USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 GLN : amide:sc= 0.465 K(o=0.46,f=-0.13) USER MOD Set 1.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 SER OG : rot -62:sc= 1.14 USER MOD Set 2.2: A 37 GLN : amide:sc= 1.37 K(o=2.5,f=-8.2!) USER MOD Single : A 1 GLY N :NH3+ 150:sc= 0.0109 (180deg=-0.857!) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 3 MET CE :methyl -138:sc= 0 (180deg=-0.892) USER MOD Single : A 5 HIS : no HD1:sc= -0.691 X(o=-0.69,f=-0.33) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.378 K(o=-0.38,f=-4.5!) USER MOD Single : A 11 GLN : amide:sc= -2.22! K(o=-2.2!,f=-0.02) USER MOD Single : A 13 SER OG : rot -67:sc= 1.25 USER MOD Single : A 14 HIS : no HD1:sc= -1.92! X(o=-1.9!,f=-1.5) USER MOD Single : A 20 SER OG : rot -40:sc= 0.275 USER MOD Single : A 24 TYR OH : rot 180:sc= 0.0964 USER MOD Single : A 26 SER OG : rot 180:sc= 0.017 USER MOD Single : A 29 SER OG : rot 85:sc= 0.609 USER MOD Single : A 31 GLN : amide:sc= 1.37 K(o=1.4,f=-0.36) USER MOD Single : A 32 ASN : amide:sc=-0.00743 K(o=-0.0074,f=-1.6) USER MOD Single : A 40 GLN : amide:sc= -2.68! C(o=-2.7!,f=-1.7!) USER MOD Single : A 44 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.017) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 11:sc= 0.859 USER MOD Single : A 53 SER OG : rot -111:sc= 1.26 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= -0.0527 (180deg=-1.66!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= -0.142 (180deg=-1.52!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -164:sc= -1.82! (180deg=-2.01) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 175:sc= 0 (180deg=-0.0498) USER MOD Single : A 70 SER OG : rot 73:sc= 0.0352 USER MOD Single : A 73 LYS NZ :NH3+ -142:sc= 1.3 (180deg=1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.116 -3.616 -1.311 1.00 0.00 N ATOM 2 CA GLY A 1 18.467 -2.486 -0.472 1.00 0.00 C ATOM 3 C GLY A 1 17.394 -2.220 0.548 1.00 0.00 C ATOM 4 O GLY A 1 17.373 -2.851 1.610 1.00 0.00 O ATOM 0 H1 GLY A 1 18.536 -3.491 -2.254 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.479 -4.492 -0.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.081 -3.676 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.413 -2.683 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.614 -1.601 -1.091 1.00 0.00 H new ATOM 10 N HIS A 2 16.502 -1.300 0.244 1.00 0.00 N ATOM 11 CA HIS A 2 15.410 -0.962 1.152 1.00 0.00 C ATOM 12 C HIS A 2 14.226 -0.435 0.344 1.00 0.00 C ATOM 13 O HIS A 2 13.251 0.101 0.899 1.00 0.00 O ATOM 14 CB HIS A 2 15.874 0.115 2.184 1.00 0.00 C ATOM 15 CG HIS A 2 16.066 1.513 1.623 1.00 0.00 C ATOM 16 ND1 HIS A 2 17.135 1.906 0.851 1.00 0.00 N ATOM 17 CD2 HIS A 2 15.255 2.599 1.711 1.00 0.00 C ATOM 18 CE1 HIS A 2 16.941 3.180 0.496 1.00 0.00 C ATOM 19 NE2 HIS A 2 15.816 3.650 0.998 1.00 0.00 N ATOM 0 H HIS A 2 16.507 -0.768 -0.626 1.00 0.00 H new ATOM 0 HA HIS A 2 15.110 -1.856 1.698 1.00 0.00 H new ATOM 0 HB2 HIS A 2 15.141 0.162 2.989 1.00 0.00 H new ATOM 0 HB3 HIS A 2 16.814 -0.213 2.628 1.00 0.00 H new ATOM 0 HD2 HIS A 2 14.320 2.639 2.251 1.00 0.00 H new ATOM 0 HE1 HIS A 2 17.618 3.751 -0.122 1.00 0.00 H new ATOM 0 HE2 HIS A 2 15.437 4.590 0.886 1.00 0.00 H new ATOM 27 N MET A 3 14.308 -0.599 -0.958 1.00 0.00 N ATOM 28 CA MET A 3 13.357 -0.026 -1.845 1.00 0.00 C ATOM 29 C MET A 3 12.075 -0.864 -1.916 1.00 0.00 C ATOM 30 O MET A 3 12.089 -2.053 -1.611 1.00 0.00 O ATOM 31 CB MET A 3 13.985 0.200 -3.207 1.00 0.00 C ATOM 32 CG MET A 3 15.146 1.207 -3.202 1.00 0.00 C ATOM 33 SD MET A 3 16.706 0.604 -2.477 1.00 0.00 S ATOM 34 CE MET A 3 17.320 -0.421 -3.816 1.00 0.00 C ATOM 0 H MET A 3 15.042 -1.137 -1.419 1.00 0.00 H new ATOM 0 HA MET A 3 13.057 0.947 -1.456 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.347 -0.754 -3.591 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.217 0.551 -3.896 1.00 0.00 H new ATOM 0 HG2 MET A 3 15.339 1.517 -4.229 1.00 0.00 H new ATOM 0 HG3 MET A 3 14.831 2.095 -2.655 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.729 -1.346 -3.408 1.00 0.00 H new ATOM 0 HE2 MET A 3 16.503 -0.655 -4.499 1.00 0.00 H new ATOM 0 HE3 MET A 3 18.102 0.114 -4.355 1.00 0.00 H new ATOM 44 N VAL A 4 10.986 -0.268 -2.384 1.00 0.00 N ATOM 45 CA VAL A 4 9.665 -0.907 -2.268 1.00 0.00 C ATOM 46 C VAL A 4 9.486 -2.038 -3.237 1.00 0.00 C ATOM 47 O VAL A 4 8.794 -3.012 -2.950 1.00 0.00 O ATOM 48 CB VAL A 4 8.486 0.096 -2.390 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.788 1.309 -1.611 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.131 0.471 -3.815 1.00 0.00 C ATOM 0 H VAL A 4 10.981 0.643 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 4 9.641 -1.317 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 4 7.609 -0.414 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.960 2.012 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.930 1.043 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.698 1.771 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.298 1.174 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.993 0.933 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.845 -0.425 -4.367 1.00 0.00 H new ATOM 60 N HIS A 5 10.147 -1.938 -4.364 1.00 0.00 N ATOM 61 CA HIS A 5 10.075 -2.963 -5.389 1.00 0.00 C ATOM 62 C HIS A 5 10.803 -4.234 -4.938 1.00 0.00 C ATOM 63 O HIS A 5 10.746 -5.259 -5.600 1.00 0.00 O ATOM 64 CB HIS A 5 10.637 -2.445 -6.739 1.00 0.00 C ATOM 65 CG HIS A 5 12.008 -1.836 -6.654 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.218 -0.494 -6.551 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.232 -2.410 -6.613 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.512 -0.278 -6.436 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.193 -1.414 -6.472 1.00 0.00 N ATOM 0 H HIS A 5 10.749 -1.149 -4.601 1.00 0.00 H new ATOM 0 HA HIS A 5 9.025 -3.213 -5.543 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.665 -3.273 -7.447 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.949 -1.703 -7.143 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.431 -3.469 -6.679 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.960 0.699 -6.327 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.204 -1.533 -6.410 1.00 0.00 H new ATOM 77 N GLU A 6 11.488 -4.138 -3.810 1.00 0.00 N ATOM 78 CA GLU A 6 12.232 -5.244 -3.247 1.00 0.00 C ATOM 79 C GLU A 6 11.453 -5.871 -2.096 1.00 0.00 C ATOM 80 O GLU A 6 11.854 -6.914 -1.553 1.00 0.00 O ATOM 81 CB GLU A 6 13.575 -4.753 -2.737 1.00 0.00 C ATOM 82 CG GLU A 6 14.321 -3.916 -3.741 1.00 0.00 C ATOM 83 CD GLU A 6 15.659 -3.496 -3.255 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.757 -2.708 -2.302 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.665 -3.939 -3.831 1.00 0.00 O ATOM 0 H GLU A 6 11.541 -3.282 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 6 12.387 -5.993 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.420 -4.169 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.188 -5.611 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.436 -4.482 -4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.731 -3.031 -3.980 1.00 0.00 H new ATOM 92 N TRP A 7 10.353 -5.231 -1.705 1.00 0.00 N ATOM 93 CA TRP A 7 9.530 -5.751 -0.643 1.00 0.00 C ATOM 94 C TRP A 7 8.805 -6.975 -1.122 1.00 0.00 C ATOM 95 O TRP A 7 8.406 -7.053 -2.285 1.00 0.00 O ATOM 96 CB TRP A 7 8.547 -4.709 -0.090 1.00 0.00 C ATOM 97 CG TRP A 7 9.202 -3.527 0.559 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.486 -3.441 1.025 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.590 -2.279 0.854 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.715 -2.204 1.543 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.566 -1.469 1.457 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.312 -1.757 0.653 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.307 -0.175 1.858 1.00 0.00 C ATOM 104 CZ3 TRP A 7 7.056 -0.465 1.058 1.00 0.00 C ATOM 105 CH2 TRP A 7 8.057 0.317 1.655 1.00 0.00 C ATOM 0 H TRP A 7 10.022 -4.357 -2.112 1.00 0.00 H new ATOM 0 HA TRP A 7 10.187 -6.018 0.185 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.913 -4.357 -0.904 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.894 -5.192 0.637 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.212 -4.239 0.987 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.600 -1.878 1.932 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.540 -2.353 0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.075 0.429 2.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 6.070 -0.048 0.914 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.829 1.328 1.959 1.00 0.00 H new ATOM 116 N SER A 8 8.634 -7.910 -0.238 1.00 0.00 N ATOM 117 CA SER A 8 8.082 -9.168 -0.595 1.00 0.00 C ATOM 118 C SER A 8 6.589 -9.160 -0.337 1.00 0.00 C ATOM 119 O SER A 8 5.792 -9.105 -1.260 1.00 0.00 O ATOM 120 CB SER A 8 8.778 -10.235 0.236 1.00 0.00 C ATOM 121 OG SER A 8 10.183 -10.018 0.212 1.00 0.00 O ATOM 0 H SER A 8 8.875 -7.816 0.749 1.00 0.00 H new ATOM 0 HA SER A 8 8.234 -9.376 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.413 -10.206 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.546 -11.225 -0.157 1.00 0.00 H new ATOM 0 HG SER A 8 10.629 -10.705 0.749 1.00 0.00 H new ATOM 127 N VAL A 9 6.234 -9.182 0.928 1.00 0.00 N ATOM 128 CA VAL A 9 4.852 -9.173 1.367 1.00 0.00 C ATOM 129 C VAL A 9 4.774 -8.397 2.663 1.00 0.00 C ATOM 130 O VAL A 9 4.314 -7.286 2.694 1.00 0.00 O ATOM 131 CB VAL A 9 4.311 -10.630 1.607 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.939 -10.607 2.223 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.270 -11.434 0.323 1.00 0.00 C ATOM 0 H VAL A 9 6.906 -9.207 1.695 1.00 0.00 H new ATOM 0 HA VAL A 9 4.240 -8.712 0.591 1.00 0.00 H new ATOM 0 HB VAL A 9 5.006 -11.110 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.592 -11.629 2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.979 -10.089 3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.250 -10.086 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.891 -12.434 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.615 -10.940 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.275 -11.507 -0.093 1.00 0.00 H new ATOM 143 N GLN A 10 5.352 -8.956 3.703 1.00 0.00 N ATOM 144 CA GLN A 10 5.274 -8.388 5.044 1.00 0.00 C ATOM 145 C GLN A 10 5.948 -7.016 5.138 1.00 0.00 C ATOM 146 O GLN A 10 5.623 -6.223 6.001 1.00 0.00 O ATOM 147 CB GLN A 10 5.825 -9.376 6.105 1.00 0.00 C ATOM 148 CG GLN A 10 7.347 -9.605 6.114 1.00 0.00 C ATOM 149 CD GLN A 10 7.927 -10.141 4.810 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.270 -10.846 4.040 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.142 -9.801 4.549 1.00 0.00 N ATOM 0 H GLN A 10 5.892 -9.820 3.650 1.00 0.00 H new ATOM 0 HA GLN A 10 4.218 -8.226 5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.530 -9.016 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.337 -10.340 5.958 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.839 -8.662 6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.589 -10.303 6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.660 -9.217 5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.586 -10.116 3.686 1.00 0.00 H new ATOM 160 N GLN A 11 6.840 -6.726 4.200 1.00 0.00 N ATOM 161 CA GLN A 11 7.530 -5.448 4.173 1.00 0.00 C ATOM 162 C GLN A 11 6.655 -4.327 3.618 1.00 0.00 C ATOM 163 O GLN A 11 6.961 -3.160 3.781 1.00 0.00 O ATOM 164 CB GLN A 11 8.872 -5.555 3.450 1.00 0.00 C ATOM 165 CG GLN A 11 9.864 -6.396 4.225 1.00 0.00 C ATOM 166 CD GLN A 11 11.268 -6.434 3.656 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.220 -6.558 4.396 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.409 -6.342 2.370 1.00 0.00 N ATOM 0 H GLN A 11 7.102 -7.362 3.447 1.00 0.00 H new ATOM 0 HA GLN A 11 7.745 -5.176 5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.719 -5.991 2.463 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.283 -4.557 3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.914 -6.019 5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.485 -7.416 4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.588 -6.238 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.340 -6.373 1.956 1.00 0.00 H new ATOM 177 N VAL A 12 5.544 -4.693 3.003 1.00 0.00 N ATOM 178 CA VAL A 12 4.604 -3.707 2.461 1.00 0.00 C ATOM 179 C VAL A 12 3.764 -3.094 3.625 1.00 0.00 C ATOM 180 O VAL A 12 3.216 -1.986 3.513 1.00 0.00 O ATOM 181 CB VAL A 12 3.647 -4.376 1.399 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.415 -5.022 2.022 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.269 -3.413 0.300 1.00 0.00 C ATOM 0 H VAL A 12 5.264 -5.664 2.863 1.00 0.00 H new ATOM 0 HA VAL A 12 5.169 -2.918 1.965 1.00 0.00 H new ATOM 0 HB VAL A 12 4.222 -5.186 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.800 -5.463 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.725 -5.799 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.838 -4.266 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.610 -3.912 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.755 -2.554 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.169 -3.077 -0.215 1.00 0.00 H new ATOM 193 N SER A 13 3.726 -3.808 4.766 1.00 0.00 N ATOM 194 CA SER A 13 2.899 -3.409 5.899 1.00 0.00 C ATOM 195 C SER A 13 3.453 -2.177 6.562 1.00 0.00 C ATOM 196 O SER A 13 2.708 -1.294 6.977 1.00 0.00 O ATOM 197 CB SER A 13 2.809 -4.536 6.922 1.00 0.00 C ATOM 198 OG SER A 13 4.058 -4.753 7.577 1.00 0.00 O ATOM 0 H SER A 13 4.262 -4.663 4.918 1.00 0.00 H new ATOM 0 HA SER A 13 1.902 -3.188 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.046 -4.296 7.663 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.494 -5.454 6.426 1.00 0.00 H new ATOM 0 HG SER A 13 4.711 -5.094 6.931 1.00 0.00 H new ATOM 204 N HIS A 14 4.772 -2.148 6.645 1.00 0.00 N ATOM 205 CA HIS A 14 5.552 -1.057 7.258 1.00 0.00 C ATOM 206 C HIS A 14 5.125 0.282 6.713 1.00 0.00 C ATOM 207 O HIS A 14 5.088 1.282 7.438 1.00 0.00 O ATOM 208 CB HIS A 14 7.054 -1.244 7.015 1.00 0.00 C ATOM 209 CG HIS A 14 7.610 -2.577 7.443 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.354 -3.178 8.657 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.394 -3.443 6.764 1.00 0.00 C ATOM 212 CE1 HIS A 14 7.974 -4.356 8.674 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.623 -4.570 7.543 1.00 0.00 N ATOM 0 H HIS A 14 5.358 -2.899 6.281 1.00 0.00 H new ATOM 0 HA HIS A 14 5.360 -1.087 8.331 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.254 -1.109 5.952 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.592 -0.457 7.543 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.783 -3.284 5.769 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.950 -5.047 9.504 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.176 -5.390 7.294 1.00 0.00 H new ATOM 221 N TRP A 15 4.807 0.289 5.443 1.00 0.00 N ATOM 222 CA TRP A 15 4.297 1.449 4.795 1.00 0.00 C ATOM 223 C TRP A 15 2.888 1.722 5.269 1.00 0.00 C ATOM 224 O TRP A 15 2.650 2.737 5.893 1.00 0.00 O ATOM 225 CB TRP A 15 4.337 1.268 3.279 1.00 0.00 C ATOM 226 CG TRP A 15 3.531 2.279 2.538 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.726 3.616 2.516 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.380 2.026 1.731 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.787 4.213 1.717 1.00 0.00 N ATOM 230 CE2 TRP A 15 1.946 3.257 1.229 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.682 0.873 1.378 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.847 3.366 0.391 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.590 0.997 0.547 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.190 2.222 0.072 1.00 0.00 C ATOM 0 H TRP A 15 4.899 -0.523 4.833 1.00 0.00 H new ATOM 0 HA TRP A 15 4.920 2.306 5.050 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.372 1.322 2.942 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.973 0.271 3.030 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.507 4.137 3.050 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.727 5.212 1.519 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.989 -0.094 1.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.526 4.323 0.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.038 0.113 0.264 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.673 2.277 -0.575 1.00 0.00 H new ATOM 245 N LEU A 16 1.986 0.772 5.010 1.00 0.00 N ATOM 246 CA LEU A 16 0.554 0.869 5.342 1.00 0.00 C ATOM 247 C LEU A 16 0.320 1.360 6.761 1.00 0.00 C ATOM 248 O LEU A 16 -0.434 2.302 6.982 1.00 0.00 O ATOM 249 CB LEU A 16 -0.095 -0.487 5.166 1.00 0.00 C ATOM 250 CG LEU A 16 -0.211 -1.009 3.732 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.446 -2.493 3.735 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.365 -0.336 3.019 1.00 0.00 C ATOM 0 H LEU A 16 2.232 -0.107 4.554 1.00 0.00 H new ATOM 0 HA LEU A 16 0.109 1.599 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.471 -1.214 5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.096 -0.444 5.595 1.00 0.00 H new ATOM 0 HG LEU A 16 0.722 -0.785 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.527 -2.851 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.388 -2.992 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.370 -2.714 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.435 -0.717 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.293 -0.547 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.198 0.741 2.993 1.00 0.00 H new ATOM 264 N VAL A 17 0.999 0.760 7.701 1.00 0.00 N ATOM 265 CA VAL A 17 0.869 1.105 9.107 1.00 0.00 C ATOM 266 C VAL A 17 1.230 2.589 9.354 1.00 0.00 C ATOM 267 O VAL A 17 0.612 3.259 10.199 1.00 0.00 O ATOM 268 CB VAL A 17 1.761 0.180 9.970 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.724 0.558 11.443 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.355 -1.275 9.797 1.00 0.00 C ATOM 0 H VAL A 17 1.666 0.010 7.520 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.172 0.961 9.397 1.00 0.00 H new ATOM 0 HB VAL A 17 2.785 0.311 9.620 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.365 -0.119 12.008 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.079 1.581 11.565 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.701 0.483 11.812 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.995 -1.907 10.413 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.317 -1.402 10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.462 -1.561 8.750 1.00 0.00 H new ATOM 280 N GLY A 18 2.121 3.112 8.520 1.00 0.00 N ATOM 281 CA GLY A 18 2.621 4.461 8.672 1.00 0.00 C ATOM 282 C GLY A 18 1.585 5.499 8.302 1.00 0.00 C ATOM 283 O GLY A 18 1.596 6.612 8.820 1.00 0.00 O ATOM 0 H GLY A 18 2.512 2.609 7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.936 4.616 9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.504 4.592 8.046 1.00 0.00 H new ATOM 287 N LEU A 19 0.675 5.135 7.423 1.00 0.00 N ATOM 288 CA LEU A 19 -0.375 6.052 7.015 1.00 0.00 C ATOM 289 C LEU A 19 -1.720 5.650 7.618 1.00 0.00 C ATOM 290 O LEU A 19 -2.754 6.132 7.195 1.00 0.00 O ATOM 291 CB LEU A 19 -0.484 6.212 5.469 1.00 0.00 C ATOM 292 CG LEU A 19 -0.696 4.959 4.626 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.294 5.323 3.308 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.598 4.270 4.362 1.00 0.00 C ATOM 0 H LEU A 19 0.638 4.218 6.978 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.094 7.030 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.308 6.895 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.427 6.697 5.120 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.361 4.298 5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.441 4.421 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.254 5.814 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.624 6.001 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.420 3.380 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.266 4.944 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.056 3.982 5.308 1.00 0.00 H new ATOM 306 N SER A 20 -1.672 4.774 8.636 1.00 0.00 N ATOM 307 CA SER A 20 -2.865 4.285 9.365 1.00 0.00 C ATOM 308 C SER A 20 -3.662 3.271 8.527 1.00 0.00 C ATOM 309 O SER A 20 -4.758 2.852 8.879 1.00 0.00 O ATOM 310 CB SER A 20 -3.742 5.461 9.887 1.00 0.00 C ATOM 311 OG SER A 20 -4.735 5.013 10.801 1.00 0.00 O ATOM 0 H SER A 20 -0.798 4.379 8.983 1.00 0.00 H new ATOM 0 HA SER A 20 -2.518 3.749 10.248 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.106 6.200 10.374 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.222 5.959 9.044 1.00 0.00 H new ATOM 0 HG SER A 20 -5.105 4.161 10.490 1.00 0.00 H new ATOM 317 N LEU A 21 -3.020 2.771 7.521 1.00 0.00 N ATOM 318 CA LEU A 21 -3.595 1.830 6.573 1.00 0.00 C ATOM 319 C LEU A 21 -3.279 0.413 7.007 1.00 0.00 C ATOM 320 O LEU A 21 -3.365 -0.517 6.220 1.00 0.00 O ATOM 321 CB LEU A 21 -3.026 2.090 5.176 1.00 0.00 C ATOM 322 CG LEU A 21 -3.718 3.125 4.252 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.850 2.489 3.522 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.240 4.335 5.013 1.00 0.00 C ATOM 0 H LEU A 21 -2.048 3.005 7.317 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.677 1.961 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.989 2.403 5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.011 1.137 4.646 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.958 3.471 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.327 3.227 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.475 1.665 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.578 2.109 4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.714 5.026 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.969 4.011 5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.411 4.836 5.513 1.00 0.00 H new ATOM 336 N ASP A 22 -2.901 0.257 8.284 1.00 0.00 N ATOM 337 CA ASP A 22 -2.669 -1.070 8.910 1.00 0.00 C ATOM 338 C ASP A 22 -3.853 -2.004 8.678 1.00 0.00 C ATOM 339 O ASP A 22 -3.697 -3.212 8.520 1.00 0.00 O ATOM 340 CB ASP A 22 -2.407 -0.917 10.417 1.00 0.00 C ATOM 341 CG ASP A 22 -2.357 -2.249 11.165 1.00 0.00 C ATOM 342 OD1 ASP A 22 -1.312 -2.896 11.195 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.379 -2.648 11.764 1.00 0.00 O ATOM 0 H ASP A 22 -2.745 1.041 8.918 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.789 -1.510 8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.463 -0.392 10.562 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.188 -0.294 10.852 1.00 0.00 H new ATOM 348 N GLN A 23 -5.011 -1.406 8.588 1.00 0.00 N ATOM 349 CA GLN A 23 -6.270 -2.082 8.333 1.00 0.00 C ATOM 350 C GLN A 23 -6.226 -2.838 6.979 1.00 0.00 C ATOM 351 O GLN A 23 -6.911 -3.836 6.787 1.00 0.00 O ATOM 352 CB GLN A 23 -7.365 -1.018 8.320 1.00 0.00 C ATOM 353 CG GLN A 23 -7.271 -0.073 7.131 1.00 0.00 C ATOM 354 CD GLN A 23 -7.923 1.241 7.361 1.00 0.00 C ATOM 355 OE1 GLN A 23 -9.117 1.395 7.152 1.00 0.00 O ATOM 356 NE2 GLN A 23 -7.133 2.216 7.715 1.00 0.00 N ATOM 0 H GLN A 23 -5.115 -0.397 8.693 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.466 -2.823 9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.338 -1.508 8.310 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.310 -0.438 9.241 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.221 0.090 6.889 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.728 -0.549 6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.142 2.036 7.878 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.506 3.159 7.829 1.00 0.00 H new ATOM 365 N TYR A 24 -5.383 -2.368 6.075 1.00 0.00 N ATOM 366 CA TYR A 24 -5.254 -2.956 4.771 1.00 0.00 C ATOM 367 C TYR A 24 -4.224 -4.068 4.755 1.00 0.00 C ATOM 368 O TYR A 24 -4.285 -4.937 3.906 1.00 0.00 O ATOM 369 CB TYR A 24 -4.940 -1.900 3.697 1.00 0.00 C ATOM 370 CG TYR A 24 -6.166 -1.265 3.045 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.827 -0.191 3.621 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.649 -1.749 1.835 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.928 0.378 3.018 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.759 -1.178 1.223 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.392 -0.112 1.825 1.00 0.00 C ATOM 376 OH TYR A 24 -9.505 0.469 1.229 1.00 0.00 O ATOM 0 H TYR A 24 -4.772 -1.567 6.234 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.221 -3.397 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.337 -1.112 4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.331 -2.362 2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.472 0.207 4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.153 -2.584 1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.427 1.213 3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.122 -1.567 0.283 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.705 0.006 0.389 1.00 0.00 H new ATOM 386 N VAL A 25 -3.301 -4.058 5.719 1.00 0.00 N ATOM 387 CA VAL A 25 -2.228 -5.086 5.815 1.00 0.00 C ATOM 388 C VAL A 25 -2.814 -6.499 5.874 1.00 0.00 C ATOM 389 O VAL A 25 -2.249 -7.446 5.299 1.00 0.00 O ATOM 390 CB VAL A 25 -1.261 -4.875 7.039 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.188 -5.935 7.077 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.649 -3.497 7.016 1.00 0.00 C ATOM 0 H VAL A 25 -3.264 -3.352 6.454 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.637 -4.967 4.907 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.856 -4.966 7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.464 -5.762 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.651 -6.918 7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.399 -5.892 6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.014 -3.379 7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.080 -3.367 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.439 -2.747 7.063 1.00 0.00 H new ATOM 402 N SER A 26 -3.953 -6.618 6.524 1.00 0.00 N ATOM 403 CA SER A 26 -4.664 -7.869 6.681 1.00 0.00 C ATOM 404 C SER A 26 -5.000 -8.513 5.322 1.00 0.00 C ATOM 405 O SER A 26 -5.047 -9.737 5.193 1.00 0.00 O ATOM 406 CB SER A 26 -5.931 -7.579 7.451 1.00 0.00 C ATOM 407 OG SER A 26 -5.622 -6.842 8.632 1.00 0.00 O ATOM 0 H SER A 26 -4.421 -5.828 6.968 1.00 0.00 H new ATOM 0 HA SER A 26 -4.034 -8.580 7.216 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.624 -7.012 6.829 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.429 -8.512 7.714 1.00 0.00 H new ATOM 0 HG SER A 26 -6.447 -6.655 9.126 1.00 0.00 H new ATOM 413 N GLU A 27 -5.190 -7.690 4.317 1.00 0.00 N ATOM 414 CA GLU A 27 -5.540 -8.171 3.015 1.00 0.00 C ATOM 415 C GLU A 27 -4.362 -7.986 2.039 1.00 0.00 C ATOM 416 O GLU A 27 -4.120 -8.834 1.197 1.00 0.00 O ATOM 417 CB GLU A 27 -6.795 -7.459 2.537 1.00 0.00 C ATOM 418 CG GLU A 27 -7.364 -7.969 1.234 1.00 0.00 C ATOM 419 CD GLU A 27 -7.793 -9.404 1.269 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.567 -9.784 2.167 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.383 -10.167 0.381 1.00 0.00 O ATOM 0 H GLU A 27 -5.105 -6.676 4.385 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.752 -9.239 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.560 -7.547 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.573 -6.398 2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.220 -7.353 0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.616 -7.844 0.451 1.00 0.00 H new ATOM 428 N PHE A 28 -3.607 -6.886 2.190 1.00 0.00 N ATOM 429 CA PHE A 28 -2.418 -6.607 1.357 1.00 0.00 C ATOM 430 C PHE A 28 -1.448 -7.783 1.387 1.00 0.00 C ATOM 431 O PHE A 28 -0.965 -8.247 0.347 1.00 0.00 O ATOM 432 CB PHE A 28 -1.689 -5.332 1.842 1.00 0.00 C ATOM 433 CG PHE A 28 -1.947 -4.079 1.024 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.203 -3.507 0.959 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.905 -3.456 0.334 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.419 -2.351 0.222 1.00 0.00 C ATOM 437 CE2 PHE A 28 -1.122 -2.308 -0.399 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.376 -1.757 -0.456 1.00 0.00 C ATOM 0 H PHE A 28 -3.799 -6.167 2.887 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.764 -6.452 0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.982 -5.138 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.617 -5.527 1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.026 -3.965 1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.087 -3.880 0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.407 -1.916 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.304 -1.843 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.547 -0.859 -1.031 1.00 0.00 H new ATOM 448 N SER A 29 -1.247 -8.317 2.571 1.00 0.00 N ATOM 449 CA SER A 29 -0.319 -9.401 2.761 1.00 0.00 C ATOM 450 C SER A 29 -0.924 -10.723 2.279 1.00 0.00 C ATOM 451 O SER A 29 -0.212 -11.651 1.902 1.00 0.00 O ATOM 452 CB SER A 29 0.059 -9.483 4.232 1.00 0.00 C ATOM 453 OG SER A 29 0.468 -8.206 4.701 1.00 0.00 O ATOM 0 H SER A 29 -1.720 -8.012 3.422 1.00 0.00 H new ATOM 0 HA SER A 29 0.578 -9.215 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.791 -9.838 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.864 -10.205 4.369 1.00 0.00 H new ATOM 0 HG SER A 29 -0.319 -7.690 4.974 1.00 0.00 H new ATOM 459 N ALA A 30 -2.238 -10.774 2.237 1.00 0.00 N ATOM 460 CA ALA A 30 -2.949 -11.969 1.841 1.00 0.00 C ATOM 461 C ALA A 30 -2.802 -12.209 0.350 1.00 0.00 C ATOM 462 O ALA A 30 -2.593 -13.336 -0.092 1.00 0.00 O ATOM 463 CB ALA A 30 -4.414 -11.864 2.229 1.00 0.00 C ATOM 0 H ALA A 30 -2.843 -9.988 2.476 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.515 -12.821 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.937 -12.771 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.497 -11.743 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.861 -11.003 1.732 1.00 0.00 H new ATOM 469 N GLN A 31 -2.850 -11.140 -0.423 1.00 0.00 N ATOM 470 CA GLN A 31 -2.741 -11.272 -1.878 1.00 0.00 C ATOM 471 C GLN A 31 -1.315 -11.062 -2.344 1.00 0.00 C ATOM 472 O GLN A 31 -1.059 -10.987 -3.556 1.00 0.00 O ATOM 473 CB GLN A 31 -3.694 -10.333 -2.640 1.00 0.00 C ATOM 474 CG GLN A 31 -4.648 -9.556 -1.768 1.00 0.00 C ATOM 475 CD GLN A 31 -5.713 -8.825 -2.555 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.492 -8.396 -3.694 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.883 -8.720 -1.988 1.00 0.00 N ATOM 0 H GLN A 31 -2.961 -10.185 -0.084 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.043 -12.293 -2.110 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.099 -9.628 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.272 -10.924 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.128 -10.239 -1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.084 -8.835 -1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.028 -9.086 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.653 -8.272 -2.486 1.00 0.00 H new ATOM 486 N ASN A 32 -0.384 -10.992 -1.384 1.00 0.00 N ATOM 487 CA ASN A 32 1.042 -10.841 -1.665 1.00 0.00 C ATOM 488 C ASN A 32 1.303 -9.538 -2.399 1.00 0.00 C ATOM 489 O ASN A 32 2.088 -9.488 -3.350 1.00 0.00 O ATOM 490 CB ASN A 32 1.585 -12.046 -2.474 1.00 0.00 C ATOM 491 CG ASN A 32 1.477 -13.376 -1.735 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.396 -13.781 -1.022 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.372 -14.068 -1.913 1.00 0.00 N ATOM 0 H ASN A 32 -0.603 -11.039 -0.389 1.00 0.00 H new ATOM 0 HA ASN A 32 1.573 -10.815 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.039 -12.117 -3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.630 -11.863 -2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.256 -14.971 -1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.369 -13.701 -2.511 1.00 0.00 H new ATOM 500 N ILE A 33 0.641 -8.484 -1.959 1.00 0.00 N ATOM 501 CA ILE A 33 0.826 -7.184 -2.547 1.00 0.00 C ATOM 502 C ILE A 33 2.195 -6.660 -2.129 1.00 0.00 C ATOM 503 O ILE A 33 2.451 -6.467 -0.953 1.00 0.00 O ATOM 504 CB ILE A 33 -0.280 -6.171 -2.098 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.690 -6.666 -2.495 1.00 0.00 C ATOM 506 CG2 ILE A 33 -0.023 -4.781 -2.690 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.906 -6.830 -3.992 1.00 0.00 C ATOM 0 H ILE A 33 -0.031 -8.510 -1.192 1.00 0.00 H new ATOM 0 HA ILE A 33 0.756 -7.281 -3.630 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.236 -6.101 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.875 -7.623 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.429 -5.964 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.805 -4.096 -2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.946 -4.414 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.026 -4.843 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.921 -7.180 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.757 -5.871 -4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.194 -7.556 -4.385 1.00 0.00 H new ATOM 519 N SER A 34 3.082 -6.506 -3.073 1.00 0.00 N ATOM 520 CA SER A 34 4.387 -5.993 -2.780 1.00 0.00 C ATOM 521 C SER A 34 4.477 -4.570 -3.317 1.00 0.00 C ATOM 522 O SER A 34 3.456 -3.996 -3.742 1.00 0.00 O ATOM 523 CB SER A 34 5.459 -6.877 -3.435 1.00 0.00 C ATOM 524 OG SER A 34 5.415 -6.793 -4.853 1.00 0.00 O ATOM 0 H SER A 34 2.922 -6.730 -4.055 1.00 0.00 H new ATOM 0 HA SER A 34 4.556 -5.993 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.445 -6.574 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.315 -7.913 -3.127 1.00 0.00 H new ATOM 0 HG SER A 34 4.550 -7.124 -5.174 1.00 0.00 H new ATOM 530 N GLY A 35 5.688 -4.027 -3.358 1.00 0.00 N ATOM 531 CA GLY A 35 5.914 -2.700 -3.881 1.00 0.00 C ATOM 532 C GLY A 35 5.534 -2.613 -5.338 1.00 0.00 C ATOM 533 O GLY A 35 5.109 -1.564 -5.810 1.00 0.00 O ATOM 0 H GLY A 35 6.532 -4.497 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.333 -1.977 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.964 -2.433 -3.760 1.00 0.00 H new ATOM 537 N GLU A 36 5.630 -3.756 -6.016 1.00 0.00 N ATOM 538 CA GLU A 36 5.278 -3.902 -7.416 1.00 0.00 C ATOM 539 C GLU A 36 3.840 -3.441 -7.650 1.00 0.00 C ATOM 540 O GLU A 36 3.546 -2.724 -8.608 1.00 0.00 O ATOM 541 CB GLU A 36 5.427 -5.374 -7.805 1.00 0.00 C ATOM 542 CG GLU A 36 5.019 -5.697 -9.222 1.00 0.00 C ATOM 543 CD GLU A 36 5.124 -7.162 -9.526 1.00 0.00 C ATOM 544 OE1 GLU A 36 4.160 -7.909 -9.245 1.00 0.00 O ATOM 545 OE2 GLU A 36 6.168 -7.591 -10.072 1.00 0.00 O ATOM 0 H GLU A 36 5.963 -4.622 -5.592 1.00 0.00 H new ATOM 0 HA GLU A 36 5.938 -3.287 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.467 -5.669 -7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.829 -5.978 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.993 -5.367 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.648 -5.139 -9.915 1.00 0.00 H new ATOM 552 N GLN A 37 2.961 -3.824 -6.749 1.00 0.00 N ATOM 553 CA GLN A 37 1.578 -3.467 -6.868 1.00 0.00 C ATOM 554 C GLN A 37 1.241 -2.209 -6.089 1.00 0.00 C ATOM 555 O GLN A 37 0.310 -1.514 -6.439 1.00 0.00 O ATOM 556 CB GLN A 37 0.609 -4.637 -6.561 1.00 0.00 C ATOM 557 CG GLN A 37 1.157 -5.811 -5.764 1.00 0.00 C ATOM 558 CD GLN A 37 2.157 -6.689 -6.493 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.016 -7.286 -5.864 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.074 -6.757 -7.793 1.00 0.00 N ATOM 0 H GLN A 37 3.188 -4.384 -5.927 1.00 0.00 H new ATOM 0 HA GLN A 37 1.422 -3.235 -7.922 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.246 -4.232 -6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.233 -5.020 -7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.630 -5.425 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.320 -6.432 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.342 -6.244 -8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.741 -7.323 -8.318 1.00 0.00 H new ATOM 569 N LEU A 38 2.037 -1.928 -5.064 1.00 0.00 N ATOM 570 CA LEU A 38 1.916 -0.736 -4.205 1.00 0.00 C ATOM 571 C LEU A 38 1.999 0.536 -5.071 1.00 0.00 C ATOM 572 O LEU A 38 1.125 1.389 -5.034 1.00 0.00 O ATOM 573 CB LEU A 38 3.107 -0.769 -3.206 1.00 0.00 C ATOM 574 CG LEU A 38 3.022 0.037 -1.901 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.266 -0.201 -1.079 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.883 1.510 -2.149 1.00 0.00 C ATOM 0 H LEU A 38 2.810 -2.535 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 38 0.964 -0.731 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.278 -1.811 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.993 -0.429 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 38 2.133 -0.302 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.205 0.371 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.350 -1.262 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.142 0.116 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.827 2.036 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.746 1.868 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.975 1.698 -2.721 1.00 0.00 H new ATOM 588 N LEU A 39 3.041 0.614 -5.865 1.00 0.00 N ATOM 589 CA LEU A 39 3.336 1.792 -6.678 1.00 0.00 C ATOM 590 C LEU A 39 2.254 2.092 -7.711 1.00 0.00 C ATOM 591 O LEU A 39 1.927 3.254 -7.966 1.00 0.00 O ATOM 592 CB LEU A 39 4.664 1.579 -7.387 1.00 0.00 C ATOM 593 CG LEU A 39 5.873 1.408 -6.479 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.051 0.876 -7.276 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.218 2.739 -5.812 1.00 0.00 C ATOM 0 H LEU A 39 3.720 -0.140 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 39 3.379 2.649 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.580 0.696 -8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.844 2.428 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 39 5.637 0.686 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.912 0.757 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.790 -0.089 -7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.298 1.578 -8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.084 2.607 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.446 3.481 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.369 3.079 -5.219 1.00 0.00 H new ATOM 607 N GLN A 40 1.716 1.058 -8.299 1.00 0.00 N ATOM 608 CA GLN A 40 0.748 1.224 -9.380 1.00 0.00 C ATOM 609 C GLN A 40 -0.731 1.065 -8.936 1.00 0.00 C ATOM 610 O GLN A 40 -1.636 1.012 -9.786 1.00 0.00 O ATOM 611 CB GLN A 40 1.132 0.311 -10.570 1.00 0.00 C ATOM 612 CG GLN A 40 1.086 -1.194 -10.303 1.00 0.00 C ATOM 613 CD GLN A 40 -0.293 -1.791 -10.502 1.00 0.00 C ATOM 614 OE1 GLN A 40 -1.072 -1.322 -11.318 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.602 -2.812 -9.784 1.00 0.00 N ATOM 0 H GLN A 40 1.923 0.089 -8.058 1.00 0.00 H new ATOM 0 HA GLN A 40 0.802 2.261 -9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.464 0.533 -11.402 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.140 0.572 -10.892 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.792 -1.696 -10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.415 -1.386 -9.282 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.068 -3.183 -9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.517 -3.251 -9.888 1.00 0.00 H new ATOM 624 N LEU A 41 -0.961 1.018 -7.624 1.00 0.00 N ATOM 625 CA LEU A 41 -2.299 0.900 -7.034 1.00 0.00 C ATOM 626 C LEU A 41 -3.308 1.918 -7.570 1.00 0.00 C ATOM 627 O LEU A 41 -3.034 3.120 -7.685 1.00 0.00 O ATOM 628 CB LEU A 41 -2.230 1.065 -5.538 1.00 0.00 C ATOM 629 CG LEU A 41 -1.746 -0.110 -4.724 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.554 0.330 -3.317 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.745 -1.248 -4.764 1.00 0.00 C ATOM 0 H LEU A 41 -0.215 1.061 -6.930 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.646 -0.095 -7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.579 1.912 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.226 1.331 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.806 -0.467 -5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.204 -0.510 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.816 1.132 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.501 0.692 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.371 -2.081 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.698 -0.910 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.886 -1.572 -5.795 1.00 0.00 H new ATOM 643 N ASP A 42 -4.474 1.432 -7.865 1.00 0.00 N ATOM 644 CA ASP A 42 -5.570 2.266 -8.308 1.00 0.00 C ATOM 645 C ASP A 42 -6.785 1.826 -7.533 1.00 0.00 C ATOM 646 O ASP A 42 -6.677 0.892 -6.715 1.00 0.00 O ATOM 647 CB ASP A 42 -5.834 2.144 -9.836 1.00 0.00 C ATOM 648 CG ASP A 42 -6.628 0.908 -10.238 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.100 -0.212 -10.148 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.803 1.055 -10.661 1.00 0.00 O ATOM 0 H ASP A 42 -4.703 0.440 -7.808 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.328 3.314 -8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.370 3.031 -10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.877 2.133 -10.358 1.00 0.00 H new ATOM 655 N GLY A 43 -7.914 2.466 -7.771 1.00 0.00 N ATOM 656 CA GLY A 43 -9.135 2.132 -7.081 1.00 0.00 C ATOM 657 C GLY A 43 -9.505 0.684 -7.226 1.00 0.00 C ATOM 658 O GLY A 43 -9.839 0.062 -6.251 1.00 0.00 O ATOM 0 H GLY A 43 -8.006 3.227 -8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.027 2.371 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.946 2.750 -7.466 1.00 0.00 H new ATOM 662 N ASN A 44 -9.370 0.133 -8.432 1.00 0.00 N ATOM 663 CA ASN A 44 -9.690 -1.269 -8.692 1.00 0.00 C ATOM 664 C ASN A 44 -8.946 -2.185 -7.785 1.00 0.00 C ATOM 665 O ASN A 44 -9.520 -3.138 -7.260 1.00 0.00 O ATOM 666 CB ASN A 44 -9.436 -1.651 -10.131 1.00 0.00 C ATOM 667 CG ASN A 44 -10.476 -1.123 -11.083 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.499 -1.771 -11.333 1.00 0.00 O ATOM 669 ND2 ASN A 44 -10.231 0.033 -11.629 1.00 0.00 N ATOM 0 H ASN A 44 -9.038 0.643 -9.251 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.756 -1.378 -8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.457 -1.277 -10.431 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.400 -2.738 -10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.895 0.436 -12.290 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.375 0.536 -11.396 1.00 0.00 H new ATOM 676 N LYS A 45 -7.679 -1.903 -7.596 1.00 0.00 N ATOM 677 CA LYS A 45 -6.877 -2.669 -6.681 1.00 0.00 C ATOM 678 C LYS A 45 -7.367 -2.493 -5.258 1.00 0.00 C ATOM 679 O LYS A 45 -7.620 -3.456 -4.596 1.00 0.00 O ATOM 680 CB LYS A 45 -5.404 -2.318 -6.782 1.00 0.00 C ATOM 681 CG LYS A 45 -4.881 -2.372 -8.194 1.00 0.00 C ATOM 682 CD LYS A 45 -3.410 -2.754 -8.268 1.00 0.00 C ATOM 683 CE LYS A 45 -3.114 -4.130 -7.660 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.849 -5.226 -8.326 1.00 0.00 N ATOM 0 H LYS A 45 -7.183 -1.146 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.983 -3.717 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.246 -1.317 -6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.829 -3.005 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.467 -3.092 -8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.023 -1.400 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.091 -2.748 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.818 -2.000 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.044 -4.327 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.373 -4.117 -6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.558 -6.137 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.871 -5.094 -8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.636 -5.219 -9.344 1.00 0.00 H new ATOM 698 N LEU A 46 -7.564 -1.249 -4.832 1.00 0.00 N ATOM 699 CA LEU A 46 -8.025 -0.925 -3.456 1.00 0.00 C ATOM 700 C LEU A 46 -9.383 -1.551 -3.163 1.00 0.00 C ATOM 701 O LEU A 46 -9.704 -1.919 -2.016 1.00 0.00 O ATOM 702 CB LEU A 46 -8.101 0.588 -3.286 1.00 0.00 C ATOM 703 CG LEU A 46 -6.779 1.340 -3.500 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.975 2.837 -3.373 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.704 0.846 -2.537 1.00 0.00 C ATOM 0 H LEU A 46 -7.413 -0.428 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.307 -1.339 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.840 0.979 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.466 0.806 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.440 1.133 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.022 3.343 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.692 3.175 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.351 3.071 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.779 1.396 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.034 1.006 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.530 -0.218 -2.700 1.00 0.00 H new ATOM 717 N LYS A 47 -10.163 -1.678 -4.193 1.00 0.00 N ATOM 718 CA LYS A 47 -11.446 -2.294 -4.107 1.00 0.00 C ATOM 719 C LYS A 47 -11.298 -3.808 -4.061 1.00 0.00 C ATOM 720 O LYS A 47 -12.082 -4.496 -3.417 1.00 0.00 O ATOM 721 CB LYS A 47 -12.335 -1.853 -5.268 1.00 0.00 C ATOM 722 CG LYS A 47 -12.629 -0.354 -5.286 1.00 0.00 C ATOM 723 CD LYS A 47 -13.294 0.090 -6.590 1.00 0.00 C ATOM 724 CE LYS A 47 -14.629 -0.610 -6.799 1.00 0.00 C ATOM 725 NZ LYS A 47 -15.328 -0.160 -8.018 1.00 0.00 N ATOM 0 H LYS A 47 -9.920 -1.351 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.930 -1.974 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.855 -2.131 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.278 -2.398 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.277 -0.103 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.699 0.198 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.446 1.169 -6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.633 -0.126 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.464 -1.686 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.267 -0.431 -5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.230 -0.670 -8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.512 0.862 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.735 -0.354 -8.850 1.00 0.00 H new ATOM 739 N ALA A 48 -10.254 -4.312 -4.693 1.00 0.00 N ATOM 740 CA ALA A 48 -9.972 -5.745 -4.737 1.00 0.00 C ATOM 741 C ALA A 48 -9.339 -6.226 -3.431 1.00 0.00 C ATOM 742 O ALA A 48 -9.059 -7.418 -3.255 1.00 0.00 O ATOM 743 CB ALA A 48 -9.088 -6.090 -5.919 1.00 0.00 C ATOM 0 H ALA A 48 -9.572 -3.742 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.923 -6.263 -4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.894 -7.163 -5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.589 -5.805 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.144 -5.551 -5.837 1.00 0.00 H new ATOM 749 N LEU A 49 -9.073 -5.286 -2.538 1.00 0.00 N ATOM 750 CA LEU A 49 -8.651 -5.596 -1.194 1.00 0.00 C ATOM 751 C LEU A 49 -9.895 -5.843 -0.337 1.00 0.00 C ATOM 752 O LEU A 49 -9.810 -6.220 0.818 1.00 0.00 O ATOM 753 CB LEU A 49 -7.792 -4.460 -0.575 1.00 0.00 C ATOM 754 CG LEU A 49 -6.255 -4.415 -0.878 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.549 -5.671 -0.468 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.937 -4.105 -2.307 1.00 0.00 C ATOM 0 H LEU A 49 -9.146 -4.287 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.024 -6.487 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.219 -3.511 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.912 -4.510 0.507 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.884 -3.591 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.488 -5.585 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.674 -5.825 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.971 -6.519 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.856 -4.090 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.374 -4.868 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.349 -3.130 -2.568 1.00 0.00 H new ATOM 768 N GLY A 50 -11.062 -5.579 -0.918 1.00 0.00 N ATOM 769 CA GLY A 50 -12.336 -5.824 -0.255 1.00 0.00 C ATOM 770 C GLY A 50 -12.644 -4.841 0.855 1.00 0.00 C ATOM 771 O GLY A 50 -13.693 -4.914 1.479 1.00 0.00 O ATOM 0 H GLY A 50 -11.150 -5.191 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.135 -5.784 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.333 -6.833 0.156 1.00 0.00 H new ATOM 775 N MET A 51 -11.743 -3.926 1.101 1.00 0.00 N ATOM 776 CA MET A 51 -11.941 -2.968 2.159 1.00 0.00 C ATOM 777 C MET A 51 -12.750 -1.811 1.641 1.00 0.00 C ATOM 778 O MET A 51 -13.755 -1.434 2.246 1.00 0.00 O ATOM 779 CB MET A 51 -10.620 -2.512 2.740 1.00 0.00 C ATOM 780 CG MET A 51 -10.761 -1.653 3.988 1.00 0.00 C ATOM 781 SD MET A 51 -11.557 -2.530 5.346 1.00 0.00 S ATOM 782 CE MET A 51 -11.550 -1.258 6.616 1.00 0.00 C ATOM 0 H MET A 51 -10.868 -3.823 0.586 1.00 0.00 H new ATOM 0 HA MET A 51 -12.493 -3.442 2.971 1.00 0.00 H new ATOM 0 HB2 MET A 51 -10.018 -3.388 2.980 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.076 -1.949 1.982 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.774 -1.316 4.306 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.340 -0.761 3.747 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.011 -1.647 7.524 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.523 -0.962 6.829 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.112 -0.392 6.266 1.00 0.00 H new ATOM 792 N THR A 52 -12.320 -1.254 0.489 1.00 0.00 N ATOM 793 CA THR A 52 -13.045 -0.195 -0.235 1.00 0.00 C ATOM 794 C THR A 52 -13.386 1.009 0.678 1.00 0.00 C ATOM 795 O THR A 52 -14.375 1.697 0.481 1.00 0.00 O ATOM 796 CB THR A 52 -14.345 -0.781 -0.894 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.266 -1.305 0.087 1.00 0.00 O ATOM 798 CG2 THR A 52 -13.995 -1.897 -1.855 1.00 0.00 C ATOM 0 H THR A 52 -11.451 -1.532 0.033 1.00 0.00 H new ATOM 0 HA THR A 52 -12.386 0.178 -1.019 1.00 0.00 H new ATOM 0 HB THR A 52 -14.823 0.045 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.975 -1.038 0.984 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.907 -2.291 -2.302 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.344 -1.511 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.481 -2.693 -1.316 1.00 0.00 H new ATOM 806 N SER A 53 -12.527 1.257 1.638 1.00 0.00 N ATOM 807 CA SER A 53 -12.745 2.294 2.630 1.00 0.00 C ATOM 808 C SER A 53 -12.550 3.688 2.013 1.00 0.00 C ATOM 809 O SER A 53 -11.534 3.947 1.364 1.00 0.00 O ATOM 810 CB SER A 53 -11.801 2.068 3.810 1.00 0.00 C ATOM 811 OG SER A 53 -12.047 2.957 4.883 1.00 0.00 O ATOM 0 H SER A 53 -11.653 0.746 1.757 1.00 0.00 H new ATOM 0 HA SER A 53 -13.773 2.243 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.905 1.042 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.771 2.186 3.474 1.00 0.00 H new ATOM 0 HG SER A 53 -11.300 3.586 4.964 1.00 0.00 H new ATOM 817 N SER A 54 -13.532 4.556 2.237 1.00 0.00 N ATOM 818 CA SER A 54 -13.595 5.915 1.692 1.00 0.00 C ATOM 819 C SER A 54 -12.332 6.746 1.991 1.00 0.00 C ATOM 820 O SER A 54 -11.706 7.278 1.057 1.00 0.00 O ATOM 821 CB SER A 54 -14.871 6.610 2.216 1.00 0.00 C ATOM 822 OG SER A 54 -14.926 8.000 1.902 1.00 0.00 O ATOM 0 H SER A 54 -14.335 4.328 2.823 1.00 0.00 H new ATOM 0 HA SER A 54 -13.639 5.841 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.745 6.115 1.794 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.925 6.487 3.298 1.00 0.00 H new ATOM 0 HG SER A 54 -15.755 8.383 2.257 1.00 0.00 H new ATOM 828 N GLN A 55 -11.970 6.850 3.279 1.00 0.00 N ATOM 829 CA GLN A 55 -10.767 7.571 3.727 1.00 0.00 C ATOM 830 C GLN A 55 -9.572 7.109 2.943 1.00 0.00 C ATOM 831 O GLN A 55 -8.869 7.884 2.285 1.00 0.00 O ATOM 832 CB GLN A 55 -10.477 7.228 5.200 1.00 0.00 C ATOM 833 CG GLN A 55 -9.110 7.721 5.686 1.00 0.00 C ATOM 834 CD GLN A 55 -8.630 6.987 6.916 1.00 0.00 C ATOM 835 OE1 GLN A 55 -8.903 7.401 8.046 1.00 0.00 O ATOM 836 NE2 GLN A 55 -7.939 5.877 6.723 1.00 0.00 N ATOM 0 H GLN A 55 -12.505 6.435 4.042 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.942 8.638 3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.255 7.664 5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.532 6.147 5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.379 7.599 4.887 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.169 8.787 5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.731 5.564 5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.614 5.333 7.522 1.00 0.00 H new ATOM 845 N ASP A 56 -9.387 5.831 3.008 1.00 0.00 N ATOM 846 CA ASP A 56 -8.266 5.153 2.481 1.00 0.00 C ATOM 847 C ASP A 56 -8.182 5.323 1.009 1.00 0.00 C ATOM 848 O ASP A 56 -7.136 5.637 0.512 1.00 0.00 O ATOM 849 CB ASP A 56 -8.348 3.715 2.899 1.00 0.00 C ATOM 850 CG ASP A 56 -8.446 3.642 4.406 1.00 0.00 C ATOM 851 OD1 ASP A 56 -9.579 3.757 4.934 1.00 0.00 O ATOM 852 OD2 ASP A 56 -7.430 3.581 5.064 1.00 0.00 O ATOM 0 H ASP A 56 -10.056 5.205 3.457 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.343 5.577 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.216 3.240 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.469 3.172 2.553 1.00 0.00 H new ATOM 857 N ARG A 57 -9.317 5.230 0.325 1.00 0.00 N ATOM 858 CA ARG A 57 -9.399 5.421 -1.131 1.00 0.00 C ATOM 859 C ARG A 57 -8.781 6.728 -1.594 1.00 0.00 C ATOM 860 O ARG A 57 -8.343 6.829 -2.733 1.00 0.00 O ATOM 861 CB ARG A 57 -10.843 5.294 -1.629 1.00 0.00 C ATOM 862 CG ARG A 57 -11.271 3.863 -1.876 1.00 0.00 C ATOM 863 CD ARG A 57 -10.636 3.320 -3.157 1.00 0.00 C ATOM 864 NE ARG A 57 -11.275 3.866 -4.371 1.00 0.00 N ATOM 865 CZ ARG A 57 -10.736 4.744 -5.251 1.00 0.00 C ATOM 866 NH1 ARG A 57 -9.600 5.397 -4.970 1.00 0.00 N ATOM 867 NH2 ARG A 57 -11.376 5.009 -6.384 1.00 0.00 N ATOM 0 H ARG A 57 -10.215 5.019 0.761 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.807 4.621 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.513 5.744 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.952 5.862 -2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.982 3.241 -1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.357 3.812 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.574 3.565 -3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.713 2.233 -3.166 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.224 3.548 -4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.126 5.237 -4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.209 6.054 -5.645 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.266 4.553 -6.586 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.978 5.669 -7.052 1.00 0.00 H new ATOM 881 N ALA A 58 -8.742 7.705 -0.718 1.00 0.00 N ATOM 882 CA ALA A 58 -8.117 8.962 -1.026 1.00 0.00 C ATOM 883 C ALA A 58 -6.721 9.050 -0.397 1.00 0.00 C ATOM 884 O ALA A 58 -5.777 9.544 -1.018 1.00 0.00 O ATOM 885 CB ALA A 58 -8.987 10.111 -0.553 1.00 0.00 C ATOM 0 H ALA A 58 -9.140 7.648 0.219 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.004 9.031 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.502 11.057 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.955 10.063 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.130 10.039 0.525 1.00 0.00 H new ATOM 891 N LEU A 59 -6.582 8.534 0.806 1.00 0.00 N ATOM 892 CA LEU A 59 -5.335 8.661 1.552 1.00 0.00 C ATOM 893 C LEU A 59 -4.219 7.795 1.011 1.00 0.00 C ATOM 894 O LEU A 59 -3.129 8.306 0.693 1.00 0.00 O ATOM 895 CB LEU A 59 -5.490 8.376 3.031 1.00 0.00 C ATOM 896 CG LEU A 59 -4.176 8.524 3.801 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.622 9.925 3.658 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.323 8.165 5.244 1.00 0.00 C ATOM 0 H LEU A 59 -7.316 8.020 1.294 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.064 9.708 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.232 9.055 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.872 7.364 3.164 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.469 7.820 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.688 10.005 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.437 10.137 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.342 10.643 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.364 8.286 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.062 8.818 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.650 7.129 5.330 1.00 0.00 H new ATOM 910 N VAL A 60 -4.466 6.487 0.900 1.00 0.00 N ATOM 911 CA VAL A 60 -3.445 5.560 0.402 1.00 0.00 C ATOM 912 C VAL A 60 -3.046 5.967 -1.000 1.00 0.00 C ATOM 913 O VAL A 60 -1.907 5.859 -1.392 1.00 0.00 O ATOM 914 CB VAL A 60 -3.908 4.054 0.404 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.136 3.830 -0.432 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.823 3.188 -0.115 1.00 0.00 C ATOM 0 H VAL A 60 -5.354 6.049 1.145 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.598 5.624 1.085 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.145 3.801 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.413 2.776 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.956 4.434 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.931 4.117 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.153 2.149 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.576 3.485 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.941 3.292 0.517 1.00 0.00 H new ATOM 926 N LYS A 61 -3.976 6.609 -1.641 1.00 0.00 N ATOM 927 CA LYS A 61 -3.896 6.969 -3.024 1.00 0.00 C ATOM 928 C LYS A 61 -2.893 8.088 -3.215 1.00 0.00 C ATOM 929 O LYS A 61 -2.221 8.186 -4.235 1.00 0.00 O ATOM 930 CB LYS A 61 -5.279 7.381 -3.505 1.00 0.00 C ATOM 931 CG LYS A 61 -5.354 7.709 -4.969 1.00 0.00 C ATOM 932 CD LYS A 61 -4.983 6.512 -5.822 1.00 0.00 C ATOM 933 CE LYS A 61 -5.006 6.906 -7.254 1.00 0.00 C ATOM 934 NZ LYS A 61 -4.614 5.812 -8.165 1.00 0.00 N ATOM 0 H LYS A 61 -4.845 6.908 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.556 6.117 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.981 6.575 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.606 8.250 -2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.363 8.037 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.684 8.539 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.992 6.149 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.682 5.695 -5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.008 7.245 -7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.335 7.752 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.963 6.179 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.141 5.061 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.461 5.424 -8.626 1.00 0.00 H new ATOM 948 N LYS A 62 -2.759 8.873 -2.198 1.00 0.00 N ATOM 949 CA LYS A 62 -1.846 9.980 -2.209 1.00 0.00 C ATOM 950 C LYS A 62 -0.476 9.479 -1.828 1.00 0.00 C ATOM 951 O LYS A 62 0.524 9.815 -2.446 1.00 0.00 O ATOM 952 CB LYS A 62 -2.332 11.070 -1.235 1.00 0.00 C ATOM 953 CG LYS A 62 -1.337 12.196 -1.003 1.00 0.00 C ATOM 954 CD LYS A 62 -1.927 13.345 -0.183 1.00 0.00 C ATOM 955 CE LYS A 62 -2.432 12.888 1.182 1.00 0.00 C ATOM 956 NZ LYS A 62 -2.963 14.010 1.986 1.00 0.00 N ATOM 0 H LYS A 62 -3.281 8.768 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.798 10.422 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.260 11.495 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.566 10.606 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.461 11.801 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.997 12.579 -1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.169 14.117 -0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.748 13.799 -0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.212 12.139 1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.619 12.407 1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.294 13.652 2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.212 14.713 2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.756 14.454 1.481 1.00 0.00 H new ATOM 970 N LYS A 63 -0.471 8.600 -0.874 1.00 0.00 N ATOM 971 CA LYS A 63 0.735 8.076 -0.306 1.00 0.00 C ATOM 972 C LYS A 63 1.470 7.178 -1.301 1.00 0.00 C ATOM 973 O LYS A 63 2.677 7.254 -1.438 1.00 0.00 O ATOM 974 CB LYS A 63 0.391 7.257 0.909 1.00 0.00 C ATOM 975 CG LYS A 63 1.390 7.400 2.040 1.00 0.00 C ATOM 976 CD LYS A 63 1.294 8.769 2.699 1.00 0.00 C ATOM 977 CE LYS A 63 -0.093 9.024 3.325 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.108 10.307 4.074 1.00 0.00 N ATOM 0 H LYS A 63 -1.321 8.218 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 63 1.380 8.914 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.596 7.551 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.327 6.207 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.212 6.624 2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.399 7.249 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.059 8.852 3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.503 9.541 1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.851 9.046 2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.350 8.204 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.665 10.194 4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.866 10.578 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.535 11.049 3.483 1.00 0.00 H new ATOM 992 N LEU A 64 0.713 6.347 -1.997 1.00 0.00 N ATOM 993 CA LEU A 64 1.263 5.358 -2.912 1.00 0.00 C ATOM 994 C LEU A 64 1.958 5.996 -4.102 1.00 0.00 C ATOM 995 O LEU A 64 2.935 5.456 -4.627 1.00 0.00 O ATOM 996 CB LEU A 64 0.173 4.343 -3.331 1.00 0.00 C ATOM 997 CG LEU A 64 -0.952 4.813 -4.272 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.563 4.681 -5.732 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.246 4.080 -3.978 1.00 0.00 C ATOM 0 H LEU A 64 -0.306 6.338 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 64 2.040 4.806 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.672 3.500 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.293 3.964 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.114 5.874 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.385 5.024 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.321 5.287 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.345 3.637 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.025 4.430 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.098 3.009 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.548 4.273 -2.949 1.00 0.00 H new ATOM 1011 N LYS A 65 1.498 7.159 -4.499 1.00 0.00 N ATOM 1012 CA LYS A 65 2.105 7.822 -5.644 1.00 0.00 C ATOM 1013 C LYS A 65 3.363 8.593 -5.249 1.00 0.00 C ATOM 1014 O LYS A 65 4.238 8.837 -6.075 1.00 0.00 O ATOM 1015 CB LYS A 65 1.104 8.711 -6.401 1.00 0.00 C ATOM 1016 CG LYS A 65 0.465 9.803 -5.566 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.480 10.679 -6.389 1.00 0.00 C ATOM 1018 CE LYS A 65 -1.631 9.883 -7.002 1.00 0.00 C ATOM 1019 NZ LYS A 65 -2.559 10.750 -7.763 1.00 0.00 N ATOM 0 H LYS A 65 0.725 7.661 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 65 2.411 7.037 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.616 9.172 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.316 8.079 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.086 9.352 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.244 10.425 -5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.885 11.467 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.083 11.168 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.229 9.114 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.179 9.370 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.325 10.172 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.962 11.468 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.042 11.220 -8.533 1.00 0.00 H new ATOM 1033 N GLU A 66 3.476 8.940 -3.976 1.00 0.00 N ATOM 1034 CA GLU A 66 4.643 9.665 -3.505 1.00 0.00 C ATOM 1035 C GLU A 66 5.606 8.718 -2.821 1.00 0.00 C ATOM 1036 O GLU A 66 6.633 9.137 -2.275 1.00 0.00 O ATOM 1037 CB GLU A 66 4.251 10.801 -2.567 1.00 0.00 C ATOM 1038 CG GLU A 66 3.606 10.354 -1.271 1.00 0.00 C ATOM 1039 CD GLU A 66 3.122 11.515 -0.457 1.00 0.00 C ATOM 1040 OE1 GLU A 66 3.895 12.058 0.361 1.00 0.00 O ATOM 1041 OE2 GLU A 66 1.965 11.937 -0.623 1.00 0.00 O ATOM 0 H GLU A 66 2.781 8.733 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 66 5.137 10.107 -4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.141 11.385 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.563 11.465 -3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.769 9.692 -1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.324 9.777 -0.689 1.00 0.00 H new ATOM 1048 N MET A 67 5.302 7.414 -2.918 1.00 0.00 N ATOM 1049 CA MET A 67 6.108 6.350 -2.300 1.00 0.00 C ATOM 1050 C MET A 67 7.549 6.401 -2.667 1.00 0.00 C ATOM 1051 O MET A 67 8.395 5.957 -1.927 1.00 0.00 O ATOM 1052 CB MET A 67 5.553 4.966 -2.577 1.00 0.00 C ATOM 1053 CG MET A 67 4.560 4.590 -1.545 1.00 0.00 C ATOM 1054 SD MET A 67 5.294 4.746 0.086 1.00 0.00 S ATOM 1055 CE MET A 67 6.465 3.403 0.088 1.00 0.00 C ATOM 0 H MET A 67 4.489 7.068 -3.428 1.00 0.00 H new ATOM 0 HA MET A 67 6.039 6.545 -1.230 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.088 4.945 -3.563 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.364 4.238 -2.592 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.681 5.230 -1.622 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.223 3.566 -1.706 1.00 0.00 H new ATOM 0 HE1 MET A 67 6.783 3.199 1.110 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.998 2.512 -0.331 1.00 0.00 H new ATOM 0 HE3 MET A 67 7.332 3.675 -0.514 1.00 0.00 H new ATOM 1065 N LYS A 68 7.807 6.991 -3.780 1.00 0.00 N ATOM 1066 CA LYS A 68 9.143 7.158 -4.301 1.00 0.00 C ATOM 1067 C LYS A 68 10.033 8.009 -3.380 1.00 0.00 C ATOM 1068 O LYS A 68 11.240 7.831 -3.350 1.00 0.00 O ATOM 1069 CB LYS A 68 9.055 7.700 -5.713 1.00 0.00 C ATOM 1070 CG LYS A 68 8.299 9.023 -5.861 1.00 0.00 C ATOM 1071 CD LYS A 68 7.948 9.300 -7.324 1.00 0.00 C ATOM 1072 CE LYS A 68 6.931 8.279 -7.854 1.00 0.00 C ATOM 1073 NZ LYS A 68 6.650 8.448 -9.284 1.00 0.00 N ATOM 0 H LYS A 68 7.083 7.387 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 68 9.637 6.187 -4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.066 7.834 -6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.572 6.952 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.387 8.992 -5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.908 9.838 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.540 10.306 -7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.853 9.265 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.309 7.272 -7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.002 8.373 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.958 7.734 -9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.263 9.399 -9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.529 8.332 -9.827 1.00 0.00 H new ATOM 1087 N MET A 69 9.436 8.909 -2.620 1.00 0.00 N ATOM 1088 CA MET A 69 10.199 9.665 -1.644 1.00 0.00 C ATOM 1089 C MET A 69 9.906 9.120 -0.253 1.00 0.00 C ATOM 1090 O MET A 69 10.756 9.146 0.641 1.00 0.00 O ATOM 1091 CB MET A 69 9.888 11.186 -1.686 1.00 0.00 C ATOM 1092 CG MET A 69 8.451 11.563 -1.319 1.00 0.00 C ATOM 1093 SD MET A 69 8.211 13.342 -1.055 1.00 0.00 S ATOM 1094 CE MET A 69 8.597 14.014 -2.667 1.00 0.00 C ATOM 0 H MET A 69 8.441 9.132 -2.658 1.00 0.00 H new ATOM 0 HA MET A 69 11.255 9.550 -1.890 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.567 11.699 -1.005 1.00 0.00 H new ATOM 0 HB3 MET A 69 10.100 11.557 -2.689 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.783 11.229 -2.113 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.164 11.028 -0.414 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.404 15.087 -2.670 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.648 13.834 -2.894 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.975 13.532 -3.421 1.00 0.00 H new ATOM 1104 N SER A 70 8.720 8.572 -0.095 1.00 0.00 N ATOM 1105 CA SER A 70 8.257 8.134 1.203 1.00 0.00 C ATOM 1106 C SER A 70 8.888 6.812 1.637 1.00 0.00 C ATOM 1107 O SER A 70 9.083 6.594 2.821 1.00 0.00 O ATOM 1108 CB SER A 70 6.738 8.054 1.208 1.00 0.00 C ATOM 1109 OG SER A 70 6.195 9.289 0.774 1.00 0.00 O ATOM 0 H SER A 70 8.056 8.419 -0.854 1.00 0.00 H new ATOM 0 HA SER A 70 8.576 8.874 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.404 7.249 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.379 7.820 2.210 1.00 0.00 H new ATOM 0 HG SER A 70 6.337 9.388 -0.191 1.00 0.00 H new ATOM 1115 N LEU A 71 9.253 5.960 0.674 1.00 0.00 N ATOM 1116 CA LEU A 71 9.855 4.649 0.964 1.00 0.00 C ATOM 1117 C LEU A 71 11.124 4.782 1.758 1.00 0.00 C ATOM 1118 O LEU A 71 11.459 3.929 2.586 1.00 0.00 O ATOM 1119 CB LEU A 71 10.141 3.897 -0.345 1.00 0.00 C ATOM 1120 CG LEU A 71 11.256 4.445 -1.306 1.00 0.00 C ATOM 1121 CD1 LEU A 71 12.645 3.907 -0.969 1.00 0.00 C ATOM 1122 CD2 LEU A 71 10.923 4.154 -2.749 1.00 0.00 C ATOM 0 H LEU A 71 9.142 6.154 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 71 9.140 4.085 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.404 2.872 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.210 3.854 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 71 11.281 5.524 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.374 4.320 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.911 4.197 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.643 2.820 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.713 4.545 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.839 3.077 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.977 4.630 -3.007 1.00 0.00 H new ATOM 1134 N GLU A 72 11.825 5.837 1.485 1.00 0.00 N ATOM 1135 CA GLU A 72 13.072 6.077 2.082 1.00 0.00 C ATOM 1136 C GLU A 72 12.916 6.677 3.466 1.00 0.00 C ATOM 1137 O GLU A 72 13.502 6.198 4.446 1.00 0.00 O ATOM 1138 CB GLU A 72 13.892 7.019 1.196 1.00 0.00 C ATOM 1139 CG GLU A 72 14.983 7.764 1.945 1.00 0.00 C ATOM 1140 CD GLU A 72 15.772 8.685 1.078 1.00 0.00 C ATOM 1141 OE1 GLU A 72 15.237 9.734 0.675 1.00 0.00 O ATOM 1142 OE2 GLU A 72 16.939 8.385 0.781 1.00 0.00 O ATOM 0 H GLU A 72 11.530 6.559 0.828 1.00 0.00 H new ATOM 0 HA GLU A 72 13.590 5.123 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.345 6.443 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.222 7.743 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.531 8.337 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.658 7.041 2.403 1.00 0.00 H new ATOM 1149 N LYS A 73 12.116 7.708 3.536 1.00 0.00 N ATOM 1150 CA LYS A 73 12.048 8.519 4.719 1.00 0.00 C ATOM 1151 C LYS A 73 11.107 7.914 5.767 1.00 0.00 C ATOM 1152 O LYS A 73 11.212 8.228 6.949 1.00 0.00 O ATOM 1153 CB LYS A 73 11.654 9.948 4.323 1.00 0.00 C ATOM 1154 CG LYS A 73 12.485 10.463 3.138 1.00 0.00 C ATOM 1155 CD LYS A 73 12.177 11.900 2.771 1.00 0.00 C ATOM 1156 CE LYS A 73 12.856 12.310 1.452 1.00 0.00 C ATOM 1157 NZ LYS A 73 14.328 12.111 1.453 1.00 0.00 N ATOM 0 H LYS A 73 11.499 8.006 2.781 1.00 0.00 H new ATOM 0 HA LYS A 73 13.029 8.552 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.596 9.974 4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.789 10.612 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.544 10.376 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.303 9.827 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.098 12.029 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.511 12.560 3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.421 11.735 0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.640 13.360 1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.785 12.894 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.674 12.087 2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.557 11.212 0.983 1.00 0.00 H new ATOM 1171 N ALA A 74 10.216 7.043 5.297 1.00 0.00 N ATOM 1172 CA ALA A 74 9.255 6.286 6.106 1.00 0.00 C ATOM 1173 C ALA A 74 8.437 7.179 7.034 1.00 0.00 C ATOM 1174 O ALA A 74 8.554 7.061 8.277 1.00 0.00 O ATOM 1175 CB ALA A 74 9.958 5.163 6.874 1.00 0.00 C ATOM 1176 OXT ALA A 74 7.677 8.033 6.525 1.00 0.00 O ATOM 0 H ALA A 74 10.139 6.835 4.301 1.00 0.00 H new ATOM 0 HA ALA A 74 8.542 5.832 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.226 4.615 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.436 4.483 6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.713 5.591 7.534 1.00 0.00 H new TER 1182 ALA A 74