 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.384 -3.436 5.780 1.00 0.00 C ATOM 30 CZ PHE A 2 7.780 -4.368 6.719 1.00 0.00 C ATOM 0 H PHE A 2 3.579 -3.433 9.101 1.00 0.00 H new ATOM 0 HA PHE A 2 4.269 -1.134 7.665 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.073 -3.797 6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.512 -2.570 5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.866 -4.754 8.356 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.774 -2.251 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.181 -5.564 8.382 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.093 -3.064 5.055 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.798 -4.728 6.728 1.00 0.00 H new ATOM 40 N LYS A 3 2.143 -0.382 6.339 1.00 0.00 N ATOM 41 CA LYS A 3 0.954 0.354 5.950 1.00 0.00 C ATOM 42 C LYS A 3 0.789 0.364 4.440 1.00 0.00 C ATOM 43 O LYS A 3 1.632 0.897 3.724 1.00 0.00 O ATOM 44 CB LYS A 3 1.048 1.788 6.464 1.00 0.00 C ATOM 45 CG LYS A 3 0.477 1.979 7.858 1.00 0.00 C ATOM 46 CD LYS A 3 1.540 1.760 8.924 1.00 0.00 C ATOM 47 CE LYS A 3 1.539 2.879 9.953 1.00 0.00 C ATOM 48 NZ LYS A 3 2.378 2.546 11.136 1.00 0.00 N ATOM 0 H LYS A 3 2.948 -0.239 5.729 1.00 0.00 H new ATOM 0 HA LYS A 3 0.086 -0.139 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.094 2.096 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.522 2.447 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.067 2.985 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.347 1.283 8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.365 0.806 9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.521 1.699 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.908 3.796 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.516 3.074 10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.804 2.618 12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.742 1.576 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.176 3.211 11.194 1.00 0.00 H new ATOM 62 N VAL A 4 -0.301 -0.220 3.955 1.00 0.00 N ATOM 63 CA VAL A 4 -0.556 -0.253 2.521 1.00 0.00 C ATOM 64 C VAL A 4 -1.686 0.694 2.133 1.00 0.00 C ATOM 65 O VAL A 4 -2.638 0.893 2.886 1.00 0.00 O ATOM 66 CB VAL A 4 -0.901 -1.671 2.015 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.487 -1.611 0.611 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.327 -2.560 2.022 1.00 0.00 C ATOM 0 H VAL A 4 -1.015 -0.672 4.527 1.00 0.00 H new ATOM 0 HA VAL A 4 0.372 0.069 2.048 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.644 -2.096 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.724 -2.620 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.396 -1.009 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.762 -1.161 -0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.059 -3.553 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.090 -2.132 1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.716 -2.635 3.037 1.00 0.00 H new ATOM 78 N TYR A 5 -1.571 1.248 0.934 1.00 0.00 N ATOM 79 CA TYR A 5 -2.574 2.152 0.397 1.00 0.00 C ATOM 80 C TYR A 5 -2.961 1.699 -1.002 1.00 0.00 C ATOM 81 O TYR A 5 -2.228 1.935 -1.961 1.00 0.00 O ATOM 82 CB TYR A 5 -2.045 3.585 0.343 1.00 0.00 C ATOM 83 CG TYR A 5 -1.833 4.217 1.699 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.857 3.742 2.564 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.597 5.304 2.103 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.649 4.332 3.797 1.00 0.00 C ATOM 87 CE2 TYR A 5 -2.398 5.897 3.335 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.423 5.408 4.177 1.00 0.00 C ATOM 89 OH TYR A 5 -1.222 5.997 5.404 1.00 0.00 O ATOM 0 H TYR A 5 -0.782 1.083 0.309 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.446 2.132 1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.100 3.592 -0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.744 4.198 -0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.251 2.898 2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.359 5.692 1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.115 3.952 4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.003 6.739 3.636 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.898 5.326 6.040 1.00 0.00 H new ATOM 99 N GLY A 6 -4.100 1.032 -1.113 1.00 0.00 N ATOM 100 CA GLY A 6 -4.546 0.547 -2.400 1.00 0.00 C ATOM 101 C GLY A 6 -6.022 0.219 -2.406 1.00 0.00 C ATOM 102 O GLY A 6 -6.832 0.961 -1.852 1.00 0.00 O ATOM 0 H GLY A 6 -4.723 0.818 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.340 1.299 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.977 -0.343 -2.668 1.00 0.00 H new ATOM 106 N TYR A 7 -6.373 -0.888 -3.044 1.00 0.00 N ATOM 107 CA TYR A 7 -7.754 -1.308 -3.135 1.00 0.00 C ATOM 108 C TYR A 7 -7.963 -2.636 -2.412 1.00 0.00 C ATOM 109 O TYR A 7 -7.011 -3.379 -2.179 1.00 0.00 O ATOM 110 CB TYR A 7 -8.134 -1.402 -4.602 1.00 0.00 C ATOM 111 CG TYR A 7 -7.815 -0.122 -5.327 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.500 0.202 -5.625 1.00 0.00 C ATOM 113 CD2 TYR A 7 -8.811 0.789 -5.664 1.00 0.00 C ATOM 114 CE1 TYR A 7 -6.179 1.393 -6.236 1.00 0.00 C ATOM 115 CE2 TYR A 7 -8.493 1.978 -6.281 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.178 2.280 -6.560 1.00 0.00 C ATOM 117 OH TYR A 7 -6.861 3.472 -7.173 1.00 0.00 O ATOM 0 H TYR A 7 -5.712 -1.512 -3.507 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.400 -0.578 -2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.599 -2.230 -5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.198 -1.619 -4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.713 -0.493 -5.373 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.843 0.562 -5.440 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.149 1.629 -6.459 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.275 2.674 -6.546 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.680 3.984 -7.336 1.00 0.00 H new ATOM 127 N ASP A 8 -9.205 -2.922 -2.034 1.00 0.00 N ATOM 128 CA ASP A 8 -9.514 -4.155 -1.317 1.00 0.00 C ATOM 129 C ASP A 8 -9.475 -5.365 -2.245 1.00 0.00 C ATOM 130 O ASP A 8 -8.586 -6.211 -2.138 1.00 0.00 O ATOM 131 CB ASP A 8 -10.886 -4.053 -0.645 1.00 0.00 C ATOM 132 CG ASP A 8 -11.075 -5.093 0.442 1.00 0.00 C ATOM 133 OD1 ASP A 8 -10.060 -5.618 0.946 1.00 0.00 O ATOM 134 OD2 ASP A 8 -12.239 -5.381 0.791 1.00 0.00 O ATOM 0 H ASP A 8 -10.010 -2.321 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.751 -4.292 -0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.005 -3.058 -0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.666 -4.171 -1.397 1.00 0.00 H new ATOM 139 N SER A 9 -10.449 -5.447 -3.145 1.00 0.00 N ATOM 140 CA SER A 9 -10.543 -6.554 -4.095 1.00 0.00 C ATOM 141 C SER A 9 -11.913 -6.562 -4.758 1.00 0.00 C ATOM 142 O SER A 9 -12.039 -6.836 -5.952 1.00 0.00 O ATOM 143 CB SER A 9 -10.299 -7.895 -3.396 1.00 0.00 C ATOM 144 OG SER A 9 -8.938 -8.278 -3.487 1.00 0.00 O ATOM 0 H SER A 9 -11.192 -4.754 -3.238 1.00 0.00 H new ATOM 0 HA SER A 9 -9.775 -6.414 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.590 -7.820 -2.348 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.927 -8.663 -3.847 1.00 0.00 H new ATOM 0 HG SER A 9 -8.373 -7.570 -3.112 1.00 0.00 H new ATOM 150 N ASN A 10 -12.937 -6.249 -3.973 1.00 0.00 N ATOM 151 CA ASN A 10 -14.303 -6.207 -4.476 1.00 0.00 C ATOM 152 C ASN A 10 -14.604 -4.848 -5.101 1.00 0.00 C ATOM 153 O ASN A 10 -15.500 -4.724 -5.936 1.00 0.00 O ATOM 154 CB ASN A 10 -15.293 -6.493 -3.345 1.00 0.00 C ATOM 155 CG ASN A 10 -15.141 -7.894 -2.787 1.00 0.00 C ATOM 156 OD1 ASN A 10 -15.770 -8.837 -3.271 1.00 0.00 O ATOM 157 ND2 ASN A 10 -14.306 -8.039 -1.765 1.00 0.00 N ATOM 0 H ASN A 10 -12.846 -6.020 -2.983 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.409 -6.974 -5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.146 -5.768 -2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.310 -6.360 -3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.165 -8.959 -1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.806 -7.230 -1.396 1.00 0.00 H new ATOM 164 N ILE A 11 -13.845 -3.832 -4.695 1.00 0.00 N ATOM 165 CA ILE A 11 -14.028 -2.485 -5.219 1.00 0.00 C ATOM 166 C ILE A 11 -13.179 -2.256 -6.457 1.00 0.00 C ATOM 167 O ILE A 11 -13.628 -1.638 -7.422 1.00 0.00 O ATOM 168 CB ILE A 11 -13.642 -1.406 -4.182 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.422 -1.586 -2.886 1.00 0.00 C ATOM 170 CG2 ILE A 11 -13.880 -0.008 -4.742 1.00 0.00 C ATOM 171 CD1 ILE A 11 -13.932 -2.741 -2.040 1.00 0.00 C ATOM 0 H ILE A 11 -13.099 -3.918 -4.005 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.087 -2.399 -5.463 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.580 -1.522 -3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.359 -0.667 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.474 -1.741 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.602 0.735 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.275 0.133 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -14.934 0.108 -4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.533 -2.809 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.021 -3.669 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.888 -2.578 -1.772 1.00 0.00 H new ATOM 183 N HIS A 12 -11.936 -2.719 -6.413 1.00 0.00 N ATOM 184 CA HIS A 12 -11.031 -2.510 -7.523 1.00 0.00 C ATOM 185 C HIS A 12 -10.116 -3.714 -7.709 1.00 0.00 C ATOM 186 O HIS A 12 -9.908 -4.493 -6.779 1.00 0.00 O ATOM 187 CB HIS A 12 -10.206 -1.261 -7.231 1.00 0.00 C ATOM 188 CG HIS A 12 -9.707 -0.548 -8.438 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.300 0.436 -9.136 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -8.507 -0.787 -9.054 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -9.480 0.811 -10.195 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -8.411 0.045 -10.100 1.00 0.00 N flip ATOM 0 H HIS A 12 -11.540 -3.235 -5.628 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.600 -2.383 -8.444 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.812 -0.571 -6.643 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.353 -1.542 -6.613 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.770 -1.516 -8.751 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.677 1.569 -10.938 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.616 0.081 -10.738 1.00 0.00 H new ATOM 200 N LYS A 13 -9.567 -3.860 -8.907 1.00 0.00 N ATOM 201 CA LYS A 13 -8.670 -4.972 -9.200 1.00 0.00 C ATOM 202 C LYS A 13 -7.260 -4.688 -8.683 1.00 0.00 C ATOM 203 O LYS A 13 -6.803 -3.545 -8.701 1.00 0.00 O ATOM 204 CB LYS A 13 -8.642 -5.259 -10.706 1.00 0.00 C ATOM 205 CG LYS A 13 -7.889 -4.222 -11.525 1.00 0.00 C ATOM 206 CD LYS A 13 -7.484 -4.774 -12.884 1.00 0.00 C ATOM 207 CE LYS A 13 -6.488 -5.915 -12.747 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.054 -6.443 -14.070 1.00 0.00 N ATOM 0 H LYS A 13 -9.725 -3.226 -9.690 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.048 -5.856 -8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.186 -6.236 -10.870 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.667 -5.320 -11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.514 -3.340 -11.661 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.000 -3.902 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.370 -5.124 -13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.046 -3.978 -13.486 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.616 -5.570 -12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.938 -6.720 -12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.376 -7.219 -13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.882 -6.797 -14.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.601 -5.682 -14.616 1.00 0.00 H new ATOM 222 N CYS A 14 -6.578 -5.733 -8.220 1.00 0.00 N ATOM 223 CA CYS A 14 -5.223 -5.591 -7.695 1.00 0.00 C ATOM 224 C CYS A 14 -4.613 -6.949 -7.360 1.00 0.00 C ATOM 225 O CYS A 14 -5.114 -7.668 -6.497 1.00 0.00 O ATOM 226 CB CYS A 14 -5.226 -4.707 -6.448 1.00 0.00 C ATOM 227 SG CYS A 14 -6.533 -5.106 -5.264 1.00 0.00 S ATOM 0 H CYS A 14 -6.941 -6.686 -8.198 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.615 -5.123 -8.469 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.260 -4.796 -5.950 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.333 -3.666 -6.754 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.476 -4.281 -4.261 1.00 0.00 H new ATOM 233 N VAL A 15 -3.525 -7.289 -8.044 1.00 0.00 N ATOM 234 CA VAL A 15 -2.841 -8.558 -7.817 1.00 0.00 C ATOM 235 C VAL A 15 -1.768 -8.413 -6.744 1.00 0.00 C ATOM 236 O VAL A 15 -1.485 -9.354 -6.001 1.00 0.00 O ATOM 237 CB VAL A 15 -2.183 -9.080 -9.108 1.00 0.00 C ATOM 238 CG1 VAL A 15 -3.238 -9.444 -10.141 1.00 0.00 C ATOM 239 CG2 VAL A 15 -1.212 -8.049 -9.668 1.00 0.00 C ATOM 0 H VAL A 15 -3.097 -6.703 -8.761 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.596 -9.271 -7.487 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.621 -9.982 -8.865 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.751 -9.810 -11.045 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.888 -10.221 -9.739 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.832 -8.562 -10.381 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.757 -8.435 -10.580 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.749 -7.128 -9.893 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.434 -7.845 -8.933 1.00 0.00 H new ATOM 249 N TYR A 16 -1.168 -7.230 -6.676 1.00 0.00 N ATOM 250 CA TYR A 16 -0.119 -6.958 -5.700 1.00 0.00 C ATOM 251 C TYR A 16 -0.667 -6.963 -4.278 1.00 0.00 C ATOM 252 O TYR A 16 0.070 -7.201 -3.323 1.00 0.00 O ATOM 253 CB TYR A 16 0.544 -5.613 -5.998 1.00 0.00 C ATOM 254 CG TYR A 16 1.222 -5.554 -7.348 1.00 0.00 C ATOM 255 CD1 TYR A 16 1.891 -6.660 -7.860 1.00 0.00 C ATOM 256 CD2 TYR A 16 1.193 -4.394 -8.110 1.00 0.00 C ATOM 257 CE1 TYR A 16 2.512 -6.609 -9.093 1.00 0.00 C ATOM 258 CE2 TYR A 16 1.811 -4.336 -9.344 1.00 0.00 C ATOM 259 CZ TYR A 16 2.469 -5.446 -9.831 1.00 0.00 C ATOM 260 OH TYR A 16 3.086 -5.392 -11.059 1.00 0.00 O ATOM 0 H TYR A 16 -1.390 -6.443 -7.286 1.00 0.00 H new ATOM 0 HA TYR A 16 0.624 -7.752 -5.779 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.210 -4.827 -5.945 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.280 -5.401 -5.222 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.926 -7.573 -7.285 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.679 -3.523 -7.732 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.029 -7.476 -9.477 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.779 -3.426 -9.925 1.00 0.00 H new ATOM 0 HH TYR A 16 2.961 -4.502 -11.449 1.00 0.00 H new ATOM 270 N CYS A 17 -1.962 -6.698 -4.140 1.00 0.00 N ATOM 271 CA CYS A 17 -2.594 -6.677 -2.828 1.00 0.00 C ATOM 272 C CYS A 17 -2.583 -8.069 -2.210 1.00 0.00 C ATOM 273 O CYS A 17 -1.989 -8.288 -1.155 1.00 0.00 O ATOM 274 CB CYS A 17 -4.030 -6.160 -2.935 1.00 0.00 C ATOM 275 SG CYS A 17 -4.856 -5.943 -1.341 1.00 0.00 S ATOM 0 H CYS A 17 -2.591 -6.496 -4.917 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.027 -6.004 -2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.023 -5.206 -3.462 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.611 -6.855 -3.542 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.577 -4.766 -0.864 1.00 0.00 H new ATOM 281 N ASP A 18 -3.234 -9.011 -2.882 1.00 0.00 N ATOM 282 CA ASP A 18 -3.296 -10.388 -2.405 1.00 0.00 C ATOM 283 C ASP A 18 -1.896 -10.976 -2.255 1.00 0.00 C ATOM 284 O ASP A 18 -1.678 -11.892 -1.462 1.00 0.00 O ATOM 285 CB ASP A 18 -4.117 -11.247 -3.369 1.00 0.00 C ATOM 286 CG ASP A 18 -4.908 -12.325 -2.652 1.00 0.00 C ATOM 287 OD1 ASP A 18 -6.053 -12.046 -2.241 1.00 0.00 O ATOM 288 OD2 ASP A 18 -4.379 -13.447 -2.501 1.00 0.00 O ATOM 0 H ASP A 18 -3.727 -8.847 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.778 -10.385 -1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.802 -10.609 -3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.450 -11.712 -4.095 1.00 0.00 H new ATOM 293 N ASN A 19 -0.953 -10.446 -3.027 1.00 0.00 N ATOM 294 CA ASN A 19 0.427 -10.918 -2.988 1.00 0.00 C ATOM 295 C ASN A 19 1.170 -10.351 -1.782 1.00 0.00 C ATOM 296 O ASN A 19 1.653 -11.099 -0.932 1.00 0.00 O ATOM 297 CB ASN A 19 1.154 -10.532 -4.278 1.00 0.00 C ATOM 298 CG ASN A 19 0.624 -11.279 -5.486 1.00 0.00 C ATOM 299 OD1 ASN A 19 -0.390 -11.973 -5.405 1.00 0.00 O ATOM 300 ND2 ASN A 19 1.310 -11.143 -6.614 1.00 0.00 N ATOM 0 H ASN A 19 -1.120 -9.688 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 19 0.408 -12.004 -2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.050 -9.460 -4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.219 -10.736 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.002 -11.624 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.145 -10.558 -6.636 1.00 0.00 H new ATOM 307 N ALA A 20 1.260 -9.026 -1.714 1.00 0.00 N ATOM 308 CA ALA A 20 1.947 -8.361 -0.613 1.00 0.00 C ATOM 309 C ALA A 20 1.398 -8.816 0.733 1.00 0.00 C ATOM 310 O ALA A 20 2.156 -9.132 1.650 1.00 0.00 O ATOM 311 CB ALA A 20 1.827 -6.852 -0.753 1.00 0.00 C ATOM 0 H ALA A 20 0.865 -8.392 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 20 3.001 -8.636 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.344 -6.367 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.276 -6.537 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.775 -6.568 -0.740 1.00 0.00 H new ATOM 317 N LYS A 21 0.074 -8.859 0.841 1.00 0.00 N ATOM 318 CA LYS A 21 -0.578 -9.281 2.075 1.00 0.00 C ATOM 319 C LYS A 21 -0.139 -10.690 2.458 1.00 0.00 C ATOM 320 O LYS A 21 0.308 -10.930 3.580 1.00 0.00 O ATOM 321 CB LYS A 21 -2.099 -9.235 1.913 1.00 0.00 C ATOM 322 CG LYS A 21 -2.857 -9.625 3.172 1.00 0.00 C ATOM 323 CD LYS A 21 -4.168 -10.319 2.841 1.00 0.00 C ATOM 324 CE LYS A 21 -5.200 -10.113 3.939 1.00 0.00 C ATOM 325 NZ LYS A 21 -4.984 -11.039 5.085 1.00 0.00 N ATOM 0 H LYS A 21 -0.568 -8.607 0.089 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.284 -8.595 2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.394 -8.228 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.390 -9.903 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.239 -10.285 3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.056 -8.735 3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.557 -9.934 1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.991 -11.386 2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.154 -9.083 4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.199 -10.267 3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.708 -10.867 5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.053 -12.023 4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.040 -10.875 5.491 1.00 0.00 H new ATOM 339 N ARG A 22 -0.264 -11.617 1.513 1.00 0.00 N ATOM 340 CA ARG A 22 0.126 -13.003 1.749 1.00 0.00 C ATOM 341 C ARG A 22 1.612 -13.093 2.077 1.00 0.00 C ATOM 342 O ARG A 22 2.019 -13.845 2.963 1.00 0.00 O ATOM 343 CB ARG A 22 -0.191 -13.861 0.522 1.00 0.00 C ATOM 344 CG ARG A 22 -0.234 -15.351 0.817 1.00 0.00 C ATOM 345 CD ARG A 22 0.327 -16.163 -0.340 1.00 0.00 C ATOM 346 NE ARG A 22 -0.365 -17.439 -0.501 1.00 0.00 N ATOM 347 CZ ARG A 22 -1.547 -17.571 -1.101 1.00 0.00 C ATOM 348 NH1 ARG A 22 -2.170 -16.507 -1.594 1.00 0.00 N ATOM 349 NH2 ARG A 22 -2.107 -18.767 -1.209 1.00 0.00 N ATOM 0 H ARG A 22 -0.631 -11.434 0.579 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.443 -13.378 2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.152 -13.552 0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.559 -13.673 -0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.337 -15.561 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.262 -15.655 1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.243 -15.587 -1.261 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.389 -16.345 -0.174 1.00 0.00 H new ATOM 0 HE ARG A 22 0.083 -18.278 -0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.744 -15.584 -1.514 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.075 -16.613 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.633 -19.588 -0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.012 -18.867 -1.669 1.00 0.00 H new ATOM 363 N LEU A 23 2.415 -12.312 1.360 1.00 0.00 N ATOM 364 CA LEU A 23 3.857 -12.288 1.574 1.00 0.00 C ATOM 365 C LEU A 23 4.174 -11.919 3.018 1.00 0.00 C ATOM 366 O LEU A 23 4.894 -12.636 3.713 1.00 0.00 O ATOM 367 CB LEU A 23 4.510 -11.289 0.611 1.00 0.00 C ATOM 368 CG LEU A 23 5.920 -10.822 0.988 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.664 -10.335 -0.244 1.00 0.00 C ATOM 370 CD2 LEU A 23 5.856 -9.722 2.039 1.00 0.00 C ATOM 0 H LEU A 23 2.089 -11.686 0.624 1.00 0.00 H new ATOM 0 HA LEU A 23 4.259 -13.282 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.551 -11.742 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.866 -10.413 0.535 1.00 0.00 H new ATOM 0 HG LEU A 23 6.462 -11.669 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.664 -10.007 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.741 -11.147 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.122 -9.501 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.867 -9.403 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.297 -8.874 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.359 -10.101 2.932 1.00 0.00 H new ATOM 382 N LEU A 24 3.625 -10.793 3.464 1.00 0.00 N ATOM 383 CA LEU A 24 3.843 -10.322 4.827 1.00 0.00 C ATOM 384 C LEU A 24 3.441 -11.389 5.837 1.00 0.00 C ATOM 385 O LEU A 24 4.181 -11.681 6.775 1.00 0.00 O ATOM 386 CB LEU A 24 3.050 -9.040 5.076 1.00 0.00 C ATOM 387 CG LEU A 24 3.607 -7.795 4.386 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.478 -6.887 3.932 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.548 -7.048 5.315 1.00 0.00 C ATOM 0 H LEU A 24 3.026 -10.190 2.901 1.00 0.00 H new ATOM 0 HA LEU A 24 4.905 -10.112 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.024 -9.194 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.012 -8.856 6.150 1.00 0.00 H new ATOM 0 HG LEU A 24 4.169 -8.112 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.894 -6.006 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.839 -7.424 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.889 -6.579 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.935 -6.165 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.008 -6.744 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.377 -7.699 5.594 1.00 0.00 H new ATOM 401 N THR A 25 2.266 -11.978 5.631 1.00 0.00 N ATOM 402 CA THR A 25 1.773 -13.022 6.521 1.00 0.00 C ATOM 403 C THR A 25 2.780 -14.164 6.599 1.00 0.00 C ATOM 404 O THR A 25 2.988 -14.756 7.658 1.00 0.00 O ATOM 405 CB THR A 25 0.422 -13.547 6.029 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.460 -12.475 5.748 1.00 0.00 O ATOM 407 CG2 THR A 25 -0.264 -14.458 7.024 1.00 0.00 C ATOM 0 H THR A 25 1.640 -11.750 4.858 1.00 0.00 H new ATOM 0 HA THR A 25 1.642 -12.597 7.516 1.00 0.00 H new ATOM 0 HB THR A 25 0.645 -14.121 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.221 -12.071 4.888 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.216 -14.795 6.613 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.370 -15.321 7.224 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.441 -13.915 7.952 1.00 0.00 H new ATOM 415 N VAL A 26 3.414 -14.454 5.466 1.00 0.00 N ATOM 416 CA VAL A 26 4.413 -15.511 5.388 1.00 0.00 C ATOM 417 C VAL A 26 5.741 -15.041 5.975 1.00 0.00 C ATOM 418 O VAL A 26 6.504 -15.833 6.528 1.00 0.00 O ATOM 419 CB VAL A 26 4.636 -15.960 3.930 1.00 0.00 C ATOM 420 CG1 VAL A 26 5.605 -17.131 3.867 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.311 -16.320 3.275 1.00 0.00 C ATOM 0 H VAL A 26 3.251 -13.967 4.585 1.00 0.00 H new ATOM 0 HA VAL A 26 4.039 -16.356 5.966 1.00 0.00 H new ATOM 0 HB VAL A 26 5.076 -15.129 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.747 -17.430 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.563 -16.834 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.200 -17.969 4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.487 -16.635 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.841 -17.133 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.654 -15.450 3.281 1.00 0.00 H new ATOM 431 N LYS A 27 6.006 -13.744 5.850 1.00 0.00 N ATOM 432 CA LYS A 27 7.236 -13.159 6.369 1.00 0.00 C ATOM 433 C LYS A 27 7.173 -13.000 7.888 1.00 0.00 C ATOM 434 O LYS A 27 8.177 -12.686 8.528 1.00 0.00 O ATOM 435 CB LYS A 27 7.489 -11.797 5.712 1.00 0.00 C ATOM 436 CG LYS A 27 8.641 -11.801 4.717 1.00 0.00 C ATOM 437 CD LYS A 27 8.140 -11.816 3.281 1.00 0.00 C ATOM 438 CE LYS A 27 8.917 -12.808 2.429 1.00 0.00 C ATOM 439 NZ LYS A 27 8.080 -13.380 1.338 1.00 0.00 N ATOM 0 H LYS A 27 5.384 -13.078 5.393 1.00 0.00 H new ATOM 0 HA LYS A 27 8.058 -13.834 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.581 -11.476 5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.695 -11.061 6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.264 -10.921 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.271 -12.673 4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.081 -12.074 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.231 -10.818 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.787 -12.312 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.290 -13.614 3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.506 -14.268 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.123 -13.569 1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.026 -12.703 0.550 1.00 0.00 H new ATOM 453 N LYS A 28 5.988 -13.213 8.462 1.00 0.00 N ATOM 454 CA LYS A 28 5.800 -13.087 9.904 1.00 0.00 C ATOM 455 C LYS A 28 5.940 -11.631 10.341 1.00 0.00 C ATOM 456 O LYS A 28 6.722 -11.311 11.238 1.00 0.00 O ATOM 457 CB LYS A 28 6.807 -13.963 10.657 1.00 0.00 C ATOM 458 CG LYS A 28 6.849 -15.400 10.165 1.00 0.00 C ATOM 459 CD LYS A 28 5.716 -16.223 10.755 1.00 0.00 C ATOM 460 CE LYS A 28 5.124 -17.176 9.729 1.00 0.00 C ATOM 461 NZ LYS A 28 3.989 -17.960 10.288 1.00 0.00 N ATOM 0 H LYS A 28 5.146 -13.473 7.949 1.00 0.00 H new ATOM 0 HA LYS A 28 4.793 -13.427 10.145 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.801 -13.525 10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.558 -13.958 11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.783 -15.415 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.805 -15.850 10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.084 -16.790 11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.937 -15.557 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.782 -16.610 8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.898 -17.858 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.614 -18.597 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.320 -18.520 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.239 -17.311 10.599 1.00 0.00 H new ATOM 475 N GLN A 29 5.177 -10.753 9.699 1.00 0.00 N ATOM 476 CA GLN A 29 5.215 -9.331 10.016 1.00 0.00 C ATOM 477 C GLN A 29 3.806 -8.761 10.155 1.00 0.00 C ATOM 478 O GLN A 29 2.932 -9.047 9.337 1.00 0.00 O ATOM 479 CB GLN A 29 5.973 -8.566 8.927 1.00 0.00 C ATOM 480 CG GLN A 29 7.466 -8.456 9.187 1.00 0.00 C ATOM 481 CD GLN A 29 7.780 -7.643 10.427 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.931 -6.423 10.361 1.00 0.00 O ATOM 483 NE2 GLN A 29 7.880 -8.317 11.567 1.00 0.00 N ATOM 0 H GLN A 29 4.524 -11.002 8.956 1.00 0.00 H new ATOM 0 HA GLN A 29 5.732 -9.214 10.969 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.815 -9.062 7.969 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.553 -7.564 8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.887 -9.455 9.295 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.949 -7.998 8.324 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.747 -9.328 11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.090 -7.823 12.435 1.00 0.00 H new ATOM 492 N PRO A 30 3.566 -7.929 11.184 1.00 0.00 N ATOM 493 CA PRO A 30 2.262 -7.306 11.404 1.00 0.00 C ATOM 494 C PRO A 30 2.091 -6.084 10.519 1.00 0.00 C ATOM 495 O PRO A 30 3.018 -5.289 10.377 1.00 0.00 O ATOM 496 CB PRO A 30 2.341 -6.884 12.865 1.00 0.00 C ATOM 497 CG PRO A 30 3.768 -6.503 13.030 1.00 0.00 C ATOM 498 CD PRO A 30 4.547 -7.503 12.208 1.00 0.00 C ATOM 0 HA PRO A 30 1.425 -7.966 11.176 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.674 -6.049 13.080 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.061 -7.697 13.535 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.946 -5.485 12.683 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.066 -6.539 14.078 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.431 -7.053 11.757 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.890 -8.343 12.813 1.00 0.00 H new ATOM 506 N PHE A 31 0.920 -5.925 9.921 1.00 0.00 N ATOM 507 CA PHE A 31 0.694 -4.779 9.059 1.00 0.00 C ATOM 508 C PHE A 31 -0.776 -4.387 8.976 1.00 0.00 C ATOM 509 O PHE A 31 -1.654 -5.112 9.444 1.00 0.00 O ATOM 510 CB PHE A 31 1.235 -5.045 7.677 1.00 0.00 C ATOM 511 CG PHE A 31 0.441 -6.075 6.948 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.718 -7.414 7.125 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.593 -5.705 6.117 1.00 0.00 C ATOM 514 CE1 PHE A 31 -0.026 -8.377 6.481 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.344 -6.660 5.464 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.062 -8.002 5.647 1.00 0.00 C ATOM 0 H PHE A 31 0.128 -6.561 10.014 1.00 0.00 H new ATOM 0 HA PHE A 31 1.227 -3.940 9.506 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.236 -4.117 7.105 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.271 -5.374 7.752 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.527 -7.711 7.776 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.818 -4.658 5.975 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.200 -9.423 6.627 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.151 -6.361 4.811 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.649 -8.753 5.140 1.00 0.00 H new ATOM 526 N GLU A 32 -1.030 -3.228 8.372 1.00 0.00 N ATOM 527 CA GLU A 32 -2.390 -2.726 8.221 1.00 0.00 C ATOM 528 C GLU A 32 -2.613 -2.167 6.819 1.00 0.00 C ATOM 529 O GLU A 32 -1.797 -1.402 6.306 1.00 0.00 O ATOM 530 CB GLU A 32 -2.677 -1.645 9.264 1.00 0.00 C ATOM 531 CG GLU A 32 -4.090 -1.695 9.819 1.00 0.00 C ATOM 532 CD GLU A 32 -4.554 -0.354 10.354 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.692 0.450 10.766 1.00 0.00 O ATOM 534 OE2 GLU A 32 -5.779 -0.109 10.358 1.00 0.00 O ATOM 0 H GLU A 32 -0.311 -2.620 7.980 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.075 -3.560 8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.969 -1.748 10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.506 -0.666 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.772 -2.026 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.137 -2.436 10.617 1.00 0.00 H new ATOM 541 N PHE A 33 -3.725 -2.558 6.208 1.00 0.00 N ATOM 542 CA PHE A 33 -4.071 -2.112 4.872 1.00 0.00 C ATOM 543 C PHE A 33 -4.889 -0.826 4.921 1.00 0.00 C ATOM 544 O PHE A 33 -5.476 -0.489 5.950 1.00 0.00 O ATOM 545 CB PHE A 33 -4.867 -3.208 4.171 1.00 0.00 C ATOM 546 CG PHE A 33 -4.962 -3.029 2.690 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.895 -3.354 1.878 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.119 -2.541 2.114 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.977 -3.195 0.508 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.211 -2.377 0.746 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.136 -2.706 -0.060 1.00 0.00 C ATOM 0 H PHE A 33 -4.407 -3.191 6.626 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.154 -1.908 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.405 -4.172 4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.873 -3.238 4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.986 -3.737 2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.961 -2.285 2.740 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.135 -3.453 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.120 -1.993 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.203 -2.581 -1.131 1.00 0.00 H new ATOM 561 N ILE A 34 -4.928 -0.117 3.799 1.00 0.00 N ATOM 562 CA ILE A 34 -5.681 1.125 3.699 1.00 0.00 C ATOM 563 C ILE A 34 -6.245 1.294 2.300 1.00 0.00 C ATOM 564 O ILE A 34 -5.511 1.317 1.313 1.00 0.00 O ATOM 565 CB ILE A 34 -4.822 2.353 4.046 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.005 2.087 5.308 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.702 3.581 4.227 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.987 3.163 5.609 1.00 0.00 C ATOM 0 H ILE A 34 -4.444 -0.384 2.942 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.493 1.060 4.423 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.134 2.542 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.683 1.993 6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.491 1.132 5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.080 4.442 4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.246 3.778 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.411 3.404 5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.445 2.906 6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.285 3.243 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.496 4.117 5.747 1.00 0.00 H new ATOM 580 N ASN A 35 -7.557 1.401 2.230 1.00 0.00 N ATOM 581 CA ASN A 35 -8.251 1.561 0.960 1.00 0.00 C ATOM 582 C ASN A 35 -8.412 3.034 0.611 1.00 0.00 C ATOM 583 O ASN A 35 -9.006 3.800 1.368 1.00 0.00 O ATOM 584 CB ASN A 35 -9.621 0.881 1.014 1.00 0.00 C ATOM 585 CG ASN A 35 -10.184 0.599 -0.366 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.580 0.947 -1.379 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.349 -0.037 -0.409 1.00 0.00 N ATOM 0 H ASN A 35 -8.172 1.380 3.044 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.651 1.088 0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.537 -0.055 1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.316 1.515 1.564 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.778 -0.256 -1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.815 -0.307 0.457 1.00 0.00 H new ATOM 594 N ILE A 36 -7.881 3.421 -0.542 1.00 0.00 N ATOM 595 CA ILE A 36 -7.970 4.803 -0.994 1.00 0.00 C ATOM 596 C ILE A 36 -9.208 5.026 -1.858 1.00 0.00 C ATOM 597 O ILE A 36 -9.518 6.155 -2.230 1.00 0.00 O ATOM 598 CB ILE A 36 -6.717 5.220 -1.788 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.540 4.326 -3.017 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.483 5.160 -0.900 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.102 5.080 -4.255 1.00 0.00 C ATOM 0 H ILE A 36 -7.385 2.798 -1.180 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.043 5.421 -0.099 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.847 6.247 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.804 3.554 -2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.481 3.818 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.606 5.457 -1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.609 5.837 -0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.348 4.143 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.996 4.384 -5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.849 5.834 -4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.145 5.566 -4.065 1.00 0.00 H new ATOM 613 N MET A 37 -9.915 3.943 -2.175 1.00 0.00 N ATOM 614 CA MET A 37 -11.118 4.033 -2.992 1.00 0.00 C ATOM 615 C MET A 37 -12.335 3.538 -2.215 1.00 0.00 C ATOM 616 O MET A 37 -12.562 2.333 -2.105 1.00 0.00 O ATOM 617 CB MET A 37 -10.949 3.220 -4.280 1.00 0.00 C ATOM 618 CG MET A 37 -12.025 3.489 -5.321 1.00 0.00 C ATOM 619 SD MET A 37 -12.035 2.261 -6.644 1.00 0.00 S ATOM 620 CE MET A 37 -11.020 3.072 -7.879 1.00 0.00 C ATOM 0 H MET A 37 -9.675 2.997 -1.879 1.00 0.00 H new ATOM 0 HA MET A 37 -11.276 5.079 -3.254 1.00 0.00 H new ATOM 0 HB2 MET A 37 -9.974 3.442 -4.713 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.954 2.159 -4.032 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.000 3.501 -4.835 1.00 0.00 H new ATOM 0 HG3 MET A 37 -11.870 4.479 -5.750 1.00 0.00 H new ATOM 0 HE1 MET A 37 -11.465 2.932 -8.864 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.958 4.137 -7.657 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.019 2.640 -7.868 1.00 0.00 H new ATOM 630 N PRO A 38 -13.139 4.466 -1.662 1.00 0.00 N ATOM 631 CA PRO A 38 -14.338 4.113 -0.896 1.00 0.00 C ATOM 632 C PRO A 38 -15.483 3.688 -1.804 1.00 0.00 C ATOM 633 O PRO A 38 -16.351 2.909 -1.411 1.00 0.00 O ATOM 634 CB PRO A 38 -14.680 5.416 -0.175 1.00 0.00 C ATOM 635 CG PRO A 38 -14.191 6.482 -1.091 1.00 0.00 C ATOM 636 CD PRO A 38 -12.949 5.928 -1.743 1.00 0.00 C ATOM 0 HA PRO A 38 -14.174 3.269 -0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.752 5.504 0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.192 5.472 0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.945 6.732 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.969 7.397 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.854 6.264 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.046 6.245 -1.221 1.00 0.00 H new ATOM 644 N GLU A 39 -15.471 4.209 -3.025 1.00 0.00 N ATOM 645 CA GLU A 39 -16.496 3.892 -4.007 1.00 0.00 C ATOM 646 C GLU A 39 -15.872 3.731 -5.385 1.00 0.00 C ATOM 647 O GLU A 39 -14.860 4.358 -5.694 1.00 0.00 O ATOM 648 CB GLU A 39 -17.566 4.986 -4.036 1.00 0.00 C ATOM 649 CG GLU A 39 -17.001 6.394 -3.978 1.00 0.00 C ATOM 650 CD GLU A 39 -17.919 7.419 -4.615 1.00 0.00 C ATOM 651 OE1 GLU A 39 -17.909 7.533 -5.859 1.00 0.00 O ATOM 652 OE2 GLU A 39 -18.649 8.106 -3.870 1.00 0.00 O ATOM 0 H GLU A 39 -14.757 4.857 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.969 2.952 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.158 4.879 -4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -18.244 4.841 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.824 6.668 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.035 6.415 -4.482 1.00 0.00 H new ATOM 659 N LYS A 40 -16.480 2.891 -6.217 1.00 0.00 N ATOM 660 CA LYS A 40 -15.969 2.655 -7.563 1.00 0.00 C ATOM 661 C LYS A 40 -16.032 3.910 -8.419 1.00 0.00 C ATOM 662 O LYS A 40 -15.503 3.955 -9.530 1.00 0.00 O ATOM 663 CB LYS A 40 -16.729 1.513 -8.240 1.00 0.00 C ATOM 664 CG LYS A 40 -16.191 0.135 -7.889 1.00 0.00 C ATOM 665 CD LYS A 40 -16.911 -0.958 -8.664 1.00 0.00 C ATOM 666 CE LYS A 40 -18.223 -1.339 -7.999 1.00 0.00 C ATOM 667 NZ LYS A 40 -19.298 -0.347 -8.281 1.00 0.00 N ATOM 0 H LYS A 40 -17.322 2.365 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.921 2.371 -7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.780 1.567 -7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.684 1.648 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -15.124 0.094 -8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.306 -0.040 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.103 -0.618 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.270 -1.837 -8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.536 -2.322 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.075 -1.417 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.175 -0.847 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.462 0.237 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.009 0.263 -9.072 1.00 0.00 H new ATOM 681 N GLY A 41 -16.677 4.921 -7.883 1.00 0.00 N ATOM 682 CA GLY A 41 -16.820 6.186 -8.580 1.00 0.00 C ATOM 683 C GLY A 41 -15.584 7.058 -8.469 1.00 0.00 C ATOM 684 O GLY A 41 -15.009 7.463 -9.479 1.00 0.00 O ATOM 0 H GLY A 41 -17.114 4.895 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.031 5.995 -9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.677 6.724 -8.175 1.00 0.00 H new ATOM 688 N VAL A 42 -15.175 7.349 -7.237 1.00 0.00 N ATOM 689 CA VAL A 42 -14.003 8.185 -7.004 1.00 0.00 C ATOM 690 C VAL A 42 -13.284 7.793 -5.719 1.00 0.00 C ATOM 691 O VAL A 42 -13.912 7.371 -4.748 1.00 0.00 O ATOM 692 CB VAL A 42 -14.387 9.675 -6.928 1.00 0.00 C ATOM 693 CG1 VAL A 42 -13.141 10.548 -6.882 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.274 10.059 -8.102 1.00 0.00 C ATOM 0 H VAL A 42 -15.636 7.020 -6.389 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.333 8.027 -7.849 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.950 9.839 -6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.433 11.597 -6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.549 10.291 -6.004 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.547 10.382 -7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.535 11.115 -8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.740 9.879 -9.035 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.184 9.459 -8.083 1.00 0.00 H new ATOM 704 N PHE A 43 -11.960 7.942 -5.714 1.00 0.00 N ATOM 705 CA PHE A 43 -11.161 7.605 -4.537 1.00 0.00 C ATOM 706 C PHE A 43 -11.481 8.550 -3.382 1.00 0.00 C ATOM 707 O PHE A 43 -12.144 9.570 -3.566 1.00 0.00 O ATOM 708 CB PHE A 43 -9.656 7.668 -4.839 1.00 0.00 C ATOM 709 CG PHE A 43 -9.293 7.428 -6.277 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.940 6.454 -7.019 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.302 8.182 -6.884 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.605 6.237 -8.342 1.00 0.00 C ATOM 713 CE2 PHE A 43 -7.963 7.969 -8.206 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.616 6.995 -8.937 1.00 0.00 C ATOM 0 H PHE A 43 -11.421 8.292 -6.506 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.417 6.583 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.281 8.647 -4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.144 6.930 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.714 5.858 -6.559 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.789 8.945 -6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.117 5.475 -8.911 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.188 8.563 -8.668 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.354 6.827 -9.971 1.00 0.00 H new ATOM 724 N ASP A 44 -10.995 8.207 -2.191 1.00 0.00 N ATOM 725 CA ASP A 44 -11.222 9.026 -1.004 1.00 0.00 C ATOM 726 C ASP A 44 -10.094 10.039 -0.822 1.00 0.00 C ATOM 727 O ASP A 44 -8.925 9.667 -0.706 1.00 0.00 O ATOM 728 CB ASP A 44 -11.329 8.139 0.243 1.00 0.00 C ATOM 729 CG ASP A 44 -11.449 8.943 1.525 1.00 0.00 C ATOM 730 OD1 ASP A 44 -11.641 10.174 1.439 1.00 0.00 O ATOM 731 OD2 ASP A 44 -11.350 8.340 2.613 1.00 0.00 O ATOM 0 H ASP A 44 -10.441 7.367 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.159 9.567 -1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.196 7.486 0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.451 7.496 0.303 1.00 0.00 H new ATOM 736 N ASP A 45 -10.449 11.319 -0.788 1.00 0.00 N ATOM 737 CA ASP A 45 -9.465 12.381 -0.611 1.00 0.00 C ATOM 738 C ASP A 45 -8.836 12.314 0.778 1.00 0.00 C ATOM 739 O ASP A 45 -7.703 12.752 0.979 1.00 0.00 O ATOM 740 CB ASP A 45 -10.118 13.749 -0.821 1.00 0.00 C ATOM 741 CG ASP A 45 -10.798 13.862 -2.172 1.00 0.00 C ATOM 742 OD1 ASP A 45 -10.082 13.924 -3.193 1.00 0.00 O ATOM 743 OD2 ASP A 45 -12.046 13.889 -2.208 1.00 0.00 O ATOM 0 H ASP A 45 -11.411 11.646 -0.881 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.679 12.242 -1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.850 13.924 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.361 14.528 -0.732 1.00 0.00 H new ATOM 748 N GLU A 46 -9.577 11.759 1.736 1.00 0.00 N ATOM 749 CA GLU A 46 -9.087 11.631 3.103 1.00 0.00 C ATOM 750 C GLU A 46 -7.833 10.766 3.141 1.00 0.00 C ATOM 751 O GLU A 46 -6.782 11.199 3.616 1.00 0.00 O ATOM 752 CB GLU A 46 -10.167 11.028 4.003 1.00 0.00 C ATOM 753 CG GLU A 46 -9.804 11.038 5.480 1.00 0.00 C ATOM 754 CD GLU A 46 -10.875 10.406 6.348 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.807 11.129 6.759 1.00 0.00 O ATOM 756 OE2 GLU A 46 -10.781 9.190 6.617 1.00 0.00 O ATOM 0 H GLU A 46 -10.517 11.392 1.589 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.837 12.626 3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.096 11.581 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.357 10.001 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.864 10.505 5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.640 12.066 5.803 1.00 0.00 H new ATOM 763 N LYS A 47 -7.947 9.548 2.624 1.00 0.00 N ATOM 764 CA LYS A 47 -6.818 8.630 2.586 1.00 0.00 C ATOM 765 C LYS A 47 -5.721 9.185 1.687 1.00 0.00 C ATOM 766 O LYS A 47 -4.542 9.167 2.039 1.00 0.00 O ATOM 767 CB LYS A 47 -7.264 7.254 2.086 1.00 0.00 C ATOM 768 CG LYS A 47 -8.471 6.701 2.827 1.00 0.00 C ATOM 769 CD LYS A 47 -8.177 6.508 4.305 1.00 0.00 C ATOM 770 CE LYS A 47 -9.428 6.118 5.076 1.00 0.00 C ATOM 771 NZ LYS A 47 -9.550 4.642 5.229 1.00 0.00 N ATOM 0 H LYS A 47 -8.809 9.175 2.226 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.425 8.521 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.499 7.321 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.435 6.554 2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.315 7.381 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.765 5.748 2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.417 5.736 4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.766 7.429 4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.407 6.584 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.307 6.503 4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.416 4.418 5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.596 4.198 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.724 4.277 5.744 1.00 0.00 H new ATOM 785 N ILE A 48 -6.126 9.696 0.528 1.00 0.00 N ATOM 786 CA ILE A 48 -5.190 10.277 -0.426 1.00 0.00 C ATOM 787 C ILE A 48 -4.371 11.384 0.238 1.00 0.00 C ATOM 788 O ILE A 48 -3.159 11.476 0.045 1.00 0.00 O ATOM 789 CB ILE A 48 -5.936 10.849 -1.655 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.504 9.715 -2.511 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.025 11.735 -2.493 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.672 10.140 -3.376 1.00 0.00 C ATOM 0 H ILE A 48 -7.100 9.719 0.227 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.520 9.486 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.759 11.463 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.713 9.321 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.822 8.902 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.579 12.121 -3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.668 12.567 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.174 11.152 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.025 9.287 -3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.479 10.507 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.354 10.932 -4.053 1.00 0.00 H new ATOM 804 N ALA A 49 -5.045 12.217 1.025 1.00 0.00 N ATOM 805 CA ALA A 49 -4.383 13.312 1.723 1.00 0.00 C ATOM 806 C ALA A 49 -3.388 12.777 2.744 1.00 0.00 C ATOM 807 O ALA A 49 -2.241 13.219 2.802 1.00 0.00 O ATOM 808 CB ALA A 49 -5.412 14.206 2.401 1.00 0.00 C ATOM 0 H ALA A 49 -6.049 12.154 1.195 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.835 13.905 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.903 15.019 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.086 14.619 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.985 13.621 3.120 1.00 0.00 H new ATOM 814 N GLU A 50 -3.835 11.814 3.544 1.00 0.00 N ATOM 815 CA GLU A 50 -2.984 11.207 4.560 1.00 0.00 C ATOM 816 C GLU A 50 -1.792 10.514 3.908 1.00 0.00 C ATOM 817 O GLU A 50 -0.683 10.530 4.441 1.00 0.00 O ATOM 818 CB GLU A 50 -3.787 10.204 5.395 1.00 0.00 C ATOM 819 CG GLU A 50 -2.926 9.313 6.280 1.00 0.00 C ATOM 820 CD GLU A 50 -3.405 9.282 7.720 1.00 0.00 C ATOM 821 OE1 GLU A 50 -4.588 9.602 7.959 1.00 0.00 O ATOM 822 OE2 GLU A 50 -2.596 8.938 8.606 1.00 0.00 O ATOM 0 H GLU A 50 -4.782 11.437 3.508 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.614 11.993 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.493 10.750 6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.375 9.576 4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.927 8.299 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.895 9.666 6.251 1.00 0.00 H new ATOM 829 N LEU A 51 -2.031 9.911 2.748 1.00 0.00 N ATOM 830 CA LEU A 51 -0.979 9.218 2.021 1.00 0.00 C ATOM 831 C LEU A 51 0.110 10.195 1.602 1.00 0.00 C ATOM 832 O LEU A 51 1.263 10.059 2.004 1.00 0.00 O ATOM 833 CB LEU A 51 -1.563 8.524 0.790 1.00 0.00 C ATOM 834 CG LEU A 51 -0.539 7.833 -0.111 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.311 6.868 0.697 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.237 7.107 -1.251 1.00 0.00 C ATOM 0 H LEU A 51 -2.944 9.889 2.293 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.539 8.467 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.291 7.784 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.105 9.262 0.199 1.00 0.00 H new ATOM 0 HG LEU A 51 0.115 8.593 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.035 6.384 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.838 7.414 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.329 6.112 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.493 6.621 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.914 6.356 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.805 7.823 -1.845 1.00 0.00 H new ATOM 848 N LEU A 52 -0.273 11.190 0.803 1.00 0.00 N ATOM 849 CA LEU A 52 0.654 12.205 0.326 1.00 0.00 C ATOM 850 C LEU A 52 1.551 12.717 1.441 1.00 0.00 C ATOM 851 O LEU A 52 2.753 12.908 1.257 1.00 0.00 O ATOM 852 CB LEU A 52 -0.133 13.333 -0.278 1.00 0.00 C ATOM 853 CG LEU A 52 -0.851 12.930 -1.549 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.642 14.090 -2.054 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.139 12.449 -2.598 1.00 0.00 C ATOM 0 H LEU A 52 -1.230 11.312 0.472 1.00 0.00 H new ATOM 0 HA LEU A 52 1.305 11.760 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.862 13.691 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.538 14.165 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.528 12.103 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.161 13.806 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.371 14.389 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.972 14.925 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.399 12.165 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.841 13.250 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.685 11.587 -2.215 1.00 0.00 H new ATOM 867 N THR A 53 0.951 12.929 2.605 1.00 0.00 N ATOM 868 CA THR A 53 1.686 13.410 3.768 1.00 0.00 C ATOM 869 C THR A 53 2.639 12.334 4.277 1.00 0.00 C ATOM 870 O THR A 53 3.701 12.634 4.824 1.00 0.00 O ATOM 871 CB THR A 53 0.717 13.823 4.877 1.00 0.00 C ATOM 872 OG1 THR A 53 -0.147 14.853 4.431 1.00 0.00 O ATOM 873 CG2 THR A 53 1.412 14.319 6.128 1.00 0.00 C ATOM 0 H THR A 53 -0.044 12.775 2.769 1.00 0.00 H new ATOM 0 HA THR A 53 2.270 14.281 3.471 1.00 0.00 H new ATOM 0 HB THR A 53 0.161 12.919 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.858 14.467 3.878 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.666 14.595 6.873 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.049 13.530 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.021 15.189 5.885 1.00 0.00 H new ATOM 881 N LYS A 54 2.252 11.079 4.082 1.00 0.00 N ATOM 882 CA LYS A 54 3.064 9.948 4.509 1.00 0.00 C ATOM 883 C LYS A 54 4.333 9.842 3.667 1.00 0.00 C ATOM 884 O LYS A 54 5.423 9.623 4.196 1.00 0.00 O ATOM 885 CB LYS A 54 2.255 8.652 4.403 1.00 0.00 C ATOM 886 CG LYS A 54 2.627 7.615 5.449 1.00 0.00 C ATOM 887 CD LYS A 54 1.518 6.594 5.636 1.00 0.00 C ATOM 888 CE LYS A 54 1.854 5.595 6.733 1.00 0.00 C ATOM 889 NZ LYS A 54 1.040 5.821 7.958 1.00 0.00 N ATOM 0 H LYS A 54 1.376 10.819 3.628 1.00 0.00 H new ATOM 0 HA LYS A 54 3.353 10.106 5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.195 8.887 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.400 8.223 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.544 7.108 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.831 8.110 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.589 7.107 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.350 6.063 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.685 4.583 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.913 5.671 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.659 5.805 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.567 6.745 7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.325 5.071 8.043 1.00 0.00 H new ATOM 903 N LEU A 55 4.183 9.997 2.355 1.00 0.00 N ATOM 904 CA LEU A 55 5.314 9.916 1.439 1.00 0.00 C ATOM 905 C LEU A 55 6.376 10.959 1.773 1.00 0.00 C ATOM 906 O LEU A 55 7.483 10.617 2.193 1.00 0.00 O ATOM 907 CB LEU A 55 4.841 10.097 0.003 1.00 0.00 C ATOM 908 CG LEU A 55 3.873 9.020 -0.475 1.00 0.00 C ATOM 909 CD1 LEU A 55 2.442 9.483 -0.300 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.149 8.657 -1.920 1.00 0.00 C ATOM 0 H LEU A 55 3.287 10.180 1.902 1.00 0.00 H new ATOM 0 HA LEU A 55 5.763 8.929 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.359 11.070 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.710 10.108 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 55 4.021 8.127 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.763 8.704 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.252 9.689 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.279 10.390 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.448 7.887 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.030 9.541 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.168 8.281 -2.013 1.00 0.00 H new ATOM 922 N GLY A 56 6.037 12.230 1.585 1.00 0.00 N ATOM 923 CA GLY A 56 6.980 13.297 1.872 1.00 0.00 C ATOM 924 C GLY A 56 6.501 14.654 1.390 1.00 0.00 C ATOM 925 O GLY A 56 6.818 15.678 1.994 1.00 0.00 O ATOM 0 H GLY A 56 5.129 12.541 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.156 13.340 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.936 13.067 1.402 1.00 0.00 H new ATOM 929 N ARG A 57 5.741 14.662 0.299 1.00 0.00 N ATOM 930 CA ARG A 57 5.222 15.908 -0.263 1.00 0.00 C ATOM 931 C ARG A 57 3.753 15.762 -0.647 1.00 0.00 C ATOM 932 O ARG A 57 3.108 14.772 -0.304 1.00 0.00 O ATOM 933 CB ARG A 57 6.049 16.319 -1.485 1.00 0.00 C ATOM 934 CG ARG A 57 7.007 17.466 -1.212 1.00 0.00 C ATOM 935 CD ARG A 57 8.161 17.476 -2.202 1.00 0.00 C ATOM 936 NE ARG A 57 8.650 18.828 -2.458 1.00 0.00 N ATOM 937 CZ ARG A 57 9.467 19.488 -1.640 1.00 0.00 C ATOM 938 NH1 ARG A 57 9.885 18.927 -0.513 1.00 0.00 N ATOM 939 NH2 ARG A 57 9.864 20.715 -1.948 1.00 0.00 N ATOM 0 H ARG A 57 5.470 13.823 -0.214 1.00 0.00 H new ATOM 0 HA ARG A 57 5.300 16.685 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.617 15.457 -1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.373 16.605 -2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.469 18.412 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.397 17.382 -0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.975 16.863 -1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.838 17.023 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 57 8.348 19.294 -3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.580 17.985 -0.269 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.511 19.438 0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.543 21.153 -2.812 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.490 21.221 -1.321 1.00 0.00 H new ATOM 953 N ASP A 58 3.225 16.756 -1.355 1.00 0.00 N ATOM 954 CA ASP A 58 1.830 16.737 -1.779 1.00 0.00 C ATOM 955 C ASP A 58 1.707 16.387 -3.260 1.00 0.00 C ATOM 956 O ASP A 58 0.689 16.670 -3.891 1.00 0.00 O ATOM 957 CB ASP A 58 1.177 18.094 -1.511 1.00 0.00 C ATOM 958 CG ASP A 58 1.894 19.229 -2.215 1.00 0.00 C ATOM 959 OD1 ASP A 58 2.091 19.134 -3.446 1.00 0.00 O ATOM 960 OD2 ASP A 58 2.259 20.212 -1.538 1.00 0.00 O ATOM 0 H ASP A 58 3.743 17.585 -1.647 1.00 0.00 H new ATOM 0 HA ASP A 58 1.316 15.969 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.138 18.065 -1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.167 18.284 -0.438 1.00 0.00 H new ATOM 965 N THR A 59 2.749 15.768 -3.811 1.00 0.00 N ATOM 966 CA THR A 59 2.750 15.380 -5.217 1.00 0.00 C ATOM 967 C THR A 59 2.917 13.871 -5.363 1.00 0.00 C ATOM 968 O THR A 59 3.288 13.184 -4.413 1.00 0.00 O ATOM 969 CB THR A 59 3.870 16.104 -5.967 1.00 0.00 C ATOM 970 OG1 THR A 59 4.071 15.527 -7.245 1.00 0.00 O ATOM 971 CG2 THR A 59 5.195 16.076 -5.236 1.00 0.00 C ATOM 0 H THR A 59 3.601 15.525 -3.305 1.00 0.00 H new ATOM 0 HA THR A 59 1.791 15.665 -5.648 1.00 0.00 H new ATOM 0 HB THR A 59 3.541 17.140 -6.049 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.790 16.004 -7.710 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.945 16.607 -5.822 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.085 16.559 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.510 15.042 -5.094 1.00 0.00 H new ATOM 979 N GLN A 60 2.641 13.363 -6.560 1.00 0.00 N ATOM 980 CA GLN A 60 2.763 11.933 -6.832 1.00 0.00 C ATOM 981 C GLN A 60 3.597 11.684 -8.083 1.00 0.00 C ATOM 982 O GLN A 60 3.104 11.800 -9.205 1.00 0.00 O ATOM 983 CB GLN A 60 1.383 11.303 -6.999 1.00 0.00 C ATOM 984 CG GLN A 60 0.555 11.299 -5.724 1.00 0.00 C ATOM 985 CD GLN A 60 -0.927 11.475 -5.991 1.00 0.00 C ATOM 986 OE1 GLN A 60 -1.691 10.510 -5.965 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.340 12.710 -6.249 1.00 0.00 N ATOM 0 H GLN A 60 2.332 13.919 -7.357 1.00 0.00 H new ATOM 0 HA GLN A 60 3.266 11.473 -5.982 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.838 11.843 -7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.501 10.277 -7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.716 10.360 -5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.900 12.099 -5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.671 13.480 -6.260 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.327 12.889 -6.436 1.00 0.00 H new ATOM 996 N ILE A 61 4.859 11.329 -7.880 1.00 0.00 N ATOM 997 CA ILE A 61 5.768 11.054 -8.987 1.00 0.00 C ATOM 998 C ILE A 61 5.550 9.650 -9.537 1.00 0.00 C ATOM 999 O ILE A 61 6.244 8.708 -9.155 1.00 0.00 O ATOM 1000 CB ILE A 61 7.241 11.198 -8.555 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.448 12.514 -7.803 1.00 0.00 C ATOM 1002 CG2 ILE A 61 8.158 11.124 -9.766 1.00 0.00 C ATOM 1003 CD1 ILE A 61 8.773 12.593 -7.077 1.00 0.00 C ATOM 0 H ILE A 61 5.278 11.224 -6.956 1.00 0.00 H new ATOM 0 HA ILE A 61 5.551 11.787 -9.764 1.00 0.00 H new ATOM 0 HB ILE A 61 7.490 10.375 -7.885 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.380 13.341 -8.509 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.640 12.643 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.194 11.227 -9.444 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.027 10.163 -10.264 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.911 11.928 -10.459 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.851 13.553 -6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.836 11.787 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.588 12.496 -7.795 1.00 0.00 H new ATOM 1015 N GLY A 62 4.577 9.514 -10.434 1.00 0.00 N ATOM 1016 CA GLY A 62 4.284 8.218 -11.017 1.00 0.00 C ATOM 1017 C GLY A 62 3.968 7.175 -9.963 1.00 0.00 C ATOM 1018 O GLY A 62 4.195 5.982 -10.170 1.00 0.00 O ATOM 0 H GLY A 62 3.988 10.277 -10.766 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.439 8.311 -11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.137 7.887 -11.610 1.00 0.00 H new ATOM 1022 N LEU A 63 3.452 7.630 -8.826 1.00 0.00 N ATOM 1023 CA LEU A 63 3.106 6.733 -7.727 1.00 0.00 C ATOM 1024 C LEU A 63 2.148 5.640 -8.187 1.00 0.00 C ATOM 1025 O LEU A 63 1.267 5.876 -9.013 1.00 0.00 O ATOM 1026 CB LEU A 63 2.485 7.525 -6.573 1.00 0.00 C ATOM 1027 CG LEU A 63 3.467 7.979 -5.488 1.00 0.00 C ATOM 1028 CD1 LEU A 63 3.733 6.852 -4.504 1.00 0.00 C ATOM 1029 CD2 LEU A 63 4.770 8.461 -6.110 1.00 0.00 C ATOM 0 H LEU A 63 3.264 8.615 -8.641 1.00 0.00 H new ATOM 0 HA LEU A 63 4.023 6.256 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.990 8.405 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.713 6.912 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 63 3.017 8.811 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.433 7.193 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.797 6.553 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.160 6.000 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.453 8.779 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.224 7.649 -6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.567 9.301 -6.775 1.00 0.00 H new ATOM 1041 N THR A 64 2.333 4.443 -7.642 1.00 0.00 N ATOM 1042 CA THR A 64 1.489 3.306 -7.993 1.00 0.00 C ATOM 1043 C THR A 64 0.876 2.670 -6.749 1.00 0.00 C ATOM 1044 O THR A 64 1.442 2.740 -5.658 1.00 0.00 O ATOM 1045 CB THR A 64 2.301 2.265 -8.764 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.367 2.880 -9.467 1.00 0.00 O ATOM 1047 CG2 THR A 64 1.478 1.486 -9.768 1.00 0.00 C ATOM 0 H THR A 64 3.059 4.234 -6.956 1.00 0.00 H new ATOM 0 HA THR A 64 0.679 3.670 -8.624 1.00 0.00 H new ATOM 0 HB THR A 64 2.673 1.573 -8.009 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.875 2.197 -9.953 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.115 0.765 -10.280 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.676 0.959 -9.251 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.049 2.173 -10.498 1.00 0.00 H new ATOM 1055 N MET A 65 -0.284 2.047 -6.921 1.00 0.00 N ATOM 1056 CA MET A 65 -0.972 1.396 -5.815 1.00 0.00 C ATOM 1057 C MET A 65 -0.907 -0.122 -5.957 1.00 0.00 C ATOM 1058 O MET A 65 -0.867 -0.644 -7.071 1.00 0.00 O ATOM 1059 CB MET A 65 -2.432 1.857 -5.753 1.00 0.00 C ATOM 1060 CG MET A 65 -2.593 3.348 -5.501 1.00 0.00 C ATOM 1061 SD MET A 65 -1.676 3.918 -4.057 1.00 0.00 S ATOM 1062 CE MET A 65 -1.149 5.539 -4.608 1.00 0.00 C ATOM 0 H MET A 65 -0.767 1.979 -7.817 1.00 0.00 H new ATOM 0 HA MET A 65 -0.472 1.678 -4.888 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.925 1.601 -6.691 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.944 1.307 -4.964 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.256 3.898 -6.380 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.650 3.577 -5.367 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.239 5.825 -4.080 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.954 5.513 -5.680 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.933 6.267 -4.399 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.888 -0.856 -4.830 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.931 -0.288 -3.482 1.00 0.00 C ATOM 1074 C PRO A 66 0.428 0.219 -3.006 1.00 0.00 C ATOM 1075 O PRO A 66 1.469 -0.337 -3.358 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.393 -1.465 -2.604 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.620 -2.613 -3.537 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.829 -2.315 -4.777 1.00 0.00 C ATOM 0 HA PRO A 66 -1.587 0.581 -3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.640 -1.713 -1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.306 -1.214 -2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.295 -3.550 -3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.680 -2.721 -3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.196 -2.680 -4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.269 -2.774 -5.662 1.00 0.00 H new ATOM 1086 N GLN A 67 0.403 1.267 -2.189 1.00 0.00 N ATOM 1087 CA GLN A 67 1.626 1.847 -1.645 1.00 0.00 C ATOM 1088 C GLN A 67 1.798 1.449 -0.183 1.00 0.00 C ATOM 1089 O GLN A 67 0.898 1.644 0.630 1.00 0.00 O ATOM 1090 CB GLN A 67 1.593 3.370 -1.771 1.00 0.00 C ATOM 1091 CG GLN A 67 2.966 3.994 -1.946 1.00 0.00 C ATOM 1092 CD GLN A 67 3.379 4.093 -3.401 1.00 0.00 C ATOM 1093 OE1 GLN A 67 2.563 4.404 -4.269 1.00 0.00 O ATOM 1094 NE2 GLN A 67 4.650 3.824 -3.677 1.00 0.00 N ATOM 0 H GLN A 67 -0.453 1.733 -1.888 1.00 0.00 H new ATOM 0 HA GLN A 67 2.472 1.464 -2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.968 3.643 -2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.123 3.790 -0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.968 4.990 -1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.702 3.402 -1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.292 3.570 -2.926 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.984 3.871 -4.640 1.00 0.00 H new ATOM 1103 N VAL A 68 2.953 0.881 0.147 1.00 0.00 N ATOM 1104 CA VAL A 68 3.218 0.449 1.514 1.00 0.00 C ATOM 1105 C VAL A 68 4.138 1.422 2.246 1.00 0.00 C ATOM 1106 O VAL A 68 4.763 2.287 1.628 1.00 0.00 O ATOM 1107 CB VAL A 68 3.845 -0.962 1.550 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.665 -1.595 2.921 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.242 -1.847 0.467 1.00 0.00 C ATOM 0 H VAL A 68 3.716 0.710 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 68 2.253 0.425 2.021 1.00 0.00 H new ATOM 0 HB VAL A 68 4.913 -0.865 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.114 -2.588 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.150 -0.975 3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.602 -1.676 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.698 -2.836 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.167 -1.935 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.429 -1.404 -0.511 1.00 0.00 H new ATOM 1119 N PHE A 69 4.217 1.276 3.569 1.00 0.00 N ATOM 1120 CA PHE A 69 5.064 2.142 4.387 1.00 0.00 C ATOM 1121 C PHE A 69 5.716 1.353 5.521 1.00 0.00 C ATOM 1122 O PHE A 69 5.193 0.329 5.960 1.00 0.00 O ATOM 1123 CB PHE A 69 4.243 3.292 4.961 1.00 0.00 C ATOM 1124 CG PHE A 69 3.843 4.289 3.925 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.694 4.104 3.177 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.625 5.403 3.685 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.329 5.013 2.208 1.00 0.00 C ATOM 1128 CE2 PHE A 69 4.266 6.320 2.717 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.115 6.126 1.977 1.00 0.00 C ATOM 0 H PHE A 69 3.706 0.568 4.095 1.00 0.00 H new ATOM 0 HA PHE A 69 5.851 2.546 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.349 2.891 5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.821 3.793 5.737 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.076 3.237 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.526 5.558 4.260 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.430 4.856 1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.884 7.188 2.538 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.831 6.842 1.220 1.00 0.00 H new ATOM 1139 N ALA A 70 6.875 1.826 5.970 1.00 0.00 N ATOM 1140 CA ALA A 70 7.625 1.160 7.032 1.00 0.00 C ATOM 1141 C ALA A 70 6.877 1.173 8.365 1.00 0.00 C ATOM 1142 O ALA A 70 6.117 2.097 8.654 1.00 0.00 O ATOM 1143 CB ALA A 70 8.991 1.813 7.192 1.00 0.00 C ATOM 0 H ALA A 70 7.318 2.673 5.613 1.00 0.00 H new ATOM 0 HA ALA A 70 7.748 0.117 6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.544 1.311 7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.545 1.732 6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.864 2.865 7.448 1.00 0.00 H new ATOM 1149 N PRO A 71 7.098 0.137 9.198 1.00 0.00 N ATOM 1150 CA PRO A 71 6.462 0.021 10.520 1.00 0.00 C ATOM 1151 C PRO A 71 6.812 1.191 11.432 1.00 0.00 C ATOM 1152 O PRO A 71 6.058 1.526 12.345 1.00 0.00 O ATOM 1153 CB PRO A 71 7.047 -1.285 11.078 1.00 0.00 C ATOM 1154 CG PRO A 71 7.490 -2.041 9.878 1.00 0.00 C ATOM 1155 CD PRO A 71 7.995 -0.999 8.928 1.00 0.00 C ATOM 0 HA PRO A 71 5.374 0.025 10.454 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.880 -1.089 11.753 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.302 -1.843 11.645 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.272 -2.758 10.129 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.667 -2.607 9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.038 -0.747 9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.931 -1.329 7.891 1.00 0.00 H new ATOM 1163 N ASP A 72 7.962 1.810 11.179 1.00 0.00 N ATOM 1164 CA ASP A 72 8.416 2.944 11.980 1.00 0.00 C ATOM 1165 C ASP A 72 7.980 4.269 11.360 1.00 0.00 C ATOM 1166 O ASP A 72 7.837 5.272 12.059 1.00 0.00 O ATOM 1167 CB ASP A 72 9.933 2.919 12.127 1.00 0.00 C ATOM 1168 CG ASP A 72 10.478 1.522 12.355 1.00 0.00 C ATOM 1169 OD1 ASP A 72 10.184 0.936 13.418 1.00 0.00 O ATOM 1170 OD2 ASP A 72 11.200 1.015 11.471 1.00 0.00 O ATOM 0 H ASP A 72 8.597 1.546 10.426 1.00 0.00 H new ATOM 0 HA ASP A 72 7.958 2.858 12.965 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.387 3.340 11.230 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.223 3.558 12.961 1.00 0.00 H new ATOM 1175 N GLY A 73 7.777 4.271 10.046 1.00 0.00 N ATOM 1176 CA GLY A 73 7.364 5.483 9.366 1.00 0.00 C ATOM 1177 C GLY A 73 8.284 5.851 8.217 1.00 0.00 C ATOM 1178 O GLY A 73 9.272 6.560 8.407 1.00 0.00 O ATOM 0 H GLY A 73 7.891 3.457 9.442 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.350 5.355 8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.336 6.305 10.081 1.00 0.00 H new ATOM 1182 N SER A 74 7.958 5.367 7.023 1.00 0.00 N ATOM 1183 CA SER A 74 8.757 5.647 5.834 1.00 0.00 C ATOM 1184 C SER A 74 8.146 4.987 4.604 1.00 0.00 C ATOM 1185 O SER A 74 7.338 4.070 4.721 1.00 0.00 O ATOM 1186 CB SER A 74 10.195 5.158 6.028 1.00 0.00 C ATOM 1187 OG SER A 74 11.017 6.186 6.555 1.00 0.00 O ATOM 0 H SER A 74 7.144 4.777 6.852 1.00 0.00 H new ATOM 0 HA SER A 74 8.768 6.726 5.681 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.203 4.301 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.599 4.818 5.074 1.00 0.00 H new ATOM 0 HG SER A 74 10.733 6.396 7.469 1.00 0.00 H new ATOM 1193 N HIS A 75 8.535 5.466 3.427 1.00 0.00 N ATOM 1194 CA HIS A 75 8.026 4.927 2.170 1.00 0.00 C ATOM 1195 C HIS A 75 8.841 3.716 1.727 1.00 0.00 C ATOM 1196 O HIS A 75 10.066 3.786 1.627 1.00 0.00 O ATOM 1197 CB HIS A 75 8.066 6.008 1.089 1.00 0.00 C ATOM 1198 CG HIS A 75 7.154 5.741 -0.067 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.282 6.343 -1.299 1.00 0.00 N ATOM 1200 CD2 HIS A 75 6.078 4.921 -0.160 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.300 5.881 -2.084 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.542 5.015 -1.441 1.00 0.00 N ATOM 0 H HIS A 75 9.203 6.229 3.317 1.00 0.00 H new ATOM 0 HA HIS A 75 6.995 4.607 2.324 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.800 6.966 1.536 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.087 6.102 0.720 1.00 0.00 H new ATOM 0 HD1 HIS A 75 7.997 7.020 -1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.698 4.295 0.633 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.149 6.179 -3.111 1.00 0.00 H new ATOM 1210 N ILE A 76 8.156 2.606 1.463 1.00 0.00 N ATOM 1211 CA ILE A 76 8.828 1.383 1.029 1.00 0.00 C ATOM 1212 C ILE A 76 8.702 1.195 -0.478 1.00 0.00 C ATOM 1213 O ILE A 76 9.675 0.864 -1.156 1.00 0.00 O ATOM 1214 CB ILE A 76 8.259 0.134 1.729 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.227 0.329 3.245 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.079 -1.096 1.368 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.220 -0.563 3.939 1.00 0.00 C ATOM 0 H ILE A 76 7.142 2.528 1.541 1.00 0.00 H new ATOM 0 HA ILE A 76 9.877 1.495 1.302 1.00 0.00 H new ATOM 0 HB ILE A 76 7.236 -0.016 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.219 0.131 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.994 1.370 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.664 -1.970 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.049 -1.249 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.112 -0.951 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.247 -0.376 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.221 -0.349 3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.466 -1.607 3.747 1.00 0.00 H new ATOM 1229 N GLY A 77 7.495 1.397 -0.997 1.00 0.00 N ATOM 1230 CA GLY A 77 7.267 1.237 -2.421 1.00 0.00 C ATOM 1231 C GLY A 77 6.127 0.289 -2.733 1.00 0.00 C ATOM 1232 O GLY A 77 5.193 0.145 -1.944 1.00 0.00 O ATOM 0 H GLY A 77 6.673 1.668 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.054 2.211 -2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.179 0.868 -2.891 1.00 0.00 H new ATOM 1236 N GLY A 78 6.202 -0.344 -3.897 1.00 0.00 N ATOM 1237 CA GLY A 78 5.166 -1.273 -4.313 1.00 0.00 C ATOM 1238 C GLY A 78 5.417 -2.691 -3.831 1.00 0.00 C ATOM 1239 O GLY A 78 5.961 -2.899 -2.746 1.00 0.00 O ATOM 0 H GLY A 78 6.965 -0.230 -4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.204 -0.930 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.098 -1.271 -5.401 1.00 0.00 H new ATOM 1243 N PHE A 79 5.014 -3.673 -4.638 1.00 0.00 N ATOM 1244 CA PHE A 79 5.193 -5.078 -4.282 1.00 0.00 C ATOM 1245 C PHE A 79 6.658 -5.493 -4.380 1.00 0.00 C ATOM 1246 O PHE A 79 7.315 -5.721 -3.365 1.00 0.00 O ATOM 1247 CB PHE A 79 4.341 -5.971 -5.188 1.00 0.00 C ATOM 1248 CG PHE A 79 4.427 -7.430 -4.836 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.323 -7.845 -3.518 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.614 -8.384 -5.824 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.406 -9.185 -3.190 1.00 0.00 C ATOM 1252 CE2 PHE A 79 4.700 -9.727 -5.502 1.00 0.00 C ATOM 1253 CZ PHE A 79 4.595 -10.127 -4.184 1.00 0.00 C ATOM 0 H PHE A 79 4.563 -3.521 -5.540 1.00 0.00 H new ATOM 0 HA PHE A 79 4.870 -5.201 -3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.301 -5.651 -5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.657 -5.835 -6.222 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.175 -7.113 -2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.693 -8.076 -6.856 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.323 -9.496 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.849 -10.461 -6.280 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.661 -11.175 -3.930 1.00 0.00 H new ATOM 1263 N ASP A 80 7.167 -5.587 -5.607 1.00 0.00 N ATOM 1264 CA ASP A 80 8.559 -5.972 -5.829 1.00 0.00 C ATOM 1265 C ASP A 80 9.497 -5.041 -5.073 1.00 0.00 C ATOM 1266 O ASP A 80 10.446 -5.483 -4.421 1.00 0.00 O ATOM 1267 CB ASP A 80 8.888 -5.947 -7.322 1.00 0.00 C ATOM 1268 CG ASP A 80 10.148 -6.724 -7.647 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.252 -6.164 -7.480 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.032 -7.893 -8.072 1.00 0.00 O ATOM 0 H ASP A 80 6.638 -5.403 -6.460 1.00 0.00 H new ATOM 0 HA ASP A 80 8.697 -6.987 -5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.052 -6.364 -7.883 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.007 -4.914 -7.648 1.00 0.00 H new ATOM 1275 N GLN A 81 9.217 -3.745 -5.154 1.00 0.00 N ATOM 1276 CA GLN A 81 10.025 -2.748 -4.467 1.00 0.00 C ATOM 1277 C GLN A 81 10.156 -3.109 -2.995 1.00 0.00 C ATOM 1278 O GLN A 81 11.227 -2.980 -2.402 1.00 0.00 O ATOM 1279 CB GLN A 81 9.393 -1.365 -4.605 1.00 0.00 C ATOM 1280 CG GLN A 81 9.623 -0.722 -5.962 1.00 0.00 C ATOM 1281 CD GLN A 81 8.993 -1.507 -7.095 1.00 0.00 C ATOM 1282 OE1 GLN A 81 7.777 -1.704 -7.129 1.00 0.00 O ATOM 1283 NE2 GLN A 81 9.818 -1.961 -8.031 1.00 0.00 N ATOM 0 H GLN A 81 8.437 -3.362 -5.688 1.00 0.00 H new ATOM 0 HA GLN A 81 11.015 -2.730 -4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.321 -1.446 -4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.795 -0.712 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.215 0.289 -5.955 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.695 -0.632 -6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.818 -1.774 -7.963 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.451 -2.496 -8.818 1.00 0.00 H new ATOM 1292 N LEU A 82 9.054 -3.572 -2.416 1.00 0.00 N ATOM 1293 CA LEU A 82 9.043 -3.964 -1.017 1.00 0.00 C ATOM 1294 C LEU A 82 9.773 -5.284 -0.807 1.00 0.00 C ATOM 1295 O LEU A 82 10.396 -5.489 0.231 1.00 0.00 O ATOM 1296 CB LEU A 82 7.627 -4.068 -0.480 1.00 0.00 C ATOM 1297 CG LEU A 82 7.575 -4.530 0.968 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.527 -3.769 1.751 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.331 -6.019 1.022 1.00 0.00 C ATOM 0 H LEU A 82 8.160 -3.684 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 82 9.566 -3.184 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.140 -3.096 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.060 -4.763 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 82 8.537 -4.319 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.515 -4.123 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.762 -2.705 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.548 -3.931 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.295 -6.344 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.383 -6.250 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.139 -6.539 0.507 1.00 0.00 H new ATOM 1311 N ARG A 83 9.724 -6.174 -1.795 1.00 0.00 N ATOM 1312 CA ARG A 83 10.423 -7.451 -1.681 1.00 0.00 C ATOM 1313 C ARG A 83 11.870 -7.184 -1.297 1.00 0.00 C ATOM 1314 O ARG A 83 12.469 -7.928 -0.521 1.00 0.00 O ATOM 1315 CB ARG A 83 10.351 -8.227 -2.999 1.00 0.00 C ATOM 1316 CG ARG A 83 8.947 -8.687 -3.356 1.00 0.00 C ATOM 1317 CD ARG A 83 8.661 -10.074 -2.805 1.00 0.00 C ATOM 1318 NE ARG A 83 9.243 -11.124 -3.639 1.00 0.00 N ATOM 1319 CZ ARG A 83 8.821 -11.414 -4.867 1.00 0.00 C ATOM 1320 NH1 ARG A 83 7.814 -10.740 -5.407 1.00 0.00 N ATOM 1321 NH2 ARG A 83 9.410 -12.380 -5.558 1.00 0.00 N ATOM 0 H ARG A 83 9.217 -6.039 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 83 9.946 -8.059 -0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.734 -7.598 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.005 -9.097 -2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.219 -7.979 -2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.829 -8.693 -4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.059 -10.152 -1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.583 -10.222 -2.735 1.00 0.00 H new ATOM 0 HE ARG A 83 10.018 -11.666 -3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.359 -9.995 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.495 -10.967 -6.349 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.186 -12.900 -5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.087 -12.603 -6.500 1.00 0.00 H new ATOM 1335 N GLU A 84 12.408 -6.082 -1.818 1.00 0.00 N ATOM 1336 CA GLU A 84 13.768 -5.678 -1.499 1.00 0.00 C ATOM 1337 C GLU A 84 13.844 -5.324 -0.019 1.00 0.00 C ATOM 1338 O GLU A 84 14.844 -5.584 0.647 1.00 0.00 O ATOM 1339 CB GLU A 84 14.192 -4.482 -2.354 1.00 0.00 C ATOM 1340 CG GLU A 84 15.654 -4.516 -2.766 1.00 0.00 C ATOM 1341 CD GLU A 84 15.875 -3.997 -4.173 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.403 -4.651 -5.127 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.520 -2.938 -4.321 1.00 0.00 O ATOM 0 H GLU A 84 11.921 -5.457 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 84 14.449 -6.502 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.572 -4.448 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.001 -3.563 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.239 -3.919 -2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.023 -5.539 -2.698 1.00 0.00 H new ATOM 1350 N TYR A 85 12.752 -4.755 0.492 1.00 0.00 N ATOM 1351 CA TYR A 85 12.656 -4.396 1.897 1.00 0.00 C ATOM 1352 C TYR A 85 12.776 -5.657 2.742 1.00 0.00 C ATOM 1353 O TYR A 85 13.357 -5.647 3.827 1.00 0.00 O ATOM 1354 CB TYR A 85 11.311 -3.711 2.153 1.00 0.00 C ATOM 1355 CG TYR A 85 11.211 -3.004 3.482 1.00 0.00 C ATOM 1356 CD1 TYR A 85 10.810 -3.687 4.623 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.499 -1.651 3.593 1.00 0.00 C ATOM 1358 CE1 TYR A 85 10.703 -3.041 5.839 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.394 -0.996 4.803 1.00 0.00 C ATOM 1360 CZ TYR A 85 10.996 -1.695 5.925 1.00 0.00 C ATOM 1361 OH TYR A 85 10.889 -1.046 7.133 1.00 0.00 O ATOM 0 H TYR A 85 11.920 -4.534 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 85 13.459 -3.709 2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.128 -2.989 1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.520 -4.458 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.578 -4.740 4.558 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.811 -1.101 2.717 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.392 -3.586 6.718 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.622 0.057 4.872 1.00 0.00 H new ATOM 0 HH TYR A 85 11.132 -0.103 7.021 1.00 0.00 H new ATOM 1371 N PHE A 86 12.224 -6.747 2.213 1.00 0.00 N ATOM 1372 CA PHE A 86 12.248 -8.045 2.879 1.00 0.00 C ATOM 1373 C PHE A 86 13.463 -8.879 2.469 1.00 0.00 C ATOM 1374 O PHE A 86 13.734 -9.921 3.066 1.00 0.00 O ATOM 1375 CB PHE A 86 10.953 -8.804 2.573 1.00 0.00 C ATOM 1376 CG PHE A 86 9.817 -8.411 3.472 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.003 -8.334 4.843 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.574 -8.102 2.951 1.00 0.00 C ATOM 1379 CE1 PHE A 86 8.970 -7.952 5.675 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.536 -7.724 3.781 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.735 -7.647 5.142 1.00 0.00 C ATOM 0 H PHE A 86 11.748 -6.754 1.311 1.00 0.00 H new ATOM 0 HA PHE A 86 12.326 -7.870 3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.668 -8.623 1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.134 -9.874 2.672 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.967 -8.576 5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.413 -8.157 1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.129 -7.892 6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.568 -7.489 3.363 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.925 -7.348 5.791 1.00 0.00 H new ATOM 1391 N LYS A 87 14.193 -8.422 1.453 1.00 0.00 N ATOM 1392 CA LYS A 87 15.376 -9.140 0.984 1.00 0.00 C ATOM 1393 C LYS A 87 16.429 -8.170 0.453 1.00 0.00 C ATOM 1394 O LYS A 87 16.998 -8.441 -0.627 1.00 0.00 O ATOM 1395 CB LYS A 87 14.989 -10.159 -0.097 1.00 0.00 C ATOM 1396 CG LYS A 87 14.655 -9.536 -1.445 1.00 0.00 C ATOM 1397 CD LYS A 87 13.452 -10.208 -2.088 1.00 0.00 C ATOM 1398 CE LYS A 87 13.323 -9.833 -3.555 1.00 0.00 C ATOM 1399 NZ LYS A 87 14.384 -10.468 -4.387 1.00 0.00 N ATOM 1400 OXT LYS A 87 16.680 -7.146 1.124 1.00 0.00 O ATOM 0 H LYS A 87 13.988 -7.563 0.942 1.00 0.00 H new ATOM 0 HA LYS A 87 15.807 -9.676 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.810 -10.864 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.129 -10.732 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.453 -8.473 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.516 -9.618 -2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.545 -11.290 -1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.545 -9.919 -1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.343 -10.137 -3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.380 -8.749 -3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.115 -10.418 -5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.284 -9.966 -4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.495 -11.464 -4.108 1.00 0.00 H new