USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 581 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 37 THR OG1 : rot 150:sc= 0 USER MOD Set 1.2: A 39 HIS : no HD1:sc=-0.00196 X(o=-0.002,f=-0.061) USER MOD Set 2.1: A 34 TYR OH : rot -127:sc= 1.18 USER MOD Set 2.2: A 55 ASN : amide:sc= 1.06 K(o=2.2,f=1.4) USER MOD Set 3.1: A 9 TYR OH : rot 180:sc= 0.0407 USER MOD Set 3.2: A 19 LYS NZ :NH3+ -108:sc= 0.0422 (180deg=-0.0745) USER MOD Set 4.1: A 4 HIS : no HD1:sc= 1.11 K(o=1.1,f=-4.3!) USER MOD Set 4.2: A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 1:sc= 0.321 USER MOD Single : A 13 ASN : amide:sc= 0.982 K(o=0.98,f=-0.0083) USER MOD Single : A 14 ASN : amide:sc= -2.19! C(o=-2.2!,f=-6.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -109:sc= 1.23 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 1.07 (180deg=0.896) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 30 SER OG : rot -8:sc= 1.16 USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 1.19 (180deg=0.9) USER MOD Single : A 38 SER OG : rot 103:sc= 0.564 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.747 K(o=-0.75,f=-5.6!) USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= 0.863 (180deg=0.0563) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 1.15 (180deg=1.03) USER MOD Single : A 53 MET CE :methyl 165:sc= -0.0609 (180deg=-0.379) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 73:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 61 N HIS A 4 -2.508 15.975 -7.702 1.00 0.00 N ATOM 62 CA HIS A 4 -3.036 14.773 -8.313 1.00 0.00 C ATOM 63 C HIS A 4 -2.746 13.576 -7.446 1.00 0.00 C ATOM 64 O HIS A 4 -3.622 12.771 -7.189 1.00 0.00 O ATOM 65 CB HIS A 4 -2.493 14.572 -9.733 1.00 0.00 C ATOM 66 CG HIS A 4 -3.345 13.661 -10.579 1.00 0.00 C ATOM 67 ND1 HIS A 4 -2.918 12.457 -11.097 1.00 0.00 N ATOM 68 CD2 HIS A 4 -4.613 13.820 -11.018 1.00 0.00 C ATOM 69 CE1 HIS A 4 -3.897 11.921 -11.814 1.00 0.00 C ATOM 70 NE2 HIS A 4 -4.928 12.736 -11.773 1.00 0.00 N ATOM 0 HA HIS A 4 -4.117 14.887 -8.398 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.414 15.542 -10.224 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.485 14.162 -9.673 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.260 14.659 -10.806 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.855 10.979 -12.340 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -5.823 12.579 -12.235 1.00 0.00 H new ATOM 79 N GLY A 5 -1.535 13.474 -6.985 1.00 0.00 N ATOM 80 CA GLY A 5 -1.172 12.381 -6.150 1.00 0.00 C ATOM 81 C GLY A 5 -0.713 12.839 -4.797 1.00 0.00 C ATOM 82 O GLY A 5 0.066 13.797 -4.686 1.00 0.00 O ATOM 0 H GLY A 5 -0.785 14.138 -7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.025 11.712 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.378 11.807 -6.628 1.00 0.00 H new ATOM 86 N LYS A 6 -1.210 12.199 -3.777 1.00 0.00 N ATOM 87 CA LYS A 6 -0.810 12.481 -2.419 1.00 0.00 C ATOM 88 C LYS A 6 -0.140 11.270 -1.842 1.00 0.00 C ATOM 89 O LYS A 6 -0.432 10.144 -2.243 1.00 0.00 O ATOM 90 CB LYS A 6 -1.993 12.875 -1.522 1.00 0.00 C ATOM 91 CG LYS A 6 -2.637 14.215 -1.837 1.00 0.00 C ATOM 92 CD LYS A 6 -3.668 14.563 -0.772 1.00 0.00 C ATOM 93 CE LYS A 6 -4.270 15.943 -0.985 1.00 0.00 C ATOM 94 NZ LYS A 6 -5.189 16.322 0.119 1.00 0.00 N ATOM 0 H LYS A 6 -1.909 11.461 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.127 13.330 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.755 12.099 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.652 12.890 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.874 14.992 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.113 14.177 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.462 13.817 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.200 14.520 0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.471 16.680 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.812 15.961 -1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.579 17.269 -0.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.966 15.633 0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.667 16.330 1.018 1.00 0.00 H new ATOM 108 N TYR A 7 0.750 11.485 -0.934 1.00 0.00 N ATOM 109 CA TYR A 7 1.432 10.405 -0.296 1.00 0.00 C ATOM 110 C TYR A 7 0.903 10.184 1.095 1.00 0.00 C ATOM 111 O TYR A 7 0.965 11.078 1.954 1.00 0.00 O ATOM 112 CB TYR A 7 2.938 10.637 -0.260 1.00 0.00 C ATOM 113 CG TYR A 7 3.628 10.499 -1.595 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.112 9.265 -2.005 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.811 11.587 -2.435 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.756 9.114 -3.207 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.455 11.443 -3.648 1.00 0.00 C ATOM 118 CZ TYR A 7 4.927 10.201 -4.025 1.00 0.00 C ATOM 119 OH TYR A 7 5.554 10.044 -5.237 1.00 0.00 O ATOM 0 H TYR A 7 1.027 12.412 -0.611 1.00 0.00 H new ATOM 0 HA TYR A 7 1.245 9.508 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.129 11.636 0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.384 9.930 0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.979 8.406 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.445 12.559 -2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.126 8.145 -3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.589 12.296 -4.297 1.00 0.00 H new ATOM 0 HH TYR A 7 5.797 9.103 -5.360 1.00 0.00 H new ATOM 129 N VAL A 8 0.372 9.027 1.314 1.00 0.00 N ATOM 130 CA VAL A 8 -0.103 8.629 2.620 1.00 0.00 C ATOM 131 C VAL A 8 0.554 7.303 2.955 1.00 0.00 C ATOM 132 O VAL A 8 1.390 6.815 2.179 1.00 0.00 O ATOM 133 CB VAL A 8 -1.667 8.517 2.707 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.348 9.843 2.383 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.204 7.418 1.815 1.00 0.00 C ATOM 0 H VAL A 8 0.249 8.317 0.592 1.00 0.00 H new ATOM 0 HA VAL A 8 0.167 9.400 3.342 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.902 8.258 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.429 9.724 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.019 10.603 3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.083 10.151 1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.289 7.374 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.934 7.625 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.776 6.462 2.117 1.00 0.00 H new ATOM 145 N TYR A 9 0.220 6.721 4.065 1.00 0.00 N ATOM 146 CA TYR A 9 0.832 5.472 4.437 1.00 0.00 C ATOM 147 C TYR A 9 -0.213 4.421 4.637 1.00 0.00 C ATOM 148 O TYR A 9 -1.317 4.715 5.078 1.00 0.00 O ATOM 149 CB TYR A 9 1.695 5.624 5.697 1.00 0.00 C ATOM 150 CG TYR A 9 2.859 6.573 5.526 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.697 7.931 5.739 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.113 6.117 5.145 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.736 8.809 5.575 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.167 6.996 4.983 1.00 0.00 C ATOM 155 CZ TYR A 9 4.968 8.344 5.197 1.00 0.00 C ATOM 156 OH TYR A 9 6.007 9.234 5.022 1.00 0.00 O ATOM 0 H TYR A 9 -0.466 7.082 4.728 1.00 0.00 H new ATOM 0 HA TYR A 9 1.488 5.164 3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.068 5.976 6.516 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.076 4.644 5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.731 8.307 6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.267 5.062 4.973 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.584 9.865 5.743 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.140 6.630 4.691 1.00 0.00 H new ATOM 0 HH TYR A 9 6.814 8.746 4.755 1.00 0.00 H new ATOM 166 N ILE A 10 0.097 3.217 4.271 1.00 0.00 N ATOM 167 CA ILE A 10 -0.821 2.131 4.488 1.00 0.00 C ATOM 168 C ILE A 10 -0.501 1.457 5.792 1.00 0.00 C ATOM 169 O ILE A 10 0.667 1.113 6.064 1.00 0.00 O ATOM 170 CB ILE A 10 -0.841 1.090 3.323 1.00 0.00 C ATOM 171 CG1 ILE A 10 -1.268 1.749 2.013 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.731 -0.119 3.634 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.564 2.531 2.113 1.00 0.00 C ATOM 0 H ILE A 10 0.975 2.956 3.821 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.822 2.561 4.522 1.00 0.00 H new ATOM 0 HB ILE A 10 0.178 0.718 3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.476 2.419 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.377 0.979 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.710 -0.812 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.362 -0.622 4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.754 0.216 3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.800 2.969 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.370 1.862 2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.454 3.324 2.852 1.00 0.00 H new ATOM 185 N ASP A 11 -1.522 1.295 6.602 1.00 0.00 N ATOM 186 CA ASP A 11 -1.414 0.664 7.887 1.00 0.00 C ATOM 187 C ASP A 11 -1.238 -0.816 7.719 1.00 0.00 C ATOM 188 O ASP A 11 -2.202 -1.581 7.607 1.00 0.00 O ATOM 189 CB ASP A 11 -2.610 1.004 8.807 1.00 0.00 C ATOM 190 CG ASP A 11 -2.605 0.249 10.135 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.690 0.459 10.964 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.547 -0.563 10.381 1.00 0.00 O ATOM 0 H ASP A 11 -2.467 1.606 6.377 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.529 1.060 8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.607 2.075 9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.537 0.782 8.278 1.00 0.00 H new ATOM 197 N LEU A 12 0.003 -1.185 7.546 1.00 0.00 N ATOM 198 CA LEU A 12 0.411 -2.563 7.484 1.00 0.00 C ATOM 199 C LEU A 12 0.365 -3.086 8.895 1.00 0.00 C ATOM 200 O LEU A 12 -0.017 -4.240 9.153 1.00 0.00 O ATOM 201 CB LEU A 12 1.846 -2.641 6.972 1.00 0.00 C ATOM 202 CG LEU A 12 2.145 -1.977 5.630 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.638 -2.033 5.339 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.357 -2.644 4.510 1.00 0.00 C ATOM 0 H LEU A 12 0.773 -0.524 7.442 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.234 -3.139 6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.497 -2.194 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.121 -3.693 6.897 1.00 0.00 H new ATOM 0 HG LEU A 12 1.838 -0.933 5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.840 -1.557 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.182 -1.510 6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.963 -3.073 5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.585 -2.155 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.631 -3.697 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.290 -2.558 4.715 1.00 0.00 H new ATOM 216 N ASN A 13 0.814 -2.199 9.800 1.00 0.00 N ATOM 217 CA ASN A 13 0.799 -2.369 11.259 1.00 0.00 C ATOM 218 C ASN A 13 1.729 -3.510 11.691 1.00 0.00 C ATOM 219 O ASN A 13 1.753 -3.928 12.837 1.00 0.00 O ATOM 220 CB ASN A 13 -0.646 -2.591 11.748 1.00 0.00 C ATOM 221 CG ASN A 13 -0.863 -2.203 13.191 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.709 -3.004 14.112 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.272 -0.974 13.396 1.00 0.00 N ATOM 0 H ASN A 13 1.215 -1.304 9.519 1.00 0.00 H new ATOM 0 HA ASN A 13 1.177 -1.459 11.724 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.326 -2.015 11.120 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.906 -3.642 11.620 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.474 -0.655 14.344 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.388 -0.337 12.608 1.00 0.00 H new ATOM 230 N ASN A 14 2.552 -3.939 10.769 1.00 0.00 N ATOM 231 CA ASN A 14 3.464 -5.061 10.957 1.00 0.00 C ATOM 232 C ASN A 14 4.880 -4.592 11.309 1.00 0.00 C ATOM 233 O ASN A 14 5.849 -5.327 11.146 1.00 0.00 O ATOM 234 CB ASN A 14 3.467 -5.958 9.699 1.00 0.00 C ATOM 235 CG ASN A 14 3.790 -5.211 8.408 1.00 0.00 C ATOM 236 OD1 ASN A 14 4.514 -4.223 8.407 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.222 -5.650 7.316 1.00 0.00 N ATOM 0 H ASN A 14 2.616 -3.516 9.843 1.00 0.00 H new ATOM 0 HA ASN A 14 3.108 -5.648 11.803 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.195 -6.758 9.837 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.490 -6.430 9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.377 -5.167 6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.624 -6.476 7.349 1.00 0.00 H new ATOM 244 N GLY A 15 4.987 -3.375 11.796 1.00 0.00 N ATOM 245 CA GLY A 15 6.271 -2.829 12.177 1.00 0.00 C ATOM 246 C GLY A 15 6.807 -1.854 11.156 1.00 0.00 C ATOM 247 O GLY A 15 7.731 -1.095 11.439 1.00 0.00 O ATOM 0 H GLY A 15 4.198 -2.744 11.938 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.178 -2.328 13.141 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.984 -3.643 12.308 1.00 0.00 H new ATOM 251 N LYS A 16 6.225 -1.860 9.983 1.00 0.00 N ATOM 252 CA LYS A 16 6.582 -0.924 8.950 1.00 0.00 C ATOM 253 C LYS A 16 5.340 -0.419 8.267 1.00 0.00 C ATOM 254 O LYS A 16 4.255 -0.999 8.432 1.00 0.00 O ATOM 255 CB LYS A 16 7.613 -1.475 7.914 1.00 0.00 C ATOM 256 CG LYS A 16 7.299 -2.825 7.245 1.00 0.00 C ATOM 257 CD LYS A 16 7.683 -4.009 8.134 1.00 0.00 C ATOM 258 CE LYS A 16 7.447 -5.345 7.432 1.00 0.00 C ATOM 259 NZ LYS A 16 7.863 -6.499 8.265 1.00 0.00 N ATOM 0 H LYS A 16 5.490 -2.515 9.718 1.00 0.00 H new ATOM 0 HA LYS A 16 7.094 -0.098 9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.730 -0.729 7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.577 -1.564 8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.235 -2.876 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.835 -2.894 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.733 -3.927 8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.102 -3.975 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.390 -5.441 7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.998 -5.361 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.684 -7.383 7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.878 -6.423 8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.320 -6.501 9.152 1.00 0.00 H new ATOM 273 N TYR A 17 5.477 0.666 7.560 1.00 0.00 N ATOM 274 CA TYR A 17 4.390 1.275 6.827 1.00 0.00 C ATOM 275 C TYR A 17 4.837 1.549 5.423 1.00 0.00 C ATOM 276 O TYR A 17 5.997 1.880 5.196 1.00 0.00 O ATOM 277 CB TYR A 17 3.910 2.577 7.501 1.00 0.00 C ATOM 278 CG TYR A 17 2.991 2.374 8.696 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.451 1.824 9.877 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.652 2.722 8.622 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.609 1.627 10.953 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.806 2.529 9.690 1.00 0.00 C ATOM 283 CZ TYR A 17 1.285 1.981 10.852 1.00 0.00 C ATOM 284 OH TYR A 17 0.434 1.784 11.922 1.00 0.00 O ATOM 0 H TYR A 17 6.362 1.166 7.471 1.00 0.00 H new ATOM 0 HA TYR A 17 3.547 0.584 6.819 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.782 3.146 7.823 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.390 3.184 6.759 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.490 1.543 9.960 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.265 3.152 7.710 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.988 1.197 11.868 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.234 2.809 9.613 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.185 1.052 11.717 1.00 0.00 H new ATOM 294 N VAL A 18 3.948 1.402 4.492 1.00 0.00 N ATOM 295 CA VAL A 18 4.276 1.630 3.112 1.00 0.00 C ATOM 296 C VAL A 18 3.784 2.991 2.693 1.00 0.00 C ATOM 297 O VAL A 18 2.658 3.390 3.030 1.00 0.00 O ATOM 298 CB VAL A 18 3.736 0.496 2.167 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.258 0.297 2.337 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.051 0.783 0.710 1.00 0.00 C ATOM 0 H VAL A 18 2.981 1.123 4.660 1.00 0.00 H new ATOM 0 HA VAL A 18 5.361 1.602 3.014 1.00 0.00 H new ATOM 0 HB VAL A 18 4.248 -0.422 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.918 -0.494 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.045 0.017 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.736 1.223 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.662 -0.023 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.587 1.724 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.131 0.854 0.578 1.00 0.00 H new ATOM 310 N LYS A 19 4.636 3.715 2.017 1.00 0.00 N ATOM 311 CA LYS A 19 4.313 5.027 1.565 1.00 0.00 C ATOM 312 C LYS A 19 3.651 4.889 0.216 1.00 0.00 C ATOM 313 O LYS A 19 4.300 4.564 -0.786 1.00 0.00 O ATOM 314 CB LYS A 19 5.577 5.878 1.454 1.00 0.00 C ATOM 315 CG LYS A 19 5.307 7.345 1.179 1.00 0.00 C ATOM 316 CD LYS A 19 6.595 8.094 0.906 1.00 0.00 C ATOM 317 CE LYS A 19 6.350 9.578 0.704 1.00 0.00 C ATOM 318 NZ LYS A 19 5.944 10.256 1.961 1.00 0.00 N ATOM 0 H LYS A 19 5.575 3.403 1.767 1.00 0.00 H new ATOM 0 HA LYS A 19 3.645 5.521 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.145 5.790 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.204 5.478 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.638 7.441 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.797 7.791 2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.284 7.949 1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.075 7.681 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.256 10.045 0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.574 9.717 -0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.935 10.504 1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.105 9.619 2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.507 11.121 2.086 1.00 0.00 H new ATOM 332 N VAL A 20 2.385 5.108 0.192 1.00 0.00 N ATOM 333 CA VAL A 20 1.621 4.909 -0.990 1.00 0.00 C ATOM 334 C VAL A 20 1.226 6.248 -1.597 1.00 0.00 C ATOM 335 O VAL A 20 0.916 7.222 -0.891 1.00 0.00 O ATOM 336 CB VAL A 20 0.364 4.035 -0.701 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.574 4.728 0.254 1.00 0.00 C ATOM 338 CG2 VAL A 20 -0.360 3.620 -1.981 1.00 0.00 C ATOM 0 H VAL A 20 1.846 5.432 0.995 1.00 0.00 H new ATOM 0 HA VAL A 20 2.238 4.374 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 20 0.717 3.120 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.442 4.094 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.059 4.918 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.900 5.674 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.229 3.013 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.685 4.510 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.316 3.041 -2.610 1.00 0.00 H new ATOM 348 N ARG A 21 1.292 6.308 -2.880 1.00 0.00 N ATOM 349 CA ARG A 21 0.892 7.457 -3.607 1.00 0.00 C ATOM 350 C ARG A 21 -0.515 7.220 -4.111 1.00 0.00 C ATOM 351 O ARG A 21 -0.761 6.308 -4.910 1.00 0.00 O ATOM 352 CB ARG A 21 1.869 7.715 -4.753 1.00 0.00 C ATOM 353 CG ARG A 21 1.542 8.901 -5.643 1.00 0.00 C ATOM 354 CD ARG A 21 2.636 9.081 -6.678 1.00 0.00 C ATOM 355 NE ARG A 21 2.375 10.180 -7.614 1.00 0.00 N ATOM 356 CZ ARG A 21 3.328 10.969 -8.140 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.572 10.928 -7.676 1.00 0.00 N ATOM 358 NH2 ARG A 21 3.023 11.822 -9.091 1.00 0.00 N ATOM 0 H ARG A 21 1.632 5.544 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 21 0.901 8.344 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.863 7.864 -4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.916 6.820 -5.374 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.583 8.744 -6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.446 9.804 -5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.582 9.264 -6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.751 8.154 -7.240 1.00 0.00 H new ATOM 0 HE ARG A 21 1.407 10.357 -7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.811 10.294 -6.914 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.288 11.531 -8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.063 11.886 -9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.746 12.421 -9.490 1.00 0.00 H new ATOM 372 N ILE A 22 -1.420 7.986 -3.601 1.00 0.00 N ATOM 373 CA ILE A 22 -2.802 7.885 -3.956 1.00 0.00 C ATOM 374 C ILE A 22 -3.053 8.875 -5.051 1.00 0.00 C ATOM 375 O ILE A 22 -2.901 10.091 -4.838 1.00 0.00 O ATOM 376 CB ILE A 22 -3.717 8.248 -2.758 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.348 7.433 -1.507 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.189 8.053 -3.121 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.480 5.933 -1.656 1.00 0.00 C ATOM 0 H ILE A 22 -1.220 8.713 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.023 6.863 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.560 9.301 -2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.320 7.666 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.981 7.758 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.812 8.314 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.444 8.695 -3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.362 7.012 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.197 5.448 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.512 5.681 -1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.825 5.588 -2.456 1.00 0.00 H new ATOM 391 N LEU A 23 -3.377 8.397 -6.210 1.00 0.00 N ATOM 392 CA LEU A 23 -3.664 9.279 -7.287 1.00 0.00 C ATOM 393 C LEU A 23 -5.133 9.586 -7.244 1.00 0.00 C ATOM 394 O LEU A 23 -5.973 8.742 -7.571 1.00 0.00 O ATOM 395 CB LEU A 23 -3.323 8.625 -8.626 1.00 0.00 C ATOM 396 CG LEU A 23 -1.907 8.063 -8.777 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.750 7.376 -10.122 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.879 9.159 -8.625 1.00 0.00 C ATOM 0 H LEU A 23 -3.448 7.404 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.069 10.187 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.031 7.814 -8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.483 9.361 -9.414 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.745 7.328 -7.989 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.738 6.982 -10.213 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.466 6.558 -10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.933 8.094 -10.921 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.120 8.738 -8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.040 9.918 -9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.974 9.613 -7.639 1.00 0.00 H new ATOM 410 N LYS A 24 -5.443 10.777 -6.876 1.00 0.00 N ATOM 411 CA LYS A 24 -6.794 11.200 -6.812 1.00 0.00 C ATOM 412 C LYS A 24 -7.104 11.800 -8.139 1.00 0.00 C ATOM 413 O LYS A 24 -6.640 12.910 -8.479 1.00 0.00 O ATOM 414 CB LYS A 24 -6.989 12.204 -5.676 1.00 0.00 C ATOM 415 CG LYS A 24 -6.720 11.622 -4.296 1.00 0.00 C ATOM 416 CD LYS A 24 -6.829 12.681 -3.217 1.00 0.00 C ATOM 417 CE LYS A 24 -6.562 12.107 -1.834 1.00 0.00 C ATOM 418 NZ LYS A 24 -7.583 11.125 -1.408 1.00 0.00 N ATOM 0 H LYS A 24 -4.763 11.489 -6.610 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.468 10.369 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.328 13.055 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.010 12.583 -5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.430 10.820 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.724 11.180 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.119 13.483 -3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.825 13.123 -3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.582 11.630 -1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.525 12.921 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.468 10.922 -0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.532 11.515 -1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.468 10.246 -1.952 1.00 0.00 H new ATOM 432 N SER A 25 -7.852 11.087 -8.898 1.00 0.00 N ATOM 433 CA SER A 25 -8.086 11.455 -10.223 1.00 0.00 C ATOM 434 C SER A 25 -9.475 12.050 -10.376 1.00 0.00 C ATOM 435 O SER A 25 -10.465 11.355 -10.660 1.00 0.00 O ATOM 436 CB SER A 25 -7.830 10.261 -11.117 1.00 0.00 C ATOM 437 OG SER A 25 -6.550 9.710 -10.821 1.00 0.00 O ATOM 0 H SER A 25 -8.317 10.228 -8.605 1.00 0.00 H new ATOM 0 HA SER A 25 -7.398 12.242 -10.531 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.605 9.509 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.875 10.561 -12.164 1.00 0.00 H new ATOM 0 HG SER A 25 -6.385 8.936 -11.399 1.00 0.00 H new ATOM 443 N ARG A 26 -9.533 13.340 -10.123 1.00 0.00 N ATOM 444 CA ARG A 26 -10.753 14.131 -10.205 1.00 0.00 C ATOM 445 C ARG A 26 -11.037 14.376 -11.688 1.00 0.00 C ATOM 446 O ARG A 26 -12.161 14.605 -12.109 1.00 0.00 O ATOM 447 CB ARG A 26 -10.485 15.456 -9.476 1.00 0.00 C ATOM 448 CG ARG A 26 -11.679 16.121 -8.797 1.00 0.00 C ATOM 449 CD ARG A 26 -12.753 16.616 -9.748 1.00 0.00 C ATOM 450 NE ARG A 26 -13.806 17.346 -9.018 1.00 0.00 N ATOM 451 CZ ARG A 26 -14.931 17.846 -9.573 1.00 0.00 C ATOM 452 NH1 ARG A 26 -15.182 17.660 -10.864 1.00 0.00 N ATOM 453 NH2 ARG A 26 -15.796 18.528 -8.829 1.00 0.00 N ATOM 0 H ARG A 26 -8.716 13.885 -9.848 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.610 13.634 -9.750 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.719 15.279 -8.720 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.067 16.161 -10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.127 15.411 -8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.321 16.963 -8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.307 17.268 -10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.192 15.771 -10.279 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.674 17.484 -8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.523 17.137 -11.441 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.033 18.040 -11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.611 18.675 -7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.645 18.905 -9.250 1.00 0.00 H new ATOM 467 N ASP A 27 -9.971 14.308 -12.448 1.00 0.00 N ATOM 468 CA ASP A 27 -9.982 14.429 -13.896 1.00 0.00 C ATOM 469 C ASP A 27 -10.596 13.165 -14.504 1.00 0.00 C ATOM 470 O ASP A 27 -11.307 13.209 -15.519 1.00 0.00 O ATOM 471 CB ASP A 27 -8.539 14.620 -14.400 1.00 0.00 C ATOM 472 CG ASP A 27 -7.616 13.452 -14.053 1.00 0.00 C ATOM 473 OD1 ASP A 27 -7.290 13.264 -12.857 1.00 0.00 O ATOM 474 OD2 ASP A 27 -7.244 12.692 -14.952 1.00 0.00 O ATOM 0 H ASP A 27 -9.036 14.162 -12.067 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.579 15.291 -14.195 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.554 14.753 -15.482 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.131 15.536 -13.972 1.00 0.00 H new ATOM 479 N ASP A 28 -10.327 12.056 -13.856 1.00 0.00 N ATOM 480 CA ASP A 28 -10.873 10.757 -14.220 1.00 0.00 C ATOM 481 C ASP A 28 -12.343 10.758 -13.877 1.00 0.00 C ATOM 482 O ASP A 28 -13.201 10.534 -14.730 1.00 0.00 O ATOM 483 CB ASP A 28 -10.151 9.692 -13.400 1.00 0.00 C ATOM 484 CG ASP A 28 -10.607 8.285 -13.640 1.00 0.00 C ATOM 485 OD1 ASP A 28 -11.510 7.817 -12.949 1.00 0.00 O ATOM 486 OD2 ASP A 28 -9.988 7.593 -14.483 1.00 0.00 O ATOM 0 H ASP A 28 -9.711 12.024 -13.044 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.742 10.553 -15.283 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.084 9.753 -13.614 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.278 9.923 -12.342 1.00 0.00 H new ATOM 491 N ASN A 29 -12.601 11.067 -12.627 1.00 0.00 N ATOM 492 CA ASN A 29 -13.928 11.183 -12.061 1.00 0.00 C ATOM 493 C ASN A 29 -13.773 11.602 -10.610 1.00 0.00 C ATOM 494 O ASN A 29 -13.860 12.786 -10.280 1.00 0.00 O ATOM 495 CB ASN A 29 -14.724 9.854 -12.178 1.00 0.00 C ATOM 496 CG ASN A 29 -16.104 9.911 -11.542 1.00 0.00 C ATOM 497 OD1 ASN A 29 -16.730 10.968 -11.457 1.00 0.00 O ATOM 498 ND2 ASN A 29 -16.603 8.779 -11.137 1.00 0.00 N ATOM 0 H ASN A 29 -11.863 11.252 -11.948 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.500 11.928 -12.614 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.829 9.595 -13.232 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.150 9.054 -11.709 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.540 8.749 -10.735 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.057 7.922 -11.222 1.00 0.00 H new ATOM 505 N SER A 30 -13.500 10.636 -9.761 1.00 0.00 N ATOM 506 CA SER A 30 -13.217 10.843 -8.338 1.00 0.00 C ATOM 507 C SER A 30 -12.591 9.568 -7.792 1.00 0.00 C ATOM 508 O SER A 30 -12.511 9.340 -6.576 1.00 0.00 O ATOM 509 CB SER A 30 -14.498 11.195 -7.544 1.00 0.00 C ATOM 510 OG SER A 30 -15.077 12.423 -7.979 1.00 0.00 O ATOM 0 H SER A 30 -13.465 9.655 -10.038 1.00 0.00 H new ATOM 0 HA SER A 30 -12.534 11.685 -8.227 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.226 10.391 -7.656 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.259 11.263 -6.483 1.00 0.00 H new ATOM 0 HG SER A 30 -14.468 12.868 -8.605 1.00 0.00 H new ATOM 516 N VAL A 31 -12.077 8.786 -8.701 1.00 0.00 N ATOM 517 CA VAL A 31 -11.561 7.486 -8.377 1.00 0.00 C ATOM 518 C VAL A 31 -10.113 7.612 -7.954 1.00 0.00 C ATOM 519 O VAL A 31 -9.332 8.348 -8.576 1.00 0.00 O ATOM 520 CB VAL A 31 -11.697 6.499 -9.572 1.00 0.00 C ATOM 521 CG1 VAL A 31 -11.215 5.099 -9.195 1.00 0.00 C ATOM 522 CG2 VAL A 31 -13.142 6.448 -10.057 1.00 0.00 C ATOM 0 H VAL A 31 -12.004 9.033 -9.688 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.148 7.078 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.065 6.865 -10.381 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.323 4.434 -10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.167 5.142 -8.900 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.811 4.721 -8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.221 5.753 -10.893 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -13.787 6.113 -9.245 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.453 7.442 -10.380 1.00 0.00 H new ATOM 532 N GLU A 32 -9.773 6.938 -6.898 1.00 0.00 N ATOM 533 CA GLU A 32 -8.450 6.988 -6.369 1.00 0.00 C ATOM 534 C GLU A 32 -7.658 5.795 -6.856 1.00 0.00 C ATOM 535 O GLU A 32 -7.918 4.642 -6.472 1.00 0.00 O ATOM 536 CB GLU A 32 -8.504 7.070 -4.852 1.00 0.00 C ATOM 537 CG GLU A 32 -9.199 8.335 -4.368 1.00 0.00 C ATOM 538 CD GLU A 32 -9.340 8.396 -2.880 1.00 0.00 C ATOM 539 OE1 GLU A 32 -8.359 8.724 -2.196 1.00 0.00 O ATOM 540 OE2 GLU A 32 -10.454 8.136 -2.371 1.00 0.00 O ATOM 0 H GLU A 32 -10.411 6.335 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.939 7.883 -6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.028 6.198 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.491 7.039 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.637 9.204 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.188 8.396 -4.823 1.00 0.00 H new ATOM 547 N LYS A 33 -6.738 6.069 -7.734 1.00 0.00 N ATOM 548 CA LYS A 33 -5.906 5.059 -8.323 1.00 0.00 C ATOM 549 C LYS A 33 -4.715 4.865 -7.415 1.00 0.00 C ATOM 550 O LYS A 33 -4.022 5.830 -7.076 1.00 0.00 O ATOM 551 CB LYS A 33 -5.423 5.491 -9.722 1.00 0.00 C ATOM 552 CG LYS A 33 -6.509 6.060 -10.638 1.00 0.00 C ATOM 553 CD LYS A 33 -7.624 5.066 -10.914 1.00 0.00 C ATOM 554 CE LYS A 33 -8.710 5.682 -11.790 1.00 0.00 C ATOM 555 NZ LYS A 33 -8.220 6.047 -13.138 1.00 0.00 N ATOM 0 H LYS A 33 -6.541 7.013 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.471 4.134 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.640 6.240 -9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.969 4.631 -10.214 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.931 6.955 -10.182 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.058 6.366 -11.582 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.214 4.184 -11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.059 4.733 -9.972 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.536 4.977 -11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.106 6.571 -11.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.019 6.366 -13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.522 6.814 -13.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.775 5.218 -13.582 1.00 0.00 H new ATOM 569 N TYR A 34 -4.496 3.672 -6.985 1.00 0.00 N ATOM 570 CA TYR A 34 -3.400 3.416 -6.099 1.00 0.00 C ATOM 571 C TYR A 34 -2.155 3.092 -6.889 1.00 0.00 C ATOM 572 O TYR A 34 -2.225 2.450 -7.951 1.00 0.00 O ATOM 573 CB TYR A 34 -3.743 2.309 -5.103 1.00 0.00 C ATOM 574 CG TYR A 34 -5.007 2.597 -4.312 1.00 0.00 C ATOM 575 CD1 TYR A 34 -5.219 3.838 -3.732 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.978 1.632 -4.146 1.00 0.00 C ATOM 577 CE1 TYR A 34 -6.366 4.108 -3.012 1.00 0.00 C ATOM 578 CE2 TYR A 34 -7.130 1.894 -3.426 1.00 0.00 C ATOM 579 CZ TYR A 34 -7.316 3.135 -2.864 1.00 0.00 C ATOM 580 OH TYR A 34 -8.458 3.394 -2.136 1.00 0.00 O ATOM 0 H TYR A 34 -5.056 2.855 -7.228 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.204 4.317 -5.518 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.863 1.368 -5.640 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.910 2.178 -4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.472 4.610 -3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.837 0.656 -4.585 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.512 5.082 -2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.880 1.127 -3.306 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.576 2.699 -1.455 1.00 0.00 H new ATOM 590 N VAL A 35 -1.034 3.594 -6.414 1.00 0.00 N ATOM 591 CA VAL A 35 0.245 3.374 -7.049 1.00 0.00 C ATOM 592 C VAL A 35 0.633 1.887 -6.939 1.00 0.00 C ATOM 593 O VAL A 35 0.145 1.168 -6.069 1.00 0.00 O ATOM 594 CB VAL A 35 1.353 4.283 -6.426 1.00 0.00 C ATOM 595 CG1 VAL A 35 1.741 3.832 -5.029 1.00 0.00 C ATOM 596 CG2 VAL A 35 2.574 4.421 -7.335 1.00 0.00 C ATOM 0 H VAL A 35 -0.986 4.169 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 35 0.157 3.642 -8.102 1.00 0.00 H new ATOM 0 HB VAL A 35 0.917 5.278 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.514 4.492 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.867 3.868 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.122 2.811 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.314 5.062 -6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.008 3.437 -7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.272 4.862 -8.285 1.00 0.00 H new ATOM 606 N LEU A 36 1.505 1.460 -7.805 1.00 0.00 N ATOM 607 CA LEU A 36 1.895 0.079 -7.885 1.00 0.00 C ATOM 608 C LEU A 36 3.122 -0.221 -6.995 1.00 0.00 C ATOM 609 O LEU A 36 3.541 -1.372 -6.881 1.00 0.00 O ATOM 610 CB LEU A 36 2.177 -0.275 -9.346 1.00 0.00 C ATOM 611 CG LEU A 36 2.220 -1.766 -9.695 1.00 0.00 C ATOM 612 CD1 LEU A 36 0.863 -2.408 -9.448 1.00 0.00 C ATOM 613 CD2 LEU A 36 2.639 -1.958 -11.135 1.00 0.00 C ATOM 0 H LEU A 36 1.971 2.064 -8.482 1.00 0.00 H new ATOM 0 HA LEU A 36 1.079 -0.539 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.414 0.198 -9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.133 0.168 -9.625 1.00 0.00 H new ATOM 0 HG LEU A 36 2.955 -2.251 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.910 -3.467 -9.701 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.594 -2.297 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.111 -1.920 -10.068 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.665 -3.023 -11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.925 -1.460 -11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.630 -1.530 -11.286 1.00 0.00 H new ATOM 625 N THR A 37 3.691 0.796 -6.365 1.00 0.00 N ATOM 626 CA THR A 37 4.912 0.590 -5.610 1.00 0.00 C ATOM 627 C THR A 37 4.605 0.232 -4.149 1.00 0.00 C ATOM 628 O THR A 37 3.582 0.626 -3.588 1.00 0.00 O ATOM 629 CB THR A 37 5.889 1.817 -5.685 1.00 0.00 C ATOM 630 OG1 THR A 37 7.159 1.465 -5.124 1.00 0.00 O ATOM 631 CG2 THR A 37 5.358 3.020 -4.919 1.00 0.00 C ATOM 0 H THR A 37 3.334 1.752 -6.362 1.00 0.00 H new ATOM 0 HA THR A 37 5.424 -0.251 -6.077 1.00 0.00 H new ATOM 0 HB THR A 37 5.983 2.081 -6.738 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.866 1.979 -5.567 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.067 3.844 -4.999 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.399 3.324 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.227 2.755 -3.870 1.00 0.00 H new ATOM 639 N SER A 38 5.505 -0.518 -3.567 1.00 0.00 N ATOM 640 CA SER A 38 5.384 -1.035 -2.241 1.00 0.00 C ATOM 641 C SER A 38 6.520 -0.524 -1.323 1.00 0.00 C ATOM 642 O SER A 38 6.885 -1.178 -0.350 1.00 0.00 O ATOM 643 CB SER A 38 5.366 -2.550 -2.350 1.00 0.00 C ATOM 644 OG SER A 38 6.337 -2.997 -3.302 1.00 0.00 O ATOM 0 H SER A 38 6.373 -0.792 -4.027 1.00 0.00 H new ATOM 0 HA SER A 38 4.462 -0.686 -1.776 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.573 -2.993 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.373 -2.887 -2.649 1.00 0.00 H new ATOM 0 HG SER A 38 7.118 -3.353 -2.830 1.00 0.00 H new ATOM 650 N HIS A 39 7.065 0.649 -1.666 1.00 0.00 N ATOM 651 CA HIS A 39 8.153 1.307 -0.886 1.00 0.00 C ATOM 652 C HIS A 39 7.781 1.495 0.590 1.00 0.00 C ATOM 653 O HIS A 39 6.937 2.334 0.933 1.00 0.00 O ATOM 654 CB HIS A 39 8.530 2.691 -1.468 1.00 0.00 C ATOM 655 CG HIS A 39 9.212 2.676 -2.805 1.00 0.00 C ATOM 656 ND1 HIS A 39 9.348 3.798 -3.589 1.00 0.00 N ATOM 657 CD2 HIS A 39 9.833 1.681 -3.476 1.00 0.00 C ATOM 658 CE1 HIS A 39 10.018 3.494 -4.678 1.00 0.00 C ATOM 659 NE2 HIS A 39 10.329 2.215 -4.635 1.00 0.00 N ATOM 0 H HIS A 39 6.774 1.178 -2.488 1.00 0.00 H new ATOM 0 HA HIS A 39 9.006 0.633 -0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.622 3.288 -1.552 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.181 3.198 -0.756 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.922 0.653 -3.157 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.271 4.178 -5.474 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.853 1.706 -5.347 1.00 0.00 H new ATOM 668 N VAL A 40 8.413 0.735 1.453 1.00 0.00 N ATOM 669 CA VAL A 40 8.143 0.828 2.866 1.00 0.00 C ATOM 670 C VAL A 40 9.085 1.761 3.573 1.00 0.00 C ATOM 671 O VAL A 40 10.222 1.966 3.156 1.00 0.00 O ATOM 672 CB VAL A 40 8.094 -0.544 3.602 1.00 0.00 C ATOM 673 CG1 VAL A 40 6.856 -1.307 3.207 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.333 -1.386 3.314 1.00 0.00 C ATOM 0 H VAL A 40 9.119 0.044 1.199 1.00 0.00 H new ATOM 0 HA VAL A 40 7.137 1.245 2.914 1.00 0.00 H new ATOM 0 HB VAL A 40 8.068 -0.338 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.836 -2.263 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.971 -0.729 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.864 -1.481 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.260 -2.335 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.404 -1.575 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.222 -0.851 3.647 1.00 0.00 H new ATOM 684 N SER A 41 8.589 2.352 4.600 1.00 0.00 N ATOM 685 CA SER A 41 9.334 3.208 5.450 1.00 0.00 C ATOM 686 C SER A 41 9.371 2.558 6.831 1.00 0.00 C ATOM 687 O SER A 41 8.445 1.821 7.201 1.00 0.00 O ATOM 688 CB SER A 41 8.668 4.588 5.501 1.00 0.00 C ATOM 689 OG SER A 41 8.566 5.144 4.187 1.00 0.00 O ATOM 0 H SER A 41 7.614 2.248 4.882 1.00 0.00 H new ATOM 0 HA SER A 41 10.350 3.349 5.082 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.676 4.503 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.247 5.254 6.140 1.00 0.00 H new ATOM 0 HG SER A 41 8.137 6.024 4.236 1.00 0.00 H new ATOM 695 N LYS A 42 10.423 2.819 7.579 1.00 0.00 N ATOM 696 CA LYS A 42 10.617 2.216 8.915 1.00 0.00 C ATOM 697 C LYS A 42 9.765 2.980 9.910 1.00 0.00 C ATOM 698 O LYS A 42 9.514 2.549 11.041 1.00 0.00 O ATOM 699 CB LYS A 42 12.082 2.388 9.341 1.00 0.00 C ATOM 700 CG LYS A 42 13.080 2.267 8.209 1.00 0.00 C ATOM 701 CD LYS A 42 14.510 2.402 8.704 1.00 0.00 C ATOM 702 CE LYS A 42 15.488 2.403 7.541 1.00 0.00 C ATOM 703 NZ LYS A 42 16.888 2.447 7.994 1.00 0.00 N ATOM 0 H LYS A 42 11.173 3.449 7.295 1.00 0.00 H new ATOM 0 HA LYS A 42 10.348 1.160 8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.199 3.365 9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.318 1.641 10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.955 1.303 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.879 3.036 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.616 3.325 9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.744 1.580 9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.331 1.510 6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.288 3.262 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.520 2.446 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.046 3.312 8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.088 1.614 8.584 1.00 0.00 H new ATOM 717 N ASN A 43 9.335 4.106 9.442 1.00 0.00 N ATOM 718 CA ASN A 43 8.649 5.105 10.188 1.00 0.00 C ATOM 719 C ASN A 43 7.199 4.751 10.344 1.00 0.00 C ATOM 720 O ASN A 43 6.500 4.497 9.357 1.00 0.00 O ATOM 721 CB ASN A 43 8.756 6.431 9.433 1.00 0.00 C ATOM 722 CG ASN A 43 10.153 6.674 8.894 1.00 0.00 C ATOM 723 OD1 ASN A 43 10.465 6.280 7.771 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.000 7.259 9.673 1.00 0.00 N ATOM 0 H ASN A 43 9.463 4.367 8.464 1.00 0.00 H new ATOM 0 HA ASN A 43 9.098 5.182 11.178 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.044 6.435 8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.478 7.249 10.098 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.960 7.407 9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.709 7.574 10.598 1.00 0.00 H new ATOM 731 N ARG A 44 6.754 4.701 11.564 1.00 0.00 N ATOM 732 CA ARG A 44 5.363 4.489 11.849 1.00 0.00 C ATOM 733 C ARG A 44 4.761 5.851 12.181 1.00 0.00 C ATOM 734 O ARG A 44 4.994 6.395 13.269 1.00 0.00 O ATOM 735 CB ARG A 44 5.180 3.486 12.992 1.00 0.00 C ATOM 736 CG ARG A 44 5.819 2.130 12.706 1.00 0.00 C ATOM 737 CD ARG A 44 5.503 1.110 13.779 1.00 0.00 C ATOM 738 NE ARG A 44 5.986 1.510 15.099 1.00 0.00 N ATOM 739 CZ ARG A 44 6.357 0.672 16.071 1.00 0.00 C ATOM 740 NH1 ARG A 44 6.333 -0.641 15.871 1.00 0.00 N ATOM 741 NH2 ARG A 44 6.763 1.156 17.237 1.00 0.00 N ATOM 0 H ARG A 44 7.343 4.806 12.390 1.00 0.00 H new ATOM 0 HA ARG A 44 4.852 4.056 10.989 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.612 3.900 13.903 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.115 3.347 13.179 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.468 1.761 11.742 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.900 2.249 12.627 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.425 0.957 13.822 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.950 0.154 13.508 1.00 0.00 H new ATOM 0 HE ARG A 44 6.045 2.510 15.294 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.030 -1.014 14.971 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.617 -1.276 16.617 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.791 2.164 17.389 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.047 0.520 17.982 1.00 0.00 H new ATOM 755 N PRO A 45 4.042 6.451 11.228 1.00 0.00 N ATOM 756 CA PRO A 45 3.553 7.812 11.355 1.00 0.00 C ATOM 757 C PRO A 45 2.306 7.964 12.221 1.00 0.00 C ATOM 758 O PRO A 45 1.419 7.090 12.249 1.00 0.00 O ATOM 759 CB PRO A 45 3.256 8.210 9.916 1.00 0.00 C ATOM 760 CG PRO A 45 2.879 6.938 9.240 1.00 0.00 C ATOM 761 CD PRO A 45 3.640 5.842 9.941 1.00 0.00 C ATOM 0 HA PRO A 45 4.287 8.439 11.861 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.447 8.939 9.866 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.126 8.666 9.444 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.804 6.767 9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.133 6.971 8.181 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.019 4.960 10.094 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.507 5.525 9.362 1.00 0.00 H new ATOM 769 N LYS A 46 2.265 9.067 12.926 1.00 0.00 N ATOM 770 CA LYS A 46 1.149 9.449 13.751 1.00 0.00 C ATOM 771 C LYS A 46 0.393 10.610 13.084 1.00 0.00 C ATOM 772 O LYS A 46 -0.829 10.628 13.061 1.00 0.00 O ATOM 773 CB LYS A 46 1.662 9.872 15.142 1.00 0.00 C ATOM 774 CG LYS A 46 0.619 10.404 16.162 1.00 0.00 C ATOM 775 CD LYS A 46 -0.297 9.325 16.776 1.00 0.00 C ATOM 776 CE LYS A 46 -1.406 8.834 15.848 1.00 0.00 C ATOM 777 NZ LYS A 46 -2.303 9.931 15.412 1.00 0.00 N ATOM 0 H LYS A 46 3.029 9.742 12.941 1.00 0.00 H new ATOM 0 HA LYS A 46 0.468 8.605 13.867 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.163 9.014 15.590 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.418 10.645 15.001 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.147 10.913 16.968 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.003 11.150 15.668 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.315 8.473 17.073 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.750 9.724 17.684 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.961 8.362 14.972 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.992 8.070 16.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.261 9.556 15.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.333 10.668 16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.946 10.340 14.525 1.00 0.00 H new ATOM 791 N ASN A 47 1.142 11.565 12.542 1.00 0.00 N ATOM 792 CA ASN A 47 0.561 12.752 11.896 1.00 0.00 C ATOM 793 C ASN A 47 0.011 12.449 10.510 1.00 0.00 C ATOM 794 O ASN A 47 -1.034 12.979 10.114 1.00 0.00 O ATOM 795 CB ASN A 47 1.597 13.890 11.817 1.00 0.00 C ATOM 796 CG ASN A 47 1.143 15.083 10.962 1.00 0.00 C ATOM 797 OD1 ASN A 47 1.408 15.135 9.751 1.00 0.00 O ATOM 798 ND2 ASN A 47 0.481 16.034 11.564 1.00 0.00 N ATOM 0 H ASN A 47 2.162 11.545 12.534 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.277 13.070 12.517 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.816 14.240 12.826 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.527 13.495 11.408 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.166 16.849 11.037 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.279 15.962 12.561 1.00 0.00 H new ATOM 805 N ALA A 48 0.679 11.579 9.793 1.00 0.00 N ATOM 806 CA ALA A 48 0.290 11.273 8.438 1.00 0.00 C ATOM 807 C ALA A 48 -0.914 10.354 8.431 1.00 0.00 C ATOM 808 O ALA A 48 -1.167 9.635 9.410 1.00 0.00 O ATOM 809 CB ALA A 48 1.451 10.658 7.683 1.00 0.00 C ATOM 0 H ALA A 48 1.497 11.069 10.126 1.00 0.00 H new ATOM 0 HA ALA A 48 0.011 12.198 7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.143 10.432 6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.285 11.360 7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.762 9.739 8.180 1.00 0.00 H new ATOM 815 N ILE A 49 -1.631 10.370 7.350 1.00 0.00 N ATOM 816 CA ILE A 49 -2.853 9.620 7.236 1.00 0.00 C ATOM 817 C ILE A 49 -2.535 8.192 6.849 1.00 0.00 C ATOM 818 O ILE A 49 -1.804 7.942 5.877 1.00 0.00 O ATOM 819 CB ILE A 49 -3.807 10.260 6.176 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.126 11.730 6.533 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.097 9.451 6.017 1.00 0.00 C ATOM 822 CD1 ILE A 49 -4.788 11.927 7.890 1.00 0.00 C ATOM 0 H ILE A 49 -1.388 10.904 6.516 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.360 9.634 8.201 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.286 10.245 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.200 12.304 6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.777 12.143 5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.735 9.926 5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.854 8.439 5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.621 9.411 6.972 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.974 12.989 8.054 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.733 11.385 7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.131 11.549 8.673 1.00 0.00 H new ATOM 834 N VAL A 50 -3.038 7.267 7.622 1.00 0.00 N ATOM 835 CA VAL A 50 -2.825 5.882 7.352 1.00 0.00 C ATOM 836 C VAL A 50 -4.116 5.236 6.888 1.00 0.00 C ATOM 837 O VAL A 50 -5.196 5.522 7.415 1.00 0.00 O ATOM 838 CB VAL A 50 -2.202 5.105 8.561 1.00 0.00 C ATOM 839 CG1 VAL A 50 -0.833 5.670 8.912 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.109 5.126 9.787 1.00 0.00 C ATOM 0 H VAL A 50 -3.603 7.457 8.450 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.088 5.823 6.551 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.092 4.066 8.251 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.416 5.117 9.754 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.169 5.576 8.052 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.932 6.722 9.181 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.635 4.575 10.599 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.277 6.157 10.098 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.064 4.661 9.541 1.00 0.00 H new ATOM 850 N ILE A 51 -4.022 4.449 5.865 1.00 0.00 N ATOM 851 CA ILE A 51 -5.155 3.727 5.342 1.00 0.00 C ATOM 852 C ILE A 51 -4.887 2.253 5.566 1.00 0.00 C ATOM 853 O ILE A 51 -3.811 1.782 5.263 1.00 0.00 O ATOM 854 CB ILE A 51 -5.361 4.013 3.825 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.507 5.527 3.582 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.587 3.269 3.303 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.649 5.918 2.123 1.00 0.00 C ATOM 0 H ILE A 51 -3.152 4.282 5.359 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.066 4.044 5.850 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.485 3.656 3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.378 5.888 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.637 6.035 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.716 3.480 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.450 2.197 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.472 3.598 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.746 7.001 2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.767 5.592 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.536 5.443 1.704 1.00 0.00 H new ATOM 869 N LYS A 52 -5.826 1.546 6.121 1.00 0.00 N ATOM 870 CA LYS A 52 -5.621 0.150 6.451 1.00 0.00 C ATOM 871 C LYS A 52 -5.681 -0.734 5.196 1.00 0.00 C ATOM 872 O LYS A 52 -6.428 -0.436 4.254 1.00 0.00 O ATOM 873 CB LYS A 52 -6.644 -0.288 7.502 1.00 0.00 C ATOM 874 CG LYS A 52 -6.419 -1.689 8.051 1.00 0.00 C ATOM 875 CD LYS A 52 -7.452 -2.060 9.103 1.00 0.00 C ATOM 876 CE LYS A 52 -7.373 -1.172 10.344 1.00 0.00 C ATOM 877 NZ LYS A 52 -6.082 -1.319 11.071 1.00 0.00 N ATOM 0 H LYS A 52 -6.750 1.907 6.359 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.623 0.030 6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.623 0.421 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.641 -0.238 7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.458 -2.409 7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.421 -1.753 8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.449 -1.984 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.310 -3.100 9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.504 -0.131 10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.195 -1.419 11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.142 -0.831 11.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.885 -2.328 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.316 -0.901 10.506 1.00 0.00 H new ATOM 891 N MET A 53 -4.903 -1.840 5.224 1.00 0.00 N ATOM 892 CA MET A 53 -4.759 -2.816 4.108 1.00 0.00 C ATOM 893 C MET A 53 -6.108 -3.289 3.571 1.00 0.00 C ATOM 894 O MET A 53 -6.247 -3.569 2.392 1.00 0.00 O ATOM 895 CB MET A 53 -3.926 -4.026 4.562 1.00 0.00 C ATOM 896 CG MET A 53 -2.501 -3.676 4.979 1.00 0.00 C ATOM 897 SD MET A 53 -1.547 -5.102 5.567 1.00 0.00 S ATOM 898 CE MET A 53 -1.519 -6.143 4.107 1.00 0.00 C ATOM 0 H MET A 53 -4.343 -2.089 6.040 1.00 0.00 H new ATOM 0 HA MET A 53 -4.246 -2.299 3.297 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.431 -4.508 5.399 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.888 -4.753 3.751 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.983 -3.227 4.131 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.536 -2.923 5.766 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.759 -6.915 4.225 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.494 -6.611 3.975 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.287 -5.536 3.232 1.00 0.00 H new ATOM 908 N ASP A 54 -7.084 -3.343 4.456 1.00 0.00 N ATOM 909 CA ASP A 54 -8.475 -3.712 4.156 1.00 0.00 C ATOM 910 C ASP A 54 -9.092 -2.884 3.002 1.00 0.00 C ATOM 911 O ASP A 54 -9.941 -3.376 2.250 1.00 0.00 O ATOM 912 CB ASP A 54 -9.305 -3.550 5.437 1.00 0.00 C ATOM 913 CG ASP A 54 -10.788 -3.687 5.228 1.00 0.00 C ATOM 914 OD1 ASP A 54 -11.280 -4.802 5.073 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.497 -2.652 5.238 1.00 0.00 O ATOM 0 H ASP A 54 -6.937 -3.125 5.442 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.483 -4.747 3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.981 -4.295 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.099 -2.571 5.870 1.00 0.00 H new ATOM 920 N ASN A 55 -8.650 -1.652 2.846 1.00 0.00 N ATOM 921 CA ASN A 55 -9.189 -0.779 1.791 1.00 0.00 C ATOM 922 C ASN A 55 -8.511 -1.058 0.448 1.00 0.00 C ATOM 923 O ASN A 55 -9.090 -0.819 -0.623 1.00 0.00 O ATOM 924 CB ASN A 55 -9.021 0.710 2.173 1.00 0.00 C ATOM 925 CG ASN A 55 -9.494 1.690 1.087 1.00 0.00 C ATOM 926 OD1 ASN A 55 -8.724 2.089 0.207 1.00 0.00 O ATOM 927 ND2 ASN A 55 -10.738 2.108 1.153 1.00 0.00 N ATOM 0 H ASN A 55 -7.926 -1.225 3.424 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.252 -0.996 1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.577 0.904 3.090 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.970 0.903 2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.088 2.777 0.468 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.354 1.763 1.890 1.00 0.00 H new ATOM 934 N LEU A 56 -7.339 -1.637 0.501 1.00 0.00 N ATOM 935 CA LEU A 56 -6.532 -1.826 -0.683 1.00 0.00 C ATOM 936 C LEU A 56 -6.983 -3.024 -1.503 1.00 0.00 C ATOM 937 O LEU A 56 -7.358 -4.060 -0.947 1.00 0.00 O ATOM 938 CB LEU A 56 -5.022 -1.915 -0.351 1.00 0.00 C ATOM 939 CG LEU A 56 -4.313 -0.605 0.081 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.391 0.452 -1.006 1.00 0.00 C ATOM 941 CD2 LEU A 56 -4.875 -0.064 1.378 1.00 0.00 C ATOM 0 H LEU A 56 -6.917 -1.990 1.360 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.681 -0.938 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.894 -2.647 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.506 -2.305 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.265 -0.854 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.884 1.357 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.909 0.080 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.436 0.679 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.352 0.854 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.937 0.147 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.741 -0.802 2.169 1.00 0.00 H new ATOM 953 N PRO A 57 -6.993 -2.878 -2.842 1.00 0.00 N ATOM 954 CA PRO A 57 -7.368 -3.949 -3.759 1.00 0.00 C ATOM 955 C PRO A 57 -6.430 -5.157 -3.654 1.00 0.00 C ATOM 956 O PRO A 57 -5.287 -5.045 -3.152 1.00 0.00 O ATOM 957 CB PRO A 57 -7.248 -3.299 -5.141 1.00 0.00 C ATOM 958 CG PRO A 57 -7.320 -1.850 -4.890 1.00 0.00 C ATOM 959 CD PRO A 57 -6.671 -1.647 -3.567 1.00 0.00 C ATOM 0 HA PRO A 57 -8.363 -4.338 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.309 -3.569 -5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.051 -3.625 -5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.805 -1.290 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.354 -1.504 -4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.594 -1.507 -3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.062 -0.766 -3.058 1.00 0.00 H new ATOM 967 N ILE A 58 -6.887 -6.288 -4.167 1.00 0.00 N ATOM 968 CA ILE A 58 -6.167 -7.541 -4.052 1.00 0.00 C ATOM 969 C ILE A 58 -4.788 -7.505 -4.689 1.00 0.00 C ATOM 970 O ILE A 58 -3.845 -8.061 -4.140 1.00 0.00 O ATOM 971 CB ILE A 58 -7.013 -8.796 -4.499 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.601 -8.688 -5.936 1.00 0.00 C ATOM 973 CG2 ILE A 58 -8.125 -9.072 -3.501 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.620 -8.934 -7.073 1.00 0.00 C ATOM 0 H ILE A 58 -7.769 -6.361 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.996 -7.668 -2.983 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.312 -9.631 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.420 -9.401 -6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.029 -7.693 -6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.698 -9.941 -3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.693 -9.268 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.783 -8.205 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.137 -8.833 -8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.811 -8.205 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.209 -9.940 -6.987 1.00 0.00 H new ATOM 986 N GLU A 59 -4.661 -6.796 -5.792 1.00 0.00 N ATOM 987 CA GLU A 59 -3.403 -6.698 -6.481 1.00 0.00 C ATOM 988 C GLU A 59 -2.432 -5.811 -5.738 1.00 0.00 C ATOM 989 O GLU A 59 -1.249 -6.108 -5.682 1.00 0.00 O ATOM 990 CB GLU A 59 -3.543 -6.242 -7.946 1.00 0.00 C ATOM 991 CG GLU A 59 -4.321 -4.952 -8.171 1.00 0.00 C ATOM 992 CD GLU A 59 -5.814 -5.169 -8.227 1.00 0.00 C ATOM 993 OE1 GLU A 59 -6.437 -5.388 -7.184 1.00 0.00 O ATOM 994 OE2 GLU A 59 -6.373 -5.128 -9.339 1.00 0.00 O ATOM 0 H GLU A 59 -5.423 -6.278 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.001 -7.711 -6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.544 -6.119 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.028 -7.039 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.091 -4.250 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.991 -4.492 -9.102 1.00 0.00 H new ATOM 1001 N VAL A 60 -2.930 -4.738 -5.138 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.062 -3.841 -4.393 1.00 0.00 C ATOM 1003 C VAL A 60 -1.519 -4.571 -3.170 1.00 0.00 C ATOM 1004 O VAL A 60 -0.325 -4.509 -2.869 1.00 0.00 O ATOM 1005 CB VAL A 60 -2.783 -2.534 -3.976 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -1.833 -1.607 -3.222 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.346 -1.825 -5.201 1.00 0.00 C ATOM 0 H VAL A 60 -3.914 -4.472 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.239 -3.547 -5.044 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.606 -2.797 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.361 -0.696 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.470 -2.109 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.988 -1.353 -3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.849 -0.909 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.533 -1.580 -5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.059 -2.479 -5.704 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.391 -5.330 -2.518 1.00 0.00 N ATOM 1018 CA LYS A 61 -1.995 -6.119 -1.365 1.00 0.00 C ATOM 1019 C LYS A 61 -1.016 -7.199 -1.767 1.00 0.00 C ATOM 1020 O LYS A 61 -0.092 -7.513 -1.030 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.201 -6.721 -0.658 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.123 -5.672 -0.087 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.207 -6.275 0.800 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.174 -7.153 0.020 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.182 -7.759 0.909 1.00 0.00 N ATOM 0 H LYS A 61 -3.376 -5.414 -2.770 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.501 -5.449 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.756 -7.343 -1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.858 -7.374 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.540 -4.955 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.590 -5.119 -0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.740 -6.865 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.761 -5.473 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.672 -6.558 -0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.621 -7.938 -0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.827 -8.352 0.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.706 -8.345 1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.724 -7.008 1.382 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.214 -7.734 -2.946 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.326 -8.755 -3.515 1.00 0.00 C ATOM 1041 C ASP A 62 1.071 -8.198 -3.743 1.00 0.00 C ATOM 1042 O ASP A 62 2.063 -8.847 -3.422 1.00 0.00 O ATOM 1043 CB ASP A 62 -0.900 -9.330 -4.818 1.00 0.00 C ATOM 1044 CG ASP A 62 0.058 -10.267 -5.536 1.00 0.00 C ATOM 1045 OD1 ASP A 62 0.340 -11.390 -5.025 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.541 -9.908 -6.633 1.00 0.00 O ATOM 0 H ASP A 62 -1.995 -7.482 -3.552 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.255 -9.568 -2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.822 -9.866 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.162 -8.509 -5.485 1.00 0.00 H new ATOM 1051 N LYS A 63 1.148 -6.977 -4.252 1.00 0.00 N ATOM 1052 CA LYS A 63 2.431 -6.316 -4.487 1.00 0.00 C ATOM 1053 C LYS A 63 3.140 -6.070 -3.162 1.00 0.00 C ATOM 1054 O LYS A 63 4.357 -6.294 -3.035 1.00 0.00 O ATOM 1055 CB LYS A 63 2.227 -5.002 -5.242 1.00 0.00 C ATOM 1056 CG LYS A 63 1.527 -5.177 -6.579 1.00 0.00 C ATOM 1057 CD LYS A 63 2.352 -6.001 -7.557 1.00 0.00 C ATOM 1058 CE LYS A 63 1.598 -6.218 -8.857 1.00 0.00 C ATOM 1059 NZ LYS A 63 2.386 -6.988 -9.831 1.00 0.00 N ATOM 0 H LYS A 63 0.335 -6.419 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 63 3.054 -6.966 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.644 -4.322 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.196 -4.532 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.563 -5.661 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.325 -4.197 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.295 -5.494 -7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.598 -6.964 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.665 -6.742 -8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.333 -5.252 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.834 -7.113 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.265 -6.477 -10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.617 -7.920 -9.431 1.00 0.00 H new ATOM 1073 N LEU A 64 2.370 -5.634 -2.172 1.00 0.00 N ATOM 1074 CA LEU A 64 2.876 -5.429 -0.824 1.00 0.00 C ATOM 1075 C LEU A 64 3.403 -6.758 -0.276 1.00 0.00 C ATOM 1076 O LEU A 64 4.528 -6.845 0.266 1.00 0.00 O ATOM 1077 CB LEU A 64 1.760 -4.900 0.102 1.00 0.00 C ATOM 1078 CG LEU A 64 1.090 -3.572 -0.288 1.00 0.00 C ATOM 1079 CD1 LEU A 64 0.005 -3.207 0.712 1.00 0.00 C ATOM 1080 CD2 LEU A 64 2.108 -2.448 -0.392 1.00 0.00 C ATOM 0 H LEU A 64 1.380 -5.414 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 64 3.679 -4.693 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.984 -5.663 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.178 -4.786 1.102 1.00 0.00 H new ATOM 0 HG LEU A 64 0.634 -3.707 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.457 -2.264 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.751 -3.992 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.445 -3.103 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.602 -1.523 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.604 -2.316 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.849 -2.698 -1.151 1.00 0.00 H new ATOM 1092 N THR A 65 2.616 -7.793 -0.473 1.00 0.00 N ATOM 1093 CA THR A 65 2.947 -9.104 -0.019 1.00 0.00 C ATOM 1094 C THR A 65 4.221 -9.641 -0.688 1.00 0.00 C ATOM 1095 O THR A 65 5.156 -10.023 -0.003 1.00 0.00 O ATOM 1096 CB THR A 65 1.759 -10.082 -0.199 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.630 -9.572 0.527 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.099 -11.478 0.325 1.00 0.00 C ATOM 0 H THR A 65 1.721 -7.736 -0.959 1.00 0.00 H new ATOM 0 HA THR A 65 3.155 -9.028 1.048 1.00 0.00 H new ATOM 0 HB THR A 65 1.535 -10.163 -1.263 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.262 -8.796 0.056 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.243 -12.138 0.183 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.956 -11.873 -0.220 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.340 -11.420 1.386 1.00 0.00 H new ATOM 1106 N ARG A 66 4.288 -9.594 -2.004 1.00 0.00 N ATOM 1107 CA ARG A 66 5.423 -10.171 -2.728 1.00 0.00 C ATOM 1108 C ARG A 66 6.724 -9.379 -2.553 1.00 0.00 C ATOM 1109 O ARG A 66 7.797 -9.895 -2.853 1.00 0.00 O ATOM 1110 CB ARG A 66 5.130 -10.326 -4.224 1.00 0.00 C ATOM 1111 CG ARG A 66 3.926 -11.183 -4.554 1.00 0.00 C ATOM 1112 CD ARG A 66 3.842 -11.434 -6.045 1.00 0.00 C ATOM 1113 NE ARG A 66 2.593 -12.092 -6.433 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.454 -12.942 -7.449 1.00 0.00 C ATOM 1115 NH1 ARG A 66 3.520 -13.295 -8.181 1.00 0.00 N ATOM 1116 NH2 ARG A 66 1.254 -13.421 -7.743 1.00 0.00 N ATOM 0 H ARG A 66 3.578 -9.166 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 66 5.566 -11.155 -2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.981 -9.336 -4.654 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.007 -10.756 -4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.993 -12.133 -4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.017 -10.689 -4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.929 -10.486 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.685 -12.051 -6.354 1.00 0.00 H new ATOM 0 HE ARG A 66 1.762 -11.882 -5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.439 -12.913 -7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.412 -13.946 -8.959 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.443 -13.138 -7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.141 -14.072 -8.520 1.00 0.00 H new ATOM 1130 N PHE A 67 6.636 -8.137 -2.103 1.00 0.00 N ATOM 1131 CA PHE A 67 7.838 -7.327 -1.963 1.00 0.00 C ATOM 1132 C PHE A 67 8.480 -7.451 -0.573 1.00 0.00 C ATOM 1133 O PHE A 67 9.640 -7.876 -0.453 1.00 0.00 O ATOM 1134 CB PHE A 67 7.550 -5.851 -2.298 1.00 0.00 C ATOM 1135 CG PHE A 67 8.781 -4.962 -2.358 1.00 0.00 C ATOM 1136 CD1 PHE A 67 9.635 -5.025 -3.447 1.00 0.00 C ATOM 1137 CD2 PHE A 67 9.075 -4.054 -1.341 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.751 -4.214 -3.524 1.00 0.00 C ATOM 1139 CE2 PHE A 67 10.189 -3.247 -1.415 1.00 0.00 C ATOM 1140 CZ PHE A 67 11.028 -3.326 -2.507 1.00 0.00 C ATOM 0 H PHE A 67 5.767 -7.675 -1.834 1.00 0.00 H new ATOM 0 HA PHE A 67 8.560 -7.717 -2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.037 -5.804 -3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.865 -5.450 -1.551 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.425 -5.719 -4.248 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.421 -3.983 -0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.406 -4.276 -4.381 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.406 -2.552 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.901 -2.693 -2.565 1.00 0.00 H new ATOM 1150 N PHE A 68 7.743 -7.116 0.464 1.00 0.00 N ATOM 1151 CA PHE A 68 8.347 -7.038 1.795 1.00 0.00 C ATOM 1152 C PHE A 68 7.737 -7.994 2.811 1.00 0.00 C ATOM 1153 O PHE A 68 8.340 -8.263 3.854 1.00 0.00 O ATOM 1154 CB PHE A 68 8.250 -5.592 2.338 1.00 0.00 C ATOM 1155 CG PHE A 68 6.834 -5.070 2.460 1.00 0.00 C ATOM 1156 CD1 PHE A 68 6.080 -5.324 3.597 1.00 0.00 C ATOM 1157 CD2 PHE A 68 6.259 -4.335 1.437 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.793 -4.863 3.706 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.972 -3.870 1.545 1.00 0.00 C ATOM 1160 CZ PHE A 68 4.237 -4.134 2.677 1.00 0.00 C ATOM 0 H PHE A 68 6.748 -6.896 0.425 1.00 0.00 H new ATOM 0 HA PHE A 68 9.387 -7.339 1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.726 -5.551 3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.814 -4.930 1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.513 -5.892 4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.829 -4.125 0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.217 -5.071 4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.536 -3.296 0.740 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.224 -3.770 2.760 1.00 0.00 H new ATOM 1170 N LEU A 69 6.568 -8.503 2.531 1.00 0.00 N ATOM 1171 CA LEU A 69 5.851 -9.256 3.541 1.00 0.00 C ATOM 1172 C LEU A 69 6.109 -10.753 3.408 1.00 0.00 C ATOM 1173 O LEU A 69 6.608 -11.386 4.335 1.00 0.00 O ATOM 1174 CB LEU A 69 4.365 -8.944 3.441 1.00 0.00 C ATOM 1175 CG LEU A 69 3.479 -9.413 4.585 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.920 -8.785 5.902 1.00 0.00 C ATOM 1177 CD2 LEU A 69 2.027 -9.075 4.292 1.00 0.00 C ATOM 0 H LEU A 69 6.093 -8.417 1.632 1.00 0.00 H new ATOM 0 HA LEU A 69 6.213 -8.958 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.252 -7.864 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.988 -9.386 2.519 1.00 0.00 H new ATOM 0 HG LEU A 69 3.575 -10.495 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.273 -9.134 6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.950 -9.071 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.853 -7.700 5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.401 -9.415 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.921 -7.996 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.716 -9.571 3.372 1.00 0.00 H new