USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 963 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 66 ASN : amide:sc= -1.42 K(o=-1.6,f=-4.3!) USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= -0.204 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 67 LYS NZ :NH3+ -166:sc=-0.00594 (180deg=-0.139) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.091 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -110:sc= -0.398 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -133:sc=-0.00154 (180deg=-0.282) USER MOD Single : A 29 ASN : amide:sc= -6.91! C(o=-6.9!,f=-9.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.355 F(o=-0.94,f=-0.36) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0503 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 150:sc= 0.371 USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.014 (180deg=-0.105) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 34:sc= 0.147 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 73 ASN : amide:sc= -1.63 K(o=-1.6,f=-6.6!) USER MOD Single : A 75 THR OG1 : rot -45:sc= 0.638 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 52:sc= 0.146 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0446 X(o=-0.045,f=-0.26) USER MOD Single : A 99 ASN :FLIP amide:sc= -4.29! C(o=-5.2!,f=-4.3!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -2.8! C(o=-2.8!,f=-5.3!) USER MOD Single : A 116 ASN : amide:sc= -0.107 X(o=-0.11,f=-4.4e-05) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.797 K(o=-0.8,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.950 -8.702 14.866 1.00 0.00 N ATOM 2 CA GLY A 1 -0.640 -8.253 16.211 1.00 0.00 C ATOM 3 C GLY A 1 -1.252 -6.903 16.527 1.00 0.00 C ATOM 4 O GLY A 1 -1.984 -6.340 15.713 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.280 -9.688 14.896 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.696 -8.100 14.462 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.097 -8.640 14.274 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.001 -8.989 16.929 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.442 -8.195 16.331 1.00 0.00 H new ATOM 8 N SER A 2 -0.955 -6.383 17.714 1.00 0.00 N ATOM 9 CA SER A 2 -1.486 -5.093 18.138 1.00 0.00 C ATOM 10 C SER A 2 -0.679 -3.948 17.533 1.00 0.00 C ATOM 11 O SER A 2 0.544 -4.027 17.422 1.00 0.00 O ATOM 12 CB SER A 2 -1.474 -4.990 19.664 1.00 0.00 C ATOM 13 OG SER A 2 -0.159 -4.783 20.151 1.00 0.00 O ATOM 0 H SER A 2 -0.349 -6.835 18.399 1.00 0.00 H new ATOM 0 HA SER A 2 -2.514 -5.017 17.784 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.116 -4.168 19.981 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.886 -5.902 20.096 1.00 0.00 H new ATOM 0 HG SER A 2 -0.179 -4.719 21.129 1.00 0.00 H new ATOM 19 N SER A 3 -1.374 -2.884 17.144 1.00 0.00 N ATOM 20 CA SER A 3 -0.724 -1.724 16.546 1.00 0.00 C ATOM 21 C SER A 3 -1.249 -0.430 17.162 1.00 0.00 C ATOM 22 O SER A 3 -2.157 -0.449 17.992 1.00 0.00 O ATOM 23 CB SER A 3 -0.948 -1.710 15.033 1.00 0.00 C ATOM 24 OG SER A 3 -2.281 -1.347 14.719 1.00 0.00 O ATOM 0 H SER A 3 -2.387 -2.801 17.232 1.00 0.00 H new ATOM 0 HA SER A 3 0.345 -1.794 16.746 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.257 -1.008 14.566 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.729 -2.695 14.621 1.00 0.00 H new ATOM 0 HG SER A 3 -2.399 -1.344 13.746 1.00 0.00 H new ATOM 30 N GLY A 4 -0.670 0.693 16.748 1.00 0.00 N ATOM 31 CA GLY A 4 -1.092 1.980 17.268 1.00 0.00 C ATOM 32 C GLY A 4 -1.931 2.760 16.275 1.00 0.00 C ATOM 33 O GLY A 4 -1.790 2.590 15.064 1.00 0.00 O ATOM 0 H GLY A 4 0.084 0.734 16.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.665 1.829 18.183 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.213 2.566 17.536 1.00 0.00 H new ATOM 37 N SER A 5 -2.809 3.616 16.789 1.00 0.00 N ATOM 38 CA SER A 5 -3.679 4.421 15.939 1.00 0.00 C ATOM 39 C SER A 5 -3.803 5.842 16.479 1.00 0.00 C ATOM 40 O SER A 5 -3.299 6.154 17.558 1.00 0.00 O ATOM 41 CB SER A 5 -5.064 3.779 15.838 1.00 0.00 C ATOM 42 OG SER A 5 -5.759 4.244 14.694 1.00 0.00 O ATOM 0 H SER A 5 -2.937 3.770 17.789 1.00 0.00 H new ATOM 0 HA SER A 5 -3.234 4.466 14.945 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.963 2.695 15.790 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.640 4.006 16.735 1.00 0.00 H new ATOM 0 HG SER A 5 -6.640 3.818 14.651 1.00 0.00 H new ATOM 48 N SER A 6 -4.476 6.700 15.720 1.00 0.00 N ATOM 49 CA SER A 6 -4.663 8.090 16.119 1.00 0.00 C ATOM 50 C SER A 6 -3.342 8.852 16.073 1.00 0.00 C ATOM 51 O SER A 6 -2.942 9.482 17.050 1.00 0.00 O ATOM 52 CB SER A 6 -5.258 8.163 17.527 1.00 0.00 C ATOM 53 OG SER A 6 -5.757 9.460 17.804 1.00 0.00 O ATOM 0 H SER A 6 -4.901 6.457 14.825 1.00 0.00 H new ATOM 0 HA SER A 6 -5.354 8.554 15.415 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.061 7.433 17.624 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.497 7.899 18.261 1.00 0.00 H new ATOM 0 HG SER A 6 -6.133 9.480 18.709 1.00 0.00 H new ATOM 59 N GLY A 7 -2.669 8.787 14.928 1.00 0.00 N ATOM 60 CA GLY A 7 -1.400 9.474 14.774 1.00 0.00 C ATOM 61 C GLY A 7 -1.485 10.940 15.151 1.00 0.00 C ATOM 62 O GLY A 7 -0.624 11.454 15.865 1.00 0.00 O ATOM 0 H GLY A 7 -2.980 8.271 14.105 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.648 8.986 15.394 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.066 9.387 13.740 1.00 0.00 H new ATOM 66 N GLN A 8 -2.523 11.614 14.668 1.00 0.00 N ATOM 67 CA GLN A 8 -2.715 13.031 14.957 1.00 0.00 C ATOM 68 C GLN A 8 -1.508 13.847 14.506 1.00 0.00 C ATOM 69 O GLN A 8 -1.064 14.758 15.204 1.00 0.00 O ATOM 70 CB GLN A 8 -2.955 13.240 16.453 1.00 0.00 C ATOM 71 CG GLN A 8 -4.330 12.787 16.917 1.00 0.00 C ATOM 72 CD GLN A 8 -4.739 13.418 18.234 1.00 0.00 C ATOM 73 OE1 GLN A 8 -3.920 13.578 19.139 1.00 0.00 O ATOM 74 NE2 GLN A 8 -6.011 13.781 18.348 1.00 0.00 N ATOM 0 H GLN A 8 -3.244 11.203 14.075 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.590 13.373 14.404 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.194 12.697 17.014 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.831 14.297 16.688 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.067 13.037 16.154 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.335 11.702 17.021 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.656 13.630 17.572 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.343 14.211 19.211 1.00 0.00 H new ATOM 83 N LYS A 9 -0.980 13.513 13.333 1.00 0.00 N ATOM 84 CA LYS A 9 0.176 14.214 12.786 1.00 0.00 C ATOM 85 C LYS A 9 -0.238 15.133 11.640 1.00 0.00 C ATOM 86 O LYS A 9 -1.137 14.807 10.866 1.00 0.00 O ATOM 87 CB LYS A 9 1.223 13.211 12.297 1.00 0.00 C ATOM 88 CG LYS A 9 2.032 12.582 13.418 1.00 0.00 C ATOM 89 CD LYS A 9 3.179 11.745 12.876 1.00 0.00 C ATOM 90 CE LYS A 9 2.686 10.415 12.326 1.00 0.00 C ATOM 91 NZ LYS A 9 3.809 9.566 11.839 1.00 0.00 N ATOM 0 H LYS A 9 -1.335 12.761 12.743 1.00 0.00 H new ATOM 0 HA LYS A 9 0.609 14.823 13.579 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.724 12.423 11.734 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.902 13.714 11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.426 13.364 14.067 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.382 11.957 14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.694 12.297 12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.906 11.566 13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.138 9.882 13.103 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.987 10.596 11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.432 8.669 11.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.317 10.064 11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.463 9.372 12.624 1.00 0.00 H new ATOM 105 N ARG A 10 0.426 16.280 11.539 1.00 0.00 N ATOM 106 CA ARG A 10 0.128 17.244 10.487 1.00 0.00 C ATOM 107 C ARG A 10 0.801 16.846 9.177 1.00 0.00 C ATOM 108 O ARG A 10 1.431 17.671 8.516 1.00 0.00 O ATOM 109 CB ARG A 10 0.586 18.643 10.904 1.00 0.00 C ATOM 110 CG ARG A 10 2.083 18.746 11.146 1.00 0.00 C ATOM 111 CD ARG A 10 2.571 20.180 11.011 1.00 0.00 C ATOM 112 NE ARG A 10 2.462 20.916 12.268 1.00 0.00 N ATOM 113 CZ ARG A 10 3.047 22.088 12.486 1.00 0.00 C ATOM 114 NH1 ARG A 10 3.780 22.655 11.537 1.00 0.00 N ATOM 115 NH2 ARG A 10 2.901 22.696 13.656 1.00 0.00 N ATOM 0 H ARG A 10 1.173 16.564 12.172 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.951 17.253 10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.302 19.355 10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.059 18.933 11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.318 18.373 12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.612 18.112 10.435 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.610 20.180 10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.991 20.689 10.241 1.00 0.00 H new ATOM 0 HE ARG A 10 1.906 20.507 13.019 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.896 22.191 10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.228 23.555 11.708 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.339 22.263 14.389 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.351 23.596 13.823 1.00 0.00 H new ATOM 129 N ALA A 11 0.662 15.577 8.809 1.00 0.00 N ATOM 130 CA ALA A 11 1.255 15.069 7.577 1.00 0.00 C ATOM 131 C ALA A 11 0.263 14.206 6.805 1.00 0.00 C ATOM 132 O ALA A 11 -0.779 13.819 7.333 1.00 0.00 O ATOM 133 CB ALA A 11 2.518 14.278 7.886 1.00 0.00 C ATOM 0 H ALA A 11 0.144 14.881 9.346 1.00 0.00 H new ATOM 0 HA ALA A 11 1.518 15.922 6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.950 13.905 6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.238 14.924 8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.271 13.438 8.535 1.00 0.00 H new ATOM 139 N TRP A 12 0.594 13.908 5.554 1.00 0.00 N ATOM 140 CA TRP A 12 -0.269 13.091 4.709 1.00 0.00 C ATOM 141 C TRP A 12 -0.401 11.679 5.270 1.00 0.00 C ATOM 142 O TRP A 12 0.488 11.194 5.971 1.00 0.00 O ATOM 143 CB TRP A 12 0.282 13.037 3.283 1.00 0.00 C ATOM 144 CG TRP A 12 1.523 12.207 3.157 1.00 0.00 C ATOM 145 CD1 TRP A 12 2.404 11.892 4.153 1.00 0.00 C ATOM 146 CD2 TRP A 12 2.023 11.587 1.967 1.00 0.00 C ATOM 147 NE1 TRP A 12 3.420 11.114 3.653 1.00 0.00 N ATOM 148 CE2 TRP A 12 3.209 10.913 2.315 1.00 0.00 C ATOM 149 CE3 TRP A 12 1.582 11.535 0.642 1.00 0.00 C ATOM 150 CZ2 TRP A 12 3.959 10.198 1.384 1.00 0.00 C ATOM 151 CZ3 TRP A 12 2.327 10.825 -0.281 1.00 0.00 C ATOM 152 CH2 TRP A 12 3.504 10.164 0.094 1.00 0.00 C ATOM 0 H TRP A 12 1.454 14.220 5.102 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.258 13.549 4.692 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -0.484 12.635 2.620 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.496 14.051 2.945 1.00 0.00 H new ATOM 0 HD1 TRP A 12 2.315 12.208 5.182 1.00 0.00 H new ATOM 0 HE1 TRP A 12 4.204 10.746 4.191 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.675 12.041 0.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 4.867 9.689 1.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 1.996 10.779 -1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.063 9.617 -0.650 1.00 0.00 H new ATOM 163 N ILE A 13 -1.515 11.025 4.959 1.00 0.00 N ATOM 164 CA ILE A 13 -1.761 9.668 5.431 1.00 0.00 C ATOM 165 C ILE A 13 -1.953 8.706 4.264 1.00 0.00 C ATOM 166 O ILE A 13 -2.211 9.125 3.135 1.00 0.00 O ATOM 167 CB ILE A 13 -3.000 9.606 6.343 1.00 0.00 C ATOM 168 CG1 ILE A 13 -4.237 10.109 5.595 1.00 0.00 C ATOM 169 CG2 ILE A 13 -2.770 10.422 7.606 1.00 0.00 C ATOM 170 CD1 ILE A 13 -5.536 9.832 6.319 1.00 0.00 C ATOM 0 H ILE A 13 -2.262 11.413 4.382 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.883 9.369 6.004 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.169 8.568 6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.142 11.183 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.272 9.641 4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.655 10.368 8.240 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.912 10.022 8.146 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.578 11.461 7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.369 10.216 5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.654 8.757 6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.522 10.323 7.292 1.00 0.00 H new ATOM 182 N THR A 14 -1.828 7.412 4.544 1.00 0.00 N ATOM 183 CA THR A 14 -1.989 6.389 3.518 1.00 0.00 C ATOM 184 C THR A 14 -2.981 5.319 3.960 1.00 0.00 C ATOM 185 O THR A 14 -3.136 5.057 5.152 1.00 0.00 O ATOM 186 CB THR A 14 -0.645 5.718 3.179 1.00 0.00 C ATOM 187 OG1 THR A 14 0.395 6.702 3.128 1.00 0.00 O ATOM 188 CG2 THR A 14 -0.725 4.989 1.846 1.00 0.00 C ATOM 0 H THR A 14 -1.616 7.048 5.473 1.00 0.00 H new ATOM 0 HA THR A 14 -2.371 6.890 2.629 1.00 0.00 H new ATOM 0 HB THR A 14 -0.420 4.992 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.690 6.819 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.236 4.523 1.628 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.497 4.221 1.897 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.971 5.700 1.057 1.00 0.00 H new ATOM 196 N ALA A 15 -3.650 4.703 2.991 1.00 0.00 N ATOM 197 CA ALA A 15 -4.625 3.659 3.280 1.00 0.00 C ATOM 198 C ALA A 15 -3.935 2.342 3.617 1.00 0.00 C ATOM 199 O ALA A 15 -2.901 1.991 3.048 1.00 0.00 O ATOM 200 CB ALA A 15 -5.568 3.476 2.100 1.00 0.00 C ATOM 0 H ALA A 15 -3.534 4.909 1.999 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.205 3.968 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.291 2.693 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.095 4.411 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.995 3.193 1.217 1.00 0.00 H new ATOM 206 N PRO A 16 -4.518 1.593 4.565 1.00 0.00 N ATOM 207 CA PRO A 16 -3.975 0.303 5.000 1.00 0.00 C ATOM 208 C PRO A 16 -4.112 -0.774 3.928 1.00 0.00 C ATOM 209 O PRO A 16 -4.917 -0.647 3.006 1.00 0.00 O ATOM 210 CB PRO A 16 -4.829 -0.048 6.221 1.00 0.00 C ATOM 211 CG PRO A 16 -6.111 0.681 6.009 1.00 0.00 C ATOM 212 CD PRO A 16 -5.752 1.949 5.286 1.00 0.00 C ATOM 0 HA PRO A 16 -2.907 0.361 5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.992 -1.123 6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.344 0.264 7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.808 0.082 5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.598 0.898 6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.542 2.259 4.602 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.589 2.774 5.979 1.00 0.00 H new ATOM 220 N VAL A 17 -3.320 -1.834 4.057 1.00 0.00 N ATOM 221 CA VAL A 17 -3.354 -2.933 3.100 1.00 0.00 C ATOM 222 C VAL A 17 -3.388 -4.281 3.812 1.00 0.00 C ATOM 223 O VAL A 17 -2.470 -4.625 4.555 1.00 0.00 O ATOM 224 CB VAL A 17 -2.136 -2.895 2.157 1.00 0.00 C ATOM 225 CG1 VAL A 17 -2.195 -4.043 1.161 1.00 0.00 C ATOM 226 CG2 VAL A 17 -2.063 -1.557 1.437 1.00 0.00 C ATOM 0 H VAL A 17 -2.648 -1.955 4.814 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.264 -2.812 2.512 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.232 -3.011 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.327 -3.999 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.196 -4.991 1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.105 -3.962 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.197 -1.547 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.970 -1.409 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.970 -0.755 2.169 1.00 0.00 H new ATOM 236 N ALA A 18 -4.454 -5.040 3.580 1.00 0.00 N ATOM 237 CA ALA A 18 -4.608 -6.351 4.197 1.00 0.00 C ATOM 238 C ALA A 18 -5.035 -7.395 3.171 1.00 0.00 C ATOM 239 O ALA A 18 -6.223 -7.552 2.888 1.00 0.00 O ATOM 240 CB ALA A 18 -5.616 -6.284 5.335 1.00 0.00 C ATOM 0 H ALA A 18 -5.224 -4.769 2.969 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.641 -6.651 4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.721 -7.270 5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.269 -5.576 6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.581 -5.958 4.947 1.00 0.00 H new ATOM 246 N LEU A 19 -4.059 -8.105 2.615 1.00 0.00 N ATOM 247 CA LEU A 19 -4.334 -9.134 1.618 1.00 0.00 C ATOM 248 C LEU A 19 -4.487 -10.502 2.276 1.00 0.00 C ATOM 249 O LEU A 19 -3.797 -10.816 3.246 1.00 0.00 O ATOM 250 CB LEU A 19 -3.212 -9.177 0.579 1.00 0.00 C ATOM 251 CG LEU A 19 -3.036 -7.919 -0.272 1.00 0.00 C ATOM 252 CD1 LEU A 19 -1.719 -7.967 -1.030 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.203 -7.760 -1.236 1.00 0.00 C ATOM 0 H LEU A 19 -3.071 -7.987 2.838 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.271 -8.884 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.273 -9.376 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.394 -10.020 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.018 -7.054 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.611 -7.063 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.893 -8.032 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.707 -8.840 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.061 -6.860 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.253 -8.628 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.132 -7.679 -0.672 1.00 0.00 H new ATOM 265 N ARG A 20 -5.393 -11.312 1.740 1.00 0.00 N ATOM 266 CA ARG A 20 -5.636 -12.647 2.274 1.00 0.00 C ATOM 267 C ARG A 20 -4.924 -13.705 1.437 1.00 0.00 C ATOM 268 O ARG A 20 -5.406 -14.098 0.375 1.00 0.00 O ATOM 269 CB ARG A 20 -7.137 -12.938 2.313 1.00 0.00 C ATOM 270 CG ARG A 20 -7.476 -14.317 2.857 1.00 0.00 C ATOM 271 CD ARG A 20 -8.957 -14.440 3.179 1.00 0.00 C ATOM 272 NE ARG A 20 -9.735 -14.870 2.020 1.00 0.00 N ATOM 273 CZ ARG A 20 -9.896 -16.142 1.674 1.00 0.00 C ATOM 274 NH1 ARG A 20 -9.336 -17.105 2.394 1.00 0.00 N ATOM 275 NH2 ARG A 20 -10.618 -16.454 0.605 1.00 0.00 N ATOM 0 H ARG A 20 -5.971 -11.068 0.936 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.239 -12.683 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.629 -12.183 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.543 -12.844 1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.197 -15.076 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.890 -14.509 3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.093 -15.153 3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.332 -13.479 3.531 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.179 -14.154 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.780 -16.869 3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.462 -18.081 2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.050 -15.716 0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.741 -17.431 0.340 1.00 0.00 H new ATOM 289 N GLU A 21 -3.773 -14.161 1.923 1.00 0.00 N ATOM 290 CA GLU A 21 -2.994 -15.172 1.218 1.00 0.00 C ATOM 291 C GLU A 21 -3.879 -16.338 0.788 1.00 0.00 C ATOM 292 O GLU A 21 -5.033 -16.442 1.201 1.00 0.00 O ATOM 293 CB GLU A 21 -1.856 -15.681 2.105 1.00 0.00 C ATOM 294 CG GLU A 21 -2.330 -16.521 3.279 1.00 0.00 C ATOM 295 CD GLU A 21 -2.533 -17.978 2.910 1.00 0.00 C ATOM 296 OE1 GLU A 21 -1.533 -18.724 2.866 1.00 0.00 O ATOM 297 OE2 GLU A 21 -3.693 -18.371 2.667 1.00 0.00 O ATOM 0 H GLU A 21 -3.360 -13.846 2.801 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.571 -14.711 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.171 -16.273 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.292 -14.828 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.602 -16.453 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.266 -16.112 3.659 1.00 0.00 H new ATOM 304 N GLY A 22 -3.329 -17.215 -0.047 1.00 0.00 N ATOM 305 CA GLY A 22 -4.082 -18.362 -0.521 1.00 0.00 C ATOM 306 C GLY A 22 -4.200 -18.394 -2.032 1.00 0.00 C ATOM 307 O GLY A 22 -3.396 -19.033 -2.710 1.00 0.00 O ATOM 0 H GLY A 22 -2.375 -17.152 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.599 -19.277 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.080 -18.344 -0.082 1.00 0.00 H new ATOM 311 N GLU A 23 -5.206 -17.704 -2.560 1.00 0.00 N ATOM 312 CA GLU A 23 -5.428 -17.659 -4.000 1.00 0.00 C ATOM 313 C GLU A 23 -4.977 -16.320 -4.578 1.00 0.00 C ATOM 314 O GLU A 23 -4.979 -15.301 -3.887 1.00 0.00 O ATOM 315 CB GLU A 23 -6.906 -17.893 -4.319 1.00 0.00 C ATOM 316 CG GLU A 23 -7.189 -18.066 -5.802 1.00 0.00 C ATOM 317 CD GLU A 23 -6.660 -19.378 -6.348 1.00 0.00 C ATOM 318 OE1 GLU A 23 -6.983 -20.436 -5.767 1.00 0.00 O ATOM 319 OE2 GLU A 23 -5.923 -19.347 -7.356 1.00 0.00 O ATOM 0 H GLU A 23 -5.880 -17.169 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.836 -18.451 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.248 -18.781 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.488 -17.052 -3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.265 -18.014 -5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.739 -17.240 -6.353 1.00 0.00 H new ATOM 326 N ASP A 24 -4.591 -16.331 -5.850 1.00 0.00 N ATOM 327 CA ASP A 24 -4.139 -15.119 -6.522 1.00 0.00 C ATOM 328 C ASP A 24 -4.998 -13.923 -6.124 1.00 0.00 C ATOM 329 O ASP A 24 -6.178 -14.073 -5.801 1.00 0.00 O ATOM 330 CB ASP A 24 -4.177 -15.307 -8.039 1.00 0.00 C ATOM 331 CG ASP A 24 -3.409 -14.228 -8.776 1.00 0.00 C ATOM 332 OD1 ASP A 24 -3.968 -13.127 -8.965 1.00 0.00 O ATOM 333 OD2 ASP A 24 -2.250 -14.483 -9.164 1.00 0.00 O ATOM 0 H ASP A 24 -4.582 -17.166 -6.436 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.112 -14.924 -6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.761 -16.282 -8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.213 -15.306 -8.376 1.00 0.00 H new ATOM 338 N LEU A 25 -4.400 -12.738 -6.147 1.00 0.00 N ATOM 339 CA LEU A 25 -5.110 -11.515 -5.787 1.00 0.00 C ATOM 340 C LEU A 25 -4.914 -10.439 -6.849 1.00 0.00 C ATOM 341 O LEU A 25 -4.642 -9.281 -6.531 1.00 0.00 O ATOM 342 CB LEU A 25 -4.627 -11.002 -4.429 1.00 0.00 C ATOM 343 CG LEU A 25 -4.795 -11.962 -3.250 1.00 0.00 C ATOM 344 CD1 LEU A 25 -4.111 -11.408 -2.010 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.269 -12.220 -2.979 1.00 0.00 C ATOM 0 H LEU A 25 -3.425 -12.597 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.173 -11.747 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.571 -10.745 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.162 -10.080 -4.200 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.323 -12.910 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.241 -12.104 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.048 -11.276 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.554 -10.447 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.370 -12.905 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.766 -11.279 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.730 -12.661 -3.863 1.00 0.00 H new ATOM 357 N SER A 26 -5.055 -10.828 -8.112 1.00 0.00 N ATOM 358 CA SER A 26 -4.892 -9.897 -9.222 1.00 0.00 C ATOM 359 C SER A 26 -5.948 -8.797 -9.168 1.00 0.00 C ATOM 360 O SER A 26 -5.627 -7.609 -9.192 1.00 0.00 O ATOM 361 CB SER A 26 -4.980 -10.640 -10.556 1.00 0.00 C ATOM 362 OG SER A 26 -4.471 -9.848 -11.616 1.00 0.00 O ATOM 0 H SER A 26 -5.282 -11.782 -8.392 1.00 0.00 H new ATOM 0 HA SER A 26 -3.908 -9.436 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.420 -11.573 -10.494 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.017 -10.904 -10.761 1.00 0.00 H new ATOM 0 HG SER A 26 -4.537 -10.346 -12.457 1.00 0.00 H new ATOM 368 N LYS A 27 -7.212 -9.202 -9.096 1.00 0.00 N ATOM 369 CA LYS A 27 -8.318 -8.254 -9.038 1.00 0.00 C ATOM 370 C LYS A 27 -8.129 -7.268 -7.889 1.00 0.00 C ATOM 371 O LYS A 27 -8.301 -6.061 -8.059 1.00 0.00 O ATOM 372 CB LYS A 27 -9.645 -8.997 -8.873 1.00 0.00 C ATOM 373 CG LYS A 27 -10.853 -8.078 -8.806 1.00 0.00 C ATOM 374 CD LYS A 27 -11.376 -7.742 -10.192 1.00 0.00 C ATOM 375 CE LYS A 27 -12.162 -8.900 -10.787 1.00 0.00 C ATOM 376 NZ LYS A 27 -12.503 -8.663 -12.217 1.00 0.00 N ATOM 0 H LYS A 27 -7.496 -10.182 -9.076 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.335 -7.696 -9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.771 -9.688 -9.706 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.605 -9.597 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.642 -8.555 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.584 -7.159 -8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.012 -6.859 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.541 -7.493 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.579 -9.817 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.078 -9.049 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.038 -9.475 -12.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.081 -7.802 -12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.629 -8.546 -12.768 1.00 0.00 H new ATOM 390 N LYS A 28 -7.773 -7.790 -6.720 1.00 0.00 N ATOM 391 CA LYS A 28 -7.557 -6.956 -5.544 1.00 0.00 C ATOM 392 C LYS A 28 -6.863 -5.651 -5.921 1.00 0.00 C ATOM 393 O LYS A 28 -7.300 -4.569 -5.532 1.00 0.00 O ATOM 394 CB LYS A 28 -6.723 -7.709 -4.505 1.00 0.00 C ATOM 395 CG LYS A 28 -7.484 -8.820 -3.804 1.00 0.00 C ATOM 396 CD LYS A 28 -8.567 -8.266 -2.894 1.00 0.00 C ATOM 397 CE LYS A 28 -9.087 -9.327 -1.936 1.00 0.00 C ATOM 398 NZ LYS A 28 -8.107 -9.628 -0.856 1.00 0.00 N ATOM 0 H LYS A 28 -7.628 -8.787 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.530 -6.718 -5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.846 -8.133 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.361 -7.001 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.934 -9.479 -4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.791 -9.425 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.171 -7.424 -2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.391 -7.884 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.023 -8.988 -1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.308 -10.239 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.009 -10.658 -0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.184 -9.215 -1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.442 -9.221 0.040 1.00 0.00 H new ATOM 412 N ASN A 29 -5.779 -5.762 -6.682 1.00 0.00 N ATOM 413 CA ASN A 29 -5.024 -4.591 -7.113 1.00 0.00 C ATOM 414 C ASN A 29 -5.889 -3.671 -7.970 1.00 0.00 C ATOM 415 O ASN A 29 -6.816 -4.108 -8.652 1.00 0.00 O ATOM 416 CB ASN A 29 -3.782 -5.019 -7.898 1.00 0.00 C ATOM 417 CG ASN A 29 -4.124 -5.548 -9.277 1.00 0.00 C ATOM 418 OD1 ASN A 29 -5.005 -5.020 -9.956 1.00 0.00 O ATOM 419 ND2 ASN A 29 -3.426 -6.597 -9.698 1.00 0.00 N ATOM 0 H ASN A 29 -5.404 -6.651 -7.013 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.712 -4.043 -6.224 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.106 -4.169 -7.995 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.249 -5.788 -7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.611 -6.997 -10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.705 -7.002 -9.101 1.00 0.00 H new ATOM 426 N PRO A 30 -5.580 -2.367 -7.935 1.00 0.00 N ATOM 427 CA PRO A 30 -4.479 -1.835 -7.126 1.00 0.00 C ATOM 428 C PRO A 30 -4.772 -1.906 -5.631 1.00 0.00 C ATOM 429 O PRO A 30 -5.927 -2.025 -5.220 1.00 0.00 O ATOM 430 CB PRO A 30 -4.375 -0.378 -7.582 1.00 0.00 C ATOM 431 CG PRO A 30 -5.736 -0.041 -8.088 1.00 0.00 C ATOM 432 CD PRO A 30 -6.282 -1.310 -8.683 1.00 0.00 C ATOM 0 HA PRO A 30 -3.560 -2.405 -7.263 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.086 0.275 -6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.622 -0.260 -8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.375 0.318 -7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.690 0.752 -8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.363 -1.380 -8.559 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.080 -1.372 -9.752 1.00 0.00 H new ATOM 440 N ILE A 31 -3.720 -1.832 -4.823 1.00 0.00 N ATOM 441 CA ILE A 31 -3.866 -1.886 -3.374 1.00 0.00 C ATOM 442 C ILE A 31 -3.261 -0.651 -2.714 1.00 0.00 C ATOM 443 O ILE A 31 -3.754 -0.177 -1.690 1.00 0.00 O ATOM 444 CB ILE A 31 -3.200 -3.145 -2.788 1.00 0.00 C ATOM 445 CG1 ILE A 31 -1.715 -3.182 -3.158 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.907 -4.397 -3.283 1.00 0.00 C ATOM 447 CD1 ILE A 31 -0.940 -4.262 -2.436 1.00 0.00 C ATOM 0 H ILE A 31 -2.758 -1.735 -5.147 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.935 -1.920 -3.166 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.283 -3.111 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.620 -3.335 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.268 -2.213 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.425 -5.278 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.952 -4.371 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.852 -4.440 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.104 -4.230 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.004 -4.098 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.361 -5.237 -2.680 1.00 0.00 H new ATOM 459 N ALA A 32 -2.191 -0.133 -3.308 1.00 0.00 N ATOM 460 CA ALA A 32 -1.522 1.050 -2.781 1.00 0.00 C ATOM 461 C ALA A 32 -1.776 2.265 -3.666 1.00 0.00 C ATOM 462 O ALA A 32 -1.706 2.180 -4.892 1.00 0.00 O ATOM 463 CB ALA A 32 -0.028 0.795 -2.648 1.00 0.00 C ATOM 0 H ALA A 32 -1.769 -0.514 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.934 1.260 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.460 1.686 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.139 -0.041 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.389 0.556 -3.626 1.00 0.00 H new ATOM 469 N LYS A 33 -2.074 3.397 -3.037 1.00 0.00 N ATOM 470 CA LYS A 33 -2.339 4.632 -3.766 1.00 0.00 C ATOM 471 C LYS A 33 -1.722 5.829 -3.051 1.00 0.00 C ATOM 472 O LYS A 33 -2.213 6.261 -2.007 1.00 0.00 O ATOM 473 CB LYS A 33 -3.846 4.840 -3.926 1.00 0.00 C ATOM 474 CG LYS A 33 -4.448 4.065 -5.085 1.00 0.00 C ATOM 475 CD LYS A 33 -4.279 4.807 -6.400 1.00 0.00 C ATOM 476 CE LYS A 33 -4.758 3.972 -7.577 1.00 0.00 C ATOM 477 NZ LYS A 33 -6.242 3.850 -7.603 1.00 0.00 N ATOM 0 H LYS A 33 -2.138 3.485 -2.023 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.884 4.547 -4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.345 4.543 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.044 5.902 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.973 3.086 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.508 3.893 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.837 5.743 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.230 5.067 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.414 4.425 -8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.313 2.979 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.529 3.274 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.568 3.395 -6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.667 4.796 -7.681 1.00 0.00 H new ATOM 491 N ILE A 34 -0.645 6.362 -3.619 1.00 0.00 N ATOM 492 CA ILE A 34 0.036 7.511 -3.036 1.00 0.00 C ATOM 493 C ILE A 34 0.163 8.646 -4.047 1.00 0.00 C ATOM 494 O ILE A 34 1.195 9.313 -4.121 1.00 0.00 O ATOM 495 CB ILE A 34 1.439 7.135 -2.525 1.00 0.00 C ATOM 496 CG1 ILE A 34 2.304 6.621 -3.677 1.00 0.00 C ATOM 497 CG2 ILE A 34 1.339 6.090 -1.423 1.00 0.00 C ATOM 498 CD1 ILE A 34 3.775 6.529 -3.334 1.00 0.00 C ATOM 0 H ILE A 34 -0.226 6.016 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.571 7.843 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 34 1.910 8.027 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.947 5.636 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.180 7.280 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.339 5.834 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.755 6.490 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.852 5.196 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.327 6.157 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.148 7.517 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.911 5.847 -2.495 1.00 0.00 H new ATOM 510 N HIS A 35 -0.895 8.861 -4.822 1.00 0.00 N ATOM 511 CA HIS A 35 -0.903 9.917 -5.828 1.00 0.00 C ATOM 512 C HIS A 35 -0.661 11.280 -5.187 1.00 0.00 C ATOM 513 O HIS A 35 -1.487 11.769 -4.415 1.00 0.00 O ATOM 514 CB HIS A 35 -2.234 9.924 -6.581 1.00 0.00 C ATOM 515 CG HIS A 35 -3.427 9.757 -5.690 1.00 0.00 C ATOM 516 ND1 HIS A 35 -4.023 8.641 -5.209 1.00 0.00 N flip ATOM 517 CD2 HIS A 35 -4.149 10.821 -5.193 1.00 0.00 C flip ATOM 518 CE1 HIS A 35 -5.083 9.046 -4.437 1.00 0.00 C flip ATOM 519 NE2 HIS A 35 -5.138 10.366 -4.443 1.00 0.00 N flip ATOM 0 H HIS A 35 -1.757 8.318 -4.773 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.096 9.718 -6.533 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.328 10.862 -7.128 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.228 9.123 -7.320 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.940 11.863 -5.386 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.762 8.392 -3.910 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.826 10.937 -3.952 1.00 0.00 H new ATOM 528 N SER A 36 0.476 11.888 -5.510 1.00 0.00 N ATOM 529 CA SER A 36 0.829 13.192 -4.961 1.00 0.00 C ATOM 530 C SER A 36 -0.136 14.267 -5.453 1.00 0.00 C ATOM 531 O SER A 36 -0.778 14.112 -6.492 1.00 0.00 O ATOM 532 CB SER A 36 2.262 13.561 -5.348 1.00 0.00 C ATOM 533 OG SER A 36 2.560 14.898 -4.986 1.00 0.00 O ATOM 0 H SER A 36 1.169 11.498 -6.149 1.00 0.00 H new ATOM 0 HA SER A 36 0.758 13.133 -3.875 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.961 12.884 -4.857 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.396 13.433 -6.422 1.00 0.00 H new ATOM 0 HG SER A 36 3.482 15.109 -5.242 1.00 0.00 H new ATOM 539 N ASP A 37 -0.231 15.357 -4.700 1.00 0.00 N ATOM 540 CA ASP A 37 -1.115 16.460 -5.059 1.00 0.00 C ATOM 541 C ASP A 37 -0.621 17.165 -6.318 1.00 0.00 C ATOM 542 O ASP A 37 -1.325 17.222 -7.327 1.00 0.00 O ATOM 543 CB ASP A 37 -1.214 17.458 -3.904 1.00 0.00 C ATOM 544 CG ASP A 37 -1.754 16.826 -2.637 1.00 0.00 C ATOM 545 OD1 ASP A 37 -2.741 16.067 -2.726 1.00 0.00 O ATOM 546 OD2 ASP A 37 -1.190 17.092 -1.554 1.00 0.00 O ATOM 0 H ASP A 37 0.293 15.501 -3.837 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.105 16.050 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.228 17.878 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.860 18.286 -4.197 1.00 0.00 H new ATOM 551 N LEU A 38 0.592 17.703 -6.251 1.00 0.00 N ATOM 552 CA LEU A 38 1.180 18.407 -7.385 1.00 0.00 C ATOM 553 C LEU A 38 0.855 17.696 -8.695 1.00 0.00 C ATOM 554 O LEU A 38 0.504 18.333 -9.687 1.00 0.00 O ATOM 555 CB LEU A 38 2.696 18.515 -7.212 1.00 0.00 C ATOM 556 CG LEU A 38 3.188 19.616 -6.272 1.00 0.00 C ATOM 557 CD1 LEU A 38 4.585 19.297 -5.762 1.00 0.00 C ATOM 558 CD2 LEU A 38 3.170 20.965 -6.976 1.00 0.00 C ATOM 0 H LEU A 38 1.187 17.665 -5.424 1.00 0.00 H new ATOM 0 HA LEU A 38 0.752 19.409 -7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.069 17.559 -6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.143 18.676 -8.193 1.00 0.00 H new ATOM 0 HG LEU A 38 2.514 19.666 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.919 20.091 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.567 18.351 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.271 19.219 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.523 21.737 -6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.821 20.928 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.153 21.197 -7.291 1.00 0.00 H new ATOM 570 N ALA A 39 0.973 16.372 -8.689 1.00 0.00 N ATOM 571 CA ALA A 39 0.688 15.574 -9.875 1.00 0.00 C ATOM 572 C ALA A 39 -0.581 16.056 -10.568 1.00 0.00 C ATOM 573 O ALA A 39 -0.624 16.174 -11.792 1.00 0.00 O ATOM 574 CB ALA A 39 0.564 14.104 -9.505 1.00 0.00 C ATOM 0 H ALA A 39 1.264 15.830 -7.876 1.00 0.00 H new ATOM 0 HA ALA A 39 1.518 15.693 -10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.351 13.520 -10.400 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.498 13.760 -9.061 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.247 13.977 -8.788 1.00 0.00 H new ATOM 580 N GLU A 40 -1.614 16.333 -9.777 1.00 0.00 N ATOM 581 CA GLU A 40 -2.885 16.800 -10.317 1.00 0.00 C ATOM 582 C GLU A 40 -2.972 18.323 -10.262 1.00 0.00 C ATOM 583 O GLU A 40 -3.232 18.976 -11.272 1.00 0.00 O ATOM 584 CB GLU A 40 -4.051 16.183 -9.542 1.00 0.00 C ATOM 585 CG GLU A 40 -5.408 16.740 -9.939 1.00 0.00 C ATOM 586 CD GLU A 40 -5.948 16.112 -11.210 1.00 0.00 C ATOM 587 OE1 GLU A 40 -5.317 16.286 -12.273 1.00 0.00 O ATOM 588 OE2 GLU A 40 -7.001 15.445 -11.139 1.00 0.00 O ATOM 0 H GLU A 40 -1.595 16.242 -8.761 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.945 16.487 -11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.050 15.104 -9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.897 16.350 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.116 16.574 -9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.328 17.818 -10.077 1.00 0.00 H new ATOM 595 N GLU A 41 -2.754 18.880 -9.075 1.00 0.00 N ATOM 596 CA GLU A 41 -2.809 20.325 -8.889 1.00 0.00 C ATOM 597 C GLU A 41 -2.195 21.052 -10.082 1.00 0.00 C ATOM 598 O GLU A 41 -2.794 21.973 -10.637 1.00 0.00 O ATOM 599 CB GLU A 41 -2.080 20.724 -7.604 1.00 0.00 C ATOM 600 CG GLU A 41 -2.941 20.613 -6.356 1.00 0.00 C ATOM 601 CD GLU A 41 -4.290 21.285 -6.517 1.00 0.00 C ATOM 602 OE1 GLU A 41 -5.211 20.643 -7.064 1.00 0.00 O ATOM 603 OE2 GLU A 41 -4.426 22.453 -6.096 1.00 0.00 O ATOM 0 H GLU A 41 -2.538 18.353 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.857 20.615 -8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.199 20.093 -7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.726 21.750 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.090 19.561 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.414 21.062 -5.514 1.00 0.00 H new ATOM 610 N ARG A 42 -0.995 20.631 -10.469 1.00 0.00 N ATOM 611 CA ARG A 42 -0.298 21.242 -11.594 1.00 0.00 C ATOM 612 C ARG A 42 -0.423 20.378 -12.846 1.00 0.00 C ATOM 613 O ARG A 42 -0.996 20.800 -13.850 1.00 0.00 O ATOM 614 CB ARG A 42 1.178 21.454 -11.253 1.00 0.00 C ATOM 615 CG ARG A 42 1.457 22.768 -10.542 1.00 0.00 C ATOM 616 CD ARG A 42 2.924 23.155 -10.641 1.00 0.00 C ATOM 617 NE ARG A 42 3.178 24.482 -10.086 1.00 0.00 N ATOM 618 CZ ARG A 42 4.212 25.239 -10.437 1.00 0.00 C ATOM 619 NH1 ARG A 42 5.082 24.803 -11.337 1.00 0.00 N ATOM 620 NH2 ARG A 42 4.376 26.435 -9.887 1.00 0.00 N ATOM 0 H ARG A 42 -0.486 19.870 -10.020 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.760 22.209 -11.793 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.519 20.631 -10.624 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.763 21.417 -12.172 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.842 23.556 -10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.172 22.683 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.530 22.419 -10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.235 23.133 -11.685 1.00 0.00 H new ATOM 0 HE ARG A 42 2.526 24.847 -9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.959 23.884 -11.762 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.875 25.386 -11.604 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.708 26.774 -9.194 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.170 27.016 -10.157 1.00 0.00 H new ATOM 634 N GLY A 43 0.117 19.165 -12.778 1.00 0.00 N ATOM 635 CA GLY A 43 0.056 18.261 -13.912 1.00 0.00 C ATOM 636 C GLY A 43 1.408 17.668 -14.254 1.00 0.00 C ATOM 637 O GLY A 43 1.813 17.657 -15.418 1.00 0.00 O ATOM 0 H GLY A 43 0.596 18.792 -11.958 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.646 17.456 -13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.332 18.796 -14.779 1.00 0.00 H new ATOM 641 N LEU A 44 2.111 17.176 -13.240 1.00 0.00 N ATOM 642 CA LEU A 44 3.427 16.580 -13.439 1.00 0.00 C ATOM 643 C LEU A 44 3.360 15.061 -13.327 1.00 0.00 C ATOM 644 O LEU A 44 2.417 14.510 -12.757 1.00 0.00 O ATOM 645 CB LEU A 44 4.420 17.135 -12.415 1.00 0.00 C ATOM 646 CG LEU A 44 4.561 18.657 -12.374 1.00 0.00 C ATOM 647 CD1 LEU A 44 3.571 19.258 -11.388 1.00 0.00 C ATOM 648 CD2 LEU A 44 5.985 19.050 -12.009 1.00 0.00 C ATOM 0 H LEU A 44 1.791 17.178 -12.271 1.00 0.00 H new ATOM 0 HA LEU A 44 3.767 16.837 -14.442 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.121 16.791 -11.425 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.400 16.705 -12.619 1.00 0.00 H new ATOM 0 HG LEU A 44 4.339 19.051 -13.366 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.686 20.342 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.555 19.005 -11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.761 18.858 -10.392 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.068 20.137 -11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.234 18.645 -11.028 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.675 18.650 -12.753 1.00 0.00 H new ATOM 660 N LYS A 45 4.366 14.387 -13.873 1.00 0.00 N ATOM 661 CA LYS A 45 4.425 12.931 -13.833 1.00 0.00 C ATOM 662 C LYS A 45 5.342 12.454 -12.712 1.00 0.00 C ATOM 663 O LYS A 45 6.083 11.484 -12.874 1.00 0.00 O ATOM 664 CB LYS A 45 4.913 12.382 -15.175 1.00 0.00 C ATOM 665 CG LYS A 45 6.379 12.667 -15.451 1.00 0.00 C ATOM 666 CD LYS A 45 6.994 11.606 -16.349 1.00 0.00 C ATOM 667 CE LYS A 45 6.871 11.980 -17.818 1.00 0.00 C ATOM 668 NZ LYS A 45 7.434 10.926 -18.707 1.00 0.00 N ATOM 0 H LYS A 45 5.153 14.827 -14.349 1.00 0.00 H new ATOM 0 HA LYS A 45 3.420 12.557 -13.639 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.750 11.304 -15.198 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.311 12.813 -15.975 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.478 13.645 -15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.926 12.709 -14.509 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.045 11.475 -16.092 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.502 10.649 -16.174 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.822 12.141 -18.065 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.389 12.922 -17.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.331 11.218 -19.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.442 10.790 -18.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.923 10.033 -18.554 1.00 0.00 H new ATOM 682 N ILE A 46 5.287 13.140 -11.575 1.00 0.00 N ATOM 683 CA ILE A 46 6.112 12.784 -10.428 1.00 0.00 C ATOM 684 C ILE A 46 6.357 11.280 -10.372 1.00 0.00 C ATOM 685 O ILE A 46 5.505 10.485 -10.771 1.00 0.00 O ATOM 686 CB ILE A 46 5.463 13.237 -9.106 1.00 0.00 C ATOM 687 CG1 ILE A 46 5.048 14.707 -9.194 1.00 0.00 C ATOM 688 CG2 ILE A 46 6.420 13.019 -7.944 1.00 0.00 C ATOM 689 CD1 ILE A 46 3.579 14.903 -9.497 1.00 0.00 C ATOM 0 H ILE A 46 4.680 13.945 -11.424 1.00 0.00 H new ATOM 0 HA ILE A 46 7.064 13.300 -10.552 1.00 0.00 H new ATOM 0 HB ILE A 46 4.570 12.637 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.285 15.200 -8.251 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.639 15.197 -9.968 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.947 13.344 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.670 11.960 -7.872 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.330 13.596 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.356 15.969 -9.545 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.340 14.439 -10.454 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.981 14.442 -8.711 1.00 0.00 H new ATOM 701 N THR A 47 7.526 10.894 -9.872 1.00 0.00 N ATOM 702 CA THR A 47 7.884 9.486 -9.762 1.00 0.00 C ATOM 703 C THR A 47 8.276 9.127 -8.333 1.00 0.00 C ATOM 704 O THR A 47 9.063 9.831 -7.700 1.00 0.00 O ATOM 705 CB THR A 47 9.046 9.126 -10.707 1.00 0.00 C ATOM 706 OG1 THR A 47 8.792 9.647 -12.016 1.00 0.00 O ATOM 707 CG2 THR A 47 9.235 7.619 -10.783 1.00 0.00 C ATOM 0 H THR A 47 8.242 11.538 -9.536 1.00 0.00 H new ATOM 0 HA THR A 47 7.002 8.913 -10.048 1.00 0.00 H new ATOM 0 HB THR A 47 9.959 9.571 -10.310 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.536 9.415 -12.610 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.061 7.389 -11.456 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.458 7.230 -9.790 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.322 7.156 -11.158 1.00 0.00 H new ATOM 715 N TYR A 48 7.723 8.029 -7.831 1.00 0.00 N ATOM 716 CA TYR A 48 8.014 7.578 -6.476 1.00 0.00 C ATOM 717 C TYR A 48 8.921 6.351 -6.493 1.00 0.00 C ATOM 718 O TYR A 48 9.385 5.921 -7.549 1.00 0.00 O ATOM 719 CB TYR A 48 6.716 7.256 -5.733 1.00 0.00 C ATOM 720 CG TYR A 48 5.536 8.084 -6.190 1.00 0.00 C ATOM 721 CD1 TYR A 48 5.666 9.449 -6.414 1.00 0.00 C ATOM 722 CD2 TYR A 48 4.292 7.502 -6.395 1.00 0.00 C ATOM 723 CE1 TYR A 48 4.591 10.210 -6.831 1.00 0.00 C ATOM 724 CE2 TYR A 48 3.211 8.254 -6.813 1.00 0.00 C ATOM 725 CZ TYR A 48 3.366 9.608 -7.030 1.00 0.00 C ATOM 726 OH TYR A 48 2.291 10.361 -7.444 1.00 0.00 O ATOM 0 H TYR A 48 7.071 7.435 -8.342 1.00 0.00 H new ATOM 0 HA TYR A 48 8.532 8.384 -5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.482 6.200 -5.868 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.869 7.415 -4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.624 9.923 -6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.167 6.443 -6.225 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.709 11.270 -7.000 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.251 7.785 -6.969 1.00 0.00 H new ATOM 0 HH TYR A 48 1.686 9.803 -7.976 1.00 0.00 H new ATOM 736 N LYS A 49 9.169 5.790 -5.314 1.00 0.00 N ATOM 737 CA LYS A 49 10.018 4.612 -5.190 1.00 0.00 C ATOM 738 C LYS A 49 9.620 3.780 -3.975 1.00 0.00 C ATOM 739 O LYS A 49 9.081 4.305 -3.000 1.00 0.00 O ATOM 740 CB LYS A 49 11.487 5.026 -5.078 1.00 0.00 C ATOM 741 CG LYS A 49 12.453 3.998 -5.643 1.00 0.00 C ATOM 742 CD LYS A 49 13.847 4.579 -5.814 1.00 0.00 C ATOM 743 CE LYS A 49 14.677 4.418 -4.550 1.00 0.00 C ATOM 744 NZ LYS A 49 15.114 3.009 -4.350 1.00 0.00 N ATOM 0 H LYS A 49 8.793 6.133 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 49 9.885 4.004 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.630 5.972 -5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.728 5.201 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.496 3.135 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.085 3.642 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 49 14.349 4.084 -6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.773 5.636 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.552 5.065 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.094 4.743 -3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.849 2.974 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.301 2.432 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.498 2.635 -5.241 1.00 0.00 H new ATOM 758 N TYR A 50 9.889 2.481 -4.039 1.00 0.00 N ATOM 759 CA TYR A 50 9.558 1.576 -2.945 1.00 0.00 C ATOM 760 C TYR A 50 10.762 0.719 -2.563 1.00 0.00 C ATOM 761 O TYR A 50 11.326 0.012 -3.398 1.00 0.00 O ATOM 762 CB TYR A 50 8.383 0.679 -3.335 1.00 0.00 C ATOM 763 CG TYR A 50 7.033 1.337 -3.157 1.00 0.00 C ATOM 764 CD1 TYR A 50 6.593 2.314 -4.042 1.00 0.00 C ATOM 765 CD2 TYR A 50 6.199 0.984 -2.104 1.00 0.00 C ATOM 766 CE1 TYR A 50 5.361 2.919 -3.884 1.00 0.00 C ATOM 767 CE2 TYR A 50 4.965 1.582 -1.939 1.00 0.00 C ATOM 768 CZ TYR A 50 4.551 2.549 -2.831 1.00 0.00 C ATOM 769 OH TYR A 50 3.323 3.149 -2.668 1.00 0.00 O ATOM 0 H TYR A 50 10.336 2.031 -4.838 1.00 0.00 H new ATOM 0 HA TYR A 50 9.275 2.179 -2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.497 0.378 -4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.416 -0.230 -2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.225 2.605 -4.868 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.521 0.229 -1.402 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.034 3.677 -4.581 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.328 1.294 -1.116 1.00 0.00 H new ATOM 0 HH TYR A 50 2.878 2.774 -1.879 1.00 0.00 H new ATOM 779 N THR A 51 11.149 0.788 -1.293 1.00 0.00 N ATOM 780 CA THR A 51 12.285 0.020 -0.799 1.00 0.00 C ATOM 781 C THR A 51 11.873 -0.895 0.349 1.00 0.00 C ATOM 782 O THR A 51 11.213 -0.463 1.293 1.00 0.00 O ATOM 783 CB THR A 51 13.422 0.944 -0.321 1.00 0.00 C ATOM 784 OG1 THR A 51 12.960 1.776 0.749 1.00 0.00 O ATOM 785 CG2 THR A 51 13.931 1.811 -1.462 1.00 0.00 C ATOM 0 H THR A 51 10.693 1.367 -0.588 1.00 0.00 H new ATOM 0 HA THR A 51 12.644 -0.585 -1.632 1.00 0.00 H new ATOM 0 HB THR A 51 14.243 0.320 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.315 1.279 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 51 14.733 2.455 -1.100 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.309 1.174 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 51 13.116 2.426 -1.843 1.00 0.00 H new ATOM 793 N GLY A 52 12.267 -2.162 0.260 1.00 0.00 N ATOM 794 CA GLY A 52 11.929 -3.118 1.299 1.00 0.00 C ATOM 795 C GLY A 52 11.869 -4.541 0.780 1.00 0.00 C ATOM 796 O GLY A 52 12.131 -4.792 -0.397 1.00 0.00 O ATOM 0 H GLY A 52 12.814 -2.543 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.667 -3.057 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.965 -2.852 1.734 1.00 0.00 H new ATOM 800 N LYS A 53 11.526 -5.476 1.659 1.00 0.00 N ATOM 801 CA LYS A 53 11.434 -6.882 1.285 1.00 0.00 C ATOM 802 C LYS A 53 10.331 -7.099 0.253 1.00 0.00 C ATOM 803 O LYS A 53 9.153 -6.880 0.534 1.00 0.00 O ATOM 804 CB LYS A 53 11.167 -7.743 2.521 1.00 0.00 C ATOM 805 CG LYS A 53 11.257 -9.236 2.253 1.00 0.00 C ATOM 806 CD LYS A 53 10.718 -10.045 3.420 1.00 0.00 C ATOM 807 CE LYS A 53 11.746 -10.170 4.534 1.00 0.00 C ATOM 808 NZ LYS A 53 11.478 -11.346 5.408 1.00 0.00 N ATOM 0 H LYS A 53 11.307 -5.285 2.637 1.00 0.00 H new ATOM 0 HA LYS A 53 12.385 -7.178 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.883 -7.478 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.175 -7.511 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.696 -9.479 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.295 -9.511 2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.816 -9.571 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.432 -11.038 3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.742 -10.259 4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.741 -9.261 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.201 -11.396 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.538 -11.249 5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.508 -12.216 4.839 1.00 0.00 H new ATOM 822 N GLY A 54 10.721 -7.531 -0.942 1.00 0.00 N ATOM 823 CA GLY A 54 9.754 -7.772 -1.996 1.00 0.00 C ATOM 824 C GLY A 54 10.070 -6.999 -3.261 1.00 0.00 C ATOM 825 O GLY A 54 9.581 -7.335 -4.340 1.00 0.00 O ATOM 0 H GLY A 54 11.690 -7.718 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.726 -8.838 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.760 -7.495 -1.643 1.00 0.00 H new ATOM 829 N ILE A 55 10.889 -5.961 -3.129 1.00 0.00 N ATOM 830 CA ILE A 55 11.270 -5.139 -4.271 1.00 0.00 C ATOM 831 C ILE A 55 12.786 -5.049 -4.403 1.00 0.00 C ATOM 832 O ILE A 55 13.354 -5.401 -5.438 1.00 0.00 O ATOM 833 CB ILE A 55 10.690 -3.717 -4.159 1.00 0.00 C ATOM 834 CG1 ILE A 55 9.170 -3.774 -3.988 1.00 0.00 C ATOM 835 CG2 ILE A 55 11.060 -2.895 -5.385 1.00 0.00 C ATOM 836 CD1 ILE A 55 8.573 -2.489 -3.458 1.00 0.00 C ATOM 0 H ILE A 55 11.301 -5.669 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 55 10.859 -5.621 -5.158 1.00 0.00 H new ATOM 0 HB ILE A 55 11.118 -3.235 -3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.713 -4.008 -4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.919 -4.589 -3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.643 -1.893 -5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.145 -2.830 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.658 -3.373 -6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.493 -2.602 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.002 -2.264 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.793 -1.674 -4.148 1.00 0.00 H new ATOM 848 N THR A 56 13.439 -4.576 -3.345 1.00 0.00 N ATOM 849 CA THR A 56 14.891 -4.440 -3.342 1.00 0.00 C ATOM 850 C THR A 56 15.558 -5.688 -2.775 1.00 0.00 C ATOM 851 O THR A 56 16.628 -6.091 -3.230 1.00 0.00 O ATOM 852 CB THR A 56 15.338 -3.215 -2.522 1.00 0.00 C ATOM 853 OG1 THR A 56 14.857 -3.323 -1.177 1.00 0.00 O ATOM 854 CG2 THR A 56 14.823 -1.928 -3.148 1.00 0.00 C ATOM 0 H THR A 56 12.986 -4.281 -2.480 1.00 0.00 H new ATOM 0 HA THR A 56 15.199 -4.306 -4.379 1.00 0.00 H new ATOM 0 HB THR A 56 16.428 -3.187 -2.516 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.147 -2.541 -0.662 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.151 -1.077 -2.552 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.215 -1.834 -4.161 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.734 -1.950 -3.181 1.00 0.00 H new ATOM 862 N GLU A 57 14.919 -6.295 -1.780 1.00 0.00 N ATOM 863 CA GLU A 57 15.453 -7.498 -1.152 1.00 0.00 C ATOM 864 C GLU A 57 14.621 -8.722 -1.524 1.00 0.00 C ATOM 865 O GLU A 57 13.396 -8.661 -1.633 1.00 0.00 O ATOM 866 CB GLU A 57 15.486 -7.334 0.369 1.00 0.00 C ATOM 867 CG GLU A 57 16.526 -6.336 0.851 1.00 0.00 C ATOM 868 CD GLU A 57 17.922 -6.925 0.899 1.00 0.00 C ATOM 869 OE1 GLU A 57 18.248 -7.598 1.900 1.00 0.00 O ATOM 870 OE2 GLU A 57 18.689 -6.714 -0.063 1.00 0.00 O ATOM 0 H GLU A 57 14.032 -5.974 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 57 16.469 -7.646 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.502 -7.015 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.685 -8.303 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.524 -5.468 0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.251 -5.982 1.844 1.00 0.00 H new ATOM 877 N PRO A 58 15.301 -9.860 -1.725 1.00 0.00 N ATOM 878 CA PRO A 58 14.646 -11.120 -2.089 1.00 0.00 C ATOM 879 C PRO A 58 13.824 -11.698 -0.942 1.00 0.00 C ATOM 880 O PRO A 58 14.135 -11.507 0.234 1.00 0.00 O ATOM 881 CB PRO A 58 15.818 -12.045 -2.427 1.00 0.00 C ATOM 882 CG PRO A 58 16.969 -11.494 -1.658 1.00 0.00 C ATOM 883 CD PRO A 58 16.762 -10.005 -1.613 1.00 0.00 C ATOM 0 HA PRO A 58 13.939 -10.990 -2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.606 -13.075 -2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.023 -12.050 -3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 58 17.003 -11.914 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.915 -11.742 -2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.138 -9.575 -0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.279 -9.502 -2.430 1.00 0.00 H new ATOM 891 N PRO A 59 12.751 -12.424 -1.288 1.00 0.00 N ATOM 892 CA PRO A 59 12.371 -12.658 -2.684 1.00 0.00 C ATOM 893 C PRO A 59 11.859 -11.393 -3.366 1.00 0.00 C ATOM 894 O PRO A 59 11.015 -10.681 -2.821 1.00 0.00 O ATOM 895 CB PRO A 59 11.253 -13.698 -2.578 1.00 0.00 C ATOM 896 CG PRO A 59 10.679 -13.500 -1.218 1.00 0.00 C ATOM 897 CD PRO A 59 11.824 -13.070 -0.344 1.00 0.00 C ATOM 0 HA PRO A 59 13.218 -12.983 -3.288 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.499 -13.549 -3.351 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.640 -14.709 -2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.894 -12.744 -1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.229 -14.421 -0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.498 -12.380 0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.288 -13.920 0.157 1.00 0.00 H new ATOM 905 N PHE A 60 12.373 -11.121 -4.560 1.00 0.00 N ATOM 906 CA PHE A 60 11.968 -9.941 -5.316 1.00 0.00 C ATOM 907 C PHE A 60 10.992 -10.316 -6.428 1.00 0.00 C ATOM 908 O PHE A 60 10.850 -11.488 -6.775 1.00 0.00 O ATOM 909 CB PHE A 60 13.193 -9.245 -5.911 1.00 0.00 C ATOM 910 CG PHE A 60 14.299 -10.191 -6.282 1.00 0.00 C ATOM 911 CD1 PHE A 60 14.257 -10.892 -7.476 1.00 0.00 C ATOM 912 CD2 PHE A 60 15.381 -10.379 -5.437 1.00 0.00 C ATOM 913 CE1 PHE A 60 15.274 -11.763 -7.821 1.00 0.00 C ATOM 914 CE2 PHE A 60 16.400 -11.248 -5.776 1.00 0.00 C ATOM 915 CZ PHE A 60 16.346 -11.942 -6.969 1.00 0.00 C ATOM 0 H PHE A 60 13.071 -11.701 -5.026 1.00 0.00 H new ATOM 0 HA PHE A 60 11.467 -9.257 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.890 -8.688 -6.797 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.573 -8.519 -5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.420 -10.757 -8.145 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.428 -9.840 -4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 60 15.230 -12.303 -8.756 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.238 -11.385 -5.109 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.141 -12.623 -7.235 1.00 0.00 H new ATOM 925 N GLY A 61 10.321 -9.311 -6.983 1.00 0.00 N ATOM 926 CA GLY A 61 9.367 -9.555 -8.049 1.00 0.00 C ATOM 927 C GLY A 61 7.942 -9.649 -7.541 1.00 0.00 C ATOM 928 O GLY A 61 7.003 -9.254 -8.232 1.00 0.00 O ATOM 0 H GLY A 61 10.421 -8.332 -6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.435 -8.753 -8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.629 -10.481 -8.562 1.00 0.00 H new ATOM 932 N ILE A 62 7.780 -10.176 -6.331 1.00 0.00 N ATOM 933 CA ILE A 62 6.460 -10.321 -5.733 1.00 0.00 C ATOM 934 C ILE A 62 5.647 -9.038 -5.874 1.00 0.00 C ATOM 935 O ILE A 62 4.522 -9.055 -6.373 1.00 0.00 O ATOM 936 CB ILE A 62 6.555 -10.693 -4.241 1.00 0.00 C ATOM 937 CG1 ILE A 62 7.153 -12.092 -4.079 1.00 0.00 C ATOM 938 CG2 ILE A 62 5.184 -10.618 -3.587 1.00 0.00 C ATOM 939 CD1 ILE A 62 7.337 -12.507 -2.636 1.00 0.00 C ATOM 0 H ILE A 62 8.547 -10.509 -5.747 1.00 0.00 H new ATOM 0 HA ILE A 62 5.959 -11.127 -6.269 1.00 0.00 H new ATOM 0 HB ILE A 62 7.211 -9.978 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.506 -12.815 -4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.118 -12.127 -4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.269 -10.884 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.794 -9.604 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.506 -11.312 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.765 -13.509 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.008 -11.806 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.371 -12.505 -2.131 1.00 0.00 H new ATOM 951 N PHE A 63 6.226 -7.926 -5.433 1.00 0.00 N ATOM 952 CA PHE A 63 5.557 -6.633 -5.511 1.00 0.00 C ATOM 953 C PHE A 63 6.064 -5.829 -6.705 1.00 0.00 C ATOM 954 O PHE A 63 7.254 -5.846 -7.018 1.00 0.00 O ATOM 955 CB PHE A 63 5.776 -5.843 -4.219 1.00 0.00 C ATOM 956 CG PHE A 63 4.971 -6.355 -3.059 1.00 0.00 C ATOM 957 CD1 PHE A 63 3.600 -6.523 -3.171 1.00 0.00 C ATOM 958 CD2 PHE A 63 5.585 -6.669 -1.857 1.00 0.00 C ATOM 959 CE1 PHE A 63 2.857 -6.993 -2.104 1.00 0.00 C ATOM 960 CE2 PHE A 63 4.847 -7.140 -0.788 1.00 0.00 C ATOM 961 CZ PHE A 63 3.481 -7.303 -0.912 1.00 0.00 C ATOM 0 H PHE A 63 7.157 -7.895 -5.018 1.00 0.00 H new ATOM 0 HA PHE A 63 4.490 -6.811 -5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.834 -5.874 -3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.522 -4.798 -4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.107 -6.284 -4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.653 -6.544 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.789 -7.118 -2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.338 -7.380 0.144 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.902 -7.672 -0.078 1.00 0.00 H new ATOM 971 N VAL A 64 5.152 -5.126 -7.367 1.00 0.00 N ATOM 972 CA VAL A 64 5.505 -4.315 -8.526 1.00 0.00 C ATOM 973 C VAL A 64 4.818 -2.955 -8.476 1.00 0.00 C ATOM 974 O VAL A 64 3.683 -2.838 -8.014 1.00 0.00 O ATOM 975 CB VAL A 64 5.126 -5.021 -9.842 1.00 0.00 C ATOM 976 CG1 VAL A 64 5.936 -6.296 -10.017 1.00 0.00 C ATOM 977 CG2 VAL A 64 3.634 -5.318 -9.876 1.00 0.00 C ATOM 0 H VAL A 64 4.162 -5.101 -7.121 1.00 0.00 H new ATOM 0 HA VAL A 64 6.585 -4.174 -8.496 1.00 0.00 H new ATOM 0 HB VAL A 64 5.360 -4.354 -10.672 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.654 -6.781 -10.952 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.998 -6.052 -10.040 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.737 -6.971 -9.184 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.384 -5.817 -10.812 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.373 -5.965 -9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.075 -4.385 -9.801 1.00 0.00 H new ATOM 987 N PHE A 65 5.514 -1.929 -8.954 1.00 0.00 N ATOM 988 CA PHE A 65 4.971 -0.575 -8.963 1.00 0.00 C ATOM 989 C PHE A 65 5.455 0.197 -10.187 1.00 0.00 C ATOM 990 O PHE A 65 6.564 -0.021 -10.673 1.00 0.00 O ATOM 991 CB PHE A 65 5.373 0.167 -7.686 1.00 0.00 C ATOM 992 CG PHE A 65 6.807 0.616 -7.681 1.00 0.00 C ATOM 993 CD1 PHE A 65 7.232 1.630 -8.523 1.00 0.00 C ATOM 994 CD2 PHE A 65 7.728 0.023 -6.833 1.00 0.00 C ATOM 995 CE1 PHE A 65 8.550 2.046 -8.520 1.00 0.00 C ATOM 996 CE2 PHE A 65 9.048 0.435 -6.825 1.00 0.00 C ATOM 997 CZ PHE A 65 9.459 1.447 -7.670 1.00 0.00 C ATOM 0 H PHE A 65 6.455 -2.009 -9.340 1.00 0.00 H new ATOM 0 HA PHE A 65 3.884 -0.646 -9.007 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.728 1.037 -7.562 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.201 -0.483 -6.828 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.525 2.101 -9.190 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.412 -0.770 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.869 2.838 -9.181 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.757 -0.034 -6.159 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.490 1.770 -7.666 1.00 0.00 H new ATOM 1007 N ASN A 66 4.613 1.099 -10.680 1.00 0.00 N ATOM 1008 CA ASN A 66 4.953 1.903 -11.849 1.00 0.00 C ATOM 1009 C ASN A 66 5.357 3.316 -11.438 1.00 0.00 C ATOM 1010 O ASN A 66 5.250 3.690 -10.270 1.00 0.00 O ATOM 1011 CB ASN A 66 3.770 1.960 -12.817 1.00 0.00 C ATOM 1012 CG ASN A 66 4.155 2.531 -14.168 1.00 0.00 C ATOM 1013 OD1 ASN A 66 5.296 2.392 -14.610 1.00 0.00 O ATOM 1014 ND2 ASN A 66 3.203 3.177 -14.830 1.00 0.00 N ATOM 0 H ASN A 66 3.691 1.292 -10.289 1.00 0.00 H new ATOM 0 HA ASN A 66 5.800 1.432 -12.349 1.00 0.00 H new ATOM 0 HB2 ASN A 66 3.366 0.957 -12.952 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.977 2.568 -12.382 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.403 3.583 -15.744 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.271 3.268 -14.425 1.00 0.00 H new ATOM 1021 N LYS A 67 5.821 4.098 -12.407 1.00 0.00 N ATOM 1022 CA LYS A 67 6.239 5.471 -12.148 1.00 0.00 C ATOM 1023 C LYS A 67 5.239 6.464 -12.731 1.00 0.00 C ATOM 1024 O LYS A 67 5.114 7.589 -12.248 1.00 0.00 O ATOM 1025 CB LYS A 67 7.628 5.723 -12.741 1.00 0.00 C ATOM 1026 CG LYS A 67 7.715 5.437 -14.230 1.00 0.00 C ATOM 1027 CD LYS A 67 8.776 6.293 -14.901 1.00 0.00 C ATOM 1028 CE LYS A 67 8.248 7.682 -15.226 1.00 0.00 C ATOM 1029 NZ LYS A 67 7.304 7.661 -16.377 1.00 0.00 N ATOM 0 H LYS A 67 5.917 3.804 -13.379 1.00 0.00 H new ATOM 0 HA LYS A 67 6.279 5.614 -11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.907 6.761 -12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.355 5.103 -12.217 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.944 4.383 -14.386 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.747 5.625 -14.695 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.644 6.376 -14.248 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.112 5.807 -15.817 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.745 8.093 -14.351 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.083 8.344 -15.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.151 8.631 -16.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.704 7.083 -17.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.396 7.254 -16.074 1.00 0.00 H new ATOM 1043 N ASP A 68 4.528 6.039 -13.770 1.00 0.00 N ATOM 1044 CA ASP A 68 3.536 6.890 -14.417 1.00 0.00 C ATOM 1045 C ASP A 68 2.247 6.938 -13.602 1.00 0.00 C ATOM 1046 O ASP A 68 1.649 8.001 -13.428 1.00 0.00 O ATOM 1047 CB ASP A 68 3.242 6.384 -15.830 1.00 0.00 C ATOM 1048 CG ASP A 68 2.493 7.403 -16.666 1.00 0.00 C ATOM 1049 OD1 ASP A 68 2.852 8.598 -16.608 1.00 0.00 O ATOM 1050 OD2 ASP A 68 1.548 7.005 -17.379 1.00 0.00 O ATOM 0 H ASP A 68 4.620 5.110 -14.182 1.00 0.00 H new ATOM 0 HA ASP A 68 3.944 7.899 -14.479 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.180 6.131 -16.325 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.656 5.467 -15.770 1.00 0.00 H new ATOM 1055 N THR A 69 1.823 5.780 -13.105 1.00 0.00 N ATOM 1056 CA THR A 69 0.605 5.690 -12.311 1.00 0.00 C ATOM 1057 C THR A 69 0.911 5.790 -10.821 1.00 0.00 C ATOM 1058 O THR A 69 0.149 6.384 -10.059 1.00 0.00 O ATOM 1059 CB THR A 69 -0.146 4.373 -12.582 1.00 0.00 C ATOM 1060 OG1 THR A 69 0.664 3.258 -12.194 1.00 0.00 O ATOM 1061 CG2 THR A 69 -0.512 4.251 -14.054 1.00 0.00 C ATOM 0 H THR A 69 2.306 4.892 -13.239 1.00 0.00 H new ATOM 0 HA THR A 69 -0.027 6.528 -12.606 1.00 0.00 H new ATOM 0 HB THR A 69 -1.064 4.377 -11.994 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.178 2.425 -12.368 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.041 3.313 -14.221 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.153 5.085 -14.340 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.396 4.267 -14.657 1.00 0.00 H new ATOM 1069 N GLY A 70 2.032 5.204 -10.411 1.00 0.00 N ATOM 1070 CA GLY A 70 2.419 5.239 -9.013 1.00 0.00 C ATOM 1071 C GLY A 70 1.510 4.399 -8.138 1.00 0.00 C ATOM 1072 O GLY A 70 0.913 4.904 -7.188 1.00 0.00 O ATOM 0 H GLY A 70 2.679 4.706 -11.022 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.444 4.882 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.405 6.271 -8.661 1.00 0.00 H new ATOM 1076 N GLU A 71 1.403 3.114 -8.461 1.00 0.00 N ATOM 1077 CA GLU A 71 0.557 2.203 -7.698 1.00 0.00 C ATOM 1078 C GLU A 71 1.281 0.887 -7.427 1.00 0.00 C ATOM 1079 O GLU A 71 2.143 0.469 -8.200 1.00 0.00 O ATOM 1080 CB GLU A 71 -0.748 1.934 -8.449 1.00 0.00 C ATOM 1081 CG GLU A 71 -1.641 3.157 -8.576 1.00 0.00 C ATOM 1082 CD GLU A 71 -2.669 3.017 -9.682 1.00 0.00 C ATOM 1083 OE1 GLU A 71 -3.344 1.968 -9.735 1.00 0.00 O ATOM 1084 OE2 GLU A 71 -2.798 3.957 -10.495 1.00 0.00 O ATOM 0 H GLU A 71 1.891 2.680 -9.245 1.00 0.00 H new ATOM 0 HA GLU A 71 0.327 2.675 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.513 1.561 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.297 1.145 -7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.153 3.328 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.024 4.035 -8.768 1.00 0.00 H new ATOM 1091 N LEU A 72 0.925 0.240 -6.323 1.00 0.00 N ATOM 1092 CA LEU A 72 1.540 -1.028 -5.947 1.00 0.00 C ATOM 1093 C LEU A 72 0.593 -2.193 -6.216 1.00 0.00 C ATOM 1094 O LEU A 72 -0.624 -2.057 -6.097 1.00 0.00 O ATOM 1095 CB LEU A 72 1.935 -1.008 -4.470 1.00 0.00 C ATOM 1096 CG LEU A 72 2.966 -2.051 -4.037 1.00 0.00 C ATOM 1097 CD1 LEU A 72 4.378 -1.520 -4.234 1.00 0.00 C ATOM 1098 CD2 LEU A 72 2.743 -2.452 -2.586 1.00 0.00 C ATOM 0 H LEU A 72 0.213 0.573 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 72 2.435 -1.163 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.327 -0.019 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.034 -1.146 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 72 2.842 -2.936 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.098 -2.276 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.534 -1.284 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.515 -0.619 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.486 -3.195 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.839 -1.574 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.744 -2.875 -2.475 1.00 0.00 H new ATOM 1110 N ASN A 73 1.161 -3.339 -6.578 1.00 0.00 N ATOM 1111 CA ASN A 73 0.367 -4.529 -6.863 1.00 0.00 C ATOM 1112 C ASN A 73 1.089 -5.789 -6.395 1.00 0.00 C ATOM 1113 O ASN A 73 2.298 -5.775 -6.164 1.00 0.00 O ATOM 1114 CB ASN A 73 0.071 -4.624 -8.361 1.00 0.00 C ATOM 1115 CG ASN A 73 -0.351 -3.293 -8.952 1.00 0.00 C ATOM 1116 OD1 ASN A 73 -1.514 -2.899 -8.856 1.00 0.00 O ATOM 1117 ND2 ASN A 73 0.594 -2.593 -9.568 1.00 0.00 N ATOM 0 H ASN A 73 2.167 -3.469 -6.681 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.574 -4.447 -6.318 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.958 -4.985 -8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.717 -5.358 -8.527 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.369 -1.690 -9.986 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.545 -2.958 -9.624 1.00 0.00 H new ATOM 1124 N VAL A 74 0.339 -6.878 -6.258 1.00 0.00 N ATOM 1125 CA VAL A 74 0.907 -8.148 -5.820 1.00 0.00 C ATOM 1126 C VAL A 74 0.805 -9.203 -6.915 1.00 0.00 C ATOM 1127 O VAL A 74 -0.282 -9.487 -7.420 1.00 0.00 O ATOM 1128 CB VAL A 74 0.204 -8.669 -4.552 1.00 0.00 C ATOM 1129 CG1 VAL A 74 -1.291 -8.810 -4.791 1.00 0.00 C ATOM 1130 CG2 VAL A 74 0.810 -9.994 -4.115 1.00 0.00 C ATOM 0 H VAL A 74 -0.663 -6.906 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 74 1.957 -7.964 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 74 0.353 -7.945 -3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.771 -9.179 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.711 -7.839 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.465 -9.513 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.302 -10.348 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.693 -10.728 -4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.870 -9.856 -3.901 1.00 0.00 H new ATOM 1140 N THR A 75 1.944 -9.782 -7.280 1.00 0.00 N ATOM 1141 CA THR A 75 1.984 -10.806 -8.316 1.00 0.00 C ATOM 1142 C THR A 75 2.441 -12.145 -7.749 1.00 0.00 C ATOM 1143 O THR A 75 3.219 -12.863 -8.377 1.00 0.00 O ATOM 1144 CB THR A 75 2.922 -10.402 -9.469 1.00 0.00 C ATOM 1145 OG1 THR A 75 4.272 -10.322 -8.997 1.00 0.00 O ATOM 1146 CG2 THR A 75 2.506 -9.065 -10.062 1.00 0.00 C ATOM 0 H THR A 75 2.852 -9.559 -6.873 1.00 0.00 H new ATOM 0 HA THR A 75 0.969 -10.906 -8.701 1.00 0.00 H new ATOM 0 HB THR A 75 2.854 -11.163 -10.247 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.291 -9.846 -8.141 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.183 -8.801 -10.874 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.489 -9.138 -10.447 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.547 -8.296 -9.291 1.00 0.00 H new ATOM 1154 N SER A 76 1.953 -12.475 -6.558 1.00 0.00 N ATOM 1155 CA SER A 76 2.315 -13.728 -5.904 1.00 0.00 C ATOM 1156 C SER A 76 1.368 -14.030 -4.746 1.00 0.00 C ATOM 1157 O SER A 76 0.636 -13.154 -4.285 1.00 0.00 O ATOM 1158 CB SER A 76 3.756 -13.665 -5.396 1.00 0.00 C ATOM 1159 OG SER A 76 4.353 -14.951 -5.392 1.00 0.00 O ATOM 0 H SER A 76 1.306 -11.893 -6.026 1.00 0.00 H new ATOM 0 HA SER A 76 2.231 -14.530 -6.638 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.338 -12.993 -6.026 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.772 -13.250 -4.388 1.00 0.00 H new ATOM 0 HG SER A 76 5.274 -14.883 -5.065 1.00 0.00 H new ATOM 1165 N ILE A 77 1.389 -15.275 -4.283 1.00 0.00 N ATOM 1166 CA ILE A 77 0.534 -15.692 -3.179 1.00 0.00 C ATOM 1167 C ILE A 77 1.260 -15.569 -1.844 1.00 0.00 C ATOM 1168 O ILE A 77 2.039 -16.444 -1.465 1.00 0.00 O ATOM 1169 CB ILE A 77 0.054 -17.145 -3.357 1.00 0.00 C ATOM 1170 CG1 ILE A 77 -0.744 -17.286 -4.655 1.00 0.00 C ATOM 1171 CG2 ILE A 77 -0.786 -17.575 -2.163 1.00 0.00 C ATOM 1172 CD1 ILE A 77 0.107 -17.657 -5.849 1.00 0.00 C ATOM 0 H ILE A 77 1.988 -16.012 -4.655 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.331 -15.029 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 77 0.926 -17.796 -3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.514 -18.045 -4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.256 -16.346 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.118 -18.604 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.188 -17.507 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.655 -16.922 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.524 -17.740 -6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.861 -16.887 -6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.598 -18.612 -5.663 1.00 0.00 H new ATOM 1184 N LEU A 78 0.998 -14.477 -1.133 1.00 0.00 N ATOM 1185 CA LEU A 78 1.626 -14.239 0.162 1.00 0.00 C ATOM 1186 C LEU A 78 1.828 -15.549 0.918 1.00 0.00 C ATOM 1187 O LEU A 78 0.940 -16.401 0.953 1.00 0.00 O ATOM 1188 CB LEU A 78 0.772 -13.282 0.996 1.00 0.00 C ATOM 1189 CG LEU A 78 0.561 -11.886 0.409 1.00 0.00 C ATOM 1190 CD1 LEU A 78 -0.330 -11.054 1.318 1.00 0.00 C ATOM 1191 CD2 LEU A 78 1.897 -11.192 0.188 1.00 0.00 C ATOM 0 H LEU A 78 0.355 -13.743 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 78 2.603 -13.787 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.205 -13.740 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.234 -13.176 1.977 1.00 0.00 H new ATOM 0 HG LEU A 78 0.065 -11.990 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.469 -10.064 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.298 -11.543 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.138 -10.958 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.727 -10.200 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.421 -11.100 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.502 -11.778 -0.504 1.00 0.00 H new ATOM 1203 N ASP A 79 3.000 -15.701 1.525 1.00 0.00 N ATOM 1204 CA ASP A 79 3.318 -16.905 2.284 1.00 0.00 C ATOM 1205 C ASP A 79 3.682 -16.559 3.724 1.00 0.00 C ATOM 1206 O ASP A 79 4.855 -16.374 4.051 1.00 0.00 O ATOM 1207 CB ASP A 79 4.470 -17.662 1.621 1.00 0.00 C ATOM 1208 CG ASP A 79 4.095 -18.206 0.256 1.00 0.00 C ATOM 1209 OD1 ASP A 79 3.144 -19.011 0.179 1.00 0.00 O ATOM 1210 OD2 ASP A 79 4.754 -17.826 -0.735 1.00 0.00 O ATOM 0 H ASP A 79 3.746 -15.005 1.506 1.00 0.00 H new ATOM 0 HA ASP A 79 2.434 -17.542 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.328 -16.997 1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.778 -18.486 2.265 1.00 0.00 H new ATOM 1215 N ARG A 80 2.670 -16.472 4.581 1.00 0.00 N ATOM 1216 CA ARG A 80 2.883 -16.146 5.985 1.00 0.00 C ATOM 1217 C ARG A 80 3.995 -17.006 6.580 1.00 0.00 C ATOM 1218 O ARG A 80 4.929 -16.492 7.194 1.00 0.00 O ATOM 1219 CB ARG A 80 1.591 -16.344 6.779 1.00 0.00 C ATOM 1220 CG ARG A 80 1.533 -15.530 8.062 1.00 0.00 C ATOM 1221 CD ARG A 80 0.267 -15.825 8.852 1.00 0.00 C ATOM 1222 NE ARG A 80 0.430 -15.535 10.274 1.00 0.00 N ATOM 1223 CZ ARG A 80 -0.380 -16.004 11.217 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -1.403 -16.781 10.890 1.00 0.00 N ATOM 1225 NH2 ARG A 80 -0.166 -15.696 12.490 1.00 0.00 N ATOM 0 H ARG A 80 1.694 -16.623 4.327 1.00 0.00 H new ATOM 0 HA ARG A 80 3.183 -15.100 6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.743 -16.075 6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.484 -17.401 7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.406 -15.753 8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.574 -14.467 7.822 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.556 -15.232 8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.004 -16.873 8.724 1.00 0.00 H new ATOM 0 HE ARG A 80 1.208 -14.940 10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.570 -17.020 9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.023 -17.140 11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.621 -15.099 12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.788 -16.056 13.213 1.00 0.00 H new ATOM 1239 N GLU A 81 3.885 -18.318 6.394 1.00 0.00 N ATOM 1240 CA GLU A 81 4.880 -19.249 6.913 1.00 0.00 C ATOM 1241 C GLU A 81 6.276 -18.633 6.871 1.00 0.00 C ATOM 1242 O GLU A 81 7.036 -18.728 7.834 1.00 0.00 O ATOM 1243 CB GLU A 81 4.861 -20.551 6.111 1.00 0.00 C ATOM 1244 CG GLU A 81 5.146 -20.358 4.631 1.00 0.00 C ATOM 1245 CD GLU A 81 5.261 -21.672 3.882 1.00 0.00 C ATOM 1246 OE1 GLU A 81 4.697 -22.678 4.362 1.00 0.00 O ATOM 1247 OE2 GLU A 81 5.914 -21.695 2.819 1.00 0.00 O ATOM 0 H GLU A 81 3.117 -18.760 5.888 1.00 0.00 H new ATOM 0 HA GLU A 81 4.629 -19.467 7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.599 -21.236 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.886 -21.025 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.351 -19.759 4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.072 -19.795 4.514 1.00 0.00 H new ATOM 1254 N GLU A 82 6.604 -18.002 5.748 1.00 0.00 N ATOM 1255 CA GLU A 82 7.908 -17.372 5.580 1.00 0.00 C ATOM 1256 C GLU A 82 7.809 -15.860 5.759 1.00 0.00 C ATOM 1257 O GLU A 82 8.445 -15.284 6.643 1.00 0.00 O ATOM 1258 CB GLU A 82 8.481 -17.696 4.198 1.00 0.00 C ATOM 1259 CG GLU A 82 9.762 -16.944 3.880 1.00 0.00 C ATOM 1260 CD GLU A 82 10.454 -17.470 2.637 1.00 0.00 C ATOM 1261 OE1 GLU A 82 11.011 -18.586 2.696 1.00 0.00 O ATOM 1262 OE2 GLU A 82 10.438 -16.766 1.606 1.00 0.00 O ATOM 0 H GLU A 82 5.985 -17.914 4.942 1.00 0.00 H new ATOM 0 HA GLU A 82 8.576 -17.768 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.673 -18.767 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.734 -17.461 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.534 -15.887 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.442 -17.017 4.729 1.00 0.00 H new ATOM 1269 N THR A 83 7.006 -15.220 4.914 1.00 0.00 N ATOM 1270 CA THR A 83 6.824 -13.776 4.978 1.00 0.00 C ATOM 1271 C THR A 83 5.498 -13.417 5.638 1.00 0.00 C ATOM 1272 O THR A 83 4.445 -13.394 4.999 1.00 0.00 O ATOM 1273 CB THR A 83 6.874 -13.141 3.575 1.00 0.00 C ATOM 1274 OG1 THR A 83 6.080 -13.907 2.662 1.00 0.00 O ATOM 1275 CG2 THR A 83 8.306 -13.064 3.067 1.00 0.00 C ATOM 0 H THR A 83 6.471 -15.680 4.177 1.00 0.00 H new ATOM 0 HA THR A 83 7.644 -13.381 5.578 1.00 0.00 H new ATOM 0 HB THR A 83 6.474 -12.129 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.184 -14.038 3.038 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.316 -12.612 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.902 -12.457 3.748 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.727 -14.068 3.013 1.00 0.00 H new ATOM 1283 N PRO A 84 5.546 -13.130 6.947 1.00 0.00 N ATOM 1284 CA PRO A 84 4.356 -12.765 7.722 1.00 0.00 C ATOM 1285 C PRO A 84 3.814 -11.392 7.341 1.00 0.00 C ATOM 1286 O PRO A 84 2.630 -11.109 7.522 1.00 0.00 O ATOM 1287 CB PRO A 84 4.862 -12.758 9.167 1.00 0.00 C ATOM 1288 CG PRO A 84 6.323 -12.491 9.055 1.00 0.00 C ATOM 1289 CD PRO A 84 6.766 -13.138 7.772 1.00 0.00 C ATOM 0 HA PRO A 84 3.530 -13.454 7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.363 -11.989 9.757 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.670 -13.712 9.658 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.524 -11.420 9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.862 -12.905 9.907 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.575 -12.581 7.299 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.132 -14.151 7.938 1.00 0.00 H new ATOM 1297 N PHE A 85 4.688 -10.542 6.810 1.00 0.00 N ATOM 1298 CA PHE A 85 4.296 -9.198 6.404 1.00 0.00 C ATOM 1299 C PHE A 85 5.397 -8.537 5.579 1.00 0.00 C ATOM 1300 O PHE A 85 6.467 -9.112 5.378 1.00 0.00 O ATOM 1301 CB PHE A 85 3.981 -8.342 7.632 1.00 0.00 C ATOM 1302 CG PHE A 85 5.086 -8.323 8.649 1.00 0.00 C ATOM 1303 CD1 PHE A 85 6.165 -7.466 8.505 1.00 0.00 C ATOM 1304 CD2 PHE A 85 5.046 -9.164 9.750 1.00 0.00 C ATOM 1305 CE1 PHE A 85 7.183 -7.446 9.439 1.00 0.00 C ATOM 1306 CE2 PHE A 85 6.061 -9.148 10.688 1.00 0.00 C ATOM 1307 CZ PHE A 85 7.131 -8.289 10.532 1.00 0.00 C ATOM 0 H PHE A 85 5.672 -10.761 6.651 1.00 0.00 H new ATOM 0 HA PHE A 85 3.401 -9.279 5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.777 -7.321 7.310 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.072 -8.716 8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.211 -6.805 7.652 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.213 -9.839 9.876 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.018 -6.772 9.315 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.017 -9.807 11.543 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.926 -8.276 11.263 1.00 0.00 H new ATOM 1317 N PHE A 86 5.125 -7.327 5.102 1.00 0.00 N ATOM 1318 CA PHE A 86 6.090 -6.588 4.297 1.00 0.00 C ATOM 1319 C PHE A 86 6.072 -5.104 4.652 1.00 0.00 C ATOM 1320 O PHE A 86 5.029 -4.452 4.591 1.00 0.00 O ATOM 1321 CB PHE A 86 5.791 -6.771 2.808 1.00 0.00 C ATOM 1322 CG PHE A 86 5.774 -8.208 2.372 1.00 0.00 C ATOM 1323 CD1 PHE A 86 4.632 -8.978 2.520 1.00 0.00 C ATOM 1324 CD2 PHE A 86 6.902 -8.789 1.813 1.00 0.00 C ATOM 1325 CE1 PHE A 86 4.615 -10.301 2.120 1.00 0.00 C ATOM 1326 CE2 PHE A 86 6.890 -10.112 1.412 1.00 0.00 C ATOM 1327 CZ PHE A 86 5.745 -10.868 1.564 1.00 0.00 C ATOM 0 H PHE A 86 4.244 -6.837 5.259 1.00 0.00 H new ATOM 0 HA PHE A 86 7.083 -6.983 4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.825 -6.320 2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.539 -6.232 2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.745 -8.540 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.800 -8.202 1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.719 -10.891 2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.776 -10.554 0.980 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.733 -11.901 1.249 1.00 0.00 H new ATOM 1337 N LEU A 87 7.233 -4.577 5.024 1.00 0.00 N ATOM 1338 CA LEU A 87 7.352 -3.170 5.390 1.00 0.00 C ATOM 1339 C LEU A 87 8.053 -2.378 4.291 1.00 0.00 C ATOM 1340 O LEU A 87 9.280 -2.398 4.182 1.00 0.00 O ATOM 1341 CB LEU A 87 8.120 -3.028 6.706 1.00 0.00 C ATOM 1342 CG LEU A 87 7.367 -3.441 7.971 1.00 0.00 C ATOM 1343 CD1 LEU A 87 8.317 -3.521 9.155 1.00 0.00 C ATOM 1344 CD2 LEU A 87 6.234 -2.466 8.259 1.00 0.00 C ATOM 0 H LEU A 87 8.105 -5.103 5.080 1.00 0.00 H new ATOM 0 HA LEU A 87 6.347 -2.767 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.030 -3.624 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.427 -1.988 6.814 1.00 0.00 H new ATOM 0 HG LEU A 87 6.937 -4.429 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.763 -3.816 10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.093 -4.258 8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.776 -2.546 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.709 -2.775 9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.642 -1.465 8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.538 -2.458 7.420 1.00 0.00 H new ATOM 1356 N LEU A 88 7.267 -1.680 3.479 1.00 0.00 N ATOM 1357 CA LEU A 88 7.812 -0.879 2.388 1.00 0.00 C ATOM 1358 C LEU A 88 7.779 0.606 2.734 1.00 0.00 C ATOM 1359 O LEU A 88 7.294 0.997 3.797 1.00 0.00 O ATOM 1360 CB LEU A 88 7.025 -1.132 1.101 1.00 0.00 C ATOM 1361 CG LEU A 88 6.721 -2.595 0.776 1.00 0.00 C ATOM 1362 CD1 LEU A 88 5.592 -2.693 -0.237 1.00 0.00 C ATOM 1363 CD2 LEU A 88 7.968 -3.296 0.258 1.00 0.00 C ATOM 0 H LEU A 88 6.250 -1.652 3.555 1.00 0.00 H new ATOM 0 HA LEU A 88 8.850 -1.175 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.081 -0.591 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.583 -0.704 0.268 1.00 0.00 H new ATOM 0 HG LEU A 88 6.403 -3.093 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.390 -3.741 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.695 -2.228 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.881 -2.180 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.733 -4.336 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.316 -2.798 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.749 -3.257 1.017 1.00 0.00 H new ATOM 1375 N THR A 89 8.297 1.431 1.829 1.00 0.00 N ATOM 1376 CA THR A 89 8.326 2.873 2.038 1.00 0.00 C ATOM 1377 C THR A 89 8.205 3.622 0.716 1.00 0.00 C ATOM 1378 O THR A 89 8.986 3.401 -0.208 1.00 0.00 O ATOM 1379 CB THR A 89 9.622 3.312 2.746 1.00 0.00 C ATOM 1380 OG1 THR A 89 9.794 2.568 3.957 1.00 0.00 O ATOM 1381 CG2 THR A 89 9.589 4.800 3.060 1.00 0.00 C ATOM 0 H THR A 89 8.702 1.125 0.944 1.00 0.00 H new ATOM 0 HA THR A 89 7.473 3.118 2.671 1.00 0.00 H new ATOM 0 HB THR A 89 10.460 3.116 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 89 10.621 2.852 4.401 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.514 5.087 3.560 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.486 5.365 2.134 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.743 5.016 3.712 1.00 0.00 H new ATOM 1389 N GLY A 90 7.219 4.512 0.633 1.00 0.00 N ATOM 1390 CA GLY A 90 7.014 5.281 -0.580 1.00 0.00 C ATOM 1391 C GLY A 90 7.798 6.578 -0.584 1.00 0.00 C ATOM 1392 O GLY A 90 7.470 7.512 0.149 1.00 0.00 O ATOM 0 H GLY A 90 6.559 4.713 1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.307 4.680 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.952 5.501 -0.692 1.00 0.00 H new ATOM 1396 N TYR A 91 8.837 6.638 -1.409 1.00 0.00 N ATOM 1397 CA TYR A 91 9.672 7.829 -1.501 1.00 0.00 C ATOM 1398 C TYR A 91 9.334 8.636 -2.751 1.00 0.00 C ATOM 1399 O TYR A 91 9.881 8.393 -3.827 1.00 0.00 O ATOM 1400 CB TYR A 91 11.152 7.440 -1.516 1.00 0.00 C ATOM 1401 CG TYR A 91 11.677 7.005 -0.167 1.00 0.00 C ATOM 1402 CD1 TYR A 91 11.918 7.933 0.839 1.00 0.00 C ATOM 1403 CD2 TYR A 91 11.933 5.666 0.102 1.00 0.00 C ATOM 1404 CE1 TYR A 91 12.399 7.540 2.073 1.00 0.00 C ATOM 1405 CE2 TYR A 91 12.412 5.264 1.334 1.00 0.00 C ATOM 1406 CZ TYR A 91 12.644 6.205 2.316 1.00 0.00 C ATOM 1407 OH TYR A 91 13.122 5.808 3.544 1.00 0.00 O ATOM 0 H TYR A 91 9.121 5.875 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 91 9.475 8.449 -0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.299 6.631 -2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.739 8.288 -1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.726 8.979 0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.755 4.927 -0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.582 8.275 2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.604 4.219 1.527 1.00 0.00 H new ATOM 0 HH TYR A 91 13.239 4.835 3.550 1.00 0.00 H new ATOM 1417 N ALA A 92 8.429 9.597 -2.600 1.00 0.00 N ATOM 1418 CA ALA A 92 8.019 10.442 -3.715 1.00 0.00 C ATOM 1419 C ALA A 92 9.165 11.335 -4.178 1.00 0.00 C ATOM 1420 O ALA A 92 9.652 12.178 -3.424 1.00 0.00 O ATOM 1421 CB ALA A 92 6.815 11.286 -3.323 1.00 0.00 C ATOM 0 H ALA A 92 7.966 9.810 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 92 7.740 9.794 -4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.520 11.912 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.987 10.633 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.075 11.919 -2.474 1.00 0.00 H new ATOM 1427 N LEU A 93 9.592 11.144 -5.421 1.00 0.00 N ATOM 1428 CA LEU A 93 10.683 11.933 -5.985 1.00 0.00 C ATOM 1429 C LEU A 93 10.159 12.925 -7.018 1.00 0.00 C ATOM 1430 O LEU A 93 9.155 12.672 -7.684 1.00 0.00 O ATOM 1431 CB LEU A 93 11.724 11.014 -6.625 1.00 0.00 C ATOM 1432 CG LEU A 93 12.175 9.820 -5.782 1.00 0.00 C ATOM 1433 CD1 LEU A 93 13.147 8.951 -6.565 1.00 0.00 C ATOM 1434 CD2 LEU A 93 12.809 10.294 -4.482 1.00 0.00 C ATOM 0 H LEU A 93 9.200 10.450 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 93 11.151 12.493 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.319 10.638 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.602 11.610 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 93 11.298 9.220 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.457 8.107 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.660 8.583 -7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.022 9.540 -6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.124 9.431 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.675 10.917 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.082 10.874 -3.913 1.00 0.00 H new ATOM 1446 N ASP A 94 10.848 14.054 -7.148 1.00 0.00 N ATOM 1447 CA ASP A 94 10.455 15.084 -8.103 1.00 0.00 C ATOM 1448 C ASP A 94 11.447 15.159 -9.260 1.00 0.00 C ATOM 1449 O ASP A 94 11.077 14.986 -10.420 1.00 0.00 O ATOM 1450 CB ASP A 94 10.358 16.443 -7.409 1.00 0.00 C ATOM 1451 CG ASP A 94 9.672 17.485 -8.270 1.00 0.00 C ATOM 1452 OD1 ASP A 94 8.650 17.152 -8.905 1.00 0.00 O ATOM 1453 OD2 ASP A 94 10.158 18.635 -8.309 1.00 0.00 O ATOM 0 H ASP A 94 11.681 14.279 -6.604 1.00 0.00 H new ATOM 0 HA ASP A 94 9.476 14.819 -8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.810 16.332 -6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.359 16.789 -7.153 1.00 0.00 H new ATOM 1458 N ALA A 95 12.709 15.419 -8.934 1.00 0.00 N ATOM 1459 CA ALA A 95 13.754 15.517 -9.945 1.00 0.00 C ATOM 1460 C ALA A 95 14.994 14.731 -9.531 1.00 0.00 C ATOM 1461 O ALA A 95 15.351 13.738 -10.166 1.00 0.00 O ATOM 1462 CB ALA A 95 14.111 16.975 -10.196 1.00 0.00 C ATOM 0 H ALA A 95 13.032 15.565 -7.978 1.00 0.00 H new ATOM 0 HA ALA A 95 13.372 15.083 -10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.893 17.033 -10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.228 17.511 -10.544 1.00 0.00 H new ATOM 0 HB3 ALA A 95 14.468 17.427 -9.271 1.00 0.00 H new ATOM 1468 N ARG A 96 15.645 15.181 -8.464 1.00 0.00 N ATOM 1469 CA ARG A 96 16.846 14.520 -7.967 1.00 0.00 C ATOM 1470 C ARG A 96 16.545 13.728 -6.698 1.00 0.00 C ATOM 1471 O ARG A 96 17.383 13.629 -5.803 1.00 0.00 O ATOM 1472 CB ARG A 96 17.943 15.550 -7.690 1.00 0.00 C ATOM 1473 CG ARG A 96 18.815 15.851 -8.898 1.00 0.00 C ATOM 1474 CD ARG A 96 19.799 16.974 -8.609 1.00 0.00 C ATOM 1475 NE ARG A 96 20.544 17.369 -9.802 1.00 0.00 N ATOM 1476 CZ ARG A 96 20.095 18.248 -10.691 1.00 0.00 C ATOM 1477 NH1 ARG A 96 18.911 18.820 -10.523 1.00 0.00 N ATOM 1478 NH2 ARG A 96 20.831 18.556 -11.751 1.00 0.00 N ATOM 0 H ARG A 96 15.361 16.000 -7.927 1.00 0.00 H new ATOM 0 HA ARG A 96 17.193 13.827 -8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.482 16.476 -7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 96 18.574 15.187 -6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 96 19.361 14.953 -9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 96 18.185 16.127 -9.743 1.00 0.00 H new ATOM 0 HD2 ARG A 96 19.260 17.836 -8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 96 20.497 16.654 -7.835 1.00 0.00 H new ATOM 0 HE ARG A 96 21.459 16.947 -9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 96 18.342 18.586 -9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 96 18.569 19.495 -11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 96 21.742 18.118 -11.884 1.00 0.00 H new ATOM 0 HH22 ARG A 96 20.485 19.231 -12.433 1.00 0.00 H new ATOM 1492 N GLY A 97 15.342 13.167 -6.628 1.00 0.00 N ATOM 1493 CA GLY A 97 14.951 12.391 -5.465 1.00 0.00 C ATOM 1494 C GLY A 97 15.377 13.043 -4.165 1.00 0.00 C ATOM 1495 O GLY A 97 15.875 12.374 -3.261 1.00 0.00 O ATOM 0 H GLY A 97 14.631 13.236 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.869 12.261 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.391 11.396 -5.531 1.00 0.00 H new ATOM 1499 N ASN A 98 15.181 14.354 -4.070 1.00 0.00 N ATOM 1500 CA ASN A 98 15.550 15.098 -2.871 1.00 0.00 C ATOM 1501 C ASN A 98 14.482 14.953 -1.791 1.00 0.00 C ATOM 1502 O ASN A 98 14.470 15.698 -0.812 1.00 0.00 O ATOM 1503 CB ASN A 98 15.756 16.576 -3.205 1.00 0.00 C ATOM 1504 CG ASN A 98 17.185 16.884 -3.610 1.00 0.00 C ATOM 1505 OD1 ASN A 98 18.133 16.484 -2.934 1.00 0.00 O ATOM 1506 ND2 ASN A 98 17.345 17.598 -4.718 1.00 0.00 N ATOM 0 H ASN A 98 14.769 14.923 -4.809 1.00 0.00 H new ATOM 0 HA ASN A 98 16.485 14.685 -2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.083 16.860 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.488 17.182 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 98 18.283 17.836 -5.040 1.00 0.00 H new ATOM 0 HD22 ASN A 98 16.530 17.908 -5.247 1.00 0.00 H new ATOM 1513 N ASN A 99 13.587 13.988 -1.977 1.00 0.00 N ATOM 1514 CA ASN A 99 12.515 13.746 -1.019 1.00 0.00 C ATOM 1515 C ASN A 99 11.828 15.051 -0.628 1.00 0.00 C ATOM 1516 O ASN A 99 11.587 15.309 0.551 1.00 0.00 O ATOM 1517 CB ASN A 99 13.065 13.052 0.229 1.00 0.00 C ATOM 1518 CG ASN A 99 14.082 13.904 0.963 1.00 0.00 C ATOM 1519 OD1 ASN A 99 15.339 13.476 0.942 1.00 0.00 O flip ATOM 1520 ND2 ASN A 99 13.742 14.936 1.542 1.00 0.00 N flip ATOM 0 H ASN A 99 13.583 13.361 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 99 11.779 13.097 -1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.241 12.814 0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.526 12.107 -0.058 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.765 15.228 1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.438 15.499 2.031 1.00 0.00 H new ATOM 1527 N VAL A 100 11.516 15.871 -1.627 1.00 0.00 N ATOM 1528 CA VAL A 100 10.856 17.149 -1.388 1.00 0.00 C ATOM 1529 C VAL A 100 9.721 17.002 -0.381 1.00 0.00 C ATOM 1530 O VAL A 100 9.319 17.972 0.261 1.00 0.00 O ATOM 1531 CB VAL A 100 10.295 17.743 -2.694 1.00 0.00 C ATOM 1532 CG1 VAL A 100 11.424 18.074 -3.658 1.00 0.00 C ATOM 1533 CG2 VAL A 100 9.302 16.784 -3.332 1.00 0.00 C ATOM 0 H VAL A 100 11.710 15.673 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 100 11.610 17.824 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 100 9.770 18.668 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 100 11.009 18.492 -4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 100 12.094 18.801 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.980 17.166 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.916 17.220 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.800 15.841 -3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.477 16.603 -2.643 1.00 0.00 H new ATOM 1543 N GLU A 101 9.209 15.782 -0.248 1.00 0.00 N ATOM 1544 CA GLU A 101 8.120 15.509 0.682 1.00 0.00 C ATOM 1545 C GLU A 101 8.532 14.460 1.710 1.00 0.00 C ATOM 1546 O GLU A 101 9.607 13.866 1.612 1.00 0.00 O ATOM 1547 CB GLU A 101 6.879 15.035 -0.077 1.00 0.00 C ATOM 1548 CG GLU A 101 6.360 16.045 -1.086 1.00 0.00 C ATOM 1549 CD GLU A 101 5.500 15.408 -2.161 1.00 0.00 C ATOM 1550 OE1 GLU A 101 5.742 14.229 -2.492 1.00 0.00 O ATOM 1551 OE2 GLU A 101 4.586 16.090 -2.670 1.00 0.00 O ATOM 0 H GLU A 101 9.531 14.968 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 101 7.885 16.434 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.113 14.105 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.089 14.811 0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.779 16.807 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.204 16.552 -1.554 1.00 0.00 H new ATOM 1558 N LYS A 102 7.671 14.236 2.697 1.00 0.00 N ATOM 1559 CA LYS A 102 7.943 13.259 3.744 1.00 0.00 C ATOM 1560 C LYS A 102 7.329 11.906 3.398 1.00 0.00 C ATOM 1561 O LYS A 102 6.144 11.798 3.080 1.00 0.00 O ATOM 1562 CB LYS A 102 7.396 13.752 5.085 1.00 0.00 C ATOM 1563 CG LYS A 102 7.624 12.779 6.229 1.00 0.00 C ATOM 1564 CD LYS A 102 7.028 13.297 7.528 1.00 0.00 C ATOM 1565 CE LYS A 102 6.745 12.163 8.502 1.00 0.00 C ATOM 1566 NZ LYS A 102 6.845 12.611 9.918 1.00 0.00 N ATOM 0 H LYS A 102 6.778 14.719 2.793 1.00 0.00 H new ATOM 0 HA LYS A 102 9.023 13.138 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.864 14.705 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.327 13.939 4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.179 11.815 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.693 12.613 6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.714 14.009 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.104 13.836 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.747 11.765 8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.450 11.350 8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.645 11.810 10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.805 12.967 10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.155 13.369 10.092 1.00 0.00 H new ATOM 1580 N PRO A 103 8.151 10.848 3.463 1.00 0.00 N ATOM 1581 CA PRO A 103 7.709 9.483 3.162 1.00 0.00 C ATOM 1582 C PRO A 103 6.760 8.934 4.222 1.00 0.00 C ATOM 1583 O PRO A 103 6.346 9.654 5.132 1.00 0.00 O ATOM 1584 CB PRO A 103 9.014 8.683 3.147 1.00 0.00 C ATOM 1585 CG PRO A 103 9.942 9.456 4.018 1.00 0.00 C ATOM 1586 CD PRO A 103 9.574 10.902 3.835 1.00 0.00 C ATOM 0 HA PRO A 103 7.151 9.432 2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.863 7.673 3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.408 8.587 2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.839 9.156 5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.980 9.279 3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.729 11.475 4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.175 11.374 3.058 1.00 0.00 H new ATOM 1594 N LEU A 104 6.418 7.656 4.099 1.00 0.00 N ATOM 1595 CA LEU A 104 5.518 7.010 5.048 1.00 0.00 C ATOM 1596 C LEU A 104 5.840 5.525 5.180 1.00 0.00 C ATOM 1597 O LEU A 104 6.433 4.927 4.283 1.00 0.00 O ATOM 1598 CB LEU A 104 4.065 7.191 4.606 1.00 0.00 C ATOM 1599 CG LEU A 104 3.651 6.445 3.336 1.00 0.00 C ATOM 1600 CD1 LEU A 104 4.732 6.563 2.272 1.00 0.00 C ATOM 1601 CD2 LEU A 104 3.363 4.983 3.647 1.00 0.00 C ATOM 0 H LEU A 104 6.750 7.047 3.351 1.00 0.00 H new ATOM 0 HA LEU A 104 5.657 7.481 6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.416 6.869 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.882 8.255 4.454 1.00 0.00 H new ATOM 0 HG LEU A 104 2.739 6.900 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.421 6.026 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.890 7.614 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.661 6.133 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.070 4.467 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.258 4.515 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.554 4.918 4.375 1.00 0.00 H new ATOM 1613 N GLU A 105 5.444 4.936 6.304 1.00 0.00 N ATOM 1614 CA GLU A 105 5.690 3.521 6.552 1.00 0.00 C ATOM 1615 C GLU A 105 4.513 2.673 6.077 1.00 0.00 C ATOM 1616 O GLU A 105 3.390 2.823 6.559 1.00 0.00 O ATOM 1617 CB GLU A 105 5.939 3.277 8.042 1.00 0.00 C ATOM 1618 CG GLU A 105 6.342 1.848 8.366 1.00 0.00 C ATOM 1619 CD GLU A 105 5.150 0.921 8.498 1.00 0.00 C ATOM 1620 OE1 GLU A 105 4.310 1.160 9.391 1.00 0.00 O ATOM 1621 OE2 GLU A 105 5.056 -0.042 7.709 1.00 0.00 O ATOM 0 H GLU A 105 4.952 5.417 7.057 1.00 0.00 H new ATOM 0 HA GLU A 105 6.577 3.229 5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.721 3.953 8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.035 3.526 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.003 1.475 7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.911 1.837 9.296 1.00 0.00 H new ATOM 1628 N LEU A 106 4.780 1.781 5.128 1.00 0.00 N ATOM 1629 CA LEU A 106 3.744 0.909 4.586 1.00 0.00 C ATOM 1630 C LEU A 106 3.902 -0.515 5.110 1.00 0.00 C ATOM 1631 O LEU A 106 4.983 -1.099 5.032 1.00 0.00 O ATOM 1632 CB LEU A 106 3.796 0.911 3.058 1.00 0.00 C ATOM 1633 CG LEU A 106 2.764 0.032 2.349 1.00 0.00 C ATOM 1634 CD1 LEU A 106 1.369 0.619 2.503 1.00 0.00 C ATOM 1635 CD2 LEU A 106 3.119 -0.127 0.878 1.00 0.00 C ATOM 0 H LEU A 106 5.704 1.643 4.719 1.00 0.00 H new ATOM 0 HA LEU A 106 2.776 1.291 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.669 1.937 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.791 0.591 2.748 1.00 0.00 H new ATOM 0 HG LEU A 106 2.774 -0.955 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.647 -0.019 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.115 0.680 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.344 1.617 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.374 -0.755 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.137 0.853 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.101 -0.592 0.789 1.00 0.00 H new ATOM 1647 N ARG A 107 2.818 -1.069 5.642 1.00 0.00 N ATOM 1648 CA ARG A 107 2.836 -2.424 6.178 1.00 0.00 C ATOM 1649 C ARG A 107 1.739 -3.274 5.544 1.00 0.00 C ATOM 1650 O ARG A 107 0.653 -2.779 5.242 1.00 0.00 O ATOM 1651 CB ARG A 107 2.662 -2.397 7.698 1.00 0.00 C ATOM 1652 CG ARG A 107 1.269 -1.981 8.143 1.00 0.00 C ATOM 1653 CD ARG A 107 1.142 -0.468 8.231 1.00 0.00 C ATOM 1654 NE ARG A 107 1.498 0.035 9.555 1.00 0.00 N ATOM 1655 CZ ARG A 107 0.715 -0.085 10.622 1.00 0.00 C ATOM 1656 NH1 ARG A 107 -0.461 -0.689 10.520 1.00 0.00 N ATOM 1657 NH2 ARG A 107 1.109 0.399 11.793 1.00 0.00 N ATOM 0 H ARG A 107 1.915 -0.600 5.713 1.00 0.00 H new ATOM 0 HA ARG A 107 3.801 -2.870 5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.882 -3.387 8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.392 -1.710 8.127 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.530 -2.369 7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.049 -2.423 9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 107 1.786 -0.006 7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 107 0.119 -0.176 7.995 1.00 0.00 H new ATOM 0 HE ARG A 107 2.397 0.504 9.667 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.766 -1.063 9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.060 -0.780 11.340 1.00 0.00 H new ATOM 0 HH21 ARG A 107 2.013 0.864 11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.507 0.307 12.612 1.00 0.00 H new ATOM 1671 N ILE A 108 2.030 -4.555 5.346 1.00 0.00 N ATOM 1672 CA ILE A 108 1.068 -5.474 4.749 1.00 0.00 C ATOM 1673 C ILE A 108 0.940 -6.749 5.575 1.00 0.00 C ATOM 1674 O ILE A 108 1.816 -7.614 5.541 1.00 0.00 O ATOM 1675 CB ILE A 108 1.465 -5.846 3.308 1.00 0.00 C ATOM 1676 CG1 ILE A 108 1.580 -4.587 2.446 1.00 0.00 C ATOM 1677 CG2 ILE A 108 0.452 -6.812 2.712 1.00 0.00 C ATOM 1678 CD1 ILE A 108 2.446 -4.771 1.220 1.00 0.00 C ATOM 0 H ILE A 108 2.924 -4.981 5.590 1.00 0.00 H new ATOM 0 HA ILE A 108 0.108 -4.958 4.731 1.00 0.00 H new ATOM 0 HB ILE A 108 2.437 -6.338 3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.583 -4.278 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.989 -3.778 3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.746 -7.065 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.415 -7.719 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.533 -6.345 2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.482 -3.839 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.455 -5.050 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.026 -5.558 0.593 1.00 0.00 H new ATOM 1690 N LYS A 109 -0.158 -6.860 6.314 1.00 0.00 N ATOM 1691 CA LYS A 109 -0.404 -8.031 7.147 1.00 0.00 C ATOM 1692 C LYS A 109 -1.009 -9.166 6.326 1.00 0.00 C ATOM 1693 O LYS A 109 -1.998 -8.975 5.619 1.00 0.00 O ATOM 1694 CB LYS A 109 -1.338 -7.672 8.305 1.00 0.00 C ATOM 1695 CG LYS A 109 -1.659 -8.845 9.215 1.00 0.00 C ATOM 1696 CD LYS A 109 -2.842 -8.543 10.119 1.00 0.00 C ATOM 1697 CE LYS A 109 -2.935 -9.537 11.266 1.00 0.00 C ATOM 1698 NZ LYS A 109 -4.001 -9.165 12.238 1.00 0.00 N ATOM 0 H LYS A 109 -0.892 -6.153 6.353 1.00 0.00 H new ATOM 0 HA LYS A 109 0.552 -8.366 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.881 -6.879 8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.268 -7.272 7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.877 -9.726 8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.787 -9.084 9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.748 -7.533 10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.763 -8.571 9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.137 -10.532 10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.976 -9.588 11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.032 -9.867 13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.795 -8.227 12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.920 -9.141 11.753 1.00 0.00 H new ATOM 1712 N VAL A 110 -0.408 -10.348 6.426 1.00 0.00 N ATOM 1713 CA VAL A 110 -0.890 -11.514 5.695 1.00 0.00 C ATOM 1714 C VAL A 110 -1.999 -12.225 6.462 1.00 0.00 C ATOM 1715 O VAL A 110 -1.733 -13.010 7.373 1.00 0.00 O ATOM 1716 CB VAL A 110 0.250 -12.512 5.418 1.00 0.00 C ATOM 1717 CG1 VAL A 110 -0.259 -13.691 4.603 1.00 0.00 C ATOM 1718 CG2 VAL A 110 1.403 -11.820 4.707 1.00 0.00 C ATOM 0 H VAL A 110 0.413 -10.523 7.006 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.285 -11.152 4.746 1.00 0.00 H new ATOM 0 HB VAL A 110 0.617 -12.892 6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.560 -14.386 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.049 -14.201 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.654 -13.333 3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.199 -12.540 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.053 -11.411 3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.784 -11.013 5.332 1.00 0.00 H new ATOM 1728 N LEU A 111 -3.242 -11.945 6.088 1.00 0.00 N ATOM 1729 CA LEU A 111 -4.394 -12.558 6.741 1.00 0.00 C ATOM 1730 C LEU A 111 -4.389 -14.071 6.545 1.00 0.00 C ATOM 1731 O LEU A 111 -4.167 -14.563 5.438 1.00 0.00 O ATOM 1732 CB LEU A 111 -5.692 -11.966 6.190 1.00 0.00 C ATOM 1733 CG LEU A 111 -5.803 -10.441 6.228 1.00 0.00 C ATOM 1734 CD1 LEU A 111 -6.858 -9.959 5.244 1.00 0.00 C ATOM 1735 CD2 LEU A 111 -6.126 -9.964 7.636 1.00 0.00 C ATOM 0 H LEU A 111 -3.479 -11.298 5.336 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.330 -12.348 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.807 -12.293 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.527 -12.385 6.752 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.842 -10.018 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.924 -8.872 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.584 -10.269 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.824 -10.391 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.201 -8.877 7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.074 -10.395 7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.335 -10.278 8.317 1.00 0.00 H new ATOM 1747 N ASP A 112 -4.636 -14.803 7.625 1.00 0.00 N ATOM 1748 CA ASP A 112 -4.663 -16.260 7.572 1.00 0.00 C ATOM 1749 C ASP A 112 -5.953 -16.756 6.926 1.00 0.00 C ATOM 1750 O ASP A 112 -7.007 -16.134 7.064 1.00 0.00 O ATOM 1751 CB ASP A 112 -4.524 -16.846 8.978 1.00 0.00 C ATOM 1752 CG ASP A 112 -5.470 -16.199 9.971 1.00 0.00 C ATOM 1753 OD1 ASP A 112 -5.307 -14.992 10.245 1.00 0.00 O ATOM 1754 OD2 ASP A 112 -6.373 -16.901 10.474 1.00 0.00 O ATOM 0 H ASP A 112 -4.821 -14.411 8.549 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.822 -16.592 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.717 -17.918 8.942 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.498 -16.718 9.322 1.00 0.00 H new ATOM 1759 N ILE A 113 -5.862 -17.879 6.222 1.00 0.00 N ATOM 1760 CA ILE A 113 -7.022 -18.458 5.555 1.00 0.00 C ATOM 1761 C ILE A 113 -8.248 -18.430 6.461 1.00 0.00 C ATOM 1762 O ILE A 113 -9.373 -18.252 5.996 1.00 0.00 O ATOM 1763 CB ILE A 113 -6.754 -19.910 5.118 1.00 0.00 C ATOM 1764 CG1 ILE A 113 -7.990 -20.496 4.432 1.00 0.00 C ATOM 1765 CG2 ILE A 113 -6.354 -20.758 6.316 1.00 0.00 C ATOM 1766 CD1 ILE A 113 -8.064 -20.185 2.954 1.00 0.00 C ATOM 0 H ILE A 113 -4.997 -18.406 6.099 1.00 0.00 H new ATOM 0 HA ILE A 113 -7.213 -17.850 4.670 1.00 0.00 H new ATOM 0 HB ILE A 113 -5.930 -19.913 4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -7.993 -21.577 4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -8.884 -20.111 4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.168 -21.782 5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.449 -20.349 6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -7.159 -20.751 7.051 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -8.965 -20.631 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.093 -19.105 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.188 -20.594 2.452 1.00 0.00 H new ATOM 1778 N ASN A 114 -8.022 -18.605 7.759 1.00 0.00 N ATOM 1779 CA ASN A 114 -9.108 -18.599 8.732 1.00 0.00 C ATOM 1780 C ASN A 114 -8.974 -17.418 9.689 1.00 0.00 C ATOM 1781 O ASN A 114 -9.100 -17.573 10.904 1.00 0.00 O ATOM 1782 CB ASN A 114 -9.121 -19.910 9.521 1.00 0.00 C ATOM 1783 CG ASN A 114 -8.973 -21.125 8.626 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -9.271 -21.071 7.433 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -8.510 -22.229 9.200 1.00 0.00 N ATOM 0 H ASN A 114 -7.096 -18.753 8.161 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.048 -18.500 8.190 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -8.312 -19.899 10.251 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -10.054 -19.985 10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.389 -23.078 8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.276 -22.228 10.193 1.00 0.00 H new ATOM 1792 N ASP A 115 -8.720 -16.239 9.132 1.00 0.00 N ATOM 1793 CA ASP A 115 -8.572 -15.030 9.935 1.00 0.00 C ATOM 1794 C ASP A 115 -9.840 -14.750 10.735 1.00 0.00 C ATOM 1795 O ASP A 115 -9.848 -13.904 11.628 1.00 0.00 O ATOM 1796 CB ASP A 115 -8.243 -13.835 9.040 1.00 0.00 C ATOM 1797 CG ASP A 115 -9.152 -13.751 7.829 1.00 0.00 C ATOM 1798 OD1 ASP A 115 -10.380 -13.627 8.017 1.00 0.00 O ATOM 1799 OD2 ASP A 115 -8.635 -13.811 6.694 1.00 0.00 O ATOM 0 H ASP A 115 -8.612 -16.094 8.128 1.00 0.00 H new ATOM 0 HA ASP A 115 -7.751 -15.186 10.635 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.329 -12.916 9.620 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -7.207 -13.907 8.709 1.00 0.00 H new ATOM 1804 N ASN A 116 -10.911 -15.465 10.406 1.00 0.00 N ATOM 1805 CA ASN A 116 -12.186 -15.291 11.092 1.00 0.00 C ATOM 1806 C ASN A 116 -12.554 -13.814 11.192 1.00 0.00 C ATOM 1807 O ASN A 116 -13.148 -13.377 12.177 1.00 0.00 O ATOM 1808 CB ASN A 116 -12.124 -15.908 12.491 1.00 0.00 C ATOM 1809 CG ASN A 116 -13.474 -16.419 12.958 1.00 0.00 C ATOM 1810 OD1 ASN A 116 -14.001 -15.970 13.976 1.00 0.00 O ATOM 1811 ND2 ASN A 116 -14.039 -17.362 12.213 1.00 0.00 N ATOM 0 H ASN A 116 -10.921 -16.170 9.669 1.00 0.00 H new ATOM 0 HA ASN A 116 -12.955 -15.800 10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.408 -16.730 12.491 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.756 -15.164 13.197 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -14.947 -17.744 12.477 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.565 -17.704 11.377 1.00 0.00 H new ATOM 1818 N GLU A 117 -12.196 -13.050 10.164 1.00 0.00 N ATOM 1819 CA GLU A 117 -12.489 -11.622 10.136 1.00 0.00 C ATOM 1820 C GLU A 117 -13.991 -11.376 10.030 1.00 0.00 C ATOM 1821 O GLU A 117 -14.637 -11.737 9.046 1.00 0.00 O ATOM 1822 CB GLU A 117 -11.767 -10.953 8.964 1.00 0.00 C ATOM 1823 CG GLU A 117 -10.281 -10.745 9.203 1.00 0.00 C ATOM 1824 CD GLU A 117 -9.717 -9.592 8.395 1.00 0.00 C ATOM 1825 OE1 GLU A 117 -10.171 -9.393 7.249 1.00 0.00 O ATOM 1826 OE2 GLU A 117 -8.822 -8.889 8.909 1.00 0.00 O ATOM 0 H GLU A 117 -11.703 -13.396 9.341 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.132 -11.186 11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.901 -11.562 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.233 -9.988 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.110 -10.559 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.744 -11.659 8.949 1.00 0.00 H new ATOM 1833 N PRO A 118 -14.562 -10.746 11.068 1.00 0.00 N ATOM 1834 CA PRO A 118 -15.994 -10.438 11.116 1.00 0.00 C ATOM 1835 C PRO A 118 -16.388 -9.355 10.117 1.00 0.00 C ATOM 1836 O PRO A 118 -15.530 -8.682 9.546 1.00 0.00 O ATOM 1837 CB PRO A 118 -16.203 -9.944 12.550 1.00 0.00 C ATOM 1838 CG PRO A 118 -14.870 -9.425 12.969 1.00 0.00 C ATOM 1839 CD PRO A 118 -13.853 -10.287 12.274 1.00 0.00 C ATOM 0 HA PRO A 118 -16.605 -11.302 10.855 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -16.963 -9.164 12.593 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -16.537 -10.751 13.202 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -14.752 -8.379 12.687 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -14.753 -9.479 14.051 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -12.954 -9.724 12.022 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -13.541 -11.123 12.899 1.00 0.00 H new ATOM 1847 N VAL A 119 -17.691 -9.193 9.911 1.00 0.00 N ATOM 1848 CA VAL A 119 -18.198 -8.190 8.982 1.00 0.00 C ATOM 1849 C VAL A 119 -18.379 -6.843 9.672 1.00 0.00 C ATOM 1850 O VAL A 119 -18.988 -6.756 10.738 1.00 0.00 O ATOM 1851 CB VAL A 119 -19.542 -8.624 8.366 1.00 0.00 C ATOM 1852 CG1 VAL A 119 -19.379 -9.920 7.587 1.00 0.00 C ATOM 1853 CG2 VAL A 119 -20.600 -8.773 9.449 1.00 0.00 C ATOM 0 H VAL A 119 -18.414 -9.743 10.375 1.00 0.00 H new ATOM 0 HA VAL A 119 -17.458 -8.091 8.188 1.00 0.00 H new ATOM 0 HB VAL A 119 -19.871 -7.850 7.672 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -20.339 -10.211 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -18.654 -9.774 6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -19.027 -10.705 8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -21.543 -9.080 8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -20.280 -9.527 10.169 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -20.736 -7.819 9.959 1.00 0.00 H new ATOM 1863 N PHE A 120 -17.848 -5.792 9.055 1.00 0.00 N ATOM 1864 CA PHE A 120 -17.950 -4.448 9.610 1.00 0.00 C ATOM 1865 C PHE A 120 -19.079 -3.668 8.942 1.00 0.00 C ATOM 1866 O PHE A 120 -19.734 -4.164 8.025 1.00 0.00 O ATOM 1867 CB PHE A 120 -16.626 -3.700 9.437 1.00 0.00 C ATOM 1868 CG PHE A 120 -15.974 -3.936 8.105 1.00 0.00 C ATOM 1869 CD1 PHE A 120 -16.524 -3.411 6.947 1.00 0.00 C ATOM 1870 CD2 PHE A 120 -14.811 -4.683 8.011 1.00 0.00 C ATOM 1871 CE1 PHE A 120 -15.926 -3.627 5.720 1.00 0.00 C ATOM 1872 CE2 PHE A 120 -14.208 -4.903 6.787 1.00 0.00 C ATOM 1873 CZ PHE A 120 -14.766 -4.373 5.640 1.00 0.00 C ATOM 0 H PHE A 120 -17.343 -5.846 8.171 1.00 0.00 H new ATOM 0 HA PHE A 120 -18.173 -4.537 10.673 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -16.802 -2.632 9.562 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -15.940 -4.004 10.227 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -17.430 -2.826 7.004 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -14.370 -5.098 8.905 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -16.365 -3.213 4.824 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.302 -5.488 6.727 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.296 -4.542 4.682 1.00 0.00 H new ATOM 1883 N THR A 121 -19.302 -2.444 9.410 1.00 0.00 N ATOM 1884 CA THR A 121 -20.352 -1.595 8.861 1.00 0.00 C ATOM 1885 C THR A 121 -19.818 -0.208 8.524 1.00 0.00 C ATOM 1886 O THR A 121 -19.144 0.422 9.339 1.00 0.00 O ATOM 1887 CB THR A 121 -21.531 -1.455 9.842 1.00 0.00 C ATOM 1888 OG1 THR A 121 -21.968 -2.749 10.272 1.00 0.00 O ATOM 1889 CG2 THR A 121 -22.690 -0.713 9.192 1.00 0.00 C ATOM 0 H THR A 121 -18.769 -2.018 10.168 1.00 0.00 H new ATOM 0 HA THR A 121 -20.703 -2.077 7.949 1.00 0.00 H new ATOM 0 HB THR A 121 -21.191 -0.882 10.705 1.00 0.00 H new ATOM 0 HG1 THR A 121 -22.717 -2.651 10.897 1.00 0.00 H new ATOM 0 HG21 THR A 121 -23.511 -0.626 9.903 1.00 0.00 H new ATOM 0 HG22 THR A 121 -22.362 0.283 8.892 1.00 0.00 H new ATOM 0 HG23 THR A 121 -23.028 -1.263 8.314 1.00 0.00 H new ATOM 1897 N GLN A 122 -20.124 0.263 7.320 1.00 0.00 N ATOM 1898 CA GLN A 122 -19.674 1.577 6.877 1.00 0.00 C ATOM 1899 C GLN A 122 -20.818 2.357 6.237 1.00 0.00 C ATOM 1900 O GLN A 122 -21.645 1.791 5.522 1.00 0.00 O ATOM 1901 CB GLN A 122 -18.519 1.436 5.883 1.00 0.00 C ATOM 1902 CG GLN A 122 -17.620 2.660 5.817 1.00 0.00 C ATOM 1903 CD GLN A 122 -16.953 2.966 7.144 1.00 0.00 C ATOM 1904 OE1 GLN A 122 -17.575 3.518 8.052 1.00 0.00 O ATOM 1905 NE2 GLN A 122 -15.679 2.609 7.262 1.00 0.00 N ATOM 0 H GLN A 122 -20.682 -0.246 6.634 1.00 0.00 H new ATOM 0 HA GLN A 122 -19.327 2.128 7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -17.918 0.569 6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -18.926 1.241 4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -16.854 2.503 5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -18.209 3.522 5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -15.203 2.154 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -15.177 2.790 8.131 1.00 0.00 H new ATOM 1914 N ASP A 123 -20.858 3.659 6.499 1.00 0.00 N ATOM 1915 CA ASP A 123 -21.900 4.517 5.948 1.00 0.00 C ATOM 1916 C ASP A 123 -21.854 4.518 4.423 1.00 0.00 C ATOM 1917 O ASP A 123 -20.788 4.668 3.825 1.00 0.00 O ATOM 1918 CB ASP A 123 -21.747 5.945 6.476 1.00 0.00 C ATOM 1919 CG ASP A 123 -20.312 6.430 6.425 1.00 0.00 C ATOM 1920 OD1 ASP A 123 -19.571 6.198 7.403 1.00 0.00 O ATOM 1921 OD2 ASP A 123 -19.930 7.042 5.406 1.00 0.00 O ATOM 0 H ASP A 123 -20.181 4.143 7.089 1.00 0.00 H new ATOM 0 HA ASP A 123 -22.866 4.122 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -22.375 6.615 5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -22.106 5.990 7.504 1.00 0.00 H new TER 1926 ASP A 123