USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 846 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 NoAdj-H: A 55 HIS HD1 : A 55 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 99 SER OG : rot 180:sc= -0.183 USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 62 LYS NZ :NH3+ 169:sc= -0.575 (180deg=-0.336) USER MOD Set 3.2: A 65 GLN : amide:sc= -0.463 K(o=-1,f=-9!) USER MOD Set 4.1: A 19 SER OG : rot 160:sc= -0.408 USER MOD Set 4.2: A 31 ASN : amide:sc= -0.0983 X(o=-0.51,f=-0.56) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 HIS : no HD1:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 163:sc= 1.07 (180deg=0.81) USER MOD Single : A 15 TYR OH : rot 60:sc= 0.0792 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -140:sc= -0.123 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0091 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 160:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -119:sc= -0.374 (180deg=-1.99!) USER MOD Single : A 28 SER OG : rot 76:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= 0.534 (180deg=0.0398) USER MOD Single : A 34 ASN : amide:sc= 0.224 X(o=0.22,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.58 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.36) USER MOD Single : A 50 MET CE :methyl -172:sc= -0.0353 (180deg=-0.175) USER MOD Single : A 52 MET CE :methyl -158:sc= -0.217 (180deg=-1.12) USER MOD Single : A 54 ASN : amide:sc= -6.7! C(o=-6.7!,f=-9.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -155:sc= -0.147 (180deg=-0.633) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00894 USER MOD Single : A 77 SER OG : rot -8:sc= 0.334! USER MOD Single : A 83 GLN : amide:sc= 0.137 K(o=0.14,f=-1) USER MOD Single : A 84 GLN :FLIP amide:sc= -1.91 F(o=-2.9!,f=-1.9) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 12:sc= 0.0564 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.05 K(o=-1,f=-2.5!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0664 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 43:sc= 0.0743 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.595 29.577 11.360 1.00 0.00 N ATOM 2 CA GLY A 1 4.800 28.715 10.505 1.00 0.00 C ATOM 3 C GLY A 1 4.878 27.258 10.917 1.00 0.00 C ATOM 4 O GLY A 1 3.881 26.671 11.339 1.00 0.00 O ATOM 0 H1 GLY A 1 5.508 30.562 11.037 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.255 29.503 12.340 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.592 29.285 11.316 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.760 29.042 10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.140 28.817 9.475 1.00 0.00 H new ATOM 8 N SER A 2 6.065 26.672 10.794 1.00 0.00 N ATOM 9 CA SER A 2 6.267 25.273 11.152 1.00 0.00 C ATOM 10 C SER A 2 7.574 25.092 11.919 1.00 0.00 C ATOM 11 O SER A 2 8.460 25.945 11.867 1.00 0.00 O ATOM 12 CB SER A 2 6.274 24.399 9.896 1.00 0.00 C ATOM 13 OG SER A 2 4.992 24.361 9.294 1.00 0.00 O ATOM 0 H SER A 2 6.901 27.144 10.449 1.00 0.00 H new ATOM 0 HA SER A 2 5.443 24.965 11.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.002 24.786 9.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.588 23.388 10.155 1.00 0.00 H new ATOM 0 HG SER A 2 5.023 23.798 8.493 1.00 0.00 H new ATOM 19 N SER A 3 7.685 23.975 12.631 1.00 0.00 N ATOM 20 CA SER A 3 8.881 23.683 13.412 1.00 0.00 C ATOM 21 C SER A 3 9.458 22.323 13.033 1.00 0.00 C ATOM 22 O SER A 3 8.823 21.288 13.232 1.00 0.00 O ATOM 23 CB SER A 3 8.559 23.713 14.907 1.00 0.00 C ATOM 24 OG SER A 3 9.705 24.051 15.669 1.00 0.00 O ATOM 0 H SER A 3 6.962 23.258 12.683 1.00 0.00 H new ATOM 0 HA SER A 3 9.625 24.449 13.192 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.766 24.436 15.097 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.184 22.739 15.221 1.00 0.00 H new ATOM 0 HG SER A 3 9.472 24.065 16.621 1.00 0.00 H new ATOM 30 N GLY A 4 10.669 22.333 12.483 1.00 0.00 N ATOM 31 CA GLY A 4 11.313 21.095 12.084 1.00 0.00 C ATOM 32 C GLY A 4 10.772 20.556 10.774 1.00 0.00 C ATOM 33 O GLY A 4 10.959 21.164 9.720 1.00 0.00 O ATOM 0 H GLY A 4 11.215 23.176 12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.386 21.261 11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.174 20.348 12.866 1.00 0.00 H new ATOM 37 N SER A 5 10.100 19.411 10.840 1.00 0.00 N ATOM 38 CA SER A 5 9.535 18.787 9.650 1.00 0.00 C ATOM 39 C SER A 5 10.434 19.014 8.438 1.00 0.00 C ATOM 40 O SER A 5 9.958 19.334 7.349 1.00 0.00 O ATOM 41 CB SER A 5 8.136 19.342 9.372 1.00 0.00 C ATOM 42 OG SER A 5 8.190 20.722 9.052 1.00 0.00 O ATOM 0 H SER A 5 9.934 18.897 11.705 1.00 0.00 H new ATOM 0 HA SER A 5 9.463 17.715 9.832 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.680 18.792 8.549 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.502 19.192 10.246 1.00 0.00 H new ATOM 0 HG SER A 5 7.284 21.053 8.877 1.00 0.00 H new ATOM 48 N SER A 6 11.737 18.847 8.637 1.00 0.00 N ATOM 49 CA SER A 6 12.705 19.037 7.563 1.00 0.00 C ATOM 50 C SER A 6 13.208 17.694 7.041 1.00 0.00 C ATOM 51 O SER A 6 14.249 17.199 7.470 1.00 0.00 O ATOM 52 CB SER A 6 13.884 19.880 8.053 1.00 0.00 C ATOM 53 OG SER A 6 14.603 20.433 6.964 1.00 0.00 O ATOM 0 H SER A 6 12.147 18.580 9.532 1.00 0.00 H new ATOM 0 HA SER A 6 12.207 19.561 6.747 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.520 20.681 8.697 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.550 19.263 8.657 1.00 0.00 H new ATOM 0 HG SER A 6 15.350 20.968 7.304 1.00 0.00 H new ATOM 59 N GLY A 7 12.459 17.110 6.111 1.00 0.00 N ATOM 60 CA GLY A 7 12.843 15.830 5.545 1.00 0.00 C ATOM 61 C GLY A 7 11.745 14.792 5.659 1.00 0.00 C ATOM 62 O GLY A 7 11.802 13.956 6.560 1.00 0.00 O ATOM 0 H GLY A 7 11.593 17.500 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.104 15.964 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.737 15.466 6.052 1.00 0.00 H new ATOM 66 N HIS A 8 10.775 14.860 4.759 1.00 0.00 N ATOM 67 CA HIS A 8 9.671 13.915 4.776 1.00 0.00 C ATOM 68 C HIS A 8 9.808 12.944 3.602 1.00 0.00 C ATOM 69 O HIS A 8 10.081 13.328 2.464 1.00 0.00 O ATOM 70 CB HIS A 8 8.328 14.649 4.784 1.00 0.00 C ATOM 71 CG HIS A 8 7.810 14.966 6.167 1.00 0.00 C ATOM 72 ND1 HIS A 8 8.555 15.658 7.106 1.00 0.00 N ATOM 73 CD2 HIS A 8 6.615 14.680 6.758 1.00 0.00 C ATOM 74 CE1 HIS A 8 7.831 15.776 8.210 1.00 0.00 C ATOM 75 NE2 HIS A 8 6.629 15.169 7.992 1.00 0.00 N ATOM 0 H HIS A 8 10.731 15.555 4.013 1.00 0.00 H new ATOM 0 HA HIS A 8 9.705 13.328 5.694 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.430 15.578 4.223 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.590 14.041 4.261 1.00 0.00 H new ATOM 0 HD2 HIS A 8 5.796 14.146 6.300 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.139 16.266 9.122 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.867 15.102 8.666 1.00 0.00 H new ATOM 83 N LYS A 9 9.611 11.665 3.905 1.00 0.00 N ATOM 84 CA LYS A 9 9.705 10.616 2.897 1.00 0.00 C ATOM 85 C LYS A 9 8.664 10.820 1.801 1.00 0.00 C ATOM 86 O LYS A 9 7.525 11.211 2.058 1.00 0.00 O ATOM 87 CB LYS A 9 9.519 9.241 3.543 1.00 0.00 C ATOM 88 CG LYS A 9 10.794 8.672 4.140 1.00 0.00 C ATOM 89 CD LYS A 9 10.501 7.781 5.336 1.00 0.00 C ATOM 90 CE LYS A 9 11.729 7.608 6.216 1.00 0.00 C ATOM 91 NZ LYS A 9 12.652 6.568 5.682 1.00 0.00 N ATOM 0 H LYS A 9 9.385 11.330 4.842 1.00 0.00 H new ATOM 0 HA LYS A 9 10.696 10.667 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.763 9.316 4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.136 8.546 2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.328 8.100 3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.450 9.488 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.690 8.212 5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.160 6.805 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.258 8.558 6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.418 7.334 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.587 6.673 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.272 5.624 5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.742 6.680 4.652 1.00 0.00 H new ATOM 105 N PRO A 10 9.061 10.548 0.549 1.00 0.00 N ATOM 106 CA PRO A 10 8.176 10.693 -0.611 1.00 0.00 C ATOM 107 C PRO A 10 7.069 9.644 -0.629 1.00 0.00 C ATOM 108 O PRO A 10 5.944 9.924 -1.044 1.00 0.00 O ATOM 109 CB PRO A 10 9.117 10.498 -1.802 1.00 0.00 C ATOM 110 CG PRO A 10 10.236 9.671 -1.269 1.00 0.00 C ATOM 111 CD PRO A 10 10.404 10.079 0.169 1.00 0.00 C ATOM 0 HA PRO A 10 7.659 11.653 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.612 9.996 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.477 11.454 -2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.008 8.608 -1.349 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.152 9.844 -1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.728 9.243 0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.151 10.866 0.279 1.00 0.00 H new ATOM 119 N TRP A 11 7.395 8.439 -0.178 1.00 0.00 N ATOM 120 CA TRP A 11 6.427 7.348 -0.143 1.00 0.00 C ATOM 121 C TRP A 11 6.171 6.893 1.290 1.00 0.00 C ATOM 122 O TRP A 11 7.040 7.014 2.153 1.00 0.00 O ATOM 123 CB TRP A 11 6.923 6.171 -0.984 1.00 0.00 C ATOM 124 CG TRP A 11 6.988 6.475 -2.451 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.065 6.952 -3.142 1.00 0.00 C ATOM 126 CD2 TRP A 11 5.931 6.323 -3.405 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.741 7.106 -4.468 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.438 6.726 -4.655 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.607 5.883 -3.324 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.666 6.703 -5.814 1.00 0.00 C ATOM 131 CZ3 TRP A 11 3.842 5.861 -4.475 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.373 6.269 -5.706 1.00 0.00 C ATOM 0 H TRP A 11 8.322 8.192 0.169 1.00 0.00 H new ATOM 0 HA TRP A 11 5.489 7.714 -0.561 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.914 5.877 -0.637 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.264 5.317 -0.826 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.029 7.175 -2.710 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.369 7.448 -5.196 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.189 5.566 -2.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.073 7.016 -6.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.817 5.524 -4.425 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.749 6.240 -6.587 1.00 0.00 H new ATOM 143 N ARG A 12 4.975 6.370 1.535 1.00 0.00 N ATOM 144 CA ARG A 12 4.606 5.897 2.864 1.00 0.00 C ATOM 145 C ARG A 12 4.153 4.441 2.817 1.00 0.00 C ATOM 146 O ARG A 12 3.672 3.963 1.790 1.00 0.00 O ATOM 147 CB ARG A 12 3.493 6.770 3.447 1.00 0.00 C ATOM 148 CG ARG A 12 2.124 6.494 2.847 1.00 0.00 C ATOM 149 CD ARG A 12 1.013 6.746 3.854 1.00 0.00 C ATOM 150 NE ARG A 12 0.475 8.100 3.748 1.00 0.00 N ATOM 151 CZ ARG A 12 -0.188 8.705 4.727 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.393 8.081 5.879 1.00 0.00 N ATOM 153 NH2 ARG A 12 -0.647 9.938 4.556 1.00 0.00 N ATOM 0 H ARG A 12 4.245 6.263 0.831 1.00 0.00 H new ATOM 0 HA ARG A 12 5.486 5.965 3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.446 6.613 4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.745 7.819 3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.974 7.127 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.078 5.461 2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.211 6.024 3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.394 6.585 4.862 1.00 0.00 H new ATOM 0 HE ARG A 12 0.616 8.608 2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.041 7.133 6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.903 8.549 6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.491 10.422 3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.156 10.402 5.309 1.00 0.00 H new ATOM 167 N ALA A 13 4.311 3.741 3.936 1.00 0.00 N ATOM 168 CA ALA A 13 3.917 2.341 4.023 1.00 0.00 C ATOM 169 C ALA A 13 3.171 2.060 5.323 1.00 0.00 C ATOM 170 O ALA A 13 3.720 2.223 6.412 1.00 0.00 O ATOM 171 CB ALA A 13 5.139 1.441 3.909 1.00 0.00 C ATOM 0 H ALA A 13 4.709 4.121 4.795 1.00 0.00 H new ATOM 0 HA ALA A 13 3.242 2.127 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.830 0.398 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.630 1.614 2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.833 1.666 4.718 1.00 0.00 H new ATOM 177 N GLU A 14 1.916 1.638 5.200 1.00 0.00 N ATOM 178 CA GLU A 14 1.095 1.336 6.367 1.00 0.00 C ATOM 179 C GLU A 14 -0.174 0.591 5.961 1.00 0.00 C ATOM 180 O GLU A 14 -0.724 0.821 4.884 1.00 0.00 O ATOM 181 CB GLU A 14 0.728 2.624 7.107 1.00 0.00 C ATOM 182 CG GLU A 14 -0.025 3.626 6.248 1.00 0.00 C ATOM 183 CD GLU A 14 -0.145 4.986 6.908 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.813 5.781 6.808 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.197 5.255 7.524 1.00 0.00 O ATOM 0 H GLU A 14 1.446 1.498 4.305 1.00 0.00 H new ATOM 0 HA GLU A 14 1.675 0.696 7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.119 2.373 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.639 3.091 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.485 3.734 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.022 3.240 6.036 1.00 0.00 H new ATOM 192 N TYR A 15 -0.632 -0.301 6.831 1.00 0.00 N ATOM 193 CA TYR A 15 -1.834 -1.083 6.563 1.00 0.00 C ATOM 194 C TYR A 15 -3.089 -0.239 6.766 1.00 0.00 C ATOM 195 O TYR A 15 -3.267 0.387 7.810 1.00 0.00 O ATOM 196 CB TYR A 15 -1.881 -2.313 7.472 1.00 0.00 C ATOM 197 CG TYR A 15 -0.909 -3.400 7.070 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.229 -4.308 6.067 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.327 -3.519 7.693 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.345 -5.303 5.697 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.217 -4.510 7.328 1.00 0.00 C ATOM 202 CZ TYR A 15 0.877 -5.400 6.330 1.00 0.00 C ATOM 203 OH TYR A 15 1.761 -6.389 5.965 1.00 0.00 O ATOM 0 H TYR A 15 -0.190 -0.501 7.728 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.801 -1.409 5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.667 -2.006 8.496 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.892 -2.721 7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.184 -4.234 5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.596 -2.825 8.476 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.609 -6.001 4.916 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.175 -4.588 7.821 1.00 0.00 H new ATOM 0 HH TYR A 15 1.986 -6.292 5.016 1.00 0.00 H new ATOM 213 N ALA A 16 -3.956 -0.229 5.758 1.00 0.00 N ATOM 214 CA ALA A 16 -5.195 0.535 5.825 1.00 0.00 C ATOM 215 C ALA A 16 -6.002 0.165 7.065 1.00 0.00 C ATOM 216 O ALA A 16 -5.852 -0.928 7.614 1.00 0.00 O ATOM 217 CB ALA A 16 -6.023 0.310 4.568 1.00 0.00 C ATOM 0 H ALA A 16 -3.823 -0.741 4.886 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.937 1.592 5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.946 0.887 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.454 0.631 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.263 -0.749 4.475 1.00 0.00 H new ATOM 223 N LYS A 17 -6.858 1.081 7.504 1.00 0.00 N ATOM 224 CA LYS A 17 -7.690 0.852 8.679 1.00 0.00 C ATOM 225 C LYS A 17 -9.149 0.652 8.283 1.00 0.00 C ATOM 226 O LYS A 17 -9.907 -0.016 8.986 1.00 0.00 O ATOM 227 CB LYS A 17 -7.571 2.028 9.651 1.00 0.00 C ATOM 228 CG LYS A 17 -6.292 2.013 10.470 1.00 0.00 C ATOM 229 CD LYS A 17 -6.348 3.016 11.611 1.00 0.00 C ATOM 230 CE LYS A 17 -5.106 2.936 12.485 1.00 0.00 C ATOM 231 NZ LYS A 17 -5.382 3.371 13.882 1.00 0.00 N ATOM 0 H LYS A 17 -6.994 1.991 7.063 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.338 -0.055 9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.621 2.960 9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.426 2.017 10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.128 1.013 10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.443 2.241 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.445 4.024 11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.234 2.829 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.731 1.912 12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.321 3.560 12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.511 3.302 14.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.715 4.356 13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.113 2.759 14.298 1.00 0.00 H new ATOM 245 N SER A 18 -9.535 1.234 7.152 1.00 0.00 N ATOM 246 CA SER A 18 -10.905 1.122 6.663 1.00 0.00 C ATOM 247 C SER A 18 -10.927 0.928 5.150 1.00 0.00 C ATOM 248 O SER A 18 -9.942 1.198 4.464 1.00 0.00 O ATOM 249 CB SER A 18 -11.708 2.368 7.041 1.00 0.00 C ATOM 250 OG SER A 18 -13.100 2.126 6.944 1.00 0.00 O ATOM 0 H SER A 18 -8.919 1.788 6.557 1.00 0.00 H new ATOM 0 HA SER A 18 -11.361 0.250 7.131 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.458 2.671 8.058 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.433 3.194 6.386 1.00 0.00 H new ATOM 0 HG SER A 18 -13.591 2.937 7.192 1.00 0.00 H new ATOM 256 N SER A 19 -12.060 0.458 4.637 1.00 0.00 N ATOM 257 CA SER A 19 -12.211 0.224 3.206 1.00 0.00 C ATOM 258 C SER A 19 -12.896 1.409 2.531 1.00 0.00 C ATOM 259 O SER A 19 -13.707 1.235 1.621 1.00 0.00 O ATOM 260 CB SER A 19 -13.016 -1.053 2.959 1.00 0.00 C ATOM 261 OG SER A 19 -12.644 -2.075 3.868 1.00 0.00 O ATOM 0 H SER A 19 -12.886 0.232 5.191 1.00 0.00 H new ATOM 0 HA SER A 19 -11.217 0.107 2.775 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.080 -0.841 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.856 -1.395 1.937 1.00 0.00 H new ATOM 0 HG SER A 19 -13.357 -2.745 3.916 1.00 0.00 H new ATOM 267 N ARG A 20 -12.563 2.613 2.983 1.00 0.00 N ATOM 268 CA ARG A 20 -13.146 3.827 2.425 1.00 0.00 C ATOM 269 C ARG A 20 -12.292 4.364 1.280 1.00 0.00 C ATOM 270 O ARG A 20 -12.814 4.872 0.288 1.00 0.00 O ATOM 271 CB ARG A 20 -13.290 4.895 3.511 1.00 0.00 C ATOM 272 CG ARG A 20 -14.391 4.596 4.516 1.00 0.00 C ATOM 273 CD ARG A 20 -15.770 4.814 3.913 1.00 0.00 C ATOM 274 NE ARG A 20 -16.787 5.030 4.939 1.00 0.00 N ATOM 275 CZ ARG A 20 -16.900 6.154 5.637 1.00 0.00 C ATOM 276 NH1 ARG A 20 -16.062 7.159 5.421 1.00 0.00 N ATOM 277 NH2 ARG A 20 -17.852 6.275 6.553 1.00 0.00 N ATOM 0 H ARG A 20 -11.892 2.774 3.734 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.133 3.579 2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.342 4.993 4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.492 5.857 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.302 3.565 4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.270 5.235 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.741 5.674 3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.043 3.949 3.309 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.447 4.276 5.130 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.329 7.069 4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.151 8.021 5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.498 5.504 6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.938 7.139 7.088 1.00 0.00 H new ATOM 291 N SER A 21 -10.975 4.247 1.425 1.00 0.00 N ATOM 292 CA SER A 21 -10.049 4.724 0.406 1.00 0.00 C ATOM 293 C SER A 21 -10.148 3.876 -0.859 1.00 0.00 C ATOM 294 O SER A 21 -10.619 2.739 -0.821 1.00 0.00 O ATOM 295 CB SER A 21 -8.614 4.699 0.938 1.00 0.00 C ATOM 296 OG SER A 21 -8.131 3.371 1.038 1.00 0.00 O ATOM 0 H SER A 21 -10.526 3.826 2.239 1.00 0.00 H new ATOM 0 HA SER A 21 -10.320 5.750 0.157 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.967 5.276 0.277 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.577 5.178 1.917 1.00 0.00 H new ATOM 0 HG SER A 21 -7.607 3.275 1.860 1.00 0.00 H new ATOM 302 N SER A 22 -9.702 4.438 -1.977 1.00 0.00 N ATOM 303 CA SER A 22 -9.744 3.736 -3.255 1.00 0.00 C ATOM 304 C SER A 22 -8.504 4.049 -4.088 1.00 0.00 C ATOM 305 O SER A 22 -8.120 5.209 -4.239 1.00 0.00 O ATOM 306 CB SER A 22 -11.004 4.121 -4.031 1.00 0.00 C ATOM 307 OG SER A 22 -12.126 4.214 -3.170 1.00 0.00 O ATOM 0 H SER A 22 -9.307 5.377 -2.024 1.00 0.00 H new ATOM 0 HA SER A 22 -9.764 2.665 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.848 5.075 -4.534 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.198 3.380 -4.807 1.00 0.00 H new ATOM 0 HG SER A 22 -12.918 4.463 -3.691 1.00 0.00 H new ATOM 313 N CYS A 23 -7.882 3.006 -4.626 1.00 0.00 N ATOM 314 CA CYS A 23 -6.686 3.167 -5.443 1.00 0.00 C ATOM 315 C CYS A 23 -6.954 4.097 -6.623 1.00 0.00 C ATOM 316 O CYS A 23 -8.104 4.337 -6.990 1.00 0.00 O ATOM 317 CB CYS A 23 -6.203 1.807 -5.952 1.00 0.00 C ATOM 318 SG CYS A 23 -4.652 1.876 -6.904 1.00 0.00 S ATOM 0 H CYS A 23 -8.187 2.039 -4.511 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.909 3.612 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.064 1.141 -5.100 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.981 1.368 -6.577 1.00 0.00 H new ATOM 323 N LYS A 24 -5.883 4.618 -7.213 1.00 0.00 N ATOM 324 CA LYS A 24 -6.001 5.521 -8.352 1.00 0.00 C ATOM 325 C LYS A 24 -5.533 4.842 -9.635 1.00 0.00 C ATOM 326 O LYS A 24 -6.057 5.107 -10.717 1.00 0.00 O ATOM 327 CB LYS A 24 -5.184 6.792 -8.108 1.00 0.00 C ATOM 328 CG LYS A 24 -5.714 7.646 -6.969 1.00 0.00 C ATOM 329 CD LYS A 24 -6.729 8.664 -7.460 1.00 0.00 C ATOM 330 CE LYS A 24 -6.059 9.964 -7.876 1.00 0.00 C ATOM 331 NZ LYS A 24 -5.909 10.902 -6.729 1.00 0.00 N ATOM 0 H LYS A 24 -4.924 4.430 -6.921 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.052 5.788 -8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.152 6.515 -7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.171 7.387 -9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.175 7.005 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.885 8.162 -6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.280 8.251 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.455 8.864 -6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.078 9.748 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.647 10.441 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.448 11.776 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.847 11.128 -6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.327 10.457 -5.991 1.00 0.00 H new ATOM 345 N THR A 25 -4.543 3.964 -9.508 1.00 0.00 N ATOM 346 CA THR A 25 -4.004 3.247 -10.656 1.00 0.00 C ATOM 347 C THR A 25 -5.052 2.324 -11.269 1.00 0.00 C ATOM 348 O THR A 25 -5.261 2.324 -12.482 1.00 0.00 O ATOM 349 CB THR A 25 -2.767 2.415 -10.270 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.621 3.266 -10.157 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.500 1.330 -11.302 1.00 0.00 C ATOM 0 H THR A 25 -4.098 3.732 -8.620 1.00 0.00 H new ATOM 0 HA THR A 25 -3.712 3.999 -11.389 1.00 0.00 H new ATOM 0 HB THR A 25 -2.962 1.939 -9.309 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.935 2.821 -9.617 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.622 0.756 -11.007 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.363 0.667 -11.364 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.324 1.789 -12.275 1.00 0.00 H new ATOM 359 N CYS A 26 -5.709 1.538 -10.422 1.00 0.00 N ATOM 360 CA CYS A 26 -6.735 0.610 -10.879 1.00 0.00 C ATOM 361 C CYS A 26 -8.131 1.173 -10.625 1.00 0.00 C ATOM 362 O CYS A 26 -9.113 0.719 -11.212 1.00 0.00 O ATOM 363 CB CYS A 26 -6.583 -0.740 -10.175 1.00 0.00 C ATOM 364 SG CYS A 26 -6.939 -0.691 -8.389 1.00 0.00 S ATOM 0 H CYS A 26 -5.548 1.526 -9.415 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.608 0.469 -11.952 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.249 -1.461 -10.648 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.565 -1.102 -10.322 1.00 0.00 H new ATOM 369 N LYS A 27 -8.210 2.166 -9.746 1.00 0.00 N ATOM 370 CA LYS A 27 -9.483 2.795 -9.414 1.00 0.00 C ATOM 371 C LYS A 27 -10.376 1.835 -8.633 1.00 0.00 C ATOM 372 O LYS A 27 -11.586 1.782 -8.852 1.00 0.00 O ATOM 373 CB LYS A 27 -10.198 3.251 -10.688 1.00 0.00 C ATOM 374 CG LYS A 27 -9.313 4.052 -11.628 1.00 0.00 C ATOM 375 CD LYS A 27 -8.941 5.399 -11.031 1.00 0.00 C ATOM 376 CE LYS A 27 -10.082 6.397 -11.152 1.00 0.00 C ATOM 377 NZ LYS A 27 -10.998 6.337 -9.979 1.00 0.00 N ATOM 0 H LYS A 27 -7.407 2.553 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.279 3.664 -8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.576 2.375 -11.216 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.063 3.855 -10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.407 3.487 -11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.830 4.203 -12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.677 5.272 -9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.058 5.791 -11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.675 7.404 -11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.645 6.196 -12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.953 6.076 -10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.651 5.626 -9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.030 7.268 -9.516 1.00 0.00 H new ATOM 391 N SER A 28 -9.772 1.080 -7.722 1.00 0.00 N ATOM 392 CA SER A 28 -10.512 0.121 -6.910 1.00 0.00 C ATOM 393 C SER A 28 -10.491 0.524 -5.439 1.00 0.00 C ATOM 394 O SER A 28 -9.915 1.548 -5.072 1.00 0.00 O ATOM 395 CB SER A 28 -9.923 -1.281 -7.075 1.00 0.00 C ATOM 396 OG SER A 28 -9.675 -1.573 -8.439 1.00 0.00 O ATOM 0 H SER A 28 -8.771 1.114 -7.527 1.00 0.00 H new ATOM 0 HA SER A 28 -11.547 0.115 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.995 -1.358 -6.509 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.611 -2.019 -6.661 1.00 0.00 H new ATOM 0 HG SER A 28 -8.867 -1.102 -8.733 1.00 0.00 H new ATOM 402 N VAL A 29 -11.125 -0.290 -4.600 1.00 0.00 N ATOM 403 CA VAL A 29 -11.179 -0.020 -3.168 1.00 0.00 C ATOM 404 C VAL A 29 -10.053 -0.737 -2.431 1.00 0.00 C ATOM 405 O VAL A 29 -9.668 -1.848 -2.795 1.00 0.00 O ATOM 406 CB VAL A 29 -12.529 -0.453 -2.566 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.354 -0.887 -1.119 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.546 0.673 -2.675 1.00 0.00 C ATOM 0 H VAL A 29 -11.608 -1.141 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.063 1.057 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.903 -1.306 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.318 -1.189 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.661 -1.727 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.957 -0.056 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.494 0.350 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.181 1.546 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.693 0.931 -3.724 1.00 0.00 H new ATOM 418 N ILE A 30 -9.530 -0.094 -1.392 1.00 0.00 N ATOM 419 CA ILE A 30 -8.450 -0.671 -0.603 1.00 0.00 C ATOM 420 C ILE A 30 -8.929 -1.043 0.796 1.00 0.00 C ATOM 421 O ILE A 30 -8.852 -0.240 1.724 1.00 0.00 O ATOM 422 CB ILE A 30 -7.260 0.300 -0.483 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.758 0.699 -1.873 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.139 -0.333 0.329 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.008 2.012 -1.890 1.00 0.00 C ATOM 0 H ILE A 30 -9.837 0.826 -1.078 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.124 -1.571 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.594 1.199 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.107 -0.087 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.608 0.766 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.306 0.365 0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.504 -0.572 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.804 -1.246 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.682 2.232 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.663 2.810 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.138 1.943 -1.237 1.00 0.00 H new ATOM 437 N ASN A 31 -9.424 -2.269 0.939 1.00 0.00 N ATOM 438 CA ASN A 31 -9.915 -2.749 2.225 1.00 0.00 C ATOM 439 C ASN A 31 -8.829 -2.653 3.293 1.00 0.00 C ATOM 440 O ASN A 31 -7.638 -2.735 2.992 1.00 0.00 O ATOM 441 CB ASN A 31 -10.398 -4.196 2.102 1.00 0.00 C ATOM 442 CG ASN A 31 -11.394 -4.379 0.973 1.00 0.00 C ATOM 443 OD1 ASN A 31 -11.044 -4.855 -0.107 1.00 0.00 O ATOM 444 ND2 ASN A 31 -12.642 -3.999 1.218 1.00 0.00 N ATOM 0 H ASN A 31 -9.495 -2.947 0.180 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.751 -2.118 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.541 -4.849 1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.857 -4.504 3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.356 -4.097 0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.887 -3.609 2.128 1.00 0.00 H new ATOM 451 N LYS A 32 -9.249 -2.480 4.542 1.00 0.00 N ATOM 452 CA LYS A 32 -8.314 -2.375 5.656 1.00 0.00 C ATOM 453 C LYS A 32 -7.532 -3.673 5.835 1.00 0.00 C ATOM 454 O LYS A 32 -7.922 -4.718 5.316 1.00 0.00 O ATOM 455 CB LYS A 32 -9.063 -2.036 6.946 1.00 0.00 C ATOM 456 CG LYS A 32 -9.694 -3.243 7.618 1.00 0.00 C ATOM 457 CD LYS A 32 -11.043 -2.900 8.228 1.00 0.00 C ATOM 458 CE LYS A 32 -10.907 -2.481 9.683 1.00 0.00 C ATOM 459 NZ LYS A 32 -11.950 -1.494 10.077 1.00 0.00 N ATOM 0 H LYS A 32 -10.231 -2.410 4.808 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.608 -1.575 5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.372 -1.562 7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.842 -1.306 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.816 -4.044 6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.027 -3.618 8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.507 -2.095 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.705 -3.763 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.980 -3.361 10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.919 -2.050 9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.132 -1.570 11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.620 -0.533 9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.827 -1.688 9.553 1.00 0.00 H new ATOM 473 N GLU A 33 -6.429 -3.597 6.573 1.00 0.00 N ATOM 474 CA GLU A 33 -5.595 -4.767 6.820 1.00 0.00 C ATOM 475 C GLU A 33 -4.833 -5.168 5.560 1.00 0.00 C ATOM 476 O GLU A 33 -4.453 -6.326 5.394 1.00 0.00 O ATOM 477 CB GLU A 33 -6.451 -5.938 7.306 1.00 0.00 C ATOM 478 CG GLU A 33 -7.553 -5.528 8.268 1.00 0.00 C ATOM 479 CD GLU A 33 -7.842 -6.591 9.311 1.00 0.00 C ATOM 480 OE1 GLU A 33 -8.383 -7.654 8.942 1.00 0.00 O ATOM 481 OE2 GLU A 33 -7.526 -6.359 10.497 1.00 0.00 O ATOM 0 H GLU A 33 -6.093 -2.739 7.010 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.872 -4.509 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.898 -6.433 6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.807 -6.669 7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.268 -4.602 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.463 -5.320 7.705 1.00 0.00 H new ATOM 488 N ASN A 34 -4.616 -4.201 4.674 1.00 0.00 N ATOM 489 CA ASN A 34 -3.901 -4.453 3.428 1.00 0.00 C ATOM 490 C ASN A 34 -2.714 -3.506 3.281 1.00 0.00 C ATOM 491 O ASN A 34 -2.765 -2.356 3.718 1.00 0.00 O ATOM 492 CB ASN A 34 -4.845 -4.295 2.233 1.00 0.00 C ATOM 493 CG ASN A 34 -5.564 -5.585 1.890 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.957 -6.535 1.396 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.865 -5.624 2.152 1.00 0.00 N ATOM 0 H ASN A 34 -4.925 -3.237 4.796 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.526 -5.476 3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.579 -3.520 2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.276 -3.958 1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.402 -6.466 1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.327 -4.812 2.562 1.00 0.00 H new ATOM 502 N PHE A 35 -1.646 -3.997 2.661 1.00 0.00 N ATOM 503 CA PHE A 35 -0.445 -3.196 2.456 1.00 0.00 C ATOM 504 C PHE A 35 -0.589 -2.304 1.226 1.00 0.00 C ATOM 505 O PHE A 35 -0.624 -2.790 0.095 1.00 0.00 O ATOM 506 CB PHE A 35 0.779 -4.102 2.303 1.00 0.00 C ATOM 507 CG PHE A 35 1.940 -3.430 1.628 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.245 -2.106 1.898 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.728 -4.124 0.723 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.313 -1.485 1.279 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.798 -3.508 0.102 1.00 0.00 C ATOM 512 CZ PHE A 35 4.091 -2.187 0.379 1.00 0.00 C ATOM 0 H PHE A 35 -1.588 -4.946 2.292 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.310 -2.560 3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.092 -4.447 3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.498 -4.986 1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.641 -1.552 2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.503 -5.157 0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.539 -0.452 1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.405 -4.060 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.926 -1.704 -0.107 1.00 0.00 H new ATOM 522 N ARG A 36 -0.674 -0.998 1.456 1.00 0.00 N ATOM 523 CA ARG A 36 -0.817 -0.038 0.368 1.00 0.00 C ATOM 524 C ARG A 36 0.341 0.956 0.365 1.00 0.00 C ATOM 525 O ARG A 36 1.269 0.848 1.168 1.00 0.00 O ATOM 526 CB ARG A 36 -2.146 0.710 0.490 1.00 0.00 C ATOM 527 CG ARG A 36 -2.320 1.428 1.818 1.00 0.00 C ATOM 528 CD ARG A 36 -3.412 2.484 1.741 1.00 0.00 C ATOM 529 NE ARG A 36 -3.496 3.274 2.966 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.418 4.207 3.177 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.329 4.465 2.248 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.430 4.885 4.318 1.00 0.00 N ATOM 0 H ARG A 36 -0.646 -0.580 2.386 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.804 -0.588 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.220 1.437 -0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.965 0.003 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.566 0.704 2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.379 1.896 2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.218 3.145 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.371 2.001 1.555 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.809 3.100 3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.323 3.947 1.370 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.036 5.182 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.731 4.690 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.139 5.601 4.478 1.00 0.00 H new ATOM 546 N LEU A 37 0.279 1.924 -0.543 1.00 0.00 N ATOM 547 CA LEU A 37 1.323 2.938 -0.651 1.00 0.00 C ATOM 548 C LEU A 37 0.723 4.303 -0.973 1.00 0.00 C ATOM 549 O LEU A 37 -0.173 4.418 -1.808 1.00 0.00 O ATOM 550 CB LEU A 37 2.333 2.545 -1.730 1.00 0.00 C ATOM 551 CG LEU A 37 3.280 1.398 -1.377 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.047 0.940 -2.608 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.240 1.819 -0.274 1.00 0.00 C ATOM 0 H LEU A 37 -0.482 2.028 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 37 1.834 3.003 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.784 2.272 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.932 3.422 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 37 2.685 0.560 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.716 0.123 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.345 0.597 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.631 1.771 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.906 0.990 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.828 2.673 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.674 2.096 0.615 1.00 0.00 H new ATOM 565 N GLY A 38 1.226 5.337 -0.305 1.00 0.00 N ATOM 566 CA GLY A 38 0.730 6.681 -0.535 1.00 0.00 C ATOM 567 C GLY A 38 1.830 7.646 -0.930 1.00 0.00 C ATOM 568 O GLY A 38 2.710 7.959 -0.128 1.00 0.00 O ATOM 0 H GLY A 38 1.968 5.267 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.026 6.656 -1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.240 7.044 0.369 1.00 0.00 H new ATOM 572 N LYS A 39 1.784 8.119 -2.171 1.00 0.00 N ATOM 573 CA LYS A 39 2.784 9.053 -2.673 1.00 0.00 C ATOM 574 C LYS A 39 2.536 10.458 -2.133 1.00 0.00 C ATOM 575 O LYS A 39 1.663 11.177 -2.621 1.00 0.00 O ATOM 576 CB LYS A 39 2.771 9.074 -4.203 1.00 0.00 C ATOM 577 CG LYS A 39 3.875 9.923 -4.809 1.00 0.00 C ATOM 578 CD LYS A 39 4.071 9.612 -6.284 1.00 0.00 C ATOM 579 CE LYS A 39 5.492 9.916 -6.733 1.00 0.00 C ATOM 580 NZ LYS A 39 5.548 10.315 -8.166 1.00 0.00 N ATOM 0 H LYS A 39 1.063 7.870 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 39 3.762 8.718 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.865 8.053 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.806 9.449 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.632 10.979 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.807 9.747 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.847 8.561 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.368 10.197 -6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.904 10.715 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.118 9.038 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.533 10.514 -8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.178 9.542 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.971 11.168 -8.312 1.00 0.00 H new ATOM 594 N LEU A 40 3.309 10.844 -1.123 1.00 0.00 N ATOM 595 CA LEU A 40 3.174 12.164 -0.518 1.00 0.00 C ATOM 596 C LEU A 40 3.685 13.250 -1.459 1.00 0.00 C ATOM 597 O LEU A 40 4.892 13.408 -1.644 1.00 0.00 O ATOM 598 CB LEU A 40 3.937 12.220 0.807 1.00 0.00 C ATOM 599 CG LEU A 40 3.570 11.153 1.839 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.428 11.299 3.086 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.092 11.239 2.192 1.00 0.00 C ATOM 0 H LEU A 40 4.035 10.261 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 40 2.116 12.343 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.003 12.139 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.776 13.201 1.255 1.00 0.00 H new ATOM 0 HG LEU A 40 3.762 10.172 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.153 10.531 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.479 11.186 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.268 12.284 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.848 10.472 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.874 12.223 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.494 11.083 1.294 1.00 0.00 H new ATOM 613 N VAL A 41 2.759 13.998 -2.050 1.00 0.00 N ATOM 614 CA VAL A 41 3.116 15.071 -2.970 1.00 0.00 C ATOM 615 C VAL A 41 2.888 16.438 -2.334 1.00 0.00 C ATOM 616 O VAL A 41 2.045 16.589 -1.451 1.00 0.00 O ATOM 617 CB VAL A 41 2.305 14.984 -4.276 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.575 13.665 -4.985 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.820 15.153 -3.994 1.00 0.00 C ATOM 0 H VAL A 41 1.756 13.881 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 41 4.175 14.952 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 41 2.620 15.794 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.993 13.621 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.636 13.590 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.289 12.838 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.263 15.089 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.486 14.366 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.645 16.125 -3.534 1.00 0.00 H new ATOM 629 N GLN A 42 3.646 17.430 -2.789 1.00 0.00 N ATOM 630 CA GLN A 42 3.527 18.785 -2.264 1.00 0.00 C ATOM 631 C GLN A 42 2.405 19.544 -2.965 1.00 0.00 C ATOM 632 O GLN A 42 2.540 19.941 -4.123 1.00 0.00 O ATOM 633 CB GLN A 42 4.849 19.537 -2.429 1.00 0.00 C ATOM 634 CG GLN A 42 6.029 18.846 -1.767 1.00 0.00 C ATOM 635 CD GLN A 42 7.331 19.597 -1.963 1.00 0.00 C ATOM 636 OE1 GLN A 42 7.588 20.601 -1.298 1.00 0.00 O ATOM 637 NE2 GLN A 42 8.162 19.114 -2.880 1.00 0.00 N ATOM 0 H GLN A 42 4.349 17.321 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 42 3.287 18.717 -1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.059 19.657 -3.492 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.743 20.538 -2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.832 18.741 -0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.130 17.839 -2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.909 18.279 -3.408 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.053 19.578 -3.056 1.00 0.00 H new ATOM 646 N SER A 43 1.299 19.742 -2.256 1.00 0.00 N ATOM 647 CA SER A 43 0.151 20.450 -2.813 1.00 0.00 C ATOM 648 C SER A 43 0.427 21.948 -2.898 1.00 0.00 C ATOM 649 O SER A 43 1.177 22.501 -2.093 1.00 0.00 O ATOM 650 CB SER A 43 -1.093 20.197 -1.960 1.00 0.00 C ATOM 651 OG SER A 43 -1.646 18.921 -2.231 1.00 0.00 O ATOM 0 H SER A 43 1.173 19.423 -1.296 1.00 0.00 H new ATOM 0 HA SER A 43 -0.025 20.072 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.834 20.268 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.837 20.969 -2.158 1.00 0.00 H new ATOM 0 HG SER A 43 -2.438 18.782 -1.671 1.00 0.00 H new ATOM 657 N THR A 44 -0.186 22.601 -3.881 1.00 0.00 N ATOM 658 CA THR A 44 -0.007 24.035 -4.074 1.00 0.00 C ATOM 659 C THR A 44 -0.149 24.789 -2.757 1.00 0.00 C ATOM 660 O THR A 44 -1.078 24.510 -2.001 1.00 0.00 O ATOM 661 CB THR A 44 -1.023 24.596 -5.086 1.00 0.00 C ATOM 662 OG1 THR A 44 -0.995 26.028 -5.066 1.00 0.00 O ATOM 663 CG2 THR A 44 -2.428 24.107 -4.771 1.00 0.00 C ATOM 0 H THR A 44 -0.811 22.159 -4.556 1.00 0.00 H new ATOM 0 HA THR A 44 1.001 24.178 -4.464 1.00 0.00 H new ATOM 0 HB THR A 44 -0.747 24.241 -6.079 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.643 26.377 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.128 24.517 -5.499 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.453 23.018 -4.816 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.712 24.435 -3.771 1.00 0.00 H new ATOM 671 N HIS A 45 0.763 25.718 -2.513 1.00 0.00 N ATOM 672 CA HIS A 45 0.726 26.500 -1.289 1.00 0.00 C ATOM 673 C HIS A 45 0.495 25.573 -0.095 1.00 0.00 C ATOM 674 O HIS A 45 -0.193 25.910 0.870 1.00 0.00 O ATOM 675 CB HIS A 45 -0.318 27.614 -1.387 1.00 0.00 C ATOM 676 CG HIS A 45 -0.236 28.633 -0.276 1.00 0.00 C ATOM 677 ND1 HIS A 45 0.946 28.936 0.377 1.00 0.00 N ATOM 678 CD2 HIS A 45 -1.199 29.417 0.288 1.00 0.00 C ATOM 679 CE1 HIS A 45 0.694 29.860 1.292 1.00 0.00 C ATOM 680 NE2 HIS A 45 -0.637 30.156 1.236 1.00 0.00 N ATOM 0 H HIS A 45 1.532 25.947 -3.142 1.00 0.00 H new ATOM 0 HA HIS A 45 1.686 26.994 -1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.201 28.124 -2.343 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.312 27.167 -1.384 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.242 29.434 0.010 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.415 30.301 1.964 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.120 30.834 1.826 1.00 0.00 H new ATOM 688 N PHE A 46 1.089 24.388 -0.180 1.00 0.00 N ATOM 689 CA PHE A 46 0.963 23.392 0.877 1.00 0.00 C ATOM 690 C PHE A 46 -0.500 23.176 1.250 1.00 0.00 C ATOM 691 O PHE A 46 -0.851 23.125 2.430 1.00 0.00 O ATOM 692 CB PHE A 46 1.758 23.824 2.111 1.00 0.00 C ATOM 693 CG PHE A 46 3.245 23.707 1.938 1.00 0.00 C ATOM 694 CD1 PHE A 46 3.900 22.524 2.239 1.00 0.00 C ATOM 695 CD2 PHE A 46 3.988 24.781 1.475 1.00 0.00 C ATOM 696 CE1 PHE A 46 5.269 22.413 2.080 1.00 0.00 C ATOM 697 CE2 PHE A 46 5.357 24.676 1.314 1.00 0.00 C ATOM 698 CZ PHE A 46 5.998 23.491 1.618 1.00 0.00 C ATOM 0 H PHE A 46 1.663 24.094 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 46 1.367 22.450 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.508 24.858 2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.451 23.217 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.335 21.678 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.492 25.710 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.767 21.485 2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.925 25.520 0.951 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.068 23.408 1.495 1.00 0.00 H new ATOM 708 N ASP A 47 -1.351 23.050 0.237 1.00 0.00 N ATOM 709 CA ASP A 47 -2.777 22.839 0.458 1.00 0.00 C ATOM 710 C ASP A 47 -3.053 21.403 0.891 1.00 0.00 C ATOM 711 O ASP A 47 -3.380 20.548 0.069 1.00 0.00 O ATOM 712 CB ASP A 47 -3.564 23.163 -0.813 1.00 0.00 C ATOM 713 CG ASP A 47 -4.976 22.612 -0.775 1.00 0.00 C ATOM 714 OD1 ASP A 47 -5.563 22.559 0.326 1.00 0.00 O ATOM 715 OD2 ASP A 47 -5.494 22.234 -1.847 1.00 0.00 O ATOM 0 H ASP A 47 -1.078 23.090 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.100 23.508 1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.602 24.244 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.040 22.753 -1.676 1.00 0.00 H new ATOM 720 N GLY A 48 -2.918 21.145 2.188 1.00 0.00 N ATOM 721 CA GLY A 48 -3.156 19.811 2.708 1.00 0.00 C ATOM 722 C GLY A 48 -2.666 18.727 1.768 1.00 0.00 C ATOM 723 O GLY A 48 -3.418 18.246 0.919 1.00 0.00 O ATOM 0 H GLY A 48 -2.648 21.836 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.657 19.705 3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.223 19.679 2.886 1.00 0.00 H new ATOM 727 N ILE A 49 -1.403 18.343 1.918 1.00 0.00 N ATOM 728 CA ILE A 49 -0.814 17.310 1.075 1.00 0.00 C ATOM 729 C ILE A 49 -1.842 16.244 0.713 1.00 0.00 C ATOM 730 O ILE A 49 -2.630 15.815 1.556 1.00 0.00 O ATOM 731 CB ILE A 49 0.386 16.636 1.766 1.00 0.00 C ATOM 732 CG1 ILE A 49 1.516 17.646 1.975 1.00 0.00 C ATOM 733 CG2 ILE A 49 0.873 15.451 0.946 1.00 0.00 C ATOM 734 CD1 ILE A 49 2.676 17.098 2.776 1.00 0.00 C ATOM 0 H ILE A 49 -0.768 18.732 2.615 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.470 17.803 0.166 1.00 0.00 H new ATOM 0 HB ILE A 49 0.066 16.271 2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.881 17.977 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.118 18.525 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.721 14.985 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.068 14.723 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.179 15.794 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.439 17.868 2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.325 16.793 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.100 16.237 2.259 1.00 0.00 H new ATOM 746 N MET A 50 -1.828 15.818 -0.546 1.00 0.00 N ATOM 747 CA MET A 50 -2.757 14.799 -1.019 1.00 0.00 C ATOM 748 C MET A 50 -2.041 13.471 -1.243 1.00 0.00 C ATOM 749 O MET A 50 -1.399 13.250 -2.270 1.00 0.00 O ATOM 750 CB MET A 50 -3.429 15.254 -2.316 1.00 0.00 C ATOM 751 CG MET A 50 -2.467 15.882 -3.311 1.00 0.00 C ATOM 752 SD MET A 50 -3.299 16.499 -4.787 1.00 0.00 S ATOM 753 CE MET A 50 -1.953 16.473 -5.970 1.00 0.00 C ATOM 0 H MET A 50 -1.183 16.163 -1.257 1.00 0.00 H new ATOM 0 HA MET A 50 -3.520 14.655 -0.253 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.915 14.398 -2.784 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.212 15.973 -2.077 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.936 16.702 -2.829 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.719 15.145 -3.602 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.270 16.959 -6.893 1.00 0.00 H new ATOM 0 HE2 MET A 50 -1.095 17.003 -5.557 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.674 15.441 -6.181 1.00 0.00 H new ATOM 763 N PRO A 51 -2.151 12.566 -0.260 1.00 0.00 N ATOM 764 CA PRO A 51 -1.520 11.244 -0.326 1.00 0.00 C ATOM 765 C PRO A 51 -2.176 10.341 -1.365 1.00 0.00 C ATOM 766 O PRO A 51 -3.253 9.793 -1.134 1.00 0.00 O ATOM 767 CB PRO A 51 -1.730 10.679 1.081 1.00 0.00 C ATOM 768 CG PRO A 51 -2.936 11.385 1.596 1.00 0.00 C ATOM 769 CD PRO A 51 -2.901 12.762 0.993 1.00 0.00 C ATOM 0 HA PRO A 51 -0.473 11.307 -0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.883 9.600 1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.863 10.863 1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.847 10.858 1.312 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.923 11.436 2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.904 13.144 0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.406 13.476 1.651 1.00 0.00 H new ATOM 777 N MET A 52 -1.518 10.189 -2.510 1.00 0.00 N ATOM 778 CA MET A 52 -2.037 9.350 -3.584 1.00 0.00 C ATOM 779 C MET A 52 -2.074 7.886 -3.160 1.00 0.00 C ATOM 780 O MET A 52 -1.070 7.179 -3.249 1.00 0.00 O ATOM 781 CB MET A 52 -1.181 9.508 -4.842 1.00 0.00 C ATOM 782 CG MET A 52 -1.175 10.922 -5.401 1.00 0.00 C ATOM 783 SD MET A 52 -0.961 10.961 -7.191 1.00 0.00 S ATOM 784 CE MET A 52 0.252 9.662 -7.415 1.00 0.00 C ATOM 0 H MET A 52 -0.625 10.636 -2.718 1.00 0.00 H new ATOM 0 HA MET A 52 -3.055 9.672 -3.804 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.157 9.212 -4.614 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.547 8.825 -5.608 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.111 11.415 -5.140 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.373 11.491 -4.931 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.773 9.810 -8.361 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.971 9.691 -6.597 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.249 8.694 -7.424 1.00 0.00 H new ATOM 794 N TRP A 53 -3.236 7.437 -2.700 1.00 0.00 N ATOM 795 CA TRP A 53 -3.403 6.056 -2.262 1.00 0.00 C ATOM 796 C TRP A 53 -3.407 5.104 -3.453 1.00 0.00 C ATOM 797 O TRP A 53 -4.169 5.285 -4.401 1.00 0.00 O ATOM 798 CB TRP A 53 -4.701 5.904 -1.468 1.00 0.00 C ATOM 799 CG TRP A 53 -4.670 6.600 -0.141 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.572 7.513 0.327 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.687 6.441 0.888 1.00 0.00 C ATOM 802 NE1 TRP A 53 -5.209 7.931 1.585 1.00 0.00 N ATOM 803 CE2 TRP A 53 -4.057 7.288 1.952 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.532 5.665 1.015 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -3.311 7.379 3.124 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.793 5.757 2.179 1.00 0.00 C ATOM 807 CH2 TRP A 53 -2.185 6.607 3.221 1.00 0.00 C ATOM 0 H TRP A 53 -4.077 8.009 -2.621 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.560 5.801 -1.619 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.528 6.299 -2.058 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.900 4.844 -1.310 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.443 7.856 -0.212 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.716 8.610 2.153 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.222 5.005 0.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.610 8.035 3.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.897 5.163 2.287 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.587 6.654 4.119 1.00 0.00 H new ATOM 818 N ASN A 54 -2.551 4.089 -3.396 1.00 0.00 N ATOM 819 CA ASN A 54 -2.456 3.108 -4.471 1.00 0.00 C ATOM 820 C ASN A 54 -1.931 1.775 -3.947 1.00 0.00 C ATOM 821 O ASN A 54 -0.953 1.764 -3.201 1.00 0.00 O ATOM 822 CB ASN A 54 -1.543 3.627 -5.584 1.00 0.00 C ATOM 823 CG ASN A 54 -1.786 5.091 -5.896 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.841 5.460 -6.412 1.00 0.00 O ATOM 825 ND2 ASN A 54 -0.808 5.932 -5.582 1.00 0.00 N ATOM 0 H ASN A 54 -1.913 3.924 -2.617 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.456 2.950 -4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.502 3.489 -5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.701 3.035 -6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.914 6.929 -5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.049 5.581 -5.155 1.00 0.00 H new ATOM 832 N HIS A 55 -2.583 0.692 -4.345 1.00 0.00 N ATOM 833 CA HIS A 55 -2.172 -0.631 -3.909 1.00 0.00 C ATOM 834 C HIS A 55 -0.658 -0.780 -4.077 1.00 0.00 C ATOM 835 O HIS A 55 -0.072 -0.384 -5.084 1.00 0.00 O ATOM 836 CB HIS A 55 -2.959 -1.715 -4.648 1.00 0.00 C ATOM 837 CG HIS A 55 -4.447 -1.674 -4.394 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.350 -1.156 -5.307 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.181 -2.092 -3.322 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.568 -1.262 -4.796 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.461 -1.842 -3.566 1.00 0.00 N ATOM 0 H HIS A 55 -3.393 0.704 -4.965 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.399 -0.756 -2.850 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.780 -1.613 -5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.577 -2.692 -4.353 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.787 -2.549 -2.426 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.485 -0.945 -5.270 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -7.237 -2.049 -2.937 1.00 0.00 H new ATOM 849 N ALA A 56 -0.035 -1.365 -3.060 1.00 0.00 N ATOM 850 CA ALA A 56 1.407 -1.581 -3.070 1.00 0.00 C ATOM 851 C ALA A 56 1.833 -2.383 -4.294 1.00 0.00 C ATOM 852 O ALA A 56 3.016 -2.438 -4.631 1.00 0.00 O ATOM 853 CB ALA A 56 1.843 -2.288 -1.795 1.00 0.00 C ATOM 0 H ALA A 56 -0.506 -1.698 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 56 1.895 -0.608 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.922 -2.443 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.581 -1.676 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.339 -3.252 -1.723 1.00 0.00 H new ATOM 859 N SER A 57 0.862 -3.003 -4.957 1.00 0.00 N ATOM 860 CA SER A 57 1.139 -3.806 -6.143 1.00 0.00 C ATOM 861 C SER A 57 0.837 -3.018 -7.415 1.00 0.00 C ATOM 862 O SER A 57 1.335 -3.344 -8.493 1.00 0.00 O ATOM 863 CB SER A 57 0.311 -5.092 -6.118 1.00 0.00 C ATOM 864 OG SER A 57 0.559 -5.881 -7.269 1.00 0.00 O ATOM 0 H SER A 57 -0.123 -2.965 -4.694 1.00 0.00 H new ATOM 0 HA SER A 57 2.198 -4.064 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.550 -5.665 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.749 -4.845 -6.064 1.00 0.00 H new ATOM 0 HG SER A 57 0.019 -6.698 -7.228 1.00 0.00 H new ATOM 870 N CYS A 58 0.019 -1.980 -7.280 1.00 0.00 N ATOM 871 CA CYS A 58 -0.351 -1.145 -8.416 1.00 0.00 C ATOM 872 C CYS A 58 0.765 -0.160 -8.753 1.00 0.00 C ATOM 873 O CYS A 58 0.930 0.235 -9.908 1.00 0.00 O ATOM 874 CB CYS A 58 -1.645 -0.385 -8.118 1.00 0.00 C ATOM 875 SG CYS A 58 -3.153 -1.393 -8.279 1.00 0.00 S ATOM 0 H CYS A 58 -0.401 -1.697 -6.394 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.510 -1.795 -9.276 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.594 0.014 -7.105 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.717 0.467 -8.793 1.00 0.00 H new ATOM 880 N ILE A 59 1.527 0.232 -7.738 1.00 0.00 N ATOM 881 CA ILE A 59 2.627 1.169 -7.926 1.00 0.00 C ATOM 882 C ILE A 59 3.885 0.451 -8.405 1.00 0.00 C ATOM 883 O ILE A 59 4.517 0.865 -9.378 1.00 0.00 O ATOM 884 CB ILE A 59 2.948 1.930 -6.626 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.728 2.729 -6.163 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.143 2.849 -6.831 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.410 3.914 -7.049 1.00 0.00 C ATOM 0 H ILE A 59 1.403 -0.085 -6.777 1.00 0.00 H new ATOM 0 HA ILE A 59 2.307 1.883 -8.685 1.00 0.00 H new ATOM 0 HB ILE A 59 3.200 1.206 -5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.862 2.068 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.899 3.082 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.357 3.380 -5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.012 2.257 -7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.917 3.569 -7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.534 4.434 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.260 4.596 -7.063 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.207 3.567 -8.062 1.00 0.00 H new ATOM 899 N LEU A 60 4.242 -0.627 -7.717 1.00 0.00 N ATOM 900 CA LEU A 60 5.424 -1.405 -8.072 1.00 0.00 C ATOM 901 C LEU A 60 5.392 -1.801 -9.545 1.00 0.00 C ATOM 902 O LEU A 60 6.408 -1.738 -10.238 1.00 0.00 O ATOM 903 CB LEU A 60 5.517 -2.657 -7.198 1.00 0.00 C ATOM 904 CG LEU A 60 5.744 -2.418 -5.705 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.641 -3.724 -4.933 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.097 -1.763 -5.470 1.00 0.00 C ATOM 0 H LEU A 60 3.730 -0.983 -6.910 1.00 0.00 H new ATOM 0 HA LEU A 60 6.303 -0.784 -7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.597 -3.229 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.330 -3.278 -7.574 1.00 0.00 H new ATOM 0 HG LEU A 60 4.968 -1.744 -5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.805 -3.534 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.649 -4.153 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.394 -4.422 -5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.242 -1.600 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.886 -2.413 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.133 -0.806 -5.991 1.00 0.00 H new ATOM 918 N LYS A 61 4.219 -2.207 -10.018 1.00 0.00 N ATOM 919 CA LYS A 61 4.053 -2.610 -11.410 1.00 0.00 C ATOM 920 C LYS A 61 4.424 -1.471 -12.354 1.00 0.00 C ATOM 921 O LYS A 61 4.852 -1.702 -13.485 1.00 0.00 O ATOM 922 CB LYS A 61 2.609 -3.049 -11.666 1.00 0.00 C ATOM 923 CG LYS A 61 1.616 -1.899 -11.674 1.00 0.00 C ATOM 924 CD LYS A 61 0.461 -2.167 -12.625 1.00 0.00 C ATOM 925 CE LYS A 61 -0.756 -1.325 -12.274 1.00 0.00 C ATOM 926 NZ LYS A 61 -1.987 -1.821 -12.949 1.00 0.00 N ATOM 0 H LYS A 61 3.369 -2.266 -9.458 1.00 0.00 H new ATOM 0 HA LYS A 61 4.721 -3.449 -11.602 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.560 -3.567 -12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.315 -3.767 -10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.230 -1.743 -10.667 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.124 -0.980 -11.967 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.772 -1.951 -13.647 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.196 -3.224 -12.589 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.905 -1.335 -11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.576 -0.289 -12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.794 -1.221 -12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.855 -1.788 -13.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.173 -2.801 -12.655 1.00 0.00 H new ATOM 940 N LYS A 62 4.259 -0.239 -11.882 1.00 0.00 N ATOM 941 CA LYS A 62 4.579 0.936 -12.683 1.00 0.00 C ATOM 942 C LYS A 62 6.084 1.182 -12.711 1.00 0.00 C ATOM 943 O LYS A 62 6.861 0.410 -12.148 1.00 0.00 O ATOM 944 CB LYS A 62 3.861 2.168 -12.127 1.00 0.00 C ATOM 945 CG LYS A 62 2.389 1.935 -11.836 1.00 0.00 C ATOM 946 CD LYS A 62 1.874 2.884 -10.767 1.00 0.00 C ATOM 947 CE LYS A 62 1.248 4.127 -11.380 1.00 0.00 C ATOM 948 NZ LYS A 62 2.278 5.063 -11.910 1.00 0.00 N ATOM 0 H LYS A 62 3.905 -0.029 -10.949 1.00 0.00 H new ATOM 0 HA LYS A 62 4.239 0.753 -13.702 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.358 2.485 -11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.956 2.986 -12.841 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.811 2.068 -12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.240 0.905 -11.512 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.137 2.372 -10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.695 3.174 -10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.574 3.835 -12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.645 4.638 -10.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.817 5.800 -12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.786 5.505 -11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.952 4.538 -12.503 1.00 0.00 H new ATOM 962 N THR A 63 6.491 2.263 -13.369 1.00 0.00 N ATOM 963 CA THR A 63 7.903 2.610 -13.471 1.00 0.00 C ATOM 964 C THR A 63 8.172 3.994 -12.890 1.00 0.00 C ATOM 965 O THR A 63 7.260 4.810 -12.755 1.00 0.00 O ATOM 966 CB THR A 63 8.386 2.577 -14.933 1.00 0.00 C ATOM 967 OG1 THR A 63 7.827 1.445 -15.608 1.00 0.00 O ATOM 968 CG2 THR A 63 9.904 2.515 -15.000 1.00 0.00 C ATOM 0 H THR A 63 5.862 2.914 -13.840 1.00 0.00 H new ATOM 0 HA THR A 63 8.454 1.864 -12.898 1.00 0.00 H new ATOM 0 HB THR A 63 8.054 3.492 -15.423 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.138 1.432 -16.537 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.222 2.493 -16.042 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.326 3.393 -14.511 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.254 1.615 -14.495 1.00 0.00 H new ATOM 976 N LYS A 64 9.429 4.252 -12.548 1.00 0.00 N ATOM 977 CA LYS A 64 9.820 5.539 -11.983 1.00 0.00 C ATOM 978 C LYS A 64 8.882 5.942 -10.849 1.00 0.00 C ATOM 979 O LYS A 64 8.314 7.034 -10.861 1.00 0.00 O ATOM 980 CB LYS A 64 9.818 6.617 -13.068 1.00 0.00 C ATOM 981 CG LYS A 64 10.793 6.342 -14.200 1.00 0.00 C ATOM 982 CD LYS A 64 11.234 7.627 -14.881 1.00 0.00 C ATOM 983 CE LYS A 64 11.580 7.392 -16.344 1.00 0.00 C ATOM 984 NZ LYS A 64 10.384 7.512 -17.223 1.00 0.00 N ATOM 0 H LYS A 64 10.195 3.587 -12.652 1.00 0.00 H new ATOM 0 HA LYS A 64 10.828 5.440 -11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.812 6.705 -13.479 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.062 7.578 -12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.666 5.818 -13.810 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.326 5.683 -14.932 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.439 8.370 -14.809 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.101 8.036 -14.362 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.336 8.112 -16.659 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.017 6.400 -16.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.661 7.345 -18.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.673 6.808 -16.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.981 8.467 -17.133 1.00 0.00 H new ATOM 998 N GLN A 65 8.728 5.055 -9.871 1.00 0.00 N ATOM 999 CA GLN A 65 7.860 5.321 -8.730 1.00 0.00 C ATOM 1000 C GLN A 65 8.678 5.521 -7.459 1.00 0.00 C ATOM 1001 O GLN A 65 8.511 6.516 -6.753 1.00 0.00 O ATOM 1002 CB GLN A 65 6.869 4.171 -8.537 1.00 0.00 C ATOM 1003 CG GLN A 65 6.078 3.834 -9.791 1.00 0.00 C ATOM 1004 CD GLN A 65 5.023 4.874 -10.112 1.00 0.00 C ATOM 1005 OE1 GLN A 65 3.968 4.921 -9.480 1.00 0.00 O ATOM 1006 NE2 GLN A 65 5.303 5.715 -11.101 1.00 0.00 N ATOM 0 H GLN A 65 9.192 4.147 -9.846 1.00 0.00 H new ATOM 0 HA GLN A 65 7.307 6.238 -8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.413 3.284 -8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.175 4.431 -7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.762 3.744 -10.635 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.599 2.863 -9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.190 5.640 -11.598 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.631 6.436 -11.363 1.00 0.00 H new ATOM 1015 N ILE A 66 9.561 4.571 -7.173 1.00 0.00 N ATOM 1016 CA ILE A 66 10.405 4.644 -5.988 1.00 0.00 C ATOM 1017 C ILE A 66 11.879 4.502 -6.352 1.00 0.00 C ATOM 1018 O ILE A 66 12.236 3.751 -7.261 1.00 0.00 O ATOM 1019 CB ILE A 66 10.034 3.554 -4.964 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.550 3.645 -4.606 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.895 3.684 -3.717 1.00 0.00 C ATOM 1022 CD1 ILE A 66 8.065 2.500 -3.745 1.00 0.00 C ATOM 0 H ILE A 66 9.710 3.741 -7.747 1.00 0.00 H new ATOM 0 HA ILE A 66 10.236 5.624 -5.541 1.00 0.00 H new ATOM 0 HB ILE A 66 10.221 2.577 -5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.367 4.584 -4.084 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.964 3.672 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.621 2.907 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.945 3.575 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.736 4.664 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.004 2.630 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.215 1.558 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.625 2.485 -2.810 1.00 0.00 H new ATOM 1034 N LYS A 67 12.732 5.227 -5.637 1.00 0.00 N ATOM 1035 CA LYS A 67 14.169 5.180 -5.882 1.00 0.00 C ATOM 1036 C LYS A 67 14.839 4.135 -4.995 1.00 0.00 C ATOM 1037 O LYS A 67 15.642 3.330 -5.467 1.00 0.00 O ATOM 1038 CB LYS A 67 14.795 6.554 -5.630 1.00 0.00 C ATOM 1039 CG LYS A 67 16.191 6.702 -6.209 1.00 0.00 C ATOM 1040 CD LYS A 67 16.833 8.013 -5.788 1.00 0.00 C ATOM 1041 CE LYS A 67 18.351 7.930 -5.833 1.00 0.00 C ATOM 1042 NZ LYS A 67 18.882 6.944 -4.851 1.00 0.00 N ATOM 0 H LYS A 67 12.453 5.855 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 67 14.325 4.901 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.150 7.322 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.835 6.734 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.813 5.869 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.142 6.653 -7.297 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.492 8.814 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.511 8.269 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.670 7.650 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.775 8.913 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.859 7.197 -4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.291 6.953 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.868 5.993 -5.272 1.00 0.00 H new ATOM 1056 N SER A 68 14.502 4.152 -3.710 1.00 0.00 N ATOM 1057 CA SER A 68 15.073 3.207 -2.757 1.00 0.00 C ATOM 1058 C SER A 68 14.101 2.936 -1.612 1.00 0.00 C ATOM 1059 O SER A 68 13.236 3.758 -1.309 1.00 0.00 O ATOM 1060 CB SER A 68 16.394 3.743 -2.204 1.00 0.00 C ATOM 1061 OG SER A 68 16.866 2.936 -1.139 1.00 0.00 O ATOM 0 H SER A 68 13.836 4.810 -3.304 1.00 0.00 H new ATOM 0 HA SER A 68 15.261 2.270 -3.281 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.139 3.774 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.257 4.767 -1.856 1.00 0.00 H new ATOM 0 HG SER A 68 17.713 3.299 -0.804 1.00 0.00 H new ATOM 1067 N VAL A 69 14.251 1.777 -0.980 1.00 0.00 N ATOM 1068 CA VAL A 69 13.389 1.396 0.133 1.00 0.00 C ATOM 1069 C VAL A 69 13.517 2.381 1.289 1.00 0.00 C ATOM 1070 O VAL A 69 12.632 2.474 2.140 1.00 0.00 O ATOM 1071 CB VAL A 69 13.719 -0.020 0.640 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.325 -1.064 -0.395 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.196 -0.131 0.985 1.00 0.00 C ATOM 0 H VAL A 69 14.961 1.085 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 69 12.365 1.410 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 69 13.142 -0.206 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.566 -2.058 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.254 -0.999 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.872 -0.884 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.412 -1.138 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.794 0.075 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.443 0.590 1.764 1.00 0.00 H new ATOM 1083 N ASP A 70 14.624 3.115 1.314 1.00 0.00 N ATOM 1084 CA ASP A 70 14.868 4.095 2.366 1.00 0.00 C ATOM 1085 C ASP A 70 13.914 5.278 2.238 1.00 0.00 C ATOM 1086 O ASP A 70 13.603 5.947 3.224 1.00 0.00 O ATOM 1087 CB ASP A 70 16.316 4.584 2.311 1.00 0.00 C ATOM 1088 CG ASP A 70 16.691 5.422 3.517 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.077 6.493 3.709 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.597 5.007 4.269 1.00 0.00 O ATOM 0 H ASP A 70 15.367 3.050 0.618 1.00 0.00 H new ATOM 0 HA ASP A 70 14.692 3.611 3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.984 3.725 2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.464 5.171 1.404 1.00 0.00 H new ATOM 1095 N ASP A 71 13.453 5.531 1.018 1.00 0.00 N ATOM 1096 CA ASP A 71 12.534 6.634 0.761 1.00 0.00 C ATOM 1097 C ASP A 71 11.136 6.307 1.276 1.00 0.00 C ATOM 1098 O ASP A 71 10.327 7.203 1.518 1.00 0.00 O ATOM 1099 CB ASP A 71 12.480 6.942 -0.737 1.00 0.00 C ATOM 1100 CG ASP A 71 13.635 7.814 -1.190 1.00 0.00 C ATOM 1101 OD1 ASP A 71 13.848 8.881 -0.578 1.00 0.00 O ATOM 1102 OD2 ASP A 71 14.325 7.429 -2.157 1.00 0.00 O ATOM 0 H ASP A 71 13.701 4.987 0.191 1.00 0.00 H new ATOM 0 HA ASP A 71 12.901 7.512 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.492 6.007 -1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.539 7.441 -0.969 1.00 0.00 H new ATOM 1107 N VAL A 72 10.857 5.018 1.440 1.00 0.00 N ATOM 1108 CA VAL A 72 9.557 4.573 1.926 1.00 0.00 C ATOM 1109 C VAL A 72 9.493 4.621 3.449 1.00 0.00 C ATOM 1110 O VAL A 72 10.390 4.129 4.133 1.00 0.00 O ATOM 1111 CB VAL A 72 9.242 3.140 1.456 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.818 2.756 1.829 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.462 3.012 -0.044 1.00 0.00 C ATOM 0 H VAL A 72 11.514 4.263 1.243 1.00 0.00 H new ATOM 0 HA VAL A 72 8.815 5.255 1.512 1.00 0.00 H new ATOM 0 HB VAL A 72 9.921 2.453 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.614 1.741 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.699 2.807 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.119 3.445 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.235 1.994 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.808 3.709 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.501 3.242 -0.280 1.00 0.00 H new ATOM 1123 N GLU A 73 8.427 5.218 3.972 1.00 0.00 N ATOM 1124 CA GLU A 73 8.247 5.331 5.415 1.00 0.00 C ATOM 1125 C GLU A 73 7.422 4.166 5.953 1.00 0.00 C ATOM 1126 O GLU A 73 6.671 3.530 5.215 1.00 0.00 O ATOM 1127 CB GLU A 73 7.568 6.657 5.764 1.00 0.00 C ATOM 1128 CG GLU A 73 7.667 7.022 7.236 1.00 0.00 C ATOM 1129 CD GLU A 73 7.617 8.520 7.470 1.00 0.00 C ATOM 1130 OE1 GLU A 73 6.648 9.160 7.013 1.00 0.00 O ATOM 1131 OE2 GLU A 73 8.549 9.050 8.110 1.00 0.00 O ATOM 0 H GLU A 73 7.676 5.630 3.419 1.00 0.00 H new ATOM 0 HA GLU A 73 9.231 5.302 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.017 7.453 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.517 6.603 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.852 6.546 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.597 6.625 7.643 1.00 0.00 H new ATOM 1138 N GLY A 74 7.568 3.893 7.246 1.00 0.00 N ATOM 1139 CA GLY A 74 6.831 2.805 7.862 1.00 0.00 C ATOM 1140 C GLY A 74 6.938 1.513 7.076 1.00 0.00 C ATOM 1141 O GLY A 74 6.079 0.638 7.186 1.00 0.00 O ATOM 0 H GLY A 74 8.183 4.406 7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.205 2.644 8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.782 3.086 7.952 1.00 0.00 H new ATOM 1145 N ILE A 75 7.995 1.394 6.279 1.00 0.00 N ATOM 1146 CA ILE A 75 8.211 0.201 5.470 1.00 0.00 C ATOM 1147 C ILE A 75 8.700 -0.962 6.327 1.00 0.00 C ATOM 1148 O ILE A 75 8.494 -2.126 5.987 1.00 0.00 O ATOM 1149 CB ILE A 75 9.230 0.459 4.345 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.258 -0.720 3.371 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.613 0.703 4.929 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.030 -0.438 2.102 1.00 0.00 C ATOM 0 H ILE A 75 8.715 2.109 6.176 1.00 0.00 H new ATOM 0 HA ILE A 75 7.250 -0.057 5.025 1.00 0.00 H new ATOM 0 HB ILE A 75 8.925 1.351 3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.699 -1.583 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.235 -0.990 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.322 0.884 4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.582 1.572 5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.927 -0.172 5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.007 -1.318 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.577 0.405 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.064 -0.197 2.351 1.00 0.00 H new ATOM 1164 N GLU A 76 9.349 -0.637 7.441 1.00 0.00 N ATOM 1165 CA GLU A 76 9.867 -1.655 8.347 1.00 0.00 C ATOM 1166 C GLU A 76 8.736 -2.302 9.143 1.00 0.00 C ATOM 1167 O GLU A 76 8.937 -3.310 9.820 1.00 0.00 O ATOM 1168 CB GLU A 76 10.893 -1.044 9.304 1.00 0.00 C ATOM 1169 CG GLU A 76 10.335 0.082 10.157 1.00 0.00 C ATOM 1170 CD GLU A 76 11.145 0.315 11.418 1.00 0.00 C ATOM 1171 OE1 GLU A 76 12.231 0.924 11.321 1.00 0.00 O ATOM 1172 OE2 GLU A 76 10.693 -0.111 12.501 1.00 0.00 O ATOM 0 H GLU A 76 9.528 0.322 7.737 1.00 0.00 H new ATOM 0 HA GLU A 76 10.353 -2.424 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.279 -1.827 9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.737 -0.667 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.311 1.000 9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.305 -0.149 10.429 1.00 0.00 H new ATOM 1179 N SER A 77 7.548 -1.714 9.055 1.00 0.00 N ATOM 1180 CA SER A 77 6.385 -2.229 9.770 1.00 0.00 C ATOM 1181 C SER A 77 5.613 -3.222 8.907 1.00 0.00 C ATOM 1182 O SER A 77 4.735 -3.935 9.394 1.00 0.00 O ATOM 1183 CB SER A 77 5.467 -1.079 10.189 1.00 0.00 C ATOM 1184 OG SER A 77 4.212 -1.564 10.633 1.00 0.00 O ATOM 0 H SER A 77 7.365 -0.881 8.496 1.00 0.00 H new ATOM 0 HA SER A 77 6.738 -2.747 10.662 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.940 -0.503 10.985 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.321 -0.401 9.348 1.00 0.00 H new ATOM 0 HG SER A 77 4.153 -2.527 10.459 1.00 0.00 H new ATOM 1190 N LEU A 78 5.947 -3.264 7.622 1.00 0.00 N ATOM 1191 CA LEU A 78 5.286 -4.169 6.688 1.00 0.00 C ATOM 1192 C LEU A 78 5.808 -5.593 6.850 1.00 0.00 C ATOM 1193 O LEU A 78 6.877 -5.812 7.421 1.00 0.00 O ATOM 1194 CB LEU A 78 5.500 -3.696 5.250 1.00 0.00 C ATOM 1195 CG LEU A 78 5.388 -2.189 5.016 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.789 -1.839 3.591 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.974 -1.708 5.307 1.00 0.00 C ATOM 0 H LEU A 78 6.672 -2.682 7.203 1.00 0.00 H new ATOM 0 HA LEU A 78 4.219 -4.165 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.488 -4.022 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.773 -4.198 4.612 1.00 0.00 H new ATOM 0 HG LEU A 78 6.071 -1.683 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.703 -0.763 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.820 -2.148 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.132 -2.355 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.913 -0.633 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.273 -2.221 4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.723 -1.924 6.345 1.00 0.00 H new ATOM 1209 N ARG A 79 5.048 -6.558 6.341 1.00 0.00 N ATOM 1210 CA ARG A 79 5.435 -7.961 6.428 1.00 0.00 C ATOM 1211 C ARG A 79 6.617 -8.257 5.510 1.00 0.00 C ATOM 1212 O ARG A 79 6.750 -7.661 4.441 1.00 0.00 O ATOM 1213 CB ARG A 79 4.253 -8.861 6.062 1.00 0.00 C ATOM 1214 CG ARG A 79 3.318 -9.143 7.227 1.00 0.00 C ATOM 1215 CD ARG A 79 2.151 -10.021 6.804 1.00 0.00 C ATOM 1216 NE ARG A 79 1.259 -10.320 7.921 1.00 0.00 N ATOM 1217 CZ ARG A 79 -0.004 -10.705 7.771 1.00 0.00 C ATOM 1218 NH1 ARG A 79 -0.520 -10.835 6.557 1.00 0.00 N ATOM 1219 NH2 ARG A 79 -0.752 -10.959 8.836 1.00 0.00 N ATOM 0 H ARG A 79 4.161 -6.394 5.864 1.00 0.00 H new ATOM 0 HA ARG A 79 5.735 -8.166 7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.686 -8.393 5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.633 -9.806 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.871 -9.632 8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.941 -8.202 7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.589 -9.522 6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.531 -10.952 6.384 1.00 0.00 H new ATOM 0 HE ARG A 79 1.626 -10.228 8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.053 -10.639 5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.490 -11.131 6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.358 -10.859 9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.721 -11.254 8.720 1.00 0.00 H new ATOM 1233 N TRP A 80 7.472 -9.180 5.935 1.00 0.00 N ATOM 1234 CA TRP A 80 8.644 -9.555 5.151 1.00 0.00 C ATOM 1235 C TRP A 80 8.323 -9.557 3.660 1.00 0.00 C ATOM 1236 O TRP A 80 8.962 -8.853 2.879 1.00 0.00 O ATOM 1237 CB TRP A 80 9.150 -10.933 5.579 1.00 0.00 C ATOM 1238 CG TRP A 80 10.065 -11.568 4.576 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.289 -11.110 4.179 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.829 -12.775 3.843 1.00 0.00 C ATOM 1241 NE1 TRP A 80 11.827 -11.959 3.242 1.00 0.00 N ATOM 1242 CE2 TRP A 80 10.952 -12.989 3.020 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.779 -13.696 3.803 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.051 -14.085 2.168 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 8.879 -14.784 2.956 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.009 -14.971 2.149 1.00 0.00 C ATOM 0 H TRP A 80 7.376 -9.682 6.817 1.00 0.00 H new ATOM 0 HA TRP A 80 9.425 -8.817 5.334 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.674 -10.840 6.530 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.296 -11.589 5.748 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.764 -10.213 4.547 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.732 -11.841 2.786 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.905 -13.560 4.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.920 -14.231 1.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.073 -15.502 2.916 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.058 -15.832 1.499 1.00 0.00 H new ATOM 1257 N GLU A 81 7.331 -10.353 3.274 1.00 0.00 N ATOM 1258 CA GLU A 81 6.928 -10.447 1.876 1.00 0.00 C ATOM 1259 C GLU A 81 6.699 -9.060 1.282 1.00 0.00 C ATOM 1260 O GLU A 81 7.069 -8.794 0.138 1.00 0.00 O ATOM 1261 CB GLU A 81 5.656 -11.287 1.743 1.00 0.00 C ATOM 1262 CG GLU A 81 4.385 -10.522 2.074 1.00 0.00 C ATOM 1263 CD GLU A 81 3.132 -11.336 1.818 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.191 -12.576 1.960 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.092 -10.735 1.476 1.00 0.00 O ATOM 0 H GLU A 81 6.792 -10.942 3.909 1.00 0.00 H new ATOM 0 HA GLU A 81 7.733 -10.932 1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.586 -11.667 0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.731 -12.152 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.410 -10.219 3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.349 -9.609 1.479 1.00 0.00 H new ATOM 1272 N ASP A 82 6.087 -8.180 2.067 1.00 0.00 N ATOM 1273 CA ASP A 82 5.808 -6.820 1.621 1.00 0.00 C ATOM 1274 C ASP A 82 7.101 -6.031 1.443 1.00 0.00 C ATOM 1275 O ASP A 82 7.348 -5.457 0.383 1.00 0.00 O ATOM 1276 CB ASP A 82 4.895 -6.109 2.621 1.00 0.00 C ATOM 1277 CG ASP A 82 3.556 -6.802 2.776 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.536 -8.050 2.834 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.528 -6.098 2.841 1.00 0.00 O ATOM 0 H ASP A 82 5.774 -8.385 3.016 1.00 0.00 H new ATOM 0 HA ASP A 82 5.302 -6.877 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.391 -6.061 3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.734 -5.082 2.294 1.00 0.00 H new ATOM 1284 N GLN A 83 7.922 -6.007 2.488 1.00 0.00 N ATOM 1285 CA GLN A 83 9.189 -5.286 2.448 1.00 0.00 C ATOM 1286 C GLN A 83 10.039 -5.746 1.268 1.00 0.00 C ATOM 1287 O GLN A 83 10.822 -4.972 0.717 1.00 0.00 O ATOM 1288 CB GLN A 83 9.957 -5.489 3.755 1.00 0.00 C ATOM 1289 CG GLN A 83 9.186 -5.049 4.989 1.00 0.00 C ATOM 1290 CD GLN A 83 10.090 -4.767 6.173 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.063 -4.022 6.062 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.771 -5.364 7.316 1.00 0.00 N ATOM 0 H GLN A 83 7.733 -6.478 3.373 1.00 0.00 H new ATOM 0 HA GLN A 83 8.971 -4.225 2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.215 -6.543 3.855 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.894 -4.935 3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.612 -4.153 4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.469 -5.824 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.955 -5.974 7.362 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.342 -5.212 8.147 1.00 0.00 H new ATOM 1301 N GLN A 84 9.879 -7.009 0.886 1.00 0.00 N ATOM 1302 CA GLN A 84 10.634 -7.571 -0.228 1.00 0.00 C ATOM 1303 C GLN A 84 10.152 -6.997 -1.556 1.00 0.00 C ATOM 1304 O GLN A 84 10.948 -6.742 -2.460 1.00 0.00 O ATOM 1305 CB GLN A 84 10.506 -9.095 -0.240 1.00 0.00 C ATOM 1306 CG GLN A 84 11.028 -9.760 1.023 1.00 0.00 C ATOM 1307 CD GLN A 84 12.497 -10.122 0.928 1.00 0.00 C ATOM 1308 OE1 GLN A 84 12.851 -10.894 -0.093 1.00 0.00 O flip ATOM 1309 NE2 GLN A 84 13.304 -9.713 1.762 1.00 0.00 N flip ATOM 0 H GLN A 84 9.234 -7.662 1.331 1.00 0.00 H new ATOM 0 HA GLN A 84 11.682 -7.303 -0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.458 -9.362 -0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.048 -9.490 -1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.877 -9.091 1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.448 -10.661 1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.988 -9.122 2.531 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.289 -9.965 1.685 1.00 0.00 H new ATOM 1318 N LYS A 85 8.843 -6.796 -1.668 1.00 0.00 N ATOM 1319 CA LYS A 85 8.254 -6.251 -2.885 1.00 0.00 C ATOM 1320 C LYS A 85 8.853 -4.889 -3.218 1.00 0.00 C ATOM 1321 O LYS A 85 8.883 -4.480 -4.379 1.00 0.00 O ATOM 1322 CB LYS A 85 6.736 -6.129 -2.731 1.00 0.00 C ATOM 1323 CG LYS A 85 6.022 -7.468 -2.658 1.00 0.00 C ATOM 1324 CD LYS A 85 4.523 -7.291 -2.487 1.00 0.00 C ATOM 1325 CE LYS A 85 3.912 -8.444 -1.704 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.424 -8.421 -1.754 1.00 0.00 N ATOM 0 H LYS A 85 8.170 -7.003 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 85 8.476 -6.935 -3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.516 -5.560 -1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.339 -5.560 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.221 -8.038 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.418 -8.048 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.323 -6.352 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.049 -7.223 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.274 -9.389 -2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.241 -8.393 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.046 -9.222 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.077 -7.530 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.109 -8.495 -2.742 1.00 0.00 H new ATOM 1340 N ILE A 86 9.329 -4.191 -2.192 1.00 0.00 N ATOM 1341 CA ILE A 86 9.930 -2.876 -2.377 1.00 0.00 C ATOM 1342 C ILE A 86 11.382 -2.993 -2.828 1.00 0.00 C ATOM 1343 O ILE A 86 11.727 -2.613 -3.947 1.00 0.00 O ATOM 1344 CB ILE A 86 9.872 -2.044 -1.082 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.513 -2.214 -0.401 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.141 -0.577 -1.383 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.385 -1.507 -1.119 1.00 0.00 C ATOM 0 H ILE A 86 9.310 -4.514 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 86 9.352 -2.371 -3.151 1.00 0.00 H new ATOM 0 HB ILE A 86 10.645 -2.403 -0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.280 -3.277 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.577 -1.836 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.097 -0.002 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.130 -0.472 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.389 -0.204 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.452 -1.671 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.595 -0.438 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.294 -1.902 -2.131 1.00 0.00 H new ATOM 1359 N ARG A 87 12.228 -3.523 -1.951 1.00 0.00 N ATOM 1360 CA ARG A 87 13.643 -3.691 -2.259 1.00 0.00 C ATOM 1361 C ARG A 87 13.827 -4.465 -3.562 1.00 0.00 C ATOM 1362 O ARG A 87 14.712 -4.157 -4.360 1.00 0.00 O ATOM 1363 CB ARG A 87 14.353 -4.419 -1.116 1.00 0.00 C ATOM 1364 CG ARG A 87 13.618 -5.660 -0.636 1.00 0.00 C ATOM 1365 CD ARG A 87 13.834 -5.894 0.851 1.00 0.00 C ATOM 1366 NE ARG A 87 14.935 -6.820 1.106 1.00 0.00 N ATOM 1367 CZ ARG A 87 16.211 -6.452 1.144 1.00 0.00 C ATOM 1368 NH1 ARG A 87 16.545 -5.184 0.946 1.00 0.00 N ATOM 1369 NH2 ARG A 87 17.155 -7.353 1.382 1.00 0.00 N ATOM 0 H ARG A 87 11.958 -3.844 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 87 14.083 -2.701 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.353 -4.703 -1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.474 -3.732 -0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.552 -5.554 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.964 -6.529 -1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.040 -4.943 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.919 -6.289 1.292 1.00 0.00 H new ATOM 0 HE ARG A 87 14.712 -7.803 1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.821 -4.488 0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.525 -4.904 0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 87 16.901 -8.329 1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 87 18.134 -7.070 1.411 1.00 0.00 H new ATOM 1383 N LYS A 88 12.985 -5.472 -3.770 1.00 0.00 N ATOM 1384 CA LYS A 88 13.053 -6.290 -4.975 1.00 0.00 C ATOM 1385 C LYS A 88 12.530 -5.522 -6.184 1.00 0.00 C ATOM 1386 O LYS A 88 12.447 -6.063 -7.287 1.00 0.00 O ATOM 1387 CB LYS A 88 12.248 -7.578 -4.788 1.00 0.00 C ATOM 1388 CG LYS A 88 12.651 -8.375 -3.559 1.00 0.00 C ATOM 1389 CD LYS A 88 13.728 -9.396 -3.886 1.00 0.00 C ATOM 1390 CE LYS A 88 14.493 -9.817 -2.641 1.00 0.00 C ATOM 1391 NZ LYS A 88 15.058 -11.189 -2.775 1.00 0.00 N ATOM 0 H LYS A 88 12.247 -5.741 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 88 14.098 -6.545 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.189 -7.328 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.369 -8.204 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.014 -7.697 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.777 -8.884 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.272 -10.272 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.421 -8.975 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.300 -9.109 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.829 -9.780 -1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.572 -11.439 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.286 -11.869 -2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.711 -11.218 -3.584 1.00 0.00 H new ATOM 1405 N TYR A 89 12.180 -4.258 -5.971 1.00 0.00 N ATOM 1406 CA TYR A 89 11.665 -3.417 -7.044 1.00 0.00 C ATOM 1407 C TYR A 89 12.617 -2.261 -7.335 1.00 0.00 C ATOM 1408 O TYR A 89 12.842 -1.903 -8.491 1.00 0.00 O ATOM 1409 CB TYR A 89 10.283 -2.873 -6.675 1.00 0.00 C ATOM 1410 CG TYR A 89 9.863 -1.677 -7.499 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.271 -1.840 -8.745 1.00 0.00 C ATOM 1412 CD2 TYR A 89 10.060 -0.383 -7.031 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.886 -0.750 -9.502 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.677 0.713 -7.780 1.00 0.00 C ATOM 1415 CZ TYR A 89 9.091 0.524 -9.015 1.00 0.00 C ATOM 1416 OH TYR A 89 8.710 1.613 -9.764 1.00 0.00 O ATOM 0 H TYR A 89 12.244 -3.794 -5.065 1.00 0.00 H new ATOM 0 HA TYR A 89 11.580 -4.029 -7.942 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.545 -3.666 -6.798 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.280 -2.596 -5.621 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.109 -2.836 -9.129 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.520 -0.232 -6.066 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.427 -0.895 -10.469 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.835 1.712 -7.401 1.00 0.00 H new ATOM 0 HH TYR A 89 8.148 1.316 -10.510 1.00 0.00 H new ATOM 1426 N VAL A 90 13.174 -1.681 -6.277 1.00 0.00 N ATOM 1427 CA VAL A 90 14.104 -0.566 -6.417 1.00 0.00 C ATOM 1428 C VAL A 90 15.473 -1.048 -6.882 1.00 0.00 C ATOM 1429 O VAL A 90 16.164 -0.357 -7.629 1.00 0.00 O ATOM 1430 CB VAL A 90 14.264 0.200 -5.091 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.965 0.897 -4.716 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.714 -0.740 -3.983 1.00 0.00 C ATOM 0 H VAL A 90 12.998 -1.964 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 90 13.685 0.105 -7.167 1.00 0.00 H new ATOM 0 HB VAL A 90 15.032 0.962 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.098 1.433 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.691 1.602 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.174 0.156 -4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.822 -0.181 -3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.972 -1.527 -3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.672 -1.186 -4.251 1.00 0.00 H new ATOM 1442 N GLU A 91 15.859 -2.239 -6.434 1.00 0.00 N ATOM 1443 CA GLU A 91 17.147 -2.813 -6.804 1.00 0.00 C ATOM 1444 C GLU A 91 17.149 -3.247 -8.267 1.00 0.00 C ATOM 1445 O GLU A 91 18.030 -2.866 -9.038 1.00 0.00 O ATOM 1446 CB GLU A 91 17.475 -4.008 -5.906 1.00 0.00 C ATOM 1447 CG GLU A 91 17.667 -3.637 -4.445 1.00 0.00 C ATOM 1448 CD GLU A 91 19.068 -3.139 -4.149 1.00 0.00 C ATOM 1449 OE1 GLU A 91 19.480 -2.130 -4.760 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.753 -3.757 -3.308 1.00 0.00 O ATOM 0 H GLU A 91 15.298 -2.824 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 91 17.910 -2.046 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.672 -4.741 -5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.382 -4.489 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.946 -2.866 -4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.455 -4.506 -3.822 1.00 0.00 H new ATOM 1457 N SER A 92 16.156 -4.047 -8.642 1.00 0.00 N ATOM 1458 CA SER A 92 16.045 -4.537 -10.011 1.00 0.00 C ATOM 1459 C SER A 92 15.331 -3.519 -10.896 1.00 0.00 C ATOM 1460 O SER A 92 14.739 -2.559 -10.404 1.00 0.00 O ATOM 1461 CB SER A 92 15.294 -5.870 -10.039 1.00 0.00 C ATOM 1462 OG SER A 92 15.691 -6.656 -11.149 1.00 0.00 O ATOM 0 H SER A 92 15.417 -4.370 -8.017 1.00 0.00 H new ATOM 0 HA SER A 92 17.052 -4.688 -10.400 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.484 -6.417 -9.116 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.221 -5.685 -10.085 1.00 0.00 H new ATOM 0 HG SER A 92 15.198 -7.503 -11.143 1.00 0.00 H new ATOM 1468 N GLY A 93 15.391 -3.738 -12.206 1.00 0.00 N ATOM 1469 CA GLY A 93 14.747 -2.832 -13.140 1.00 0.00 C ATOM 1470 C GLY A 93 13.245 -2.772 -12.946 1.00 0.00 C ATOM 1471 O GLY A 93 12.544 -3.760 -13.164 1.00 0.00 O ATOM 0 H GLY A 93 15.874 -4.526 -12.637 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.166 -1.833 -13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.966 -3.149 -14.159 1.00 0.00 H new ATOM 1475 N ALA A 94 12.749 -1.610 -12.534 1.00 0.00 N ATOM 1476 CA ALA A 94 11.321 -1.424 -12.311 1.00 0.00 C ATOM 1477 C ALA A 94 10.508 -1.952 -13.489 1.00 0.00 C ATOM 1478 O ALA A 94 10.538 -1.384 -14.580 1.00 0.00 O ATOM 1479 CB ALA A 94 11.010 0.045 -12.069 1.00 0.00 C ATOM 0 H ALA A 94 13.316 -0.783 -12.348 1.00 0.00 H new ATOM 0 HA ALA A 94 11.040 -1.993 -11.425 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.940 0.168 -11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.555 0.392 -11.191 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.313 0.629 -12.938 1.00 0.00 H new ATOM 1485 N GLY A 95 9.783 -3.043 -13.261 1.00 0.00 N ATOM 1486 CA GLY A 95 8.973 -3.629 -14.313 1.00 0.00 C ATOM 1487 C GLY A 95 9.307 -5.087 -14.557 1.00 0.00 C ATOM 1488 O GLY A 95 10.478 -5.456 -14.652 1.00 0.00 O ATOM 0 H GLY A 95 9.742 -3.531 -12.366 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.919 -3.540 -14.048 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.119 -3.067 -15.235 1.00 0.00 H new ATOM 1492 N SER A 96 8.276 -5.919 -14.658 1.00 0.00 N ATOM 1493 CA SER A 96 8.465 -7.347 -14.887 1.00 0.00 C ATOM 1494 C SER A 96 8.003 -7.739 -16.287 1.00 0.00 C ATOM 1495 O SER A 96 8.793 -8.212 -17.103 1.00 0.00 O ATOM 1496 CB SER A 96 7.701 -8.159 -13.840 1.00 0.00 C ATOM 1497 OG SER A 96 8.110 -7.813 -12.528 1.00 0.00 O ATOM 0 H SER A 96 7.301 -5.629 -14.585 1.00 0.00 H new ATOM 0 HA SER A 96 9.529 -7.565 -14.800 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.631 -7.983 -13.949 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.868 -9.223 -14.008 1.00 0.00 H new ATOM 0 HG SER A 96 7.606 -8.345 -11.877 1.00 0.00 H new ATOM 1503 N ASN A 97 6.718 -7.537 -16.558 1.00 0.00 N ATOM 1504 CA ASN A 97 6.149 -7.869 -17.859 1.00 0.00 C ATOM 1505 C ASN A 97 7.074 -7.423 -18.987 1.00 0.00 C ATOM 1506 O ASN A 97 7.702 -6.366 -18.910 1.00 0.00 O ATOM 1507 CB ASN A 97 4.776 -7.214 -18.021 1.00 0.00 C ATOM 1508 CG ASN A 97 4.871 -5.798 -18.555 1.00 0.00 C ATOM 1509 OD1 ASN A 97 4.344 -5.489 -19.625 1.00 0.00 O ATOM 1510 ND2 ASN A 97 5.545 -4.928 -17.811 1.00 0.00 N ATOM 0 H ASN A 97 6.051 -7.145 -15.894 1.00 0.00 H new ATOM 0 HA ASN A 97 6.036 -8.952 -17.912 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.167 -7.814 -18.697 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.266 -7.203 -17.058 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.642 -3.961 -18.120 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.965 -5.227 -16.931 1.00 0.00 H new ATOM 1517 N THR A 98 7.154 -8.235 -20.036 1.00 0.00 N ATOM 1518 CA THR A 98 8.002 -7.925 -21.180 1.00 0.00 C ATOM 1519 C THR A 98 7.543 -6.648 -21.875 1.00 0.00 C ATOM 1520 O THR A 98 8.358 -5.795 -22.227 1.00 0.00 O ATOM 1521 CB THR A 98 8.010 -9.078 -22.202 1.00 0.00 C ATOM 1522 OG1 THR A 98 8.842 -8.738 -23.317 1.00 0.00 O ATOM 1523 CG2 THR A 98 6.600 -9.380 -22.688 1.00 0.00 C ATOM 0 H THR A 98 6.641 -9.113 -20.117 1.00 0.00 H new ATOM 0 HA THR A 98 9.012 -7.783 -20.795 1.00 0.00 H new ATOM 0 HB THR A 98 8.406 -9.967 -21.711 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.843 -9.476 -23.961 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.631 -10.197 -23.409 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.977 -9.666 -21.841 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.181 -8.493 -23.163 1.00 0.00 H new ATOM 1531 N SER A 99 6.234 -6.523 -22.069 1.00 0.00 N ATOM 1532 CA SER A 99 5.668 -5.351 -22.725 1.00 0.00 C ATOM 1533 C SER A 99 6.039 -4.075 -21.974 1.00 0.00 C ATOM 1534 O SER A 99 6.461 -4.121 -20.818 1.00 0.00 O ATOM 1535 CB SER A 99 4.146 -5.477 -22.816 1.00 0.00 C ATOM 1536 OG SER A 99 3.573 -4.326 -23.413 1.00 0.00 O ATOM 0 H SER A 99 5.546 -7.219 -21.781 1.00 0.00 H new ATOM 0 HA SER A 99 6.082 -5.293 -23.731 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.885 -6.361 -23.399 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.730 -5.619 -21.819 1.00 0.00 H new ATOM 0 HG SER A 99 2.600 -4.432 -23.461 1.00 0.00 H new ATOM 1542 N THR A 100 5.879 -2.936 -22.640 1.00 0.00 N ATOM 1543 CA THR A 100 6.198 -1.648 -22.038 1.00 0.00 C ATOM 1544 C THR A 100 4.948 -0.791 -21.878 1.00 0.00 C ATOM 1545 O THR A 100 4.634 -0.332 -20.779 1.00 0.00 O ATOM 1546 CB THR A 100 7.232 -0.875 -22.879 1.00 0.00 C ATOM 1547 OG1 THR A 100 6.792 -0.792 -24.240 1.00 0.00 O ATOM 1548 CG2 THR A 100 8.592 -1.553 -22.821 1.00 0.00 C ATOM 0 H THR A 100 5.530 -2.880 -23.597 1.00 0.00 H new ATOM 0 HA THR A 100 6.622 -1.855 -21.055 1.00 0.00 H new ATOM 0 HB THR A 100 7.327 0.129 -22.466 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.453 -0.298 -24.768 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.305 -0.989 -23.422 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.937 -1.589 -21.788 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.510 -2.567 -23.212 1.00 0.00 H new ATOM 1556 N SER A 101 4.236 -0.579 -22.980 1.00 0.00 N ATOM 1557 CA SER A 101 3.020 0.226 -22.962 1.00 0.00 C ATOM 1558 C SER A 101 3.315 1.646 -22.487 1.00 0.00 C ATOM 1559 O SER A 101 2.555 2.225 -21.711 1.00 0.00 O ATOM 1560 CB SER A 101 1.970 -0.419 -22.056 1.00 0.00 C ATOM 1561 OG SER A 101 1.675 -1.740 -22.477 1.00 0.00 O ATOM 0 H SER A 101 4.480 -0.954 -23.897 1.00 0.00 H new ATOM 0 HA SER A 101 2.631 0.275 -23.979 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.332 -0.434 -21.028 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.060 0.181 -22.065 1.00 0.00 H new ATOM 0 HG SER A 101 1.003 -2.131 -21.881 1.00 0.00 H new ATOM 1567 N THR A 102 4.427 2.202 -22.960 1.00 0.00 N ATOM 1568 CA THR A 102 4.825 3.552 -22.584 1.00 0.00 C ATOM 1569 C THR A 102 4.105 4.594 -23.432 1.00 0.00 C ATOM 1570 O THR A 102 4.255 4.626 -24.653 1.00 0.00 O ATOM 1571 CB THR A 102 6.346 3.751 -22.729 1.00 0.00 C ATOM 1572 OG1 THR A 102 7.044 2.733 -22.003 1.00 0.00 O ATOM 1573 CG2 THR A 102 6.764 5.122 -22.219 1.00 0.00 C ATOM 0 H THR A 102 5.067 1.737 -23.604 1.00 0.00 H new ATOM 0 HA THR A 102 4.547 3.683 -21.538 1.00 0.00 H new ATOM 0 HB THR A 102 6.600 3.682 -23.787 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.010 2.865 -22.101 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.842 5.239 -22.332 1.00 0.00 H new ATOM 0 HG22 THR A 102 6.253 5.895 -22.793 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.497 5.216 -21.166 1.00 0.00 H new ATOM 1581 N GLY A 103 3.323 5.447 -22.777 1.00 0.00 N ATOM 1582 CA GLY A 103 2.592 6.479 -23.488 1.00 0.00 C ATOM 1583 C GLY A 103 2.993 7.876 -23.056 1.00 0.00 C ATOM 1584 O GLY A 103 3.564 8.636 -23.838 1.00 0.00 O ATOM 0 H GLY A 103 3.183 5.441 -21.767 1.00 0.00 H new ATOM 0 HA2 GLY A 103 2.764 6.370 -24.559 1.00 0.00 H new ATOM 0 HA3 GLY A 103 1.523 6.343 -23.321 1.00 0.00 H new ATOM 1588 N THR A 104 2.693 8.217 -21.806 1.00 0.00 N ATOM 1589 CA THR A 104 3.024 9.532 -21.273 1.00 0.00 C ATOM 1590 C THR A 104 3.642 9.422 -19.884 1.00 0.00 C ATOM 1591 O THR A 104 3.089 8.771 -18.997 1.00 0.00 O ATOM 1592 CB THR A 104 1.779 10.436 -21.198 1.00 0.00 C ATOM 1593 OG1 THR A 104 0.733 9.772 -20.480 1.00 0.00 O ATOM 1594 CG2 THR A 104 1.291 10.802 -22.591 1.00 0.00 C ATOM 0 H THR A 104 2.221 7.600 -21.145 1.00 0.00 H new ATOM 0 HA THR A 104 3.748 9.978 -21.956 1.00 0.00 H new ATOM 0 HB THR A 104 2.054 11.352 -20.674 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.108 9.330 -19.690 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.411 11.441 -22.512 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.079 11.334 -23.124 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.033 9.894 -23.136 1.00 0.00 H new ATOM 1602 N SER A 105 4.792 10.062 -19.701 1.00 0.00 N ATOM 1603 CA SER A 105 5.488 10.034 -18.420 1.00 0.00 C ATOM 1604 C SER A 105 4.949 11.112 -17.484 1.00 0.00 C ATOM 1605 O SER A 105 4.660 10.850 -16.316 1.00 0.00 O ATOM 1606 CB SER A 105 6.991 10.229 -18.627 1.00 0.00 C ATOM 1607 OG SER A 105 7.701 10.052 -17.413 1.00 0.00 O ATOM 0 H SER A 105 5.262 10.607 -20.424 1.00 0.00 H new ATOM 0 HA SER A 105 5.314 9.060 -17.963 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.354 9.519 -19.371 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.180 11.228 -19.020 1.00 0.00 H new ATOM 0 HG SER A 105 8.659 10.180 -17.573 1.00 0.00 H new ATOM 1613 N THR A 106 4.815 12.327 -18.007 1.00 0.00 N ATOM 1614 CA THR A 106 4.312 13.446 -17.220 1.00 0.00 C ATOM 1615 C THR A 106 2.978 13.102 -16.566 1.00 0.00 C ATOM 1616 O THR A 106 2.084 12.553 -17.209 1.00 0.00 O ATOM 1617 CB THR A 106 4.136 14.707 -18.086 1.00 0.00 C ATOM 1618 OG1 THR A 106 3.184 14.458 -19.127 1.00 0.00 O ATOM 1619 CG2 THR A 106 5.462 15.134 -18.696 1.00 0.00 C ATOM 0 H THR A 106 5.048 12.561 -18.972 1.00 0.00 H new ATOM 0 HA THR A 106 5.052 13.646 -16.446 1.00 0.00 H new ATOM 0 HB THR A 106 3.772 15.512 -17.447 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.077 15.265 -19.672 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.312 16.027 -19.303 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.175 15.351 -17.901 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.850 14.330 -19.322 1.00 0.00 H new ATOM 1627 N SER A 107 2.851 13.431 -15.284 1.00 0.00 N ATOM 1628 CA SER A 107 1.627 13.154 -14.542 1.00 0.00 C ATOM 1629 C SER A 107 0.605 14.268 -14.745 1.00 0.00 C ATOM 1630 O SER A 107 0.907 15.302 -15.341 1.00 0.00 O ATOM 1631 CB SER A 107 1.934 12.993 -13.052 1.00 0.00 C ATOM 1632 OG SER A 107 2.516 14.172 -12.522 1.00 0.00 O ATOM 0 H SER A 107 3.581 13.889 -14.738 1.00 0.00 H new ATOM 0 HA SER A 107 1.204 12.223 -14.921 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.016 12.762 -12.511 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.611 12.152 -12.906 1.00 0.00 H new ATOM 0 HG SER A 107 2.701 14.045 -11.568 1.00 0.00 H new ATOM 1638 N SER A 108 -0.607 14.048 -14.246 1.00 0.00 N ATOM 1639 CA SER A 108 -1.677 15.031 -14.375 1.00 0.00 C ATOM 1640 C SER A 108 -1.721 15.949 -13.157 1.00 0.00 C ATOM 1641 O SER A 108 -1.924 15.496 -12.031 1.00 0.00 O ATOM 1642 CB SER A 108 -3.025 14.329 -14.548 1.00 0.00 C ATOM 1643 OG SER A 108 -4.031 15.246 -14.943 1.00 0.00 O ATOM 0 H SER A 108 -0.873 13.198 -13.749 1.00 0.00 H new ATOM 0 HA SER A 108 -1.475 15.637 -15.258 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.934 13.540 -15.295 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.312 13.850 -13.612 1.00 0.00 H new ATOM 0 HG SER A 108 -4.882 14.772 -15.048 1.00 0.00 H new ATOM 1649 N SER A 109 -1.530 17.243 -13.393 1.00 0.00 N ATOM 1650 CA SER A 109 -1.544 18.226 -12.316 1.00 0.00 C ATOM 1651 C SER A 109 -2.511 19.363 -12.630 1.00 0.00 C ATOM 1652 O SER A 109 -2.783 19.658 -13.793 1.00 0.00 O ATOM 1653 CB SER A 109 -0.138 18.786 -12.089 1.00 0.00 C ATOM 1654 OG SER A 109 0.046 19.172 -10.738 1.00 0.00 O ATOM 0 H SER A 109 -1.364 17.635 -14.320 1.00 0.00 H new ATOM 0 HA SER A 109 -1.880 17.727 -11.407 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.604 18.035 -12.360 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.024 19.644 -12.741 1.00 0.00 H new ATOM 0 HG SER A 109 0.953 19.525 -10.619 1.00 0.00 H new ATOM 1660 N GLY A 110 -3.029 19.999 -11.583 1.00 0.00 N ATOM 1661 CA GLY A 110 -3.960 21.096 -11.768 1.00 0.00 C ATOM 1662 C GLY A 110 -5.395 20.691 -11.494 1.00 0.00 C ATOM 1663 O GLY A 110 -5.849 19.621 -11.901 1.00 0.00 O ATOM 0 H GLY A 110 -2.820 19.774 -10.610 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.685 21.917 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.880 21.469 -12.789 1.00 0.00 H new ATOM 1667 N PRO A 111 -6.134 21.558 -10.787 1.00 0.00 N ATOM 1668 CA PRO A 111 -7.537 21.306 -10.442 1.00 0.00 C ATOM 1669 C PRO A 111 -8.453 21.367 -11.659 1.00 0.00 C ATOM 1670 O PRO A 111 -8.344 22.273 -12.485 1.00 0.00 O ATOM 1671 CB PRO A 111 -7.870 22.436 -9.465 1.00 0.00 C ATOM 1672 CG PRO A 111 -6.920 23.530 -9.811 1.00 0.00 C ATOM 1673 CD PRO A 111 -5.658 22.852 -10.270 1.00 0.00 C ATOM 0 HA PRO A 111 -7.682 20.309 -10.027 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -8.905 22.761 -9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.744 22.115 -8.431 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.328 24.168 -10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.729 24.168 -8.948 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -5.149 23.430 -11.041 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -4.951 22.722 -9.451 1.00 0.00 H new ATOM 1681 N SER A 112 -9.356 20.397 -11.764 1.00 0.00 N ATOM 1682 CA SER A 112 -10.289 20.339 -12.883 1.00 0.00 C ATOM 1683 C SER A 112 -11.535 21.170 -12.594 1.00 0.00 C ATOM 1684 O SER A 112 -11.905 22.046 -13.377 1.00 0.00 O ATOM 1685 CB SER A 112 -10.684 18.889 -13.169 1.00 0.00 C ATOM 1686 OG SER A 112 -11.031 18.714 -14.532 1.00 0.00 O ATOM 0 H SER A 112 -9.461 19.641 -11.088 1.00 0.00 H new ATOM 0 HA SER A 112 -9.793 20.753 -13.761 1.00 0.00 H new ATOM 0 HB2 SER A 112 -9.857 18.226 -12.913 1.00 0.00 H new ATOM 0 HB3 SER A 112 -11.526 18.607 -12.537 1.00 0.00 H new ATOM 0 HG SER A 112 -11.278 17.779 -14.689 1.00 0.00 H new ATOM 1692 N SER A 113 -12.178 20.889 -11.466 1.00 0.00 N ATOM 1693 CA SER A 113 -13.385 21.608 -11.075 1.00 0.00 C ATOM 1694 C SER A 113 -13.078 22.636 -9.990 1.00 0.00 C ATOM 1695 O SER A 113 -12.748 22.282 -8.859 1.00 0.00 O ATOM 1696 CB SER A 113 -14.450 20.627 -10.578 1.00 0.00 C ATOM 1697 OG SER A 113 -15.037 19.922 -11.657 1.00 0.00 O ATOM 0 H SER A 113 -11.884 20.169 -10.806 1.00 0.00 H new ATOM 0 HA SER A 113 -13.765 22.133 -11.951 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.001 19.921 -9.880 1.00 0.00 H new ATOM 0 HB3 SER A 113 -15.221 21.169 -10.031 1.00 0.00 H new ATOM 0 HG SER A 113 -15.712 19.301 -11.313 1.00 0.00 H new ATOM 1703 N GLY A 114 -13.190 23.912 -10.344 1.00 0.00 N ATOM 1704 CA GLY A 114 -12.921 24.973 -9.391 1.00 0.00 C ATOM 1705 C GLY A 114 -14.085 25.217 -8.451 1.00 0.00 C ATOM 1706 O GLY A 114 -15.147 25.636 -8.909 1.00 0.00 O ATOM 0 H GLY A 114 -13.462 24.230 -11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.035 24.718 -8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.695 25.893 -9.930 1.00 0.00 H new TER 1710 GLY A 114 HETATM 1711 ZN ZN A 200 -4.945 -0.431 -7.171 1.00 0.00 ZN