USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 397 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 10 SER OG : rot 95:sc= 1.04 USER MOD Set 1.2: A 43 THR OG1 : rot -155:sc= 0.964 USER MOD Set 2.1: A 24 ASN : amide:sc= 0.528 X(o=1.3,f=1.5) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0.753 USER MOD Single : A 1 SER N :NH3+ 140:sc= 0.0268 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00889 USER MOD Single : A 3 MET CE :methyl -141:sc=-0.00129 (180deg=-0.163) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -87:sc= 1.22 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.201 F(o=-1.5,f=-0.2) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc=-0.00174 (180deg=-0.0776) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 176:sc= 0.0952 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 111:sc= 0.527 USER MOD Single : A 46 ASN : amide:sc= 0.204 K(o=0.2,f=-4.6!) USER MOD Single : A 47 TYR OH : rot 39:sc= 1.67 USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.0201 (180deg=-0.222) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.546 4.530 6.003 1.00 0.00 N ATOM 2 CA SER A 1 17.641 4.574 4.830 1.00 0.00 C ATOM 3 C SER A 1 16.434 3.672 5.053 1.00 0.00 C ATOM 4 O SER A 1 16.551 2.586 5.619 1.00 0.00 O ATOM 5 CB SER A 1 18.417 4.125 3.592 1.00 0.00 C ATOM 6 OG SER A 1 19.563 4.938 3.378 1.00 0.00 O ATOM 0 H1 SER A 1 19.534 4.521 5.679 1.00 0.00 H new ATOM 0 H2 SER A 1 18.384 5.368 6.598 1.00 0.00 H new ATOM 0 H3 SER A 1 18.355 3.670 6.557 1.00 0.00 H new ATOM 0 HA SER A 1 17.279 5.592 4.688 1.00 0.00 H new ATOM 0 HB2 SER A 1 18.723 3.085 3.709 1.00 0.00 H new ATOM 0 HB3 SER A 1 17.768 4.170 2.717 1.00 0.00 H new ATOM 0 HG SER A 1 20.041 4.627 2.581 1.00 0.00 H new ATOM 12 N TRP A 2 15.277 4.126 4.608 1.00 0.00 N ATOM 13 CA TRP A 2 14.052 3.362 4.757 1.00 0.00 C ATOM 14 C TRP A 2 13.758 2.606 3.477 1.00 0.00 C ATOM 15 O TRP A 2 13.690 3.204 2.402 1.00 0.00 O ATOM 16 CB TRP A 2 12.891 4.294 5.098 1.00 0.00 C ATOM 17 CG TRP A 2 13.073 5.001 6.406 1.00 0.00 C ATOM 18 CD1 TRP A 2 12.989 4.455 7.651 1.00 0.00 C ATOM 19 CD2 TRP A 2 13.401 6.383 6.593 1.00 0.00 C ATOM 20 NE1 TRP A 2 13.234 5.413 8.602 1.00 0.00 N ATOM 21 CE2 TRP A 2 13.489 6.606 7.979 1.00 0.00 C ATOM 22 CE3 TRP A 2 13.620 7.457 5.723 1.00 0.00 C ATOM 23 CZ2 TRP A 2 13.787 7.854 8.514 1.00 0.00 C ATOM 24 CZ3 TRP A 2 13.923 8.695 6.256 1.00 0.00 C ATOM 25 CH2 TRP A 2 14.003 8.883 7.641 1.00 0.00 C ATOM 0 H TRP A 2 15.160 5.024 4.138 1.00 0.00 H new ATOM 0 HA TRP A 2 14.176 2.646 5.570 1.00 0.00 H new ATOM 0 HB2 TRP A 2 12.780 5.033 4.304 1.00 0.00 H new ATOM 0 HB3 TRP A 2 11.966 3.718 5.128 1.00 0.00 H new ATOM 0 HD1 TRP A 2 12.763 3.420 7.859 1.00 0.00 H new ATOM 0 HE1 TRP A 2 13.227 5.261 9.611 1.00 0.00 H new ATOM 0 HE3 TRP A 2 13.553 7.320 4.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 13.846 8.005 9.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 14.101 9.530 5.595 1.00 0.00 H new ATOM 0 HH2 TRP A 2 14.241 9.863 8.028 1.00 0.00 H new ATOM 36 N MET A 3 13.584 1.295 3.593 1.00 0.00 N ATOM 37 CA MET A 3 13.294 0.459 2.461 1.00 0.00 C ATOM 38 C MET A 3 11.903 0.784 1.922 1.00 0.00 C ATOM 39 O MET A 3 10.902 0.609 2.618 1.00 0.00 O ATOM 40 CB MET A 3 13.419 -0.995 2.917 1.00 0.00 C ATOM 41 CG MET A 3 12.576 -1.966 2.145 1.00 0.00 C ATOM 42 SD MET A 3 13.228 -2.313 0.503 1.00 0.00 S ATOM 43 CE MET A 3 11.986 -3.446 -0.118 1.00 0.00 C ATOM 0 H MET A 3 13.642 0.793 4.479 1.00 0.00 H new ATOM 0 HA MET A 3 13.994 0.633 1.644 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.463 -1.298 2.839 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.148 -1.056 3.971 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.501 -2.898 2.705 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.566 -1.568 2.052 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.469 -4.235 -0.694 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.445 -3.887 0.719 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.288 -2.906 -0.757 1.00 0.00 H new ATOM 53 N SER A 4 11.857 1.295 0.699 1.00 0.00 N ATOM 54 CA SER A 4 10.598 1.681 0.075 1.00 0.00 C ATOM 55 C SER A 4 9.882 0.485 -0.539 1.00 0.00 C ATOM 56 O SER A 4 10.164 -0.669 -0.204 1.00 0.00 O ATOM 57 CB SER A 4 10.853 2.754 -0.986 1.00 0.00 C ATOM 58 OG SER A 4 11.589 3.835 -0.438 1.00 0.00 O ATOM 0 H SER A 4 12.680 1.452 0.117 1.00 0.00 H new ATOM 0 HA SER A 4 9.948 2.086 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.401 2.322 -1.823 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.903 3.116 -1.380 1.00 0.00 H new ATOM 0 HG SER A 4 11.744 4.510 -1.131 1.00 0.00 H new ATOM 64 N THR A 5 8.947 0.774 -1.430 1.00 0.00 N ATOM 65 CA THR A 5 8.168 -0.256 -2.093 1.00 0.00 C ATOM 66 C THR A 5 9.021 -1.082 -3.059 1.00 0.00 C ATOM 67 O THR A 5 10.176 -0.752 -3.343 1.00 0.00 O ATOM 68 CB THR A 5 6.988 0.387 -2.825 1.00 0.00 C ATOM 69 OG1 THR A 5 7.415 1.484 -3.615 1.00 0.00 O ATOM 70 CG2 THR A 5 5.909 0.889 -1.890 1.00 0.00 C ATOM 0 H THR A 5 8.709 1.725 -1.712 1.00 0.00 H new ATOM 0 HA THR A 5 7.793 -0.942 -1.334 1.00 0.00 H new ATOM 0 HB THR A 5 6.573 -0.405 -3.448 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.424 2.297 -3.068 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.101 1.333 -2.472 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.519 0.057 -1.304 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.329 1.639 -1.220 1.00 0.00 H new ATOM 78 N VAL A 6 8.437 -2.168 -3.554 1.00 0.00 N ATOM 79 CA VAL A 6 9.109 -3.061 -4.478 1.00 0.00 C ATOM 80 C VAL A 6 8.287 -3.211 -5.726 1.00 0.00 C ATOM 81 O VAL A 6 8.746 -3.057 -6.858 1.00 0.00 O ATOM 82 CB VAL A 6 9.378 -4.439 -3.809 1.00 0.00 C ATOM 83 CG1 VAL A 6 8.508 -4.661 -2.584 1.00 0.00 C ATOM 84 CG2 VAL A 6 9.197 -5.596 -4.772 1.00 0.00 C ATOM 0 H VAL A 6 7.484 -2.450 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 6 10.074 -2.635 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 6 10.422 -4.411 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.731 -5.636 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.710 -3.882 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.457 -4.624 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.397 -6.534 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.174 -5.600 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.890 -5.487 -5.606 1.00 0.00 H new ATOM 94 N GLY A 7 7.074 -3.497 -5.445 1.00 0.00 N ATOM 95 CA GLY A 7 6.049 -3.681 -6.448 1.00 0.00 C ATOM 96 C GLY A 7 5.451 -2.360 -6.893 1.00 0.00 C ATOM 97 O GLY A 7 6.020 -1.299 -6.634 1.00 0.00 O ATOM 0 H GLY A 7 6.737 -3.617 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.473 -4.197 -7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.261 -4.320 -6.049 1.00 0.00 H new ATOM 101 N GLY A 8 4.284 -2.415 -7.519 1.00 0.00 N ATOM 102 CA GLY A 8 3.611 -1.199 -7.941 1.00 0.00 C ATOM 103 C GLY A 8 4.209 -0.547 -9.166 1.00 0.00 C ATOM 104 O GLY A 8 4.889 -1.196 -9.960 1.00 0.00 O ATOM 0 H GLY A 8 3.790 -3.279 -7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.564 -1.428 -8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.629 -0.484 -7.118 1.00 0.00 H new ATOM 108 N ASN A 9 3.947 0.748 -9.316 1.00 0.00 N ATOM 109 CA ASN A 9 4.459 1.512 -10.451 1.00 0.00 C ATOM 110 C ASN A 9 5.427 2.563 -9.936 1.00 0.00 C ATOM 111 O ASN A 9 6.354 2.978 -10.632 1.00 0.00 O ATOM 112 CB ASN A 9 3.339 2.241 -11.212 1.00 0.00 C ATOM 113 CG ASN A 9 2.284 2.862 -10.324 1.00 0.00 C ATOM 114 OD1 ASN A 9 1.520 2.040 -9.670 1.00 0.00 O flip ATOM 115 ND2 ASN A 9 2.184 4.083 -10.220 1.00 0.00 N flip ATOM 0 H ASN A 9 3.382 1.292 -8.664 1.00 0.00 H new ATOM 0 HA ASN A 9 4.942 0.809 -11.130 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.784 3.022 -11.829 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.858 1.536 -11.889 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.805 4.693 -10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.480 4.486 -9.601 1.00 0.00 H new ATOM 122 N SER A 10 5.162 3.001 -8.710 1.00 0.00 N ATOM 123 CA SER A 10 5.956 4.026 -8.040 1.00 0.00 C ATOM 124 C SER A 10 7.445 3.686 -8.051 1.00 0.00 C ATOM 125 O SER A 10 8.280 4.524 -8.391 1.00 0.00 O ATOM 126 CB SER A 10 5.448 4.177 -6.613 1.00 0.00 C ATOM 127 OG SER A 10 4.029 4.136 -6.599 1.00 0.00 O ATOM 0 H SER A 10 4.385 2.653 -8.149 1.00 0.00 H new ATOM 0 HA SER A 10 5.845 4.968 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.850 3.379 -5.988 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.798 5.119 -6.191 1.00 0.00 H new ATOM 0 HG SER A 10 3.730 3.221 -6.416 1.00 0.00 H new ATOM 133 N GLY A 11 7.772 2.452 -7.700 1.00 0.00 N ATOM 134 CA GLY A 11 9.159 2.034 -7.707 1.00 0.00 C ATOM 135 C GLY A 11 9.883 2.321 -6.407 1.00 0.00 C ATOM 136 O GLY A 11 9.955 1.459 -5.531 1.00 0.00 O ATOM 0 H GLY A 11 7.106 1.735 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.207 0.965 -7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.678 2.538 -8.522 1.00 0.00 H new ATOM 140 N GLY A 12 10.433 3.524 -6.280 1.00 0.00 N ATOM 141 CA GLY A 12 11.162 3.882 -5.074 1.00 0.00 C ATOM 142 C GLY A 12 10.417 4.873 -4.208 1.00 0.00 C ATOM 143 O GLY A 12 11.007 5.825 -3.692 1.00 0.00 O ATOM 0 H GLY A 12 10.388 4.257 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.362 2.980 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.128 4.304 -5.351 1.00 0.00 H new ATOM 147 N ALA A 13 9.123 4.654 -4.035 1.00 0.00 N ATOM 148 CA ALA A 13 8.315 5.540 -3.214 1.00 0.00 C ATOM 149 C ALA A 13 7.825 4.823 -1.967 1.00 0.00 C ATOM 150 O ALA A 13 7.536 3.629 -1.999 1.00 0.00 O ATOM 151 CB ALA A 13 7.134 6.083 -4.000 1.00 0.00 C ATOM 0 H ALA A 13 8.612 3.875 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 13 8.944 6.377 -2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.545 6.743 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.497 6.641 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.511 5.255 -4.339 1.00 0.00 H new ATOM 157 N PRO A 14 7.727 5.549 -0.851 1.00 0.00 N ATOM 158 CA PRO A 14 7.265 4.994 0.418 1.00 0.00 C ATOM 159 C PRO A 14 5.748 4.855 0.462 1.00 0.00 C ATOM 160 O PRO A 14 5.027 5.585 -0.221 1.00 0.00 O ATOM 161 CB PRO A 14 7.723 6.024 1.463 1.00 0.00 C ATOM 162 CG PRO A 14 8.430 7.114 0.712 1.00 0.00 C ATOM 163 CD PRO A 14 8.055 6.970 -0.737 1.00 0.00 C ATOM 0 HA PRO A 14 7.663 3.993 0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.871 6.423 2.013 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.387 5.564 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 14 8.138 8.094 1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.509 7.032 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.207 7.602 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.877 7.249 -1.396 1.00 0.00 H new ATOM 171 N CYS A 15 5.261 3.931 1.278 1.00 0.00 N ATOM 172 CA CYS A 15 3.823 3.732 1.412 1.00 0.00 C ATOM 173 C CYS A 15 3.233 4.836 2.286 1.00 0.00 C ATOM 174 O CYS A 15 3.857 5.254 3.261 1.00 0.00 O ATOM 175 CB CYS A 15 3.516 2.368 2.034 1.00 0.00 C ATOM 176 SG CYS A 15 4.729 1.065 1.639 1.00 0.00 S ATOM 0 H CYS A 15 5.833 3.312 1.853 1.00 0.00 H new ATOM 0 HA CYS A 15 3.376 3.768 0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.463 2.481 3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.531 2.043 1.698 1.00 0.00 H new ATOM 181 N VAL A 16 2.045 5.314 1.944 1.00 0.00 N ATOM 182 CA VAL A 16 1.416 6.377 2.720 1.00 0.00 C ATOM 183 C VAL A 16 0.215 5.868 3.502 1.00 0.00 C ATOM 184 O VAL A 16 -0.910 5.880 3.001 1.00 0.00 O ATOM 185 CB VAL A 16 0.965 7.559 1.832 1.00 0.00 C ATOM 186 CG1 VAL A 16 0.391 8.691 2.671 1.00 0.00 C ATOM 187 CG2 VAL A 16 2.117 8.072 0.995 1.00 0.00 C ATOM 0 H VAL A 16 1.501 4.989 1.145 1.00 0.00 H new ATOM 0 HA VAL A 16 2.179 6.727 3.415 1.00 0.00 H new ATOM 0 HB VAL A 16 0.183 7.190 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.083 9.508 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.471 8.328 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.150 9.049 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.776 8.904 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.920 8.411 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.485 7.271 0.354 1.00 0.00 H new ATOM 197 N PHE A 17 0.444 5.457 4.739 1.00 0.00 N ATOM 198 CA PHE A 17 -0.641 5.001 5.580 1.00 0.00 C ATOM 199 C PHE A 17 -1.173 6.123 6.451 1.00 0.00 C ATOM 200 O PHE A 17 -0.425 6.981 6.932 1.00 0.00 O ATOM 201 CB PHE A 17 -0.257 3.825 6.471 1.00 0.00 C ATOM 202 CG PHE A 17 0.620 2.789 5.853 1.00 0.00 C ATOM 203 CD1 PHE A 17 0.083 1.818 5.032 1.00 0.00 C ATOM 204 CD2 PHE A 17 1.961 2.761 6.128 1.00 0.00 C ATOM 205 CE1 PHE A 17 0.880 0.832 4.488 1.00 0.00 C ATOM 206 CE2 PHE A 17 2.773 1.782 5.587 1.00 0.00 C ATOM 207 CZ PHE A 17 2.231 0.808 4.764 1.00 0.00 C ATOM 0 H PHE A 17 1.365 5.431 5.177 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.416 4.663 4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.245 4.216 7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.172 3.340 6.812 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.974 1.830 4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.389 3.512 6.775 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.446 0.079 3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.831 1.776 5.806 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.860 0.038 4.343 1.00 0.00 H new ATOM 217 N PRO A 18 -2.487 6.115 6.668 1.00 0.00 N ATOM 218 CA PRO A 18 -3.365 5.103 6.100 1.00 0.00 C ATOM 219 C PRO A 18 -3.787 5.448 4.681 1.00 0.00 C ATOM 220 O PRO A 18 -4.280 6.549 4.435 1.00 0.00 O ATOM 221 CB PRO A 18 -4.588 5.123 7.026 1.00 0.00 C ATOM 222 CG PRO A 18 -4.377 6.259 7.994 1.00 0.00 C ATOM 223 CD PRO A 18 -3.229 7.080 7.474 1.00 0.00 C ATOM 0 HA PRO A 18 -2.875 4.131 6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.505 5.267 6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.688 4.176 7.556 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.278 6.867 8.076 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.157 5.879 8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.573 7.926 6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.621 7.485 8.283 1.00 0.00 H new ATOM 231 N PHE A 19 -3.648 4.510 3.745 1.00 0.00 N ATOM 232 CA PHE A 19 -4.101 4.800 2.389 1.00 0.00 C ATOM 233 C PHE A 19 -5.558 4.441 2.351 1.00 0.00 C ATOM 234 O PHE A 19 -6.178 4.315 3.404 1.00 0.00 O ATOM 235 CB PHE A 19 -3.346 4.082 1.262 1.00 0.00 C ATOM 236 CG PHE A 19 -2.932 2.662 1.503 1.00 0.00 C ATOM 237 CD1 PHE A 19 -1.837 2.349 2.278 1.00 0.00 C ATOM 238 CD2 PHE A 19 -3.628 1.634 0.887 1.00 0.00 C ATOM 239 CE1 PHE A 19 -1.448 1.034 2.443 1.00 0.00 C ATOM 240 CE2 PHE A 19 -3.236 0.321 1.043 1.00 0.00 C ATOM 241 CZ PHE A 19 -2.147 0.020 1.825 1.00 0.00 C ATOM 0 H PHE A 19 -3.245 3.584 3.890 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.905 5.854 2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.973 4.103 0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.450 4.660 1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.279 3.138 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.489 1.864 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.592 0.800 3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.784 -0.469 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.840 -1.007 1.955 1.00 0.00 H new ATOM 251 N THR A 20 -6.153 4.291 1.195 1.00 0.00 N ATOM 252 CA THR A 20 -7.565 3.978 1.213 1.00 0.00 C ATOM 253 C THR A 20 -8.090 3.130 0.064 1.00 0.00 C ATOM 254 O THR A 20 -8.102 3.529 -1.096 1.00 0.00 O ATOM 255 CB THR A 20 -8.394 5.273 1.275 1.00 0.00 C ATOM 256 OG1 THR A 20 -7.869 6.173 2.241 1.00 0.00 O ATOM 257 CG2 THR A 20 -9.849 5.041 1.626 1.00 0.00 C ATOM 0 H THR A 20 -5.716 4.374 0.277 1.00 0.00 H new ATOM 0 HA THR A 20 -7.679 3.363 2.106 1.00 0.00 H new ATOM 0 HB THR A 20 -8.334 5.690 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.413 6.988 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.374 5.996 1.652 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.306 4.396 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.916 4.563 2.604 1.00 0.00 H new ATOM 265 N PHE A 21 -8.652 2.019 0.492 1.00 0.00 N ATOM 266 CA PHE A 21 -9.383 1.078 -0.287 1.00 0.00 C ATOM 267 C PHE A 21 -10.877 1.050 -0.189 1.00 0.00 C ATOM 268 O PHE A 21 -11.514 1.980 0.304 1.00 0.00 O ATOM 269 CB PHE A 21 -8.796 -0.318 -0.446 1.00 0.00 C ATOM 270 CG PHE A 21 -7.968 -0.631 -1.625 1.00 0.00 C ATOM 271 CD1 PHE A 21 -8.045 0.112 -2.776 1.00 0.00 C ATOM 272 CD2 PHE A 21 -7.407 -1.885 -1.685 1.00 0.00 C ATOM 273 CE1 PHE A 21 -7.545 -0.384 -3.958 1.00 0.00 C ATOM 274 CE2 PHE A 21 -6.873 -2.372 -2.844 1.00 0.00 C ATOM 275 CZ PHE A 21 -6.947 -1.626 -3.992 1.00 0.00 C ATOM 0 H PHE A 21 -8.597 1.742 1.472 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.199 1.589 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -8.193 -0.521 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -9.626 -1.024 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.500 1.091 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.388 -2.498 -0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.621 0.202 -4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.395 -3.340 -2.856 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.540 -2.008 -4.916 1.00 0.00 H new ATOM 285 N LEU A 22 -11.361 -0.013 -0.844 1.00 0.00 N ATOM 286 CA LEU A 22 -12.733 -0.378 -1.125 1.00 0.00 C ATOM 287 C LEU A 22 -13.621 -0.410 0.108 1.00 0.00 C ATOM 288 O LEU A 22 -14.412 -1.328 0.318 1.00 0.00 O ATOM 289 CB LEU A 22 -12.711 -1.738 -1.860 1.00 0.00 C ATOM 290 CG LEU A 22 -11.478 -2.029 -2.758 1.00 0.00 C ATOM 291 CD1 LEU A 22 -10.985 -0.809 -3.515 1.00 0.00 C ATOM 292 CD2 LEU A 22 -10.404 -2.673 -1.924 1.00 0.00 C ATOM 0 H LEU A 22 -10.720 -0.707 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.181 0.391 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.782 -2.529 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.605 -1.804 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.780 -2.724 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.122 -1.082 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.780 -0.436 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.698 -0.032 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.534 -2.881 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.118 -2.000 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.780 -3.606 -1.504 1.00 0.00 H new ATOM 304 N GLY A 23 -13.479 0.618 0.895 1.00 0.00 N ATOM 305 CA GLY A 23 -14.244 0.778 2.099 1.00 0.00 C ATOM 306 C GLY A 23 -13.393 0.812 3.349 1.00 0.00 C ATOM 307 O GLY A 23 -13.936 0.887 4.447 1.00 0.00 O ATOM 0 H GLY A 23 -12.822 1.377 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.820 1.701 2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.960 -0.040 2.178 1.00 0.00 H new ATOM 311 N ASN A 24 -12.065 0.725 3.221 1.00 0.00 N ATOM 312 CA ASN A 24 -11.217 0.712 4.391 1.00 0.00 C ATOM 313 C ASN A 24 -9.968 1.551 4.226 1.00 0.00 C ATOM 314 O ASN A 24 -9.278 1.454 3.211 1.00 0.00 O ATOM 315 CB ASN A 24 -10.794 -0.721 4.677 1.00 0.00 C ATOM 316 CG ASN A 24 -11.867 -1.750 4.365 1.00 0.00 C ATOM 317 OD1 ASN A 24 -12.859 -1.869 5.087 1.00 0.00 O ATOM 318 ND2 ASN A 24 -11.679 -2.499 3.290 1.00 0.00 N ATOM 0 H ASN A 24 -11.572 0.664 2.330 1.00 0.00 H new ATOM 0 HA ASN A 24 -11.796 1.137 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.903 -0.950 4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.517 -0.806 5.728 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.369 -3.205 3.034 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.844 -2.370 2.718 1.00 0.00 H new ATOM 325 N LYS A 25 -9.636 2.315 5.261 1.00 0.00 N ATOM 326 CA LYS A 25 -8.431 3.085 5.268 1.00 0.00 C ATOM 327 C LYS A 25 -7.323 2.117 5.643 1.00 0.00 C ATOM 328 O LYS A 25 -7.419 1.436 6.664 1.00 0.00 O ATOM 329 CB LYS A 25 -8.535 4.229 6.274 1.00 0.00 C ATOM 330 CG LYS A 25 -9.727 4.174 7.226 1.00 0.00 C ATOM 331 CD LYS A 25 -9.486 3.223 8.391 1.00 0.00 C ATOM 332 CE LYS A 25 -10.568 3.352 9.452 1.00 0.00 C ATOM 333 NZ LYS A 25 -11.926 3.092 8.906 1.00 0.00 N ATOM 0 H LYS A 25 -10.200 2.407 6.106 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.236 3.544 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.621 4.249 6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.578 5.169 5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.930 5.174 7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.614 3.857 6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.456 2.197 8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.513 3.431 8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.364 2.652 10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.536 4.354 9.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.618 3.091 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.174 3.836 8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.938 2.167 8.431 1.00 0.00 H new ATOM 347 N TYR A 26 -6.320 1.980 4.800 1.00 0.00 N ATOM 348 CA TYR A 26 -5.284 1.009 5.057 1.00 0.00 C ATOM 349 C TYR A 26 -4.079 1.606 5.754 1.00 0.00 C ATOM 350 O TYR A 26 -3.208 2.225 5.148 1.00 0.00 O ATOM 351 CB TYR A 26 -4.939 0.295 3.762 1.00 0.00 C ATOM 352 CG TYR A 26 -6.094 -0.554 3.262 1.00 0.00 C ATOM 353 CD1 TYR A 26 -7.077 -0.984 4.141 1.00 0.00 C ATOM 354 CD2 TYR A 26 -6.189 -0.973 1.942 1.00 0.00 C ATOM 355 CE1 TYR A 26 -8.101 -1.790 3.737 1.00 0.00 C ATOM 356 CE2 TYR A 26 -7.223 -1.773 1.537 1.00 0.00 C ATOM 357 CZ TYR A 26 -8.173 -2.188 2.431 1.00 0.00 C ATOM 358 OH TYR A 26 -9.203 -2.996 2.011 1.00 0.00 O ATOM 0 H TYR A 26 -6.203 2.522 3.944 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.661 0.270 5.764 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.672 1.029 3.002 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.064 -0.336 3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.031 -0.672 5.174 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.440 -0.665 1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.850 -2.112 4.445 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.290 -2.079 0.504 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.103 -3.183 1.054 1.00 0.00 H new ATOM 368 N GLU A 27 -4.083 1.407 7.056 1.00 0.00 N ATOM 369 CA GLU A 27 -3.052 1.900 7.960 1.00 0.00 C ATOM 370 C GLU A 27 -1.796 1.037 7.910 1.00 0.00 C ATOM 371 O GLU A 27 -0.744 1.425 8.416 1.00 0.00 O ATOM 372 CB GLU A 27 -3.633 1.914 9.367 1.00 0.00 C ATOM 373 CG GLU A 27 -5.015 2.551 9.451 1.00 0.00 C ATOM 374 CD GLU A 27 -5.748 2.183 10.720 1.00 0.00 C ATOM 375 OE1 GLU A 27 -6.089 0.995 10.887 1.00 0.00 O ATOM 376 OE2 GLU A 27 -5.973 3.077 11.559 1.00 0.00 O ATOM 0 H GLU A 27 -4.820 0.886 7.531 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.754 2.904 7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.691 0.890 9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.953 2.453 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.915 3.635 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.607 2.240 8.590 1.00 0.00 H new ATOM 383 N SER A 28 -1.914 -0.118 7.296 1.00 0.00 N ATOM 384 CA SER A 28 -0.815 -1.034 7.143 1.00 0.00 C ATOM 385 C SER A 28 -0.876 -1.601 5.740 1.00 0.00 C ATOM 386 O SER A 28 -1.782 -1.247 4.979 1.00 0.00 O ATOM 387 CB SER A 28 -0.928 -2.147 8.172 1.00 0.00 C ATOM 388 OG SER A 28 -2.253 -2.649 8.240 1.00 0.00 O ATOM 0 H SER A 28 -2.787 -0.448 6.885 1.00 0.00 H new ATOM 0 HA SER A 28 0.136 -0.525 7.298 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.243 -2.955 7.915 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.627 -1.773 9.151 1.00 0.00 H new ATOM 0 HG SER A 28 -2.298 -3.365 8.908 1.00 0.00 H new ATOM 394 N CYS A 29 0.047 -2.477 5.378 1.00 0.00 N ATOM 395 CA CYS A 29 0.000 -3.055 4.052 1.00 0.00 C ATOM 396 C CYS A 29 -1.265 -3.893 3.915 1.00 0.00 C ATOM 397 O CYS A 29 -1.901 -4.259 4.909 1.00 0.00 O ATOM 398 CB CYS A 29 1.223 -3.912 3.756 1.00 0.00 C ATOM 399 SG CYS A 29 2.800 -2.997 3.745 1.00 0.00 S ATOM 0 H CYS A 29 0.817 -2.795 5.967 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.006 -2.239 3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.283 -4.707 4.500 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.089 -4.392 2.787 1.00 0.00 H new ATOM 404 N THR A 30 -1.624 -4.199 2.693 1.00 0.00 N ATOM 405 CA THR A 30 -2.817 -4.989 2.418 1.00 0.00 C ATOM 406 C THR A 30 -2.561 -5.899 1.231 1.00 0.00 C ATOM 407 O THR A 30 -1.571 -5.737 0.521 1.00 0.00 O ATOM 408 CB THR A 30 -4.016 -4.073 2.101 1.00 0.00 C ATOM 409 OG1 THR A 30 -5.192 -4.832 1.897 1.00 0.00 O ATOM 410 CG2 THR A 30 -3.793 -3.251 0.860 1.00 0.00 C ATOM 0 H THR A 30 -1.108 -3.914 1.861 1.00 0.00 H new ATOM 0 HA THR A 30 -3.049 -5.583 3.302 1.00 0.00 H new ATOM 0 HB THR A 30 -4.123 -3.413 2.962 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.952 -4.228 1.765 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.665 -2.622 0.678 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.913 -2.622 0.994 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.639 -3.913 0.008 1.00 0.00 H new ATOM 418 N SER A 31 -3.481 -6.811 0.993 1.00 0.00 N ATOM 419 CA SER A 31 -3.398 -7.708 -0.141 1.00 0.00 C ATOM 420 C SER A 31 -4.664 -7.538 -0.975 1.00 0.00 C ATOM 421 O SER A 31 -4.993 -8.356 -1.837 1.00 0.00 O ATOM 422 CB SER A 31 -3.216 -9.154 0.330 1.00 0.00 C ATOM 423 OG SER A 31 -4.260 -9.545 1.210 1.00 0.00 O ATOM 0 H SER A 31 -4.305 -6.951 1.578 1.00 0.00 H new ATOM 0 HA SER A 31 -2.530 -7.467 -0.755 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.196 -9.820 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.255 -9.256 0.834 1.00 0.00 H new ATOM 0 HG SER A 31 -4.119 -10.473 1.493 1.00 0.00 H new ATOM 429 N ALA A 32 -5.358 -6.433 -0.690 1.00 0.00 N ATOM 430 CA ALA A 32 -6.597 -6.063 -1.367 1.00 0.00 C ATOM 431 C ALA A 32 -6.359 -5.779 -2.835 1.00 0.00 C ATOM 432 O ALA A 32 -5.297 -5.292 -3.212 1.00 0.00 O ATOM 433 CB ALA A 32 -7.189 -4.820 -0.714 1.00 0.00 C ATOM 0 H ALA A 32 -5.070 -5.765 0.025 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.288 -6.902 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.114 -4.547 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.399 -5.025 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.478 -3.997 -0.787 1.00 0.00 H new ATOM 439 N GLY A 33 -7.353 -6.076 -3.660 1.00 0.00 N ATOM 440 CA GLY A 33 -7.227 -5.832 -5.085 1.00 0.00 C ATOM 441 C GLY A 33 -6.330 -6.849 -5.762 1.00 0.00 C ATOM 442 O GLY A 33 -6.176 -6.833 -6.984 1.00 0.00 O ATOM 0 H GLY A 33 -8.243 -6.481 -3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.215 -5.858 -5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.826 -4.831 -5.247 1.00 0.00 H new ATOM 446 N ARG A 34 -5.728 -7.732 -4.968 1.00 0.00 N ATOM 447 CA ARG A 34 -4.837 -8.749 -5.490 1.00 0.00 C ATOM 448 C ARG A 34 -5.436 -10.140 -5.334 1.00 0.00 C ATOM 449 O ARG A 34 -5.714 -10.821 -6.323 1.00 0.00 O ATOM 450 CB ARG A 34 -3.502 -8.699 -4.758 1.00 0.00 C ATOM 451 CG ARG A 34 -2.828 -7.343 -4.787 1.00 0.00 C ATOM 452 CD ARG A 34 -1.317 -7.494 -4.698 1.00 0.00 C ATOM 453 NE ARG A 34 -0.803 -8.346 -5.764 1.00 0.00 N ATOM 454 CZ ARG A 34 -0.664 -7.942 -7.025 1.00 0.00 C ATOM 455 NH1 ARG A 34 -0.944 -6.684 -7.355 1.00 0.00 N ATOM 456 NH2 ARG A 34 -0.246 -8.793 -7.950 1.00 0.00 N ATOM 0 H ARG A 34 -5.847 -7.758 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.689 -8.548 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.658 -8.992 -3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.831 -9.435 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.093 -6.819 -5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.188 -6.734 -3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.848 -6.512 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.049 -7.918 -3.730 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.536 -9.302 -5.531 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.265 -6.029 -6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.838 -6.374 -8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.031 -9.757 -7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.139 -8.484 -8.916 1.00 0.00 H new ATOM 470 N SER A 35 -5.610 -10.548 -4.074 1.00 0.00 N ATOM 471 CA SER A 35 -6.161 -11.860 -3.721 1.00 0.00 C ATOM 472 C SER A 35 -5.189 -12.994 -4.057 1.00 0.00 C ATOM 473 O SER A 35 -5.565 -14.168 -4.051 1.00 0.00 O ATOM 474 CB SER A 35 -7.511 -12.092 -4.409 1.00 0.00 C ATOM 475 OG SER A 35 -8.454 -11.104 -4.020 1.00 0.00 O ATOM 0 H SER A 35 -5.371 -9.974 -3.265 1.00 0.00 H new ATOM 0 HA SER A 35 -6.315 -11.863 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.381 -12.070 -5.491 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.889 -13.082 -4.153 1.00 0.00 H new ATOM 0 HG SER A 35 -9.307 -11.270 -4.472 1.00 0.00 H new ATOM 481 N ASP A 36 -3.933 -12.644 -4.330 1.00 0.00 N ATOM 482 CA ASP A 36 -2.917 -13.638 -4.642 1.00 0.00 C ATOM 483 C ASP A 36 -2.141 -14.018 -3.395 1.00 0.00 C ATOM 484 O ASP A 36 -2.447 -15.009 -2.732 1.00 0.00 O ATOM 485 CB ASP A 36 -1.960 -13.147 -5.747 1.00 0.00 C ATOM 486 CG ASP A 36 -1.678 -11.658 -5.717 1.00 0.00 C ATOM 487 OD1 ASP A 36 -1.078 -11.176 -4.741 1.00 0.00 O ATOM 488 OD2 ASP A 36 -2.044 -10.970 -6.686 1.00 0.00 O ATOM 0 H ASP A 36 -3.599 -11.680 -4.341 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.429 -14.524 -5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.016 -13.685 -5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.383 -13.404 -6.718 1.00 0.00 H new ATOM 493 N GLY A 37 -1.150 -13.220 -3.079 1.00 0.00 N ATOM 494 CA GLY A 37 -0.335 -13.456 -1.915 1.00 0.00 C ATOM 495 C GLY A 37 0.558 -12.277 -1.587 1.00 0.00 C ATOM 496 O GLY A 37 0.808 -11.989 -0.415 1.00 0.00 O ATOM 0 H GLY A 37 -0.888 -12.395 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.978 -13.670 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.281 -14.340 -2.079 1.00 0.00 H new ATOM 500 N LYS A 38 1.041 -11.597 -2.621 1.00 0.00 N ATOM 501 CA LYS A 38 1.911 -10.452 -2.450 1.00 0.00 C ATOM 502 C LYS A 38 1.144 -9.274 -1.867 1.00 0.00 C ATOM 503 O LYS A 38 0.185 -8.790 -2.466 1.00 0.00 O ATOM 504 CB LYS A 38 2.507 -10.052 -3.798 1.00 0.00 C ATOM 505 CG LYS A 38 3.085 -11.214 -4.595 1.00 0.00 C ATOM 506 CD LYS A 38 2.031 -11.976 -5.386 1.00 0.00 C ATOM 507 CE LYS A 38 2.681 -13.000 -6.303 1.00 0.00 C ATOM 508 NZ LYS A 38 1.673 -13.808 -7.040 1.00 0.00 N ATOM 0 H LYS A 38 0.839 -11.827 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 38 2.709 -10.726 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.735 -9.566 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.292 -9.315 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.843 -10.835 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.587 -11.901 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.347 -12.477 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.437 -11.278 -5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.328 -12.489 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.316 -13.662 -5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.159 -14.493 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.072 -14.316 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.083 -13.180 -7.622 1.00 0.00 H new ATOM 522 N MET A 39 1.565 -8.804 -0.707 1.00 0.00 N ATOM 523 CA MET A 39 0.910 -7.677 -0.085 1.00 0.00 C ATOM 524 C MET A 39 1.591 -6.393 -0.527 1.00 0.00 C ATOM 525 O MET A 39 2.803 -6.361 -0.704 1.00 0.00 O ATOM 526 CB MET A 39 0.939 -7.817 1.434 1.00 0.00 C ATOM 527 CG MET A 39 0.329 -9.114 1.941 1.00 0.00 C ATOM 528 SD MET A 39 0.393 -9.248 3.738 1.00 0.00 S ATOM 529 CE MET A 39 -0.441 -10.815 3.987 1.00 0.00 C ATOM 0 H MET A 39 2.353 -9.185 -0.182 1.00 0.00 H new ATOM 0 HA MET A 39 -0.134 -7.647 -0.396 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.972 -7.754 1.776 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.405 -6.977 1.878 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.708 -9.178 1.611 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.857 -9.958 1.497 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.482 -11.040 5.053 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.454 -10.755 3.589 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.105 -11.604 3.471 1.00 0.00 H new ATOM 539 N TRP A 40 0.808 -5.350 -0.726 1.00 0.00 N ATOM 540 CA TRP A 40 1.326 -4.065 -1.176 1.00 0.00 C ATOM 541 C TRP A 40 0.961 -2.956 -0.196 1.00 0.00 C ATOM 542 O TRP A 40 0.429 -3.203 0.885 1.00 0.00 O ATOM 543 CB TRP A 40 0.727 -3.717 -2.545 1.00 0.00 C ATOM 544 CG TRP A 40 -0.769 -3.728 -2.500 1.00 0.00 C ATOM 545 CD1 TRP A 40 -1.584 -4.823 -2.426 1.00 0.00 C ATOM 546 CD2 TRP A 40 -1.633 -2.587 -2.440 1.00 0.00 C ATOM 547 NE1 TRP A 40 -2.887 -4.428 -2.332 1.00 0.00 N ATOM 548 CE2 TRP A 40 -2.941 -3.067 -2.334 1.00 0.00 C ATOM 549 CE3 TRP A 40 -1.428 -1.206 -2.462 1.00 0.00 C ATOM 550 CZ2 TRP A 40 -4.034 -2.232 -2.246 1.00 0.00 C ATOM 551 CZ3 TRP A 40 -2.529 -0.365 -2.372 1.00 0.00 C ATOM 552 CH2 TRP A 40 -3.825 -0.890 -2.260 1.00 0.00 C ATOM 0 H TRP A 40 -0.202 -5.365 -0.582 1.00 0.00 H new ATOM 0 HA TRP A 40 2.411 -4.145 -1.242 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.077 -2.733 -2.858 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.076 -4.432 -3.290 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -1.247 -5.849 -2.440 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.691 -5.052 -2.270 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.431 -0.799 -2.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.033 -2.635 -2.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.386 0.705 -2.388 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.667 -0.218 -2.184 1.00 0.00 H new ATOM 563 N CYS A 41 1.226 -1.736 -0.621 1.00 0.00 N ATOM 564 CA CYS A 41 0.922 -0.537 0.138 1.00 0.00 C ATOM 565 C CYS A 41 0.835 0.627 -0.837 1.00 0.00 C ATOM 566 O CYS A 41 1.679 0.759 -1.723 1.00 0.00 O ATOM 567 CB CYS A 41 1.999 -0.263 1.192 1.00 0.00 C ATOM 568 SG CYS A 41 3.696 -0.287 0.525 1.00 0.00 S ATOM 0 H CYS A 41 1.667 -1.546 -1.521 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.024 -0.667 0.664 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.810 0.709 1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.918 -1.008 1.984 1.00 0.00 H new ATOM 573 N ALA A 42 -0.183 1.458 -0.704 1.00 0.00 N ATOM 574 CA ALA A 42 -0.333 2.585 -1.611 1.00 0.00 C ATOM 575 C ALA A 42 0.707 3.638 -1.304 1.00 0.00 C ATOM 576 O ALA A 42 1.136 3.787 -0.160 1.00 0.00 O ATOM 577 CB ALA A 42 -1.724 3.182 -1.537 1.00 0.00 C ATOM 0 H ALA A 42 -0.907 1.378 0.010 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.186 2.219 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.797 4.021 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.460 2.424 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.917 3.530 -0.522 1.00 0.00 H new ATOM 583 N THR A 43 1.115 4.359 -2.325 1.00 0.00 N ATOM 584 CA THR A 43 2.112 5.390 -2.165 1.00 0.00 C ATOM 585 C THR A 43 1.453 6.765 -2.139 1.00 0.00 C ATOM 586 O THR A 43 2.116 7.799 -2.230 1.00 0.00 O ATOM 587 CB THR A 43 3.140 5.252 -3.283 1.00 0.00 C ATOM 588 OG1 THR A 43 2.535 5.404 -4.556 1.00 0.00 O ATOM 589 CG2 THR A 43 3.796 3.894 -3.268 1.00 0.00 C ATOM 0 H THR A 43 0.769 4.248 -3.278 1.00 0.00 H new ATOM 0 HA THR A 43 2.629 5.279 -1.212 1.00 0.00 H new ATOM 0 HB THR A 43 3.880 6.033 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.073 4.940 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.522 3.832 -4.078 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.303 3.745 -2.314 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.038 3.122 -3.400 1.00 0.00 H new ATOM 597 N THR A 44 0.135 6.745 -1.976 1.00 0.00 N ATOM 598 CA THR A 44 -0.673 7.947 -1.885 1.00 0.00 C ATOM 599 C THR A 44 -1.673 7.788 -0.746 1.00 0.00 C ATOM 600 O THR A 44 -2.115 6.670 -0.459 1.00 0.00 O ATOM 601 CB THR A 44 -1.408 8.213 -3.209 1.00 0.00 C ATOM 602 OG1 THR A 44 -2.083 7.050 -3.664 1.00 0.00 O ATOM 603 CG2 THR A 44 -0.501 8.680 -4.325 1.00 0.00 C ATOM 0 H THR A 44 -0.405 5.883 -1.903 1.00 0.00 H new ATOM 0 HA THR A 44 -0.024 8.800 -1.687 1.00 0.00 H new ATOM 0 HB THR A 44 -2.112 9.012 -2.978 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.051 7.182 -3.586 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.090 8.847 -5.227 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.013 9.610 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.255 7.920 -4.521 1.00 0.00 H new ATOM 611 N ALA A 45 -2.017 8.899 -0.096 1.00 0.00 N ATOM 612 CA ALA A 45 -2.966 8.877 1.019 1.00 0.00 C ATOM 613 C ALA A 45 -4.290 8.241 0.598 1.00 0.00 C ATOM 614 O ALA A 45 -4.908 7.503 1.364 1.00 0.00 O ATOM 615 CB ALA A 45 -3.201 10.281 1.555 1.00 0.00 C ATOM 0 H ALA A 45 -1.654 9.825 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.533 8.271 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.909 10.241 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.257 10.700 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.605 10.910 0.762 1.00 0.00 H new ATOM 621 N ASN A 46 -4.696 8.498 -0.638 1.00 0.00 N ATOM 622 CA ASN A 46 -5.909 7.915 -1.180 1.00 0.00 C ATOM 623 C ASN A 46 -5.527 7.088 -2.388 1.00 0.00 C ATOM 624 O ASN A 46 -4.997 7.610 -3.371 1.00 0.00 O ATOM 625 CB ASN A 46 -6.933 8.984 -1.574 1.00 0.00 C ATOM 626 CG ASN A 46 -8.288 8.390 -1.890 1.00 0.00 C ATOM 627 OD1 ASN A 46 -8.442 7.637 -2.850 1.00 0.00 O ATOM 628 ND2 ASN A 46 -9.274 8.717 -1.072 1.00 0.00 N ATOM 0 H ASN A 46 -4.198 9.110 -1.285 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.379 7.296 -0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.034 9.704 -0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.567 9.532 -2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.210 8.341 -1.225 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.099 9.346 -0.288 1.00 0.00 H new ATOM 635 N TYR A 47 -5.765 5.796 -2.304 1.00 0.00 N ATOM 636 CA TYR A 47 -5.414 4.897 -3.390 1.00 0.00 C ATOM 637 C TYR A 47 -6.536 4.799 -4.412 1.00 0.00 C ATOM 638 O TYR A 47 -6.273 4.826 -5.607 1.00 0.00 O ATOM 639 CB TYR A 47 -5.056 3.510 -2.870 1.00 0.00 C ATOM 640 CG TYR A 47 -4.532 2.618 -3.962 1.00 0.00 C ATOM 641 CD1 TYR A 47 -3.307 2.864 -4.562 1.00 0.00 C ATOM 642 CD2 TYR A 47 -5.275 1.551 -4.415 1.00 0.00 C ATOM 643 CE1 TYR A 47 -2.848 2.063 -5.586 1.00 0.00 C ATOM 644 CE2 TYR A 47 -4.821 0.742 -5.431 1.00 0.00 C ATOM 645 CZ TYR A 47 -3.614 1.000 -6.013 1.00 0.00 C ATOM 646 OH TYR A 47 -3.186 0.199 -7.042 1.00 0.00 O ATOM 0 H TYR A 47 -6.198 5.343 -1.499 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.536 5.317 -3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.306 3.600 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.937 3.053 -2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.704 3.694 -4.223 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.234 1.345 -3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.895 2.267 -6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.417 -0.094 -5.766 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.218 0.064 -6.970 1.00 0.00 H new ATOM 656 N ASP A 48 -7.779 4.678 -3.941 1.00 0.00 N ATOM 657 CA ASP A 48 -8.949 4.577 -4.824 1.00 0.00 C ATOM 658 C ASP A 48 -8.896 5.561 -6.001 1.00 0.00 C ATOM 659 O ASP A 48 -9.325 5.230 -7.109 1.00 0.00 O ATOM 660 CB ASP A 48 -10.231 4.834 -4.028 1.00 0.00 C ATOM 661 CG ASP A 48 -10.645 3.649 -3.188 1.00 0.00 C ATOM 662 OD1 ASP A 48 -9.998 2.588 -3.291 1.00 0.00 O ATOM 663 OD2 ASP A 48 -11.639 3.771 -2.446 1.00 0.00 O ATOM 0 H ASP A 48 -8.005 4.647 -2.947 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.941 3.566 -5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.084 5.699 -3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.037 5.085 -4.717 1.00 0.00 H new ATOM 668 N ASP A 49 -8.397 6.773 -5.752 1.00 0.00 N ATOM 669 CA ASP A 49 -8.323 7.803 -6.786 1.00 0.00 C ATOM 670 C ASP A 49 -6.997 7.797 -7.555 1.00 0.00 C ATOM 671 O ASP A 49 -6.970 7.515 -8.757 1.00 0.00 O ATOM 672 CB ASP A 49 -8.549 9.183 -6.161 1.00 0.00 C ATOM 673 CG ASP A 49 -9.986 9.408 -5.755 1.00 0.00 C ATOM 674 OD1 ASP A 49 -10.876 9.255 -6.613 1.00 0.00 O ATOM 675 OD2 ASP A 49 -10.228 9.744 -4.578 1.00 0.00 O ATOM 0 H ASP A 49 -8.038 7.064 -4.843 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.107 7.577 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.907 9.291 -5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.251 9.953 -6.873 1.00 0.00 H new ATOM 680 N ASP A 50 -5.911 8.155 -6.871 1.00 0.00 N ATOM 681 CA ASP A 50 -4.581 8.244 -7.494 1.00 0.00 C ATOM 682 C ASP A 50 -4.062 6.897 -8.000 1.00 0.00 C ATOM 683 O ASP A 50 -3.261 6.854 -8.936 1.00 0.00 O ATOM 684 CB ASP A 50 -3.569 8.842 -6.512 1.00 0.00 C ATOM 685 CG ASP A 50 -3.884 10.277 -6.144 1.00 0.00 C ATOM 686 OD1 ASP A 50 -4.906 10.514 -5.469 1.00 0.00 O ATOM 687 OD2 ASP A 50 -3.114 11.173 -6.538 1.00 0.00 O ATOM 0 H ASP A 50 -5.922 8.390 -5.879 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.695 8.895 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.547 8.236 -5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.572 8.795 -6.951 1.00 0.00 H new ATOM 692 N ARG A 51 -4.532 5.814 -7.390 1.00 0.00 N ATOM 693 CA ARG A 51 -4.155 4.450 -7.753 1.00 0.00 C ATOM 694 C ARG A 51 -2.664 4.251 -7.992 1.00 0.00 C ATOM 695 O ARG A 51 -2.248 3.680 -9.001 1.00 0.00 O ATOM 696 CB ARG A 51 -4.989 3.994 -8.931 1.00 0.00 C ATOM 697 CG ARG A 51 -6.456 4.075 -8.588 1.00 0.00 C ATOM 698 CD ARG A 51 -7.201 2.826 -8.984 1.00 0.00 C ATOM 699 NE ARG A 51 -7.328 2.681 -10.435 1.00 0.00 N ATOM 700 CZ ARG A 51 -8.067 3.486 -11.201 1.00 0.00 C ATOM 701 NH1 ARG A 51 -8.777 4.467 -10.644 1.00 0.00 N ATOM 702 NH2 ARG A 51 -8.107 3.305 -12.517 1.00 0.00 N ATOM 0 H ARG A 51 -5.196 5.859 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.369 3.819 -6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.776 4.616 -9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.726 2.971 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.569 4.239 -7.516 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.898 4.935 -9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.684 1.956 -8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.195 2.843 -8.536 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.822 1.920 -10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.755 4.602 -9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.342 5.083 -11.229 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.572 2.549 -12.944 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.673 3.922 -13.100 1.00 0.00 H new ATOM 716 N LYS A 52 -1.873 4.668 -7.013 1.00 0.00 N ATOM 717 CA LYS A 52 -0.432 4.486 -7.052 1.00 0.00 C ATOM 718 C LYS A 52 -0.040 3.586 -5.898 1.00 0.00 C ATOM 719 O LYS A 52 -0.272 3.907 -4.732 1.00 0.00 O ATOM 720 CB LYS A 52 0.302 5.824 -6.976 1.00 0.00 C ATOM 721 CG LYS A 52 0.104 6.694 -8.207 1.00 0.00 C ATOM 722 CD LYS A 52 0.073 8.164 -7.840 1.00 0.00 C ATOM 723 CE LYS A 52 -0.042 9.048 -9.072 1.00 0.00 C ATOM 724 NZ LYS A 52 1.160 8.951 -9.941 1.00 0.00 N ATOM 0 H LYS A 52 -2.212 5.139 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.147 4.027 -7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.042 6.369 -6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.367 5.638 -6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.909 6.511 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.827 6.421 -8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.769 8.355 -7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.979 8.421 -7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.926 8.762 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.183 10.084 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.153 9.729 -10.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.017 9.015 -9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.152 8.041 -10.445 1.00 0.00 H new ATOM 738 N TRP A 53 0.473 2.425 -6.235 1.00 0.00 N ATOM 739 CA TRP A 53 0.810 1.430 -5.244 1.00 0.00 C ATOM 740 C TRP A 53 2.218 0.891 -5.409 1.00 0.00 C ATOM 741 O TRP A 53 2.925 1.198 -6.368 1.00 0.00 O ATOM 742 CB TRP A 53 -0.187 0.285 -5.365 1.00 0.00 C ATOM 743 CG TRP A 53 -0.132 -0.399 -6.692 1.00 0.00 C ATOM 744 CD1 TRP A 53 -0.531 0.063 -7.915 1.00 0.00 C ATOM 745 CD2 TRP A 53 0.392 -1.678 -6.904 1.00 0.00 C ATOM 746 NE1 TRP A 53 -0.296 -0.896 -8.871 1.00 0.00 N ATOM 747 CE2 TRP A 53 0.280 -1.981 -8.267 1.00 0.00 C ATOM 748 CE3 TRP A 53 0.939 -2.591 -6.041 1.00 0.00 C ATOM 749 CZ2 TRP A 53 0.710 -3.196 -8.791 1.00 0.00 C ATOM 750 CZ3 TRP A 53 1.373 -3.800 -6.547 1.00 0.00 C ATOM 751 CH2 TRP A 53 1.256 -4.094 -7.916 1.00 0.00 C ATOM 0 H TRP A 53 0.667 2.145 -7.196 1.00 0.00 H new ATOM 0 HA TRP A 53 0.765 1.900 -4.262 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.008 -0.444 -4.578 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -1.194 0.669 -5.202 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.965 1.034 -8.102 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.514 -0.813 -9.864 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.029 -2.370 -4.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.617 -3.420 -9.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.809 -4.530 -5.881 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.604 -5.048 -8.284 1.00 0.00 H new ATOM 762 N GLY A 54 2.579 0.060 -4.456 1.00 0.00 N ATOM 763 CA GLY A 54 3.864 -0.588 -4.427 1.00 0.00 C ATOM 764 C GLY A 54 3.821 -1.728 -3.446 1.00 0.00 C ATOM 765 O GLY A 54 3.168 -1.618 -2.417 1.00 0.00 O ATOM 0 H GLY A 54 1.977 -0.185 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.121 -0.957 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.638 0.125 -4.141 1.00 0.00 H new ATOM 769 N PHE A 55 4.481 -2.828 -3.755 1.00 0.00 N ATOM 770 CA PHE A 55 4.473 -3.981 -2.870 1.00 0.00 C ATOM 771 C PHE A 55 5.064 -3.630 -1.511 1.00 0.00 C ATOM 772 O PHE A 55 5.944 -2.772 -1.405 1.00 0.00 O ATOM 773 CB PHE A 55 5.214 -5.142 -3.521 1.00 0.00 C ATOM 774 CG PHE A 55 4.373 -5.905 -4.507 1.00 0.00 C ATOM 775 CD1 PHE A 55 2.988 -5.845 -4.462 1.00 0.00 C ATOM 776 CD2 PHE A 55 4.973 -6.698 -5.468 1.00 0.00 C ATOM 777 CE1 PHE A 55 2.223 -6.562 -5.363 1.00 0.00 C ATOM 778 CE2 PHE A 55 4.214 -7.415 -6.369 1.00 0.00 C ATOM 779 CZ PHE A 55 2.839 -7.348 -6.317 1.00 0.00 C ATOM 0 H PHE A 55 5.028 -2.949 -4.608 1.00 0.00 H new ATOM 0 HA PHE A 55 3.441 -4.288 -2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.100 -4.760 -4.028 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.560 -5.824 -2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.503 -5.233 -3.716 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.050 -6.757 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.145 -6.508 -5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.697 -8.029 -7.115 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.243 -7.910 -7.022 1.00 0.00 H new ATOM 789 N CYS A 56 4.538 -4.282 -0.482 1.00 0.00 N ATOM 790 CA CYS A 56 4.956 -4.051 0.896 1.00 0.00 C ATOM 791 C CYS A 56 6.449 -4.293 1.066 1.00 0.00 C ATOM 792 O CYS A 56 6.978 -5.302 0.594 1.00 0.00 O ATOM 793 CB CYS A 56 4.167 -4.959 1.846 1.00 0.00 C ATOM 794 SG CYS A 56 4.214 -4.449 3.599 1.00 0.00 S ATOM 0 H CYS A 56 3.808 -4.988 -0.579 1.00 0.00 H new ATOM 0 HA CYS A 56 4.750 -3.009 1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.128 -4.990 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.557 -5.974 1.766 1.00 0.00 H new ATOM 799 N PRO A 57 7.144 -3.368 1.750 1.00 0.00 N ATOM 800 CA PRO A 57 8.584 -3.469 1.999 1.00 0.00 C ATOM 801 C PRO A 57 8.923 -4.517 3.048 1.00 0.00 C ATOM 802 O PRO A 57 8.311 -5.586 3.109 1.00 0.00 O ATOM 803 CB PRO A 57 8.934 -2.065 2.487 1.00 0.00 C ATOM 804 CG PRO A 57 7.716 -1.653 3.205 1.00 0.00 C ATOM 805 CD PRO A 57 6.582 -2.138 2.350 1.00 0.00 C ATOM 0 HA PRO A 57 9.142 -3.784 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.806 -2.070 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.161 -1.394 1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.676 -2.094 4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.680 -0.571 3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.688 -2.344 2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.303 -1.407 1.592 1.00 0.00 H new ATOM 813 N ASP A 58 9.904 -4.195 3.862 1.00 0.00 N ATOM 814 CA ASP A 58 10.346 -5.086 4.926 1.00 0.00 C ATOM 815 C ASP A 58 9.215 -5.303 5.932 1.00 0.00 C ATOM 816 O ASP A 58 8.913 -4.420 6.741 1.00 0.00 O ATOM 817 CB ASP A 58 11.566 -4.493 5.637 1.00 0.00 C ATOM 818 CG ASP A 58 12.224 -5.474 6.578 1.00 0.00 C ATOM 819 OD1 ASP A 58 11.848 -6.663 6.564 1.00 0.00 O ATOM 820 OD2 ASP A 58 13.136 -5.063 7.318 1.00 0.00 O ATOM 0 H ASP A 58 10.418 -3.316 3.811 1.00 0.00 H new ATOM 0 HA ASP A 58 10.622 -6.045 4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.292 -4.166 4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.262 -3.608 6.196 1.00 0.00 H new ATOM 825 N GLN A 59 8.586 -6.475 5.877 1.00 0.00 N ATOM 826 CA GLN A 59 7.491 -6.795 6.786 1.00 0.00 C ATOM 827 C GLN A 59 8.030 -7.225 8.143 1.00 0.00 C ATOM 828 O GLN A 59 8.477 -8.362 8.313 1.00 0.00 O ATOM 829 CB GLN A 59 6.608 -7.902 6.211 1.00 0.00 C ATOM 830 CG GLN A 59 5.831 -7.483 4.980 1.00 0.00 C ATOM 831 CD GLN A 59 4.839 -8.538 4.543 1.00 0.00 C ATOM 832 OE1 GLN A 59 4.003 -8.984 5.333 1.00 0.00 O ATOM 833 NE2 GLN A 59 4.920 -8.945 3.288 1.00 0.00 N ATOM 0 H GLN A 59 8.816 -7.216 5.214 1.00 0.00 H new ATOM 0 HA GLN A 59 6.889 -5.895 6.909 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.232 -8.760 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.907 -8.231 6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.302 -6.553 5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.526 -7.281 4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.627 -8.549 2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.276 -9.655 2.939 1.00 0.00 H new ATOM 842 N GLY A 60 7.989 -6.310 9.101 1.00 0.00 N ATOM 843 CA GLY A 60 8.473 -6.598 10.434 1.00 0.00 C ATOM 844 C GLY A 60 7.900 -5.643 11.457 1.00 0.00 C ATOM 845 O GLY A 60 7.733 -6.047 12.621 1.00 0.00 O ATOM 0 H GLY A 60 7.625 -5.365 8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.209 -7.621 10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.561 -6.535 10.447 1.00 0.00 H new TER 849 GLY A 60