USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=18 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 25 SER OG : rot 85:sc= 1 USER MOD Set 1.2: A 33 LYS NZ :NH3+ -153:sc= 2.28 (180deg=0.861) USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0.384 USER MOD Set 2.2: A 19 LYS NZ :NH3+ 178:sc= 0.518 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.9!) USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= -0.0461 (180deg=-0.33) USER MOD Single : A 7 TYR OH : rot 180:sc= 0.786 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -2.74! C(o=-2.7!,f=-12!) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0568 (180deg=-0.329) USER MOD Single : A 17 TYR OH : rot -138:sc= 1.2 USER MOD Single : A 24 LYS NZ :NH3+ -132:sc= 1.26 (180deg=0.598) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 30 SER OG : rot 180:sc= 0.182 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=-0.3) USER MOD Single : A 41 SER OG : rot -110:sc= -0.181 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.098 X(o=-0.098,f=-0.098) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0171 X(o=-0.017,f=-0.43) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -115:sc= -1.25 (180deg=-1.46) USER MOD Single : A 55 ASN : amide:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 1.01 (180deg=0.829) USER MOD Single : A 65 THR OG1 : rot 75:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 61 N HIS A 4 -1.739 15.774 -8.578 1.00 0.00 N ATOM 62 CA HIS A 4 -2.345 14.524 -9.049 1.00 0.00 C ATOM 63 C HIS A 4 -1.936 13.343 -8.182 1.00 0.00 C ATOM 64 O HIS A 4 -2.103 12.189 -8.577 1.00 0.00 O ATOM 65 CB HIS A 4 -1.969 14.233 -10.527 1.00 0.00 C ATOM 66 CG HIS A 4 -2.570 15.160 -11.549 1.00 0.00 C ATOM 67 ND1 HIS A 4 -3.206 14.723 -12.695 1.00 0.00 N ATOM 68 CD2 HIS A 4 -2.585 16.507 -11.623 1.00 0.00 C ATOM 69 CE1 HIS A 4 -3.576 15.757 -13.411 1.00 0.00 C ATOM 70 NE2 HIS A 4 -3.216 16.847 -12.789 1.00 0.00 N ATOM 0 HA HIS A 4 -3.425 14.654 -8.978 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.884 14.273 -10.621 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.272 13.214 -10.766 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -3.363 13.747 -12.945 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.174 17.192 -10.896 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.093 15.714 -14.358 1.00 0.00 H new ATOM 79 N GLY A 5 -1.418 13.608 -7.015 1.00 0.00 N ATOM 80 CA GLY A 5 -1.029 12.532 -6.160 1.00 0.00 C ATOM 81 C GLY A 5 -0.891 12.949 -4.729 1.00 0.00 C ATOM 82 O GLY A 5 -0.496 14.079 -4.438 1.00 0.00 O ATOM 0 H GLY A 5 -1.259 14.544 -6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.767 11.733 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.080 12.123 -6.507 1.00 0.00 H new ATOM 86 N LYS A 6 -1.275 12.077 -3.834 1.00 0.00 N ATOM 87 CA LYS A 6 -1.060 12.298 -2.425 1.00 0.00 C ATOM 88 C LYS A 6 -0.379 11.107 -1.813 1.00 0.00 C ATOM 89 O LYS A 6 -0.634 9.975 -2.220 1.00 0.00 O ATOM 90 CB LYS A 6 -2.324 12.719 -1.620 1.00 0.00 C ATOM 91 CG LYS A 6 -3.532 11.782 -1.642 1.00 0.00 C ATOM 92 CD LYS A 6 -4.379 11.950 -2.900 1.00 0.00 C ATOM 93 CE LYS A 6 -5.637 11.092 -2.840 1.00 0.00 C ATOM 94 NZ LYS A 6 -6.514 11.435 -1.698 1.00 0.00 N ATOM 0 H LYS A 6 -1.743 11.199 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.406 13.168 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.027 12.858 -0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.648 13.691 -1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.188 10.750 -1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.150 11.970 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.656 12.998 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.791 11.676 -3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.196 11.210 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.352 10.042 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.463 11.042 -1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.117 11.036 -0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.579 12.469 -1.608 1.00 0.00 H new ATOM 108 N TYR A 7 0.500 11.352 -0.882 1.00 0.00 N ATOM 109 CA TYR A 7 1.228 10.284 -0.231 1.00 0.00 C ATOM 110 C TYR A 7 0.611 9.962 1.094 1.00 0.00 C ATOM 111 O TYR A 7 0.579 10.806 1.992 1.00 0.00 O ATOM 112 CB TYR A 7 2.694 10.654 -0.003 1.00 0.00 C ATOM 113 CG TYR A 7 3.497 10.875 -1.250 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.105 9.813 -1.903 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.655 12.145 -1.772 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.851 10.015 -3.046 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.394 12.357 -2.908 1.00 0.00 C ATOM 118 CZ TYR A 7 4.992 11.292 -3.543 1.00 0.00 C ATOM 119 OH TYR A 7 5.729 11.507 -4.693 1.00 0.00 O ATOM 0 H TYR A 7 0.735 12.288 -0.551 1.00 0.00 H new ATOM 0 HA TYR A 7 1.179 9.419 -0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.734 11.560 0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.166 9.862 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.993 8.813 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.189 12.984 -1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.320 9.180 -3.546 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.506 13.356 -3.303 1.00 0.00 H new ATOM 0 HH TYR A 7 5.728 12.463 -4.908 1.00 0.00 H new ATOM 129 N VAL A 8 0.123 8.775 1.215 1.00 0.00 N ATOM 130 CA VAL A 8 -0.426 8.305 2.456 1.00 0.00 C ATOM 131 C VAL A 8 0.327 7.067 2.867 1.00 0.00 C ATOM 132 O VAL A 8 1.198 6.587 2.120 1.00 0.00 O ATOM 133 CB VAL A 8 -1.954 8.007 2.381 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.741 9.276 2.108 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.266 6.950 1.327 1.00 0.00 C ATOM 0 H VAL A 8 0.090 8.094 0.456 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.313 9.098 3.195 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.257 7.613 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.804 9.041 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.563 9.994 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.421 9.705 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.340 6.767 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.935 7.302 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.746 6.025 1.575 1.00 0.00 H new ATOM 145 N TYR A 9 0.029 6.556 4.013 1.00 0.00 N ATOM 146 CA TYR A 9 0.692 5.386 4.495 1.00 0.00 C ATOM 147 C TYR A 9 -0.309 4.301 4.735 1.00 0.00 C ATOM 148 O TYR A 9 -1.428 4.562 5.175 1.00 0.00 O ATOM 149 CB TYR A 9 1.469 5.669 5.784 1.00 0.00 C ATOM 150 CG TYR A 9 2.686 6.552 5.630 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.565 7.926 5.557 1.00 0.00 C ATOM 152 CD2 TYR A 9 3.959 6.005 5.585 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.671 8.736 5.438 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.073 6.809 5.472 1.00 0.00 C ATOM 155 CZ TYR A 9 4.923 8.173 5.399 1.00 0.00 C ATOM 156 OH TYR A 9 6.031 8.982 5.290 1.00 0.00 O ATOM 0 H TYR A 9 -0.679 6.934 4.643 1.00 0.00 H new ATOM 0 HA TYR A 9 1.407 5.068 3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.792 6.135 6.501 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.784 4.718 6.214 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.583 8.374 5.594 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.080 4.933 5.639 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.555 9.808 5.376 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.059 6.369 5.441 1.00 0.00 H new ATOM 0 HH TYR A 9 6.840 8.429 5.277 1.00 0.00 H new ATOM 166 N ILE A 10 0.058 3.109 4.419 1.00 0.00 N ATOM 167 CA ILE A 10 -0.794 1.993 4.678 1.00 0.00 C ATOM 168 C ILE A 10 -0.420 1.413 6.024 1.00 0.00 C ATOM 169 O ILE A 10 0.772 1.128 6.279 1.00 0.00 O ATOM 170 CB ILE A 10 -0.708 0.907 3.569 1.00 0.00 C ATOM 171 CG1 ILE A 10 -1.027 1.503 2.182 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.595 -0.305 3.869 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.333 2.279 2.106 1.00 0.00 C ATOM 0 H ILE A 10 0.948 2.877 3.978 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.828 2.338 4.684 1.00 0.00 H new ATOM 0 HB ILE A 10 0.321 0.548 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.211 2.164 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.059 0.693 1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.499 -1.034 3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.284 -0.759 4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.634 0.015 3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.472 2.660 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.163 1.621 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.302 3.114 2.806 1.00 0.00 H new ATOM 185 N ASP A 11 -1.407 1.277 6.886 1.00 0.00 N ATOM 186 CA ASP A 11 -1.201 0.772 8.219 1.00 0.00 C ATOM 187 C ASP A 11 -0.945 -0.694 8.181 1.00 0.00 C ATOM 188 O ASP A 11 -1.857 -1.514 8.003 1.00 0.00 O ATOM 189 CB ASP A 11 -2.361 1.106 9.179 1.00 0.00 C ATOM 190 CG ASP A 11 -2.149 0.541 10.588 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.299 1.073 11.343 1.00 0.00 O ATOM 192 OD2 ASP A 11 -2.858 -0.395 10.979 1.00 0.00 O ATOM 0 H ASP A 11 -2.376 1.516 6.676 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.323 1.279 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.475 2.188 9.240 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.290 0.710 8.770 1.00 0.00 H new ATOM 197 N LEU A 12 0.313 -1.011 8.228 1.00 0.00 N ATOM 198 CA LEU A 12 0.754 -2.363 8.317 1.00 0.00 C ATOM 199 C LEU A 12 0.662 -2.768 9.771 1.00 0.00 C ATOM 200 O LEU A 12 0.544 -3.944 10.100 1.00 0.00 O ATOM 201 CB LEU A 12 2.187 -2.471 7.808 1.00 0.00 C ATOM 202 CG LEU A 12 2.433 -1.932 6.392 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.900 -2.009 6.036 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.593 -2.677 5.371 1.00 0.00 C ATOM 0 H LEU A 12 1.069 -0.327 8.205 1.00 0.00 H new ATOM 0 HA LEU A 12 0.138 -3.023 7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.840 -1.937 8.499 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.484 -3.519 7.835 1.00 0.00 H new ATOM 0 HG LEU A 12 2.132 -0.885 6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.051 -1.622 5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.478 -1.414 6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.231 -3.047 6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.787 -2.275 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.851 -3.736 5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.537 -2.556 5.611 1.00 0.00 H new ATOM 216 N ASN A 13 0.752 -1.738 10.632 1.00 0.00 N ATOM 217 CA ASN A 13 0.566 -1.798 12.102 1.00 0.00 C ATOM 218 C ASN A 13 1.708 -2.512 12.838 1.00 0.00 C ATOM 219 O ASN A 13 1.909 -2.328 14.037 1.00 0.00 O ATOM 220 CB ASN A 13 -0.796 -2.419 12.444 1.00 0.00 C ATOM 221 CG ASN A 13 -1.180 -2.245 13.889 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.921 -3.108 14.741 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.798 -1.135 14.179 1.00 0.00 N ATOM 0 H ASN A 13 0.967 -0.794 10.311 1.00 0.00 H new ATOM 0 HA ASN A 13 0.588 -0.769 12.461 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.562 -1.968 11.814 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.773 -3.482 12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.089 -0.949 15.139 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.991 -0.452 13.446 1.00 0.00 H new ATOM 230 N ASN A 14 2.496 -3.234 12.095 1.00 0.00 N ATOM 231 CA ASN A 14 3.595 -4.058 12.603 1.00 0.00 C ATOM 232 C ASN A 14 4.841 -3.228 12.939 1.00 0.00 C ATOM 233 O ASN A 14 5.911 -3.772 13.215 1.00 0.00 O ATOM 234 CB ASN A 14 3.933 -5.141 11.568 1.00 0.00 C ATOM 235 CG ASN A 14 4.254 -4.576 10.186 1.00 0.00 C ATOM 236 OD1 ASN A 14 4.747 -3.467 10.054 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.948 -5.316 9.155 1.00 0.00 N ATOM 0 H ASN A 14 2.401 -3.278 11.080 1.00 0.00 H new ATOM 0 HA ASN A 14 3.268 -4.521 13.534 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.785 -5.720 11.923 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.092 -5.830 11.485 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.120 -4.971 8.211 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.537 -6.239 9.294 1.00 0.00 H new ATOM 244 N GLY A 15 4.683 -1.927 12.933 1.00 0.00 N ATOM 245 CA GLY A 15 5.765 -1.033 13.235 1.00 0.00 C ATOM 246 C GLY A 15 6.352 -0.377 12.011 1.00 0.00 C ATOM 247 O GLY A 15 7.069 0.608 12.127 1.00 0.00 O ATOM 0 H GLY A 15 3.801 -1.462 12.719 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.410 -0.261 13.918 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.549 -1.584 13.755 1.00 0.00 H new ATOM 251 N LYS A 16 6.045 -0.881 10.844 1.00 0.00 N ATOM 252 CA LYS A 16 6.515 -0.245 9.638 1.00 0.00 C ATOM 253 C LYS A 16 5.314 0.160 8.822 1.00 0.00 C ATOM 254 O LYS A 16 4.211 -0.357 9.044 1.00 0.00 O ATOM 255 CB LYS A 16 7.484 -1.144 8.827 1.00 0.00 C ATOM 256 CG LYS A 16 6.860 -2.402 8.239 1.00 0.00 C ATOM 257 CD LYS A 16 7.866 -3.265 7.488 1.00 0.00 C ATOM 258 CE LYS A 16 8.951 -3.810 8.406 1.00 0.00 C ATOM 259 NZ LYS A 16 8.393 -4.578 9.530 1.00 0.00 N ATOM 0 H LYS A 16 5.480 -1.718 10.702 1.00 0.00 H new ATOM 0 HA LYS A 16 7.098 0.636 9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.908 -0.554 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.311 -1.436 9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.412 -2.989 9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.054 -2.120 7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.346 -4.095 7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.326 -2.677 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.624 -4.446 7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.546 -2.983 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.151 -5.123 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.970 -3.925 10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.663 -5.230 9.177 1.00 0.00 H new ATOM 273 N TYR A 17 5.492 1.094 7.939 1.00 0.00 N ATOM 274 CA TYR A 17 4.411 1.583 7.112 1.00 0.00 C ATOM 275 C TYR A 17 4.873 1.714 5.694 1.00 0.00 C ATOM 276 O TYR A 17 6.024 2.030 5.448 1.00 0.00 O ATOM 277 CB TYR A 17 3.882 2.942 7.618 1.00 0.00 C ATOM 278 CG TYR A 17 3.029 2.869 8.869 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.587 2.669 10.122 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.656 2.999 8.788 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.798 2.591 11.246 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.868 2.929 9.911 1.00 0.00 C ATOM 283 CZ TYR A 17 1.442 2.724 11.134 1.00 0.00 C ATOM 284 OH TYR A 17 0.650 2.633 12.254 1.00 0.00 O ATOM 0 H TYR A 17 6.390 1.545 7.764 1.00 0.00 H new ATOM 0 HA TYR A 17 3.595 0.863 7.166 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.732 3.596 7.813 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.297 3.406 6.824 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.658 2.573 10.217 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.194 3.158 7.825 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.248 2.425 12.214 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.203 3.036 9.827 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.153 2.112 12.045 1.00 0.00 H new ATOM 294 N VAL A 18 4.003 1.457 4.776 1.00 0.00 N ATOM 295 CA VAL A 18 4.328 1.605 3.384 1.00 0.00 C ATOM 296 C VAL A 18 3.753 2.914 2.891 1.00 0.00 C ATOM 297 O VAL A 18 2.618 3.265 3.231 1.00 0.00 O ATOM 298 CB VAL A 18 3.849 0.385 2.524 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.400 0.083 2.751 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.088 0.622 1.051 1.00 0.00 C ATOM 0 H VAL A 18 3.051 1.140 4.960 1.00 0.00 H new ATOM 0 HA VAL A 18 5.412 1.624 3.272 1.00 0.00 H new ATOM 0 HB VAL A 18 4.439 -0.473 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.105 -0.768 2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.238 -0.154 3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.800 0.951 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.745 -0.243 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.539 1.508 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.153 0.772 0.875 1.00 0.00 H new ATOM 310 N LYS A 19 4.543 3.650 2.155 1.00 0.00 N ATOM 311 CA LYS A 19 4.145 4.938 1.683 1.00 0.00 C ATOM 312 C LYS A 19 3.717 4.813 0.248 1.00 0.00 C ATOM 313 O LYS A 19 4.519 4.464 -0.627 1.00 0.00 O ATOM 314 CB LYS A 19 5.296 5.925 1.845 1.00 0.00 C ATOM 315 CG LYS A 19 4.925 7.376 1.602 1.00 0.00 C ATOM 316 CD LYS A 19 6.044 8.279 2.071 1.00 0.00 C ATOM 317 CE LYS A 19 5.626 9.733 2.100 1.00 0.00 C ATOM 318 NZ LYS A 19 6.596 10.548 2.850 1.00 0.00 N ATOM 0 H LYS A 19 5.480 3.368 1.869 1.00 0.00 H new ATOM 0 HA LYS A 19 3.305 5.317 2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.698 5.831 2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.094 5.648 1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.735 7.539 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.004 7.619 2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.362 7.974 3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.904 8.162 1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.540 10.110 1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.641 9.822 2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.303 11.546 2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.634 10.222 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.537 10.453 2.418 1.00 0.00 H new ATOM 332 N VAL A 20 2.475 5.076 0.013 1.00 0.00 N ATOM 333 CA VAL A 20 1.905 4.901 -1.279 1.00 0.00 C ATOM 334 C VAL A 20 1.339 6.222 -1.780 1.00 0.00 C ATOM 335 O VAL A 20 0.746 7.004 -1.018 1.00 0.00 O ATOM 336 CB VAL A 20 0.806 3.781 -1.267 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.352 4.132 -0.350 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.305 3.454 -2.671 1.00 0.00 C ATOM 0 H VAL A 20 1.823 5.421 0.718 1.00 0.00 H new ATOM 0 HA VAL A 20 2.689 4.577 -1.964 1.00 0.00 H new ATOM 0 HB VAL A 20 1.285 2.886 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.090 3.330 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.016 4.259 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.815 5.060 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.454 2.674 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.127 4.348 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.137 3.106 -3.283 1.00 0.00 H new ATOM 348 N ARG A 21 1.577 6.496 -3.022 1.00 0.00 N ATOM 349 CA ARG A 21 1.042 7.657 -3.647 1.00 0.00 C ATOM 350 C ARG A 21 -0.259 7.274 -4.302 1.00 0.00 C ATOM 351 O ARG A 21 -0.301 6.364 -5.143 1.00 0.00 O ATOM 352 CB ARG A 21 1.991 8.208 -4.715 1.00 0.00 C ATOM 353 CG ARG A 21 1.479 9.482 -5.384 1.00 0.00 C ATOM 354 CD ARG A 21 2.269 9.818 -6.647 1.00 0.00 C ATOM 355 NE ARG A 21 3.703 9.977 -6.413 1.00 0.00 N ATOM 356 CZ ARG A 21 4.675 9.472 -7.195 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.380 8.714 -8.252 1.00 0.00 N ATOM 358 NH2 ARG A 21 5.943 9.729 -6.911 1.00 0.00 N ATOM 0 H ARG A 21 2.152 5.916 -3.633 1.00 0.00 H new ATOM 0 HA ARG A 21 0.898 8.430 -2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.960 8.410 -4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.150 7.445 -5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.425 9.362 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.546 10.313 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.114 9.029 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.875 10.738 -7.078 1.00 0.00 H new ATOM 0 HE ARG A 21 3.989 10.512 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.406 8.510 -8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.128 8.339 -8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.178 10.307 -6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.685 9.349 -7.500 1.00 0.00 H new ATOM 372 N ILE A 22 -1.298 7.926 -3.913 1.00 0.00 N ATOM 373 CA ILE A 22 -2.575 7.718 -4.522 1.00 0.00 C ATOM 374 C ILE A 22 -2.597 8.621 -5.716 1.00 0.00 C ATOM 375 O ILE A 22 -2.426 9.841 -5.566 1.00 0.00 O ATOM 376 CB ILE A 22 -3.747 8.112 -3.586 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.651 7.420 -2.204 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.104 7.844 -4.253 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.518 5.914 -2.240 1.00 0.00 C ATOM 0 H ILE A 22 -1.292 8.619 -3.165 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.704 6.663 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.666 9.184 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.794 7.831 -1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.539 7.676 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.906 8.130 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.180 8.428 -5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.190 6.784 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.458 5.530 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.386 5.484 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.614 5.642 -2.784 1.00 0.00 H new ATOM 391 N LEU A 23 -2.756 8.062 -6.874 1.00 0.00 N ATOM 392 CA LEU A 23 -2.730 8.842 -8.067 1.00 0.00 C ATOM 393 C LEU A 23 -4.120 9.343 -8.315 1.00 0.00 C ATOM 394 O LEU A 23 -5.002 8.574 -8.676 1.00 0.00 O ATOM 395 CB LEU A 23 -2.295 7.979 -9.269 1.00 0.00 C ATOM 396 CG LEU A 23 -1.016 7.145 -9.105 1.00 0.00 C ATOM 397 CD1 LEU A 23 -0.703 6.383 -10.385 1.00 0.00 C ATOM 398 CD2 LEU A 23 0.154 8.011 -8.710 1.00 0.00 C ATOM 0 H LEU A 23 -2.906 7.063 -7.017 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.023 9.664 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.113 7.300 -9.512 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.162 8.637 -10.127 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.189 6.425 -8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.207 5.799 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.531 5.715 -10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.560 7.089 -11.203 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.045 7.392 -8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.326 8.763 -9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.062 8.505 -7.763 1.00 0.00 H new ATOM 410 N LYS A 24 -4.329 10.603 -8.138 1.00 0.00 N ATOM 411 CA LYS A 24 -5.613 11.146 -8.386 1.00 0.00 C ATOM 412 C LYS A 24 -5.602 11.600 -9.816 1.00 0.00 C ATOM 413 O LYS A 24 -4.993 12.625 -10.168 1.00 0.00 O ATOM 414 CB LYS A 24 -5.907 12.308 -7.429 1.00 0.00 C ATOM 415 CG LYS A 24 -7.303 12.892 -7.583 1.00 0.00 C ATOM 416 CD LYS A 24 -7.526 14.096 -6.672 1.00 0.00 C ATOM 417 CE LYS A 24 -7.539 13.737 -5.185 1.00 0.00 C ATOM 418 NZ LYS A 24 -8.627 12.802 -4.838 1.00 0.00 N ATOM 0 H LYS A 24 -3.627 11.272 -7.823 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.399 10.410 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.779 11.963 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.173 13.097 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.459 13.189 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.043 12.125 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.742 14.831 -6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.473 14.569 -6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.582 13.292 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.645 14.648 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.130 13.152 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.291 12.731 -5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.227 11.863 -4.636 1.00 0.00 H new ATOM 432 N SER A 25 -6.256 10.862 -10.640 1.00 0.00 N ATOM 433 CA SER A 25 -6.196 11.108 -12.018 1.00 0.00 C ATOM 434 C SER A 25 -7.281 12.035 -12.485 1.00 0.00 C ATOM 435 O SER A 25 -8.377 11.610 -12.865 1.00 0.00 O ATOM 436 CB SER A 25 -6.190 9.807 -12.799 1.00 0.00 C ATOM 437 OG SER A 25 -5.133 8.954 -12.350 1.00 0.00 O ATOM 0 H SER A 25 -6.844 10.074 -10.369 1.00 0.00 H new ATOM 0 HA SER A 25 -5.255 11.622 -12.213 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.148 9.301 -12.680 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.069 10.015 -13.862 1.00 0.00 H new ATOM 0 HG SER A 25 -5.433 8.445 -11.568 1.00 0.00 H new ATOM 443 N ARG A 26 -6.970 13.317 -12.417 1.00 0.00 N ATOM 444 CA ARG A 26 -7.801 14.373 -12.991 1.00 0.00 C ATOM 445 C ARG A 26 -7.639 14.298 -14.510 1.00 0.00 C ATOM 446 O ARG A 26 -8.371 14.916 -15.279 1.00 0.00 O ATOM 447 CB ARG A 26 -7.332 15.732 -12.467 1.00 0.00 C ATOM 448 CG ARG A 26 -7.519 15.926 -10.962 1.00 0.00 C ATOM 449 CD ARG A 26 -8.807 16.678 -10.614 1.00 0.00 C ATOM 450 NE ARG A 26 -10.047 16.028 -11.066 1.00 0.00 N ATOM 451 CZ ARG A 26 -11.205 16.680 -11.264 1.00 0.00 C ATOM 452 NH1 ARG A 26 -11.247 18.010 -11.173 1.00 0.00 N ATOM 453 NH2 ARG A 26 -12.307 16.001 -11.565 1.00 0.00 N ATOM 0 H ARG A 26 -6.127 13.663 -11.959 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.848 14.249 -12.716 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.277 15.857 -12.709 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.875 16.518 -12.993 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.530 14.952 -10.474 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.665 16.473 -10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.855 16.806 -9.533 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.757 17.675 -11.051 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.026 15.023 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.399 18.533 -10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.127 18.504 -11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.274 14.985 -11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.186 16.496 -11.715 1.00 0.00 H new ATOM 467 N ASP A 27 -6.625 13.533 -14.893 1.00 0.00 N ATOM 468 CA ASP A 27 -6.267 13.188 -16.257 1.00 0.00 C ATOM 469 C ASP A 27 -7.452 12.492 -16.892 1.00 0.00 C ATOM 470 O ASP A 27 -7.930 12.875 -17.966 1.00 0.00 O ATOM 471 CB ASP A 27 -5.093 12.194 -16.197 1.00 0.00 C ATOM 472 CG ASP A 27 -3.966 12.655 -15.303 1.00 0.00 C ATOM 473 OD1 ASP A 27 -4.104 12.570 -14.042 1.00 0.00 O ATOM 474 OD2 ASP A 27 -2.939 13.122 -15.817 1.00 0.00 O ATOM 0 H ASP A 27 -5.992 13.111 -14.213 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.994 14.075 -16.829 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.459 11.231 -15.841 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.707 12.036 -17.204 1.00 0.00 H new ATOM 479 N ASP A 28 -7.926 11.468 -16.200 1.00 0.00 N ATOM 480 CA ASP A 28 -9.114 10.737 -16.593 1.00 0.00 C ATOM 481 C ASP A 28 -10.303 11.584 -16.228 1.00 0.00 C ATOM 482 O ASP A 28 -11.062 12.020 -17.095 1.00 0.00 O ATOM 483 CB ASP A 28 -9.212 9.391 -15.836 1.00 0.00 C ATOM 484 CG ASP A 28 -8.086 8.425 -16.135 1.00 0.00 C ATOM 485 OD1 ASP A 28 -6.945 8.669 -15.700 1.00 0.00 O ATOM 486 OD2 ASP A 28 -8.326 7.400 -16.777 1.00 0.00 O ATOM 0 H ASP A 28 -7.492 11.121 -15.345 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.078 10.527 -17.662 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.229 9.591 -14.765 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.160 8.915 -16.087 1.00 0.00 H new ATOM 491 N ASN A 29 -10.412 11.858 -14.934 1.00 0.00 N ATOM 492 CA ASN A 29 -11.455 12.693 -14.336 1.00 0.00 C ATOM 493 C ASN A 29 -11.255 12.714 -12.834 1.00 0.00 C ATOM 494 O ASN A 29 -10.659 13.638 -12.301 1.00 0.00 O ATOM 495 CB ASN A 29 -12.893 12.225 -14.672 1.00 0.00 C ATOM 496 CG ASN A 29 -13.959 13.096 -14.004 1.00 0.00 C ATOM 497 OD1 ASN A 29 -13.749 14.282 -13.762 1.00 0.00 O ATOM 498 ND2 ASN A 29 -15.084 12.521 -13.704 1.00 0.00 N ATOM 0 H ASN A 29 -9.755 11.493 -14.245 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.358 13.692 -14.761 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.036 12.245 -15.752 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.020 11.191 -14.353 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.826 13.056 -13.253 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.226 11.534 -13.919 1.00 0.00 H new ATOM 505 N SER A 30 -11.695 11.680 -12.162 1.00 0.00 N ATOM 506 CA SER A 30 -11.526 11.589 -10.726 1.00 0.00 C ATOM 507 C SER A 30 -11.181 10.166 -10.339 1.00 0.00 C ATOM 508 O SER A 30 -11.357 9.750 -9.197 1.00 0.00 O ATOM 509 CB SER A 30 -12.792 12.081 -10.015 1.00 0.00 C ATOM 510 OG SER A 30 -13.063 13.453 -10.338 1.00 0.00 O ATOM 0 H SER A 30 -12.175 10.885 -12.584 1.00 0.00 H new ATOM 0 HA SER A 30 -10.702 12.230 -10.412 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.640 11.461 -10.305 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.673 11.974 -8.937 1.00 0.00 H new ATOM 0 HG SER A 30 -13.876 13.744 -9.874 1.00 0.00 H new ATOM 516 N VAL A 31 -10.640 9.458 -11.301 1.00 0.00 N ATOM 517 CA VAL A 31 -10.247 8.073 -11.118 1.00 0.00 C ATOM 518 C VAL A 31 -8.978 8.050 -10.298 1.00 0.00 C ATOM 519 O VAL A 31 -8.013 8.710 -10.648 1.00 0.00 O ATOM 520 CB VAL A 31 -9.995 7.366 -12.485 1.00 0.00 C ATOM 521 CG1 VAL A 31 -9.576 5.912 -12.291 1.00 0.00 C ATOM 522 CG2 VAL A 31 -11.232 7.445 -13.369 1.00 0.00 C ATOM 0 H VAL A 31 -10.458 9.822 -12.236 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.051 7.539 -10.612 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.177 7.890 -12.980 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.408 5.449 -13.263 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.656 5.873 -11.707 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.364 5.374 -11.764 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.034 6.946 -14.317 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.068 6.956 -12.869 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.481 8.490 -13.554 1.00 0.00 H new ATOM 532 N GLU A 32 -8.983 7.354 -9.207 1.00 0.00 N ATOM 533 CA GLU A 32 -7.816 7.316 -8.376 1.00 0.00 C ATOM 534 C GLU A 32 -7.123 5.983 -8.493 1.00 0.00 C ATOM 535 O GLU A 32 -7.664 4.940 -8.105 1.00 0.00 O ATOM 536 CB GLU A 32 -8.152 7.666 -6.933 1.00 0.00 C ATOM 537 CG GLU A 32 -8.833 9.012 -6.822 1.00 0.00 C ATOM 538 CD GLU A 32 -9.080 9.448 -5.419 1.00 0.00 C ATOM 539 OE1 GLU A 32 -10.126 9.094 -4.845 1.00 0.00 O ATOM 540 OE2 GLU A 32 -8.250 10.179 -4.855 1.00 0.00 O ATOM 0 H GLU A 32 -9.775 6.807 -8.869 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.119 8.077 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.800 6.896 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.238 7.672 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.220 9.761 -7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.784 8.972 -7.353 1.00 0.00 H new ATOM 547 N LYS A 33 -5.947 6.019 -9.053 1.00 0.00 N ATOM 548 CA LYS A 33 -5.145 4.841 -9.260 1.00 0.00 C ATOM 549 C LYS A 33 -4.107 4.806 -8.159 1.00 0.00 C ATOM 550 O LYS A 33 -4.066 5.711 -7.323 1.00 0.00 O ATOM 551 CB LYS A 33 -4.430 4.889 -10.621 1.00 0.00 C ATOM 552 CG LYS A 33 -5.310 5.255 -11.805 1.00 0.00 C ATOM 553 CD LYS A 33 -4.555 5.078 -13.116 1.00 0.00 C ATOM 554 CE LYS A 33 -5.338 5.627 -14.295 1.00 0.00 C ATOM 555 NZ LYS A 33 -5.311 7.104 -14.340 1.00 0.00 N ATOM 0 H LYS A 33 -5.510 6.879 -9.384 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.781 3.956 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.615 5.610 -10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.980 3.914 -10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.203 4.630 -11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.645 6.288 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.592 5.584 -13.052 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.349 4.020 -13.277 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.924 5.229 -15.222 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.371 5.285 -14.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.165 7.452 -14.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.282 7.480 -13.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.468 7.420 -14.860 1.00 0.00 H new ATOM 569 N TYR A 34 -3.267 3.817 -8.143 1.00 0.00 N ATOM 570 CA TYR A 34 -2.259 3.740 -7.119 1.00 0.00 C ATOM 571 C TYR A 34 -0.900 3.595 -7.766 1.00 0.00 C ATOM 572 O TYR A 34 -0.797 3.094 -8.890 1.00 0.00 O ATOM 573 CB TYR A 34 -2.548 2.580 -6.148 1.00 0.00 C ATOM 574 CG TYR A 34 -3.949 2.627 -5.552 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.375 3.714 -4.793 1.00 0.00 C ATOM 576 CD2 TYR A 34 -4.844 1.591 -5.758 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.655 3.765 -4.264 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.117 1.634 -5.232 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.515 2.718 -4.489 1.00 0.00 C ATOM 580 OH TYR A 34 -7.780 2.751 -3.961 1.00 0.00 O ATOM 0 H TYR A 34 -3.255 3.054 -8.820 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.271 4.658 -6.532 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.416 1.634 -6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.816 2.601 -5.340 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.695 4.533 -4.613 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.539 0.734 -6.341 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.972 4.618 -3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.801 0.816 -5.404 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.261 1.936 -4.214 1.00 0.00 H new ATOM 590 N VAL A 35 0.123 4.085 -7.092 1.00 0.00 N ATOM 591 CA VAL A 35 1.483 4.004 -7.592 1.00 0.00 C ATOM 592 C VAL A 35 1.967 2.545 -7.523 1.00 0.00 C ATOM 593 O VAL A 35 1.445 1.751 -6.740 1.00 0.00 O ATOM 594 CB VAL A 35 2.436 4.945 -6.782 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.670 4.445 -5.368 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.749 5.203 -7.502 1.00 0.00 C ATOM 0 H VAL A 35 0.036 4.548 -6.187 1.00 0.00 H new ATOM 0 HA VAL A 35 1.499 4.337 -8.630 1.00 0.00 H new ATOM 0 HB VAL A 35 1.921 5.903 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.337 5.130 -4.845 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.718 4.391 -4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.123 3.454 -5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.373 5.861 -6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.268 4.258 -7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.550 5.675 -8.464 1.00 0.00 H new ATOM 606 N LEU A 36 2.944 2.201 -8.332 1.00 0.00 N ATOM 607 CA LEU A 36 3.426 0.838 -8.392 1.00 0.00 C ATOM 608 C LEU A 36 4.507 0.562 -7.327 1.00 0.00 C ATOM 609 O LEU A 36 4.985 -0.565 -7.187 1.00 0.00 O ATOM 610 CB LEU A 36 3.920 0.510 -9.815 1.00 0.00 C ATOM 611 CG LEU A 36 4.276 -0.958 -10.111 1.00 0.00 C ATOM 612 CD1 LEU A 36 3.072 -1.870 -9.886 1.00 0.00 C ATOM 613 CD2 LEU A 36 4.781 -1.103 -11.535 1.00 0.00 C ATOM 0 H LEU A 36 3.422 2.848 -8.959 1.00 0.00 H new ATOM 0 HA LEU A 36 2.594 0.173 -8.161 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.150 0.820 -10.521 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.801 1.119 -10.016 1.00 0.00 H new ATOM 0 HG LEU A 36 5.066 -1.258 -9.423 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.351 -2.901 -10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.746 -1.792 -8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.259 -1.568 -10.546 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.029 -2.147 -11.729 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.007 -0.778 -12.230 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.671 -0.488 -11.670 1.00 0.00 H new ATOM 625 N THR A 37 4.915 1.575 -6.584 1.00 0.00 N ATOM 626 CA THR A 37 5.913 1.318 -5.592 1.00 0.00 C ATOM 627 C THR A 37 5.266 0.972 -4.254 1.00 0.00 C ATOM 628 O THR A 37 4.171 1.425 -3.928 1.00 0.00 O ATOM 629 CB THR A 37 6.999 2.456 -5.441 1.00 0.00 C ATOM 630 OG1 THR A 37 8.110 1.966 -4.670 1.00 0.00 O ATOM 631 CG2 THR A 37 6.456 3.702 -4.744 1.00 0.00 C ATOM 0 H THR A 37 4.583 2.537 -6.650 1.00 0.00 H new ATOM 0 HA THR A 37 6.471 0.453 -5.950 1.00 0.00 H new ATOM 0 HB THR A 37 7.303 2.732 -6.451 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.783 2.673 -4.579 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.246 4.450 -4.668 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.625 4.109 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.109 3.438 -3.745 1.00 0.00 H new ATOM 639 N SER A 38 5.961 0.168 -3.511 1.00 0.00 N ATOM 640 CA SER A 38 5.540 -0.313 -2.230 1.00 0.00 C ATOM 641 C SER A 38 6.595 0.095 -1.204 1.00 0.00 C ATOM 642 O SER A 38 6.797 -0.579 -0.196 1.00 0.00 O ATOM 643 CB SER A 38 5.397 -1.825 -2.303 1.00 0.00 C ATOM 644 OG SER A 38 4.561 -2.197 -3.390 1.00 0.00 O ATOM 0 H SER A 38 6.875 -0.186 -3.791 1.00 0.00 H new ATOM 0 HA SER A 38 4.579 0.109 -1.938 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.379 -2.283 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.978 -2.201 -1.370 1.00 0.00 H new ATOM 0 HG SER A 38 4.482 -3.173 -3.423 1.00 0.00 H new ATOM 650 N HIS A 39 7.290 1.191 -1.527 1.00 0.00 N ATOM 651 CA HIS A 39 8.368 1.768 -0.711 1.00 0.00 C ATOM 652 C HIS A 39 7.972 1.844 0.771 1.00 0.00 C ATOM 653 O HIS A 39 7.050 2.582 1.150 1.00 0.00 O ATOM 654 CB HIS A 39 8.697 3.186 -1.210 1.00 0.00 C ATOM 655 CG HIS A 39 9.935 3.775 -0.597 1.00 0.00 C ATOM 656 ND1 HIS A 39 9.976 4.347 0.656 1.00 0.00 N ATOM 657 CD2 HIS A 39 11.187 3.835 -1.071 1.00 0.00 C ATOM 658 CE1 HIS A 39 11.208 4.725 0.923 1.00 0.00 C ATOM 659 NE2 HIS A 39 11.968 4.425 -0.108 1.00 0.00 N ATOM 0 H HIS A 39 7.115 1.716 -2.384 1.00 0.00 H new ATOM 0 HA HIS A 39 9.239 1.120 -0.807 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.816 3.161 -2.293 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.852 3.841 -0.998 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.521 3.483 -2.036 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.539 5.201 1.834 1.00 0.00 H new ATOM 0 HE2 HIS A 39 12.970 4.601 -0.180 1.00 0.00 H new ATOM 668 N VAL A 40 8.681 1.123 1.591 1.00 0.00 N ATOM 669 CA VAL A 40 8.380 1.073 2.998 1.00 0.00 C ATOM 670 C VAL A 40 9.188 2.033 3.816 1.00 0.00 C ATOM 671 O VAL A 40 10.270 2.473 3.422 1.00 0.00 O ATOM 672 CB VAL A 40 8.460 -0.346 3.613 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.251 -1.144 3.216 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.727 -1.070 3.172 1.00 0.00 C ATOM 0 H VAL A 40 9.480 0.555 1.308 1.00 0.00 H new ATOM 0 HA VAL A 40 7.337 1.387 3.042 1.00 0.00 H new ATOM 0 HB VAL A 40 8.489 -0.243 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.314 -2.141 3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.351 -0.646 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.209 -1.225 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.753 -2.063 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.734 -1.162 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.601 -0.503 3.494 1.00 0.00 H new ATOM 684 N SER A 41 8.625 2.375 4.922 1.00 0.00 N ATOM 685 CA SER A 41 9.209 3.226 5.885 1.00 0.00 C ATOM 686 C SER A 41 9.457 2.374 7.116 1.00 0.00 C ATOM 687 O SER A 41 8.550 1.672 7.588 1.00 0.00 O ATOM 688 CB SER A 41 8.219 4.334 6.208 1.00 0.00 C ATOM 689 OG SER A 41 7.642 4.835 5.004 1.00 0.00 O ATOM 0 H SER A 41 7.696 2.049 5.188 1.00 0.00 H new ATOM 0 HA SER A 41 10.138 3.675 5.533 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.437 3.955 6.866 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.723 5.139 6.743 1.00 0.00 H new ATOM 0 HG SER A 41 7.973 5.742 4.836 1.00 0.00 H new ATOM 695 N LYS A 42 10.667 2.392 7.595 1.00 0.00 N ATOM 696 CA LYS A 42 11.059 1.603 8.752 1.00 0.00 C ATOM 697 C LYS A 42 10.660 2.303 10.044 1.00 0.00 C ATOM 698 O LYS A 42 10.692 1.710 11.131 1.00 0.00 O ATOM 699 CB LYS A 42 12.558 1.326 8.684 1.00 0.00 C ATOM 700 CG LYS A 42 12.924 0.372 7.549 1.00 0.00 C ATOM 701 CD LYS A 42 14.407 0.382 7.220 1.00 0.00 C ATOM 702 CE LYS A 42 14.812 1.694 6.561 1.00 0.00 C ATOM 703 NZ LYS A 42 16.220 1.689 6.115 1.00 0.00 N ATOM 0 H LYS A 42 11.421 2.954 7.200 1.00 0.00 H new ATOM 0 HA LYS A 42 10.534 0.648 8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.093 2.267 8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.890 0.902 9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.625 -0.640 7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.358 0.642 6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.986 0.235 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.641 -0.450 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.163 1.883 5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.659 2.513 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.448 2.603 5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.843 1.535 6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.362 0.925 5.424 1.00 0.00 H new ATOM 717 N ASN A 43 10.294 3.551 9.904 1.00 0.00 N ATOM 718 CA ASN A 43 9.818 4.376 10.962 1.00 0.00 C ATOM 719 C ASN A 43 8.356 4.705 10.710 1.00 0.00 C ATOM 720 O ASN A 43 7.872 4.570 9.580 1.00 0.00 O ATOM 721 CB ASN A 43 10.647 5.661 11.034 1.00 0.00 C ATOM 722 CG ASN A 43 10.742 6.407 9.708 1.00 0.00 C ATOM 723 OD1 ASN A 43 9.904 7.246 9.375 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.786 6.124 8.956 1.00 0.00 N ATOM 0 H ASN A 43 10.325 4.033 9.005 1.00 0.00 H new ATOM 0 HA ASN A 43 9.913 3.851 11.912 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.210 6.323 11.782 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.653 5.415 11.375 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.920 6.606 8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.461 5.423 9.263 1.00 0.00 H new ATOM 731 N ARG A 44 7.654 5.104 11.742 1.00 0.00 N ATOM 732 CA ARG A 44 6.256 5.440 11.619 1.00 0.00 C ATOM 733 C ARG A 44 6.092 6.934 11.361 1.00 0.00 C ATOM 734 O ARG A 44 6.856 7.743 11.907 1.00 0.00 O ATOM 735 CB ARG A 44 5.474 5.072 12.889 1.00 0.00 C ATOM 736 CG ARG A 44 5.476 3.600 13.263 1.00 0.00 C ATOM 737 CD ARG A 44 4.442 3.336 14.357 1.00 0.00 C ATOM 738 NE ARG A 44 4.402 1.930 14.798 1.00 0.00 N ATOM 739 CZ ARG A 44 3.272 1.224 15.017 1.00 0.00 C ATOM 740 NH1 ARG A 44 2.095 1.674 14.579 1.00 0.00 N ATOM 741 NH2 ARG A 44 3.328 0.044 15.628 1.00 0.00 N ATOM 0 H ARG A 44 8.031 5.205 12.684 1.00 0.00 H new ATOM 0 HA ARG A 44 5.859 4.868 10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.885 5.640 13.723 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.440 5.394 12.763 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.252 2.993 12.386 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.467 3.306 13.609 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.661 3.972 15.215 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.456 3.623 13.991 1.00 0.00 H new ATOM 0 HE ARG A 44 5.293 1.456 14.949 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.043 2.559 14.074 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.247 1.133 14.749 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.227 -0.330 15.933 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.472 -0.487 15.792 1.00 0.00 H new ATOM 755 N PRO A 45 5.120 7.330 10.527 1.00 0.00 N ATOM 756 CA PRO A 45 4.816 8.743 10.280 1.00 0.00 C ATOM 757 C PRO A 45 4.088 9.364 11.471 1.00 0.00 C ATOM 758 O PRO A 45 3.542 8.645 12.336 1.00 0.00 O ATOM 759 CB PRO A 45 3.864 8.703 9.087 1.00 0.00 C ATOM 760 CG PRO A 45 3.229 7.361 9.149 1.00 0.00 C ATOM 761 CD PRO A 45 4.255 6.436 9.736 1.00 0.00 C ATOM 0 HA PRO A 45 5.717 9.332 10.112 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.119 9.496 9.150 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.401 8.843 8.149 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.330 7.385 9.764 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.927 7.027 8.156 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.794 5.670 10.360 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.818 5.918 8.960 1.00 0.00 H new ATOM 769 N LYS A 46 4.074 10.664 11.523 1.00 0.00 N ATOM 770 CA LYS A 46 3.372 11.368 12.570 1.00 0.00 C ATOM 771 C LYS A 46 2.081 11.915 11.988 1.00 0.00 C ATOM 772 O LYS A 46 0.987 11.384 12.234 1.00 0.00 O ATOM 773 CB LYS A 46 4.220 12.526 13.117 1.00 0.00 C ATOM 774 CG LYS A 46 5.588 12.141 13.661 1.00 0.00 C ATOM 775 CD LYS A 46 5.499 11.178 14.829 1.00 0.00 C ATOM 776 CE LYS A 46 6.879 10.910 15.399 1.00 0.00 C ATOM 777 NZ LYS A 46 6.840 9.967 16.535 1.00 0.00 N ATOM 0 H LYS A 46 4.544 11.268 10.848 1.00 0.00 H new ATOM 0 HA LYS A 46 3.167 10.683 13.393 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.358 13.258 12.322 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.659 13.020 13.911 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.178 11.687 12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.117 13.041 13.976 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.853 11.593 15.603 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.045 10.242 14.503 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.521 10.507 14.616 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.325 11.850 15.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.805 9.814 16.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.248 10.362 17.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.439 9.060 16.220 1.00 0.00 H new ATOM 791 N ASN A 47 2.218 12.909 11.138 1.00 0.00 N ATOM 792 CA ASN A 47 1.082 13.514 10.493 1.00 0.00 C ATOM 793 C ASN A 47 0.952 12.991 9.100 1.00 0.00 C ATOM 794 O ASN A 47 1.619 13.460 8.170 1.00 0.00 O ATOM 795 CB ASN A 47 1.143 15.049 10.503 1.00 0.00 C ATOM 796 CG ASN A 47 -0.016 15.714 9.747 1.00 0.00 C ATOM 797 OD1 ASN A 47 -1.118 15.158 9.612 1.00 0.00 O ATOM 798 ND2 ASN A 47 0.208 16.914 9.281 1.00 0.00 N ATOM 0 H ASN A 47 3.116 13.316 10.878 1.00 0.00 H new ATOM 0 HA ASN A 47 0.195 13.240 11.065 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.140 15.398 11.536 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.086 15.370 10.061 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.532 17.418 8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.123 17.347 9.406 1.00 0.00 H new ATOM 805 N ALA A 48 0.192 11.955 8.997 1.00 0.00 N ATOM 806 CA ALA A 48 -0.156 11.341 7.768 1.00 0.00 C ATOM 807 C ALA A 48 -1.400 10.547 8.014 1.00 0.00 C ATOM 808 O ALA A 48 -1.692 10.209 9.174 1.00 0.00 O ATOM 809 CB ALA A 48 0.955 10.438 7.280 1.00 0.00 C ATOM 0 H ALA A 48 -0.221 11.494 9.807 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.317 12.095 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.663 9.979 6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.862 11.024 7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.142 9.659 8.019 1.00 0.00 H new ATOM 815 N ILE A 49 -2.145 10.296 6.994 1.00 0.00 N ATOM 816 CA ILE A 49 -3.343 9.506 7.104 1.00 0.00 C ATOM 817 C ILE A 49 -2.994 8.071 6.765 1.00 0.00 C ATOM 818 O ILE A 49 -2.251 7.818 5.800 1.00 0.00 O ATOM 819 CB ILE A 49 -4.454 10.041 6.151 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.788 11.515 6.480 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.715 9.172 6.209 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.306 11.755 7.892 1.00 0.00 C ATOM 0 H ILE A 49 -1.948 10.630 6.051 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.733 9.567 8.120 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.069 9.991 5.133 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.892 12.118 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.534 11.871 5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.467 9.576 5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.469 8.153 5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.108 9.168 7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.512 12.817 8.028 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.222 11.185 8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.555 11.436 8.614 1.00 0.00 H new ATOM 834 N VAL A 50 -3.465 7.144 7.563 1.00 0.00 N ATOM 835 CA VAL A 50 -3.157 5.765 7.333 1.00 0.00 C ATOM 836 C VAL A 50 -4.384 4.967 6.937 1.00 0.00 C ATOM 837 O VAL A 50 -5.478 5.140 7.488 1.00 0.00 O ATOM 838 CB VAL A 50 -2.417 5.099 8.526 1.00 0.00 C ATOM 839 CG1 VAL A 50 -1.078 5.767 8.752 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.241 5.146 9.798 1.00 0.00 C ATOM 0 H VAL A 50 -4.060 7.324 8.372 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.465 5.754 6.491 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.260 4.051 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.571 5.290 9.591 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.467 5.669 7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.231 6.823 8.973 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.688 4.670 10.608 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.447 6.184 10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.182 4.618 9.642 1.00 0.00 H new ATOM 850 N ILE A 51 -4.205 4.147 5.952 1.00 0.00 N ATOM 851 CA ILE A 51 -5.234 3.259 5.463 1.00 0.00 C ATOM 852 C ILE A 51 -4.765 1.853 5.777 1.00 0.00 C ATOM 853 O ILE A 51 -3.670 1.501 5.410 1.00 0.00 O ATOM 854 CB ILE A 51 -5.399 3.413 3.926 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.751 4.864 3.550 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.455 2.456 3.409 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.851 5.110 2.052 1.00 0.00 C ATOM 0 H ILE A 51 -3.322 4.067 5.447 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.194 3.483 5.928 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.447 3.167 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.701 5.128 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.995 5.530 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.559 2.576 2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.158 1.431 3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.409 2.671 3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.102 6.155 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.896 4.879 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.627 4.472 1.630 1.00 0.00 H new ATOM 869 N LYS A 52 -5.551 1.065 6.459 1.00 0.00 N ATOM 870 CA LYS A 52 -5.086 -0.253 6.869 1.00 0.00 C ATOM 871 C LYS A 52 -5.285 -1.259 5.734 1.00 0.00 C ATOM 872 O LYS A 52 -6.152 -1.055 4.875 1.00 0.00 O ATOM 873 CB LYS A 52 -5.795 -0.682 8.158 1.00 0.00 C ATOM 874 CG LYS A 52 -5.129 -1.815 8.919 1.00 0.00 C ATOM 875 CD LYS A 52 -5.797 -2.010 10.265 1.00 0.00 C ATOM 876 CE LYS A 52 -5.002 -2.943 11.159 1.00 0.00 C ATOM 877 NZ LYS A 52 -5.593 -3.021 12.508 1.00 0.00 N ATOM 0 H LYS A 52 -6.503 1.297 6.744 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.018 -0.215 7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.869 0.183 8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.813 -0.982 7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.189 -2.736 8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.071 -1.595 9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.911 -1.044 10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.799 -2.413 10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.971 -3.938 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.972 -2.593 11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.029 -3.666 13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.600 -2.075 12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.568 -3.378 12.440 1.00 0.00 H new ATOM 891 N MET A 53 -4.491 -2.355 5.767 1.00 0.00 N ATOM 892 CA MET A 53 -4.425 -3.414 4.714 1.00 0.00 C ATOM 893 C MET A 53 -5.793 -3.815 4.196 1.00 0.00 C ATOM 894 O MET A 53 -5.999 -3.964 2.996 1.00 0.00 O ATOM 895 CB MET A 53 -3.748 -4.689 5.256 1.00 0.00 C ATOM 896 CG MET A 53 -2.278 -4.568 5.637 1.00 0.00 C ATOM 897 SD MET A 53 -1.636 -6.140 6.276 1.00 0.00 S ATOM 898 CE MET A 53 0.080 -5.746 6.564 1.00 0.00 C ATOM 0 H MET A 53 -3.858 -2.539 6.546 1.00 0.00 H new ATOM 0 HA MET A 53 -3.847 -2.978 3.899 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.302 -5.023 6.134 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.842 -5.472 4.503 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.698 -4.262 4.767 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.157 -3.790 6.390 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.706 -6.338 5.897 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.247 -4.686 6.373 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.337 -5.973 7.599 1.00 0.00 H new ATOM 908 N ASP A 54 -6.715 -3.939 5.115 1.00 0.00 N ATOM 909 CA ASP A 54 -8.083 -4.403 4.848 1.00 0.00 C ATOM 910 C ASP A 54 -8.842 -3.550 3.809 1.00 0.00 C ATOM 911 O ASP A 54 -9.690 -4.058 3.082 1.00 0.00 O ATOM 912 CB ASP A 54 -8.865 -4.493 6.163 1.00 0.00 C ATOM 913 CG ASP A 54 -10.328 -4.817 5.966 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.651 -5.923 5.477 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.181 -3.983 6.334 1.00 0.00 O ATOM 0 H ASP A 54 -6.548 -3.719 6.097 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.997 -5.393 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.413 -5.257 6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.778 -3.546 6.695 1.00 0.00 H new ATOM 920 N ASN A 55 -8.505 -2.287 3.704 1.00 0.00 N ATOM 921 CA ASN A 55 -9.205 -1.396 2.773 1.00 0.00 C ATOM 922 C ASN A 55 -8.729 -1.579 1.333 1.00 0.00 C ATOM 923 O ASN A 55 -9.509 -1.426 0.388 1.00 0.00 O ATOM 924 CB ASN A 55 -9.038 0.075 3.198 1.00 0.00 C ATOM 925 CG ASN A 55 -9.674 1.075 2.222 1.00 0.00 C ATOM 926 OD1 ASN A 55 -10.850 1.418 2.343 1.00 0.00 O ATOM 927 ND2 ASN A 55 -8.897 1.562 1.273 1.00 0.00 N ATOM 0 H ASN A 55 -7.759 -1.844 4.241 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.261 -1.664 2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.481 0.212 4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.975 0.298 3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.267 2.244 0.611 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.927 1.256 1.201 1.00 0.00 H new ATOM 934 N LEU A 56 -7.482 -1.958 1.178 1.00 0.00 N ATOM 935 CA LEU A 56 -6.843 -2.001 -0.130 1.00 0.00 C ATOM 936 C LEU A 56 -7.383 -3.107 -1.032 1.00 0.00 C ATOM 937 O LEU A 56 -7.701 -4.209 -0.563 1.00 0.00 O ATOM 938 CB LEU A 56 -5.305 -2.110 -0.023 1.00 0.00 C ATOM 939 CG LEU A 56 -4.538 -0.894 0.533 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.871 0.379 -0.237 1.00 0.00 C ATOM 941 CD2 LEU A 56 -4.778 -0.715 2.015 1.00 0.00 C ATOM 0 H LEU A 56 -6.878 -2.246 1.948 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.095 -1.049 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.073 -2.969 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.914 -2.327 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.476 -1.094 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.312 1.215 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.600 0.252 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.939 0.582 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.221 0.152 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.842 -0.562 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.444 -1.605 2.548 1.00 0.00 H new ATOM 953 N PRO A 57 -7.525 -2.812 -2.347 1.00 0.00 N ATOM 954 CA PRO A 57 -7.949 -3.796 -3.350 1.00 0.00 C ATOM 955 C PRO A 57 -6.975 -4.981 -3.438 1.00 0.00 C ATOM 956 O PRO A 57 -5.805 -4.890 -2.985 1.00 0.00 O ATOM 957 CB PRO A 57 -7.913 -3.005 -4.662 1.00 0.00 C ATOM 958 CG PRO A 57 -8.061 -1.596 -4.254 1.00 0.00 C ATOM 959 CD PRO A 57 -7.333 -1.478 -2.957 1.00 0.00 C ATOM 0 HA PRO A 57 -8.923 -4.224 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.977 -3.166 -5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.718 -3.310 -5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.641 -0.924 -5.003 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.112 -1.329 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.278 -1.250 -3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.746 -0.685 -2.333 1.00 0.00 H new ATOM 967 N ILE A 58 -7.431 -6.071 -4.047 1.00 0.00 N ATOM 968 CA ILE A 58 -6.635 -7.287 -4.165 1.00 0.00 C ATOM 969 C ILE A 58 -5.303 -7.093 -4.896 1.00 0.00 C ATOM 970 O ILE A 58 -4.316 -7.725 -4.538 1.00 0.00 O ATOM 971 CB ILE A 58 -7.445 -8.531 -4.686 1.00 0.00 C ATOM 972 CG1 ILE A 58 -8.276 -8.246 -5.966 1.00 0.00 C ATOM 973 CG2 ILE A 58 -8.337 -9.085 -3.587 1.00 0.00 C ATOM 974 CD1 ILE A 58 -7.480 -8.102 -7.248 1.00 0.00 C ATOM 0 H ILE A 58 -8.357 -6.136 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.365 -7.527 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.702 -9.277 -4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.997 -9.053 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.847 -7.331 -5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.890 -9.945 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.723 -9.392 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.039 -8.316 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.159 -7.905 -8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.778 -7.274 -7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.930 -9.023 -7.440 1.00 0.00 H new ATOM 986 N GLU A 59 -5.272 -6.184 -5.871 1.00 0.00 N ATOM 987 CA GLU A 59 -4.047 -5.874 -6.605 1.00 0.00 C ATOM 988 C GLU A 59 -2.986 -5.301 -5.702 1.00 0.00 C ATOM 989 O GLU A 59 -1.811 -5.670 -5.780 1.00 0.00 O ATOM 990 CB GLU A 59 -4.322 -4.885 -7.731 1.00 0.00 C ATOM 991 CG GLU A 59 -4.925 -5.512 -8.952 1.00 0.00 C ATOM 992 CD GLU A 59 -4.001 -6.541 -9.524 1.00 0.00 C ATOM 993 OE1 GLU A 59 -2.914 -6.171 -10.022 1.00 0.00 O ATOM 994 OE2 GLU A 59 -4.320 -7.725 -9.493 1.00 0.00 O ATOM 0 H GLU A 59 -6.086 -5.648 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.685 -6.814 -7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.992 -4.108 -7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.388 -4.396 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.879 -5.973 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.131 -4.745 -9.698 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.411 -4.433 -4.826 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.512 -3.734 -3.954 1.00 0.00 C ATOM 1003 C VAL A 60 -1.979 -4.679 -2.894 1.00 0.00 C ATOM 1004 O VAL A 60 -0.777 -4.797 -2.731 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.198 -2.508 -3.300 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.213 -1.700 -2.472 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.851 -1.627 -4.357 1.00 0.00 C ATOM 0 H VAL A 60 -4.393 -4.191 -4.697 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.678 -3.363 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.973 -2.882 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.726 -0.847 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.800 -2.328 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.405 -1.344 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.326 -0.773 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.092 -1.274 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.602 -2.203 -4.897 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.878 -5.408 -2.231 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.477 -6.347 -1.176 1.00 0.00 C ATOM 1019 C LYS A 61 -1.546 -7.433 -1.723 1.00 0.00 C ATOM 1020 O LYS A 61 -0.618 -7.887 -1.034 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.703 -6.964 -0.483 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.582 -5.938 0.228 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.729 -6.580 1.011 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.702 -7.340 0.120 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.855 -7.861 0.895 1.00 0.00 N ATOM 0 H LYS A 61 -3.883 -5.369 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.922 -5.782 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.302 -7.492 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.366 -7.706 0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.967 -5.350 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.993 -5.246 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.317 -7.262 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.270 -5.805 1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.062 -6.683 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.184 -8.168 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.498 -8.373 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.513 -8.507 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.363 -7.068 1.336 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.778 -7.808 -2.972 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.949 -8.781 -3.672 1.00 0.00 C ATOM 1041 C ASP A 62 0.472 -8.248 -3.828 1.00 0.00 C ATOM 1042 O ASP A 62 1.439 -8.855 -3.355 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.554 -9.089 -5.058 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.706 -10.013 -5.911 1.00 0.00 C ATOM 1045 OD1 ASP A 62 0.209 -9.535 -6.594 1.00 0.00 O ATOM 1046 OD2 ASP A 62 -0.953 -11.242 -5.930 1.00 0.00 O ATOM 0 H ASP A 62 -2.550 -7.445 -3.532 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.916 -9.700 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.538 -9.538 -4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.703 -8.152 -5.594 1.00 0.00 H new ATOM 1051 N LYS A 63 0.582 -7.082 -4.427 1.00 0.00 N ATOM 1052 CA LYS A 63 1.860 -6.473 -4.714 1.00 0.00 C ATOM 1053 C LYS A 63 2.612 -6.020 -3.451 1.00 0.00 C ATOM 1054 O LYS A 63 3.841 -6.157 -3.378 1.00 0.00 O ATOM 1055 CB LYS A 63 1.676 -5.365 -5.744 1.00 0.00 C ATOM 1056 CG LYS A 63 1.216 -5.930 -7.085 1.00 0.00 C ATOM 1057 CD LYS A 63 0.876 -4.856 -8.103 1.00 0.00 C ATOM 1058 CE LYS A 63 0.694 -5.462 -9.498 1.00 0.00 C ATOM 1059 NZ LYS A 63 -0.317 -6.561 -9.554 1.00 0.00 N ATOM 0 H LYS A 63 -0.219 -6.527 -4.730 1.00 0.00 H new ATOM 0 HA LYS A 63 2.512 -7.231 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.944 -4.644 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.615 -4.827 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.000 -6.570 -7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.341 -6.560 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.037 -4.342 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.669 -4.109 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.398 -4.674 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.653 -5.846 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.266 -7.033 -10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.121 -7.252 -8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.269 -6.164 -9.420 1.00 0.00 H new ATOM 1073 N LEU A 64 1.878 -5.543 -2.443 1.00 0.00 N ATOM 1074 CA LEU A 64 2.489 -5.145 -1.166 1.00 0.00 C ATOM 1075 C LEU A 64 3.156 -6.346 -0.516 1.00 0.00 C ATOM 1076 O LEU A 64 4.262 -6.247 0.056 1.00 0.00 O ATOM 1077 CB LEU A 64 1.451 -4.561 -0.192 1.00 0.00 C ATOM 1078 CG LEU A 64 0.736 -3.275 -0.609 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.218 -2.828 0.488 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.729 -2.170 -0.934 1.00 0.00 C ATOM 0 H LEU A 64 0.866 -5.422 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 64 3.227 -4.373 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.693 -5.323 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.950 -4.375 0.759 1.00 0.00 H new ATOM 0 HG LEU A 64 0.164 -3.483 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.722 -1.912 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.959 -3.607 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.342 -2.644 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.189 -1.270 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.338 -1.958 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.373 -2.489 -1.753 1.00 0.00 H new ATOM 1092 N THR A 65 2.492 -7.482 -0.617 1.00 0.00 N ATOM 1093 CA THR A 65 3.013 -8.710 -0.098 1.00 0.00 C ATOM 1094 C THR A 65 4.346 -9.055 -0.763 1.00 0.00 C ATOM 1095 O THR A 65 5.350 -9.258 -0.085 1.00 0.00 O ATOM 1096 CB THR A 65 1.998 -9.876 -0.268 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.816 -9.605 0.512 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.601 -11.210 0.164 1.00 0.00 C ATOM 0 H THR A 65 1.578 -7.568 -1.062 1.00 0.00 H new ATOM 0 HA THR A 65 3.184 -8.572 0.970 1.00 0.00 H new ATOM 0 HB THR A 65 1.740 -9.948 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.283 -8.913 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.864 -12.002 0.032 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.479 -11.426 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.891 -11.156 1.213 1.00 0.00 H new ATOM 1106 N ARG A 66 4.355 -9.014 -2.076 1.00 0.00 N ATOM 1107 CA ARG A 66 5.508 -9.418 -2.871 1.00 0.00 C ATOM 1108 C ARG A 66 6.726 -8.550 -2.627 1.00 0.00 C ATOM 1109 O ARG A 66 7.848 -9.051 -2.596 1.00 0.00 O ATOM 1110 CB ARG A 66 5.160 -9.392 -4.345 1.00 0.00 C ATOM 1111 CG ARG A 66 3.972 -10.246 -4.680 1.00 0.00 C ATOM 1112 CD ARG A 66 3.655 -10.211 -6.149 1.00 0.00 C ATOM 1113 NE ARG A 66 2.438 -10.946 -6.419 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.364 -12.205 -6.824 1.00 0.00 C ATOM 1115 NH1 ARG A 66 3.475 -12.902 -7.064 1.00 0.00 N ATOM 1116 NH2 ARG A 66 1.172 -12.767 -6.966 1.00 0.00 N ATOM 0 H ARG A 66 3.561 -8.698 -2.632 1.00 0.00 H new ATOM 0 HA ARG A 66 5.762 -10.431 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.959 -8.364 -4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.020 -9.732 -4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.166 -11.274 -4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.106 -9.903 -4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.545 -9.178 -6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.481 -10.641 -6.716 1.00 0.00 H new ATOM 0 HE ARG A 66 1.557 -10.449 -6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.388 -12.466 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.412 -13.871 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.328 -12.231 -6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.099 -13.736 -7.277 1.00 0.00 H new ATOM 1130 N PHE A 67 6.514 -7.268 -2.451 1.00 0.00 N ATOM 1131 CA PHE A 67 7.623 -6.357 -2.289 1.00 0.00 C ATOM 1132 C PHE A 67 8.242 -6.458 -0.896 1.00 0.00 C ATOM 1133 O PHE A 67 9.441 -6.715 -0.757 1.00 0.00 O ATOM 1134 CB PHE A 67 7.188 -4.911 -2.582 1.00 0.00 C ATOM 1135 CG PHE A 67 8.322 -3.897 -2.610 1.00 0.00 C ATOM 1136 CD1 PHE A 67 8.985 -3.620 -3.795 1.00 0.00 C ATOM 1137 CD2 PHE A 67 8.713 -3.216 -1.458 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.008 -2.692 -3.834 1.00 0.00 C ATOM 1139 CE2 PHE A 67 9.732 -2.291 -1.494 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.383 -2.028 -2.682 1.00 0.00 C ATOM 0 H PHE A 67 5.592 -6.834 -2.416 1.00 0.00 H new ATOM 0 HA PHE A 67 8.388 -6.645 -3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.675 -4.888 -3.544 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.464 -4.604 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.698 -4.136 -4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.209 -3.417 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.515 -2.486 -4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.022 -1.771 -0.593 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.184 -1.304 -2.711 1.00 0.00 H new ATOM 1150 N PHE A 68 7.444 -6.269 0.132 1.00 0.00 N ATOM 1151 CA PHE A 68 8.015 -6.194 1.460 1.00 0.00 C ATOM 1152 C PHE A 68 7.519 -7.247 2.434 1.00 0.00 C ATOM 1153 O PHE A 68 8.305 -7.808 3.175 1.00 0.00 O ATOM 1154 CB PHE A 68 7.840 -4.783 2.060 1.00 0.00 C ATOM 1155 CG PHE A 68 6.408 -4.316 2.173 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.659 -4.592 3.308 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.818 -3.601 1.149 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.359 -4.173 3.409 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.519 -3.176 1.252 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.787 -3.461 2.382 1.00 0.00 C ATOM 0 H PHE A 68 6.430 -6.167 0.081 1.00 0.00 H new ATOM 0 HA PHE A 68 9.074 -6.408 1.316 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.292 -4.767 3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.392 -4.071 1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.106 -5.144 4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.386 -3.375 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.784 -4.402 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.069 -2.617 0.445 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.764 -3.125 2.462 1.00 0.00 H new ATOM 1170 N LEU A 69 6.238 -7.548 2.404 1.00 0.00 N ATOM 1171 CA LEU A 69 5.620 -8.336 3.466 1.00 0.00 C ATOM 1172 C LEU A 69 6.030 -9.817 3.411 1.00 0.00 C ATOM 1173 O LEU A 69 5.911 -10.547 4.395 1.00 0.00 O ATOM 1174 CB LEU A 69 4.108 -8.188 3.392 1.00 0.00 C ATOM 1175 CG LEU A 69 3.335 -8.528 4.652 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.660 -7.544 5.774 1.00 0.00 C ATOM 1177 CD2 LEU A 69 1.846 -8.557 4.374 1.00 0.00 C ATOM 0 H LEU A 69 5.600 -7.263 1.661 1.00 0.00 H new ATOM 0 HA LEU A 69 5.978 -7.952 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.878 -7.158 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.742 -8.822 2.585 1.00 0.00 H new ATOM 0 HG LEU A 69 3.640 -9.522 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.093 -7.809 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.726 -7.585 5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.393 -6.535 5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.309 -8.803 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.524 -7.579 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.632 -9.310 3.615 1.00 0.00 H new