USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 871 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 Single : A 1 GLY N :NH3+ -173:sc= -0.0828 (180deg=-0.142) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.38 K(o=-0.38,f=-1.5) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 11 THR OG1 : rot -33:sc= 1.13 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -71:sc= 1.26 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=-0.064) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -144:sc= -0.95 (180deg=-1.59) USER MOD Single : A 42 ASN : amide:sc= -0.0895 K(o=-0.089,f=-1.8!) USER MOD Single : A 46 TYR OH : rot -15:sc= -4.37! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.29) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 100:sc= 0.714 USER MOD Single : A 57 SER OG : rot 170:sc= -0.851 USER MOD Single : A 59 ASN : amide:sc= -0.453 K(o=-0.45,f=-6.8!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 64 TYR OH : rot 165:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.0717 X(o=-0.072,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 167:sc=-0.00342 (180deg=-0.222) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -126:sc= -0.435 (180deg=-1.71!) USER MOD Single : A 76 GLN : amide:sc= -1.89! X(o=-1.9!,f=-1.8) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 91 THR OG1 : rot 180:sc= -0.155 USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 SER OG : rot 18:sc= 0.377 USER MOD Single : B 102 SER OG : rot 88:sc= 1.47 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 106 SER OG : rot 33:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.042 -26.622 -13.906 1.00 0.00 N ATOM 2 CA GLY A 1 -26.064 -25.418 -13.031 1.00 0.00 C ATOM 3 C GLY A 1 -24.675 -24.933 -12.667 1.00 0.00 C ATOM 4 O GLY A 1 -24.506 -23.802 -12.212 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.009 -26.840 -14.220 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.442 -26.438 -14.735 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.660 -27.430 -13.375 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.603 -24.617 -13.536 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.615 -25.647 -12.119 1.00 0.00 H new ATOM 10 N VAL A 2 -23.675 -25.788 -12.869 1.00 0.00 N ATOM 11 CA VAL A 2 -22.294 -25.431 -12.559 1.00 0.00 C ATOM 12 C VAL A 2 -22.109 -25.221 -11.060 1.00 0.00 C ATOM 13 O VAL A 2 -23.080 -25.183 -10.303 1.00 0.00 O ATOM 14 CB VAL A 2 -21.852 -24.153 -13.304 1.00 0.00 C ATOM 15 CG1 VAL A 2 -20.353 -24.175 -13.557 1.00 0.00 C ATOM 16 CG2 VAL A 2 -22.614 -23.992 -14.612 1.00 0.00 C ATOM 0 H VAL A 2 -23.795 -26.729 -13.244 1.00 0.00 H new ATOM 0 HA VAL A 2 -21.673 -26.263 -12.891 1.00 0.00 H new ATOM 0 HB VAL A 2 -22.084 -23.296 -12.672 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.059 -23.267 -14.083 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.824 -24.230 -12.605 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.099 -25.044 -14.164 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -22.283 -23.084 -15.116 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -22.423 -24.853 -15.253 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -23.682 -23.923 -14.405 1.00 0.00 H new ATOM 26 N ARG A 3 -20.857 -25.083 -10.636 1.00 0.00 N ATOM 27 CA ARG A 3 -20.544 -24.876 -9.227 1.00 0.00 C ATOM 28 C ARG A 3 -19.502 -23.778 -9.057 1.00 0.00 C ATOM 29 O ARG A 3 -18.589 -23.900 -8.240 1.00 0.00 O ATOM 30 CB ARG A 3 -20.035 -26.178 -8.597 1.00 0.00 C ATOM 31 CG ARG A 3 -21.003 -26.788 -7.596 1.00 0.00 C ATOM 32 CD ARG A 3 -21.365 -25.803 -6.496 1.00 0.00 C ATOM 33 NE ARG A 3 -21.316 -26.417 -5.171 1.00 0.00 N ATOM 34 CZ ARG A 3 -20.190 -26.630 -4.494 1.00 0.00 C ATOM 35 NH1 ARG A 3 -19.020 -26.280 -5.012 1.00 0.00 N ATOM 36 NH2 ARG A 3 -20.235 -27.195 -3.295 1.00 0.00 N ATOM 0 H ARG A 3 -20.042 -25.111 -11.249 1.00 0.00 H new ATOM 0 HA ARG A 3 -21.459 -24.568 -8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.839 -26.902 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -19.085 -25.984 -8.099 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -21.909 -27.107 -8.112 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.557 -27.679 -7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.680 -24.956 -6.528 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -22.366 -25.410 -6.676 1.00 0.00 H new ATOM 0 HE ARG A 3 -22.196 -26.699 -4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -18.980 -25.845 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.160 -26.446 -4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -21.132 -27.466 -2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -19.373 -27.359 -2.776 1.00 0.00 H new ATOM 50 N LYS A 4 -19.631 -22.699 -9.829 1.00 0.00 N ATOM 51 CA LYS A 4 -18.690 -21.602 -9.738 1.00 0.00 C ATOM 52 C LYS A 4 -17.265 -22.057 -10.049 1.00 0.00 C ATOM 53 O LYS A 4 -16.328 -21.290 -9.843 1.00 0.00 O ATOM 54 CB LYS A 4 -18.724 -21.006 -8.327 1.00 0.00 C ATOM 55 CG LYS A 4 -19.772 -19.925 -8.130 1.00 0.00 C ATOM 56 CD LYS A 4 -19.265 -18.841 -7.192 1.00 0.00 C ATOM 57 CE LYS A 4 -19.670 -19.100 -5.750 1.00 0.00 C ATOM 58 NZ LYS A 4 -21.042 -18.601 -5.459 1.00 0.00 N ATOM 0 H LYS A 4 -20.374 -22.569 -10.516 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.983 -20.853 -10.474 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.907 -21.807 -7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.743 -20.591 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.032 -19.486 -9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.683 -20.366 -7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.179 -18.783 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.656 -17.874 -7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.622 -20.170 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.958 -18.616 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.279 -18.797 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.082 -17.576 -5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.725 -19.081 -6.079 1.00 0.00 H new ATOM 72 N GLY A 5 -17.079 -23.306 -10.518 1.00 0.00 N ATOM 73 CA GLY A 5 -15.725 -23.788 -10.794 1.00 0.00 C ATOM 74 C GLY A 5 -14.745 -23.119 -9.856 1.00 0.00 C ATOM 75 O GLY A 5 -13.740 -22.546 -10.275 1.00 0.00 O ATOM 0 H GLY A 5 -17.826 -23.975 -10.706 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.681 -24.870 -10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.456 -23.575 -11.829 1.00 0.00 H new ATOM 79 N TRP A 6 -15.120 -23.119 -8.584 1.00 0.00 N ATOM 80 CA TRP A 6 -14.368 -22.439 -7.547 1.00 0.00 C ATOM 81 C TRP A 6 -13.165 -23.218 -7.018 1.00 0.00 C ATOM 82 O TRP A 6 -12.025 -22.777 -7.147 1.00 0.00 O ATOM 83 CB TRP A 6 -15.331 -22.148 -6.393 1.00 0.00 C ATOM 84 CG TRP A 6 -15.351 -20.715 -5.995 1.00 0.00 C ATOM 85 CD1 TRP A 6 -16.438 -19.906 -5.839 1.00 0.00 C ATOM 86 CD2 TRP A 6 -14.214 -19.925 -5.708 1.00 0.00 C ATOM 87 NE1 TRP A 6 -16.029 -18.648 -5.468 1.00 0.00 N ATOM 88 CE2 TRP A 6 -14.661 -18.640 -5.382 1.00 0.00 C ATOM 89 CE3 TRP A 6 -12.854 -20.193 -5.698 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.786 -17.619 -5.048 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.979 -19.192 -5.369 1.00 0.00 C ATOM 92 CH2 TRP A 6 -12.442 -17.910 -5.045 1.00 0.00 C ATOM 0 H TRP A 6 -15.957 -23.593 -8.245 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.954 -21.533 -7.989 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -16.337 -22.452 -6.682 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -15.050 -22.754 -5.532 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -17.464 -20.208 -5.985 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.641 -17.853 -5.287 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -12.489 -21.179 -5.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -14.146 -16.632 -4.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.918 -19.394 -5.359 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.732 -17.138 -4.789 1.00 0.00 H new ATOM 103 N HIS A 7 -13.423 -24.349 -6.392 1.00 0.00 N ATOM 104 CA HIS A 7 -12.359 -25.151 -5.792 1.00 0.00 C ATOM 105 C HIS A 7 -11.500 -25.875 -6.824 1.00 0.00 C ATOM 106 O HIS A 7 -10.464 -26.450 -6.488 1.00 0.00 O ATOM 107 CB HIS A 7 -12.965 -26.178 -4.848 1.00 0.00 C ATOM 108 CG HIS A 7 -13.743 -25.573 -3.720 1.00 0.00 C ATOM 109 ND1 HIS A 7 -13.944 -24.215 -3.586 1.00 0.00 N ATOM 110 CD2 HIS A 7 -14.373 -26.150 -2.669 1.00 0.00 C ATOM 111 CE1 HIS A 7 -14.661 -23.982 -2.501 1.00 0.00 C ATOM 112 NE2 HIS A 7 -14.936 -25.140 -1.927 1.00 0.00 N ATOM 0 H HIS A 7 -14.359 -24.739 -6.282 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.710 -24.459 -5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.620 -26.839 -5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.167 -26.796 -4.437 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.423 -27.207 -2.454 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -14.970 -23.011 -2.144 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -15.478 -25.264 -1.072 1.00 0.00 H new ATOM 121 N GLU A 8 -11.961 -25.895 -8.059 1.00 0.00 N ATOM 122 CA GLU A 8 -11.268 -26.607 -9.132 1.00 0.00 C ATOM 123 C GLU A 8 -9.751 -26.399 -9.130 1.00 0.00 C ATOM 124 O GLU A 8 -9.003 -27.377 -9.163 1.00 0.00 O ATOM 125 CB GLU A 8 -11.815 -26.180 -10.493 1.00 0.00 C ATOM 126 CG GLU A 8 -12.126 -24.696 -10.602 1.00 0.00 C ATOM 127 CD GLU A 8 -11.177 -23.968 -11.534 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.041 -23.668 -11.110 1.00 0.00 O ATOM 129 OE2 GLU A 8 -11.571 -23.697 -12.688 1.00 0.00 O ATOM 0 H GLU A 8 -12.818 -25.425 -8.353 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.454 -27.665 -8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.090 -26.445 -11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.723 -26.746 -10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.148 -24.568 -10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.074 -24.244 -9.611 1.00 0.00 H new ATOM 136 N HIS A 9 -9.281 -25.154 -9.129 1.00 0.00 N ATOM 137 CA HIS A 9 -7.834 -24.921 -9.169 1.00 0.00 C ATOM 138 C HIS A 9 -7.354 -23.811 -8.235 1.00 0.00 C ATOM 139 O HIS A 9 -6.376 -23.129 -8.540 1.00 0.00 O ATOM 140 CB HIS A 9 -7.398 -24.611 -10.602 1.00 0.00 C ATOM 141 CG HIS A 9 -6.142 -25.314 -11.010 1.00 0.00 C ATOM 142 ND1 HIS A 9 -4.939 -24.664 -11.193 1.00 0.00 N ATOM 143 CD2 HIS A 9 -5.903 -26.622 -11.271 1.00 0.00 C ATOM 144 CE1 HIS A 9 -4.017 -25.540 -11.550 1.00 0.00 C ATOM 145 NE2 HIS A 9 -4.576 -26.735 -11.604 1.00 0.00 N ATOM 0 H HIS A 9 -9.857 -24.313 -9.102 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.371 -25.841 -8.813 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.200 -24.891 -11.286 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.252 -23.536 -10.704 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.623 -27.426 -11.226 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.982 -25.317 -11.762 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -4.099 -27.602 -11.853 1.00 0.00 H new ATOM 154 N VAL A 10 -7.997 -23.649 -7.085 1.00 0.00 N ATOM 155 CA VAL A 10 -7.554 -22.634 -6.128 1.00 0.00 C ATOM 156 C VAL A 10 -6.741 -23.287 -5.022 1.00 0.00 C ATOM 157 O VAL A 10 -5.554 -23.005 -4.860 1.00 0.00 O ATOM 158 CB VAL A 10 -8.717 -21.844 -5.498 1.00 0.00 C ATOM 159 CG1 VAL A 10 -8.186 -20.620 -4.769 1.00 0.00 C ATOM 160 CG2 VAL A 10 -9.725 -21.439 -6.553 1.00 0.00 C ATOM 0 H VAL A 10 -8.809 -24.192 -6.793 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.946 -21.924 -6.689 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.221 -22.488 -4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.017 -20.070 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.501 -20.934 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.659 -19.977 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.537 -20.882 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.238 -20.812 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.126 -22.331 -7.034 1.00 0.00 H new ATOM 170 N THR A 11 -7.386 -24.173 -4.273 1.00 0.00 N ATOM 171 CA THR A 11 -6.723 -24.888 -3.190 1.00 0.00 C ATOM 172 C THR A 11 -6.088 -23.917 -2.196 1.00 0.00 C ATOM 173 O THR A 11 -5.993 -22.718 -2.455 1.00 0.00 O ATOM 174 CB THR A 11 -5.660 -25.833 -3.758 1.00 0.00 C ATOM 175 OG1 THR A 11 -4.448 -25.140 -3.997 1.00 0.00 O ATOM 176 CG2 THR A 11 -6.073 -26.497 -5.058 1.00 0.00 C ATOM 0 H THR A 11 -8.369 -24.414 -4.396 1.00 0.00 H new ATOM 0 HA THR A 11 -7.474 -25.472 -2.658 1.00 0.00 H new ATOM 0 HB THR A 11 -5.532 -26.606 -3.001 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.645 -24.217 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.273 -27.152 -5.402 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.977 -27.083 -4.896 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.266 -25.733 -5.811 1.00 0.00 H new ATOM 184 N GLN A 12 -5.659 -24.447 -1.055 1.00 0.00 N ATOM 185 CA GLN A 12 -5.036 -23.630 -0.019 1.00 0.00 C ATOM 186 C GLN A 12 -3.615 -23.233 -0.411 1.00 0.00 C ATOM 187 O GLN A 12 -3.175 -22.116 -0.137 1.00 0.00 O ATOM 188 CB GLN A 12 -5.017 -24.385 1.311 1.00 0.00 C ATOM 189 CG GLN A 12 -4.378 -25.761 1.219 1.00 0.00 C ATOM 190 CD GLN A 12 -4.044 -26.340 2.580 1.00 0.00 C ATOM 191 OE1 GLN A 12 -4.932 -26.611 3.389 1.00 0.00 O ATOM 192 NE2 GLN A 12 -2.755 -26.534 2.840 1.00 0.00 N ATOM 0 H GLN A 12 -5.731 -25.438 -0.824 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.627 -22.721 0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.477 -23.791 2.049 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.039 -24.492 1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.054 -26.437 0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.468 -25.696 0.622 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.052 -26.295 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.469 -26.922 3.739 1.00 0.00 H new ATOM 201 N ASP A 13 -2.900 -24.155 -1.048 1.00 0.00 N ATOM 202 CA ASP A 13 -1.526 -23.901 -1.470 1.00 0.00 C ATOM 203 C ASP A 13 -1.463 -22.774 -2.496 1.00 0.00 C ATOM 204 O ASP A 13 -0.757 -21.784 -2.301 1.00 0.00 O ATOM 205 CB ASP A 13 -0.909 -25.173 -2.054 1.00 0.00 C ATOM 206 CG ASP A 13 0.566 -25.303 -1.726 1.00 0.00 C ATOM 207 OD1 ASP A 13 1.352 -24.441 -2.172 1.00 0.00 O ATOM 208 OD2 ASP A 13 0.935 -26.266 -1.022 1.00 0.00 O ATOM 0 H ASP A 13 -3.249 -25.084 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.956 -23.595 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.442 -26.042 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.039 -25.173 -3.136 1.00 0.00 H new ATOM 213 N LEU A 14 -2.200 -22.931 -3.591 1.00 0.00 N ATOM 214 CA LEU A 14 -2.220 -21.924 -4.646 1.00 0.00 C ATOM 215 C LEU A 14 -2.756 -20.597 -4.119 1.00 0.00 C ATOM 216 O LEU A 14 -2.311 -19.527 -4.534 1.00 0.00 O ATOM 217 CB LEU A 14 -3.070 -22.405 -5.825 1.00 0.00 C ATOM 218 CG LEU A 14 -2.381 -22.338 -7.188 1.00 0.00 C ATOM 219 CD1 LEU A 14 -1.617 -23.624 -7.464 1.00 0.00 C ATOM 220 CD2 LEU A 14 -3.402 -22.077 -8.287 1.00 0.00 C ATOM 0 H LEU A 14 -2.790 -23.744 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.197 -21.770 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.373 -23.435 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.980 -21.807 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.669 -21.513 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.133 -23.558 -8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.861 -23.771 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.309 -24.466 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.895 -22.032 -9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.136 -22.882 -8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.906 -21.129 -8.098 1.00 0.00 H new ATOM 232 N ARG A 15 -3.715 -20.674 -3.201 1.00 0.00 N ATOM 233 CA ARG A 15 -4.309 -19.479 -2.616 1.00 0.00 C ATOM 234 C ARG A 15 -3.319 -18.774 -1.695 1.00 0.00 C ATOM 235 O ARG A 15 -3.282 -17.546 -1.628 1.00 0.00 O ATOM 236 CB ARG A 15 -5.576 -19.842 -1.839 1.00 0.00 C ATOM 237 CG ARG A 15 -6.352 -18.633 -1.340 1.00 0.00 C ATOM 238 CD ARG A 15 -7.070 -18.932 -0.035 1.00 0.00 C ATOM 239 NE ARG A 15 -8.247 -18.085 0.149 1.00 0.00 N ATOM 240 CZ ARG A 15 -8.844 -17.891 1.322 1.00 0.00 C ATOM 241 NH1 ARG A 15 -8.379 -18.480 2.417 1.00 0.00 N ATOM 242 NH2 ARG A 15 -9.909 -17.105 1.401 1.00 0.00 N ATOM 0 H ARG A 15 -4.096 -21.551 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.570 -18.799 -3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.225 -20.441 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.304 -20.465 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.670 -17.795 -1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.078 -18.328 -2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.371 -19.979 -0.019 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.383 -18.785 0.799 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.633 -17.615 -0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.560 -19.085 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.841 -18.327 3.314 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.270 -16.650 0.563 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.367 -16.956 2.300 1.00 0.00 H new ATOM 256 N SER A 16 -2.516 -19.562 -0.988 1.00 0.00 N ATOM 257 CA SER A 16 -1.522 -19.017 -0.070 1.00 0.00 C ATOM 258 C SER A 16 -0.531 -18.121 -0.808 1.00 0.00 C ATOM 259 O SER A 16 -0.030 -17.144 -0.252 1.00 0.00 O ATOM 260 CB SER A 16 -0.776 -20.149 0.637 1.00 0.00 C ATOM 261 OG SER A 16 0.285 -20.642 -0.163 1.00 0.00 O ATOM 0 H SER A 16 -2.534 -20.581 -1.033 1.00 0.00 H new ATOM 0 HA SER A 16 -2.043 -18.414 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.382 -19.790 1.588 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.470 -20.958 0.865 1.00 0.00 H new ATOM 0 HG SER A 16 -0.082 -21.141 -0.922 1.00 0.00 H new ATOM 267 N HIS A 17 -0.254 -18.462 -2.062 1.00 0.00 N ATOM 268 CA HIS A 17 0.677 -17.690 -2.876 1.00 0.00 C ATOM 269 C HIS A 17 0.060 -16.362 -3.301 1.00 0.00 C ATOM 270 O HIS A 17 0.754 -15.352 -3.417 1.00 0.00 O ATOM 271 CB HIS A 17 1.092 -18.492 -4.111 1.00 0.00 C ATOM 272 CG HIS A 17 2.210 -17.863 -4.884 1.00 0.00 C ATOM 273 ND1 HIS A 17 3.539 -18.041 -4.565 1.00 0.00 N ATOM 274 CD2 HIS A 17 2.192 -17.056 -5.971 1.00 0.00 C ATOM 275 CE1 HIS A 17 4.289 -17.369 -5.420 1.00 0.00 C ATOM 276 NE2 HIS A 17 3.496 -16.764 -6.283 1.00 0.00 N ATOM 0 H HIS A 17 -0.661 -19.268 -2.537 1.00 0.00 H new ATOM 0 HA HIS A 17 1.560 -17.481 -2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.394 -19.492 -3.800 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.228 -18.608 -4.766 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.315 -16.707 -6.495 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.368 -17.323 -5.413 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.802 -16.175 -7.057 1.00 0.00 H new ATOM 285 N LEU A 18 -1.249 -16.372 -3.533 1.00 0.00 N ATOM 286 CA LEU A 18 -1.959 -15.166 -3.946 1.00 0.00 C ATOM 287 C LEU A 18 -2.186 -14.233 -2.762 1.00 0.00 C ATOM 288 O LEU A 18 -2.221 -13.013 -2.918 1.00 0.00 O ATOM 289 CB LEU A 18 -3.300 -15.534 -4.587 1.00 0.00 C ATOM 290 CG LEU A 18 -3.224 -15.938 -6.060 1.00 0.00 C ATOM 291 CD1 LEU A 18 -3.025 -17.440 -6.192 1.00 0.00 C ATOM 292 CD2 LEU A 18 -4.479 -15.497 -6.800 1.00 0.00 C ATOM 0 H LEU A 18 -1.838 -17.199 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.343 -14.646 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.742 -16.356 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.976 -14.684 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.367 -15.438 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.973 -17.709 -7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.097 -17.729 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.862 -17.960 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.407 -15.793 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.352 -15.968 -6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.578 -14.413 -6.735 1.00 0.00 H new ATOM 304 N VAL A 19 -2.341 -14.815 -1.577 1.00 0.00 N ATOM 305 CA VAL A 19 -2.563 -14.033 -0.366 1.00 0.00 C ATOM 306 C VAL A 19 -1.381 -13.112 -0.083 1.00 0.00 C ATOM 307 O VAL A 19 -1.551 -12.013 0.446 1.00 0.00 O ATOM 308 CB VAL A 19 -2.795 -14.943 0.856 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.182 -14.116 2.074 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.859 -15.990 0.551 1.00 0.00 C ATOM 0 H VAL A 19 -2.317 -15.824 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.456 -13.432 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.863 -15.462 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.342 -14.776 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.382 -13.412 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.100 -13.566 1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.008 -16.623 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.796 -15.494 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.535 -16.604 -0.289 1.00 0.00 H new ATOM 320 N HIS A 20 -0.185 -13.566 -0.441 1.00 0.00 N ATOM 321 CA HIS A 20 1.026 -12.781 -0.225 1.00 0.00 C ATOM 322 C HIS A 20 0.997 -11.498 -1.050 1.00 0.00 C ATOM 323 O HIS A 20 1.595 -10.492 -0.670 1.00 0.00 O ATOM 324 CB HIS A 20 2.263 -13.605 -0.588 1.00 0.00 C ATOM 325 CG HIS A 20 2.819 -14.388 0.561 1.00 0.00 C ATOM 326 ND1 HIS A 20 2.041 -14.857 1.599 1.00 0.00 N ATOM 327 CD2 HIS A 20 4.085 -14.784 0.834 1.00 0.00 C ATOM 328 CE1 HIS A 20 2.805 -15.506 2.460 1.00 0.00 C ATOM 329 NE2 HIS A 20 4.048 -15.478 2.018 1.00 0.00 N ATOM 0 H HIS A 20 -0.028 -14.472 -0.882 1.00 0.00 H new ATOM 0 HA HIS A 20 1.072 -12.513 0.830 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.008 -14.292 -1.395 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.035 -12.937 -0.969 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.961 -14.590 0.232 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.469 -15.979 3.371 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.851 -15.903 2.481 1.00 0.00 H new ATOM 338 N LYS A 21 0.298 -11.540 -2.181 1.00 0.00 N ATOM 339 CA LYS A 21 0.191 -10.379 -3.058 1.00 0.00 C ATOM 340 C LYS A 21 -0.395 -9.185 -2.314 1.00 0.00 C ATOM 341 O LYS A 21 0.108 -8.066 -2.422 1.00 0.00 O ATOM 342 CB LYS A 21 -0.674 -10.713 -4.275 1.00 0.00 C ATOM 343 CG LYS A 21 -0.239 -11.974 -5.003 1.00 0.00 C ATOM 344 CD LYS A 21 -0.849 -12.054 -6.393 1.00 0.00 C ATOM 345 CE LYS A 21 0.136 -12.621 -7.402 1.00 0.00 C ATOM 346 NZ LYS A 21 -0.484 -12.801 -8.744 1.00 0.00 N ATOM 0 H LYS A 21 -0.202 -12.365 -2.511 1.00 0.00 H new ATOM 0 HA LYS A 21 1.194 -10.115 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.709 -10.828 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.647 -9.874 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.848 -11.994 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.534 -12.849 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.742 -12.679 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.165 -11.060 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.994 -11.954 -7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.511 -13.580 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.221 -13.190 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.287 -13.457 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.819 -11.882 -9.098 1.00 0.00 H new ATOM 360 N LEU A 22 -1.461 -9.428 -1.559 1.00 0.00 N ATOM 361 CA LEU A 22 -2.114 -8.371 -0.795 1.00 0.00 C ATOM 362 C LEU A 22 -1.148 -7.750 0.208 1.00 0.00 C ATOM 363 O LEU A 22 -1.235 -6.562 0.517 1.00 0.00 O ATOM 364 CB LEU A 22 -3.341 -8.923 -0.066 1.00 0.00 C ATOM 365 CG LEU A 22 -4.662 -8.788 -0.828 1.00 0.00 C ATOM 366 CD1 LEU A 22 -4.863 -9.973 -1.759 1.00 0.00 C ATOM 367 CD2 LEU A 22 -5.826 -8.666 0.144 1.00 0.00 C ATOM 0 H LEU A 22 -1.891 -10.347 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.433 -7.596 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.171 -9.977 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.437 -8.411 0.891 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.622 -7.881 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.807 -9.861 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.043 -10.015 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.883 -10.894 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.758 -8.571 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.869 -9.555 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.686 -7.785 0.770 1.00 0.00 H new ATOM 379 N VAL A 23 -0.226 -8.564 0.714 1.00 0.00 N ATOM 380 CA VAL A 23 0.758 -8.096 1.682 1.00 0.00 C ATOM 381 C VAL A 23 1.865 -7.300 0.999 1.00 0.00 C ATOM 382 O VAL A 23 2.445 -6.390 1.591 1.00 0.00 O ATOM 383 CB VAL A 23 1.388 -9.271 2.454 1.00 0.00 C ATOM 384 CG1 VAL A 23 2.269 -8.759 3.584 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.308 -10.198 2.990 1.00 0.00 C ATOM 0 H VAL A 23 -0.141 -9.550 0.469 1.00 0.00 H new ATOM 0 HA VAL A 23 0.230 -7.451 2.384 1.00 0.00 H new ATOM 0 HB VAL A 23 2.014 -9.839 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.705 -9.604 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.066 -8.140 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.668 -8.166 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.772 -11.022 3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.346 -9.644 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.277 -10.594 2.160 1.00 0.00 H new ATOM 395 N GLN A 24 2.153 -7.649 -0.251 1.00 0.00 N ATOM 396 CA GLN A 24 3.191 -6.966 -1.015 1.00 0.00 C ATOM 397 C GLN A 24 2.667 -5.657 -1.597 1.00 0.00 C ATOM 398 O GLN A 24 3.397 -4.672 -1.693 1.00 0.00 O ATOM 399 CB GLN A 24 3.703 -7.869 -2.140 1.00 0.00 C ATOM 400 CG GLN A 24 5.019 -7.405 -2.740 1.00 0.00 C ATOM 401 CD GLN A 24 5.691 -8.479 -3.573 1.00 0.00 C ATOM 402 OE1 GLN A 24 5.037 -9.185 -4.340 1.00 0.00 O ATOM 403 NE2 GLN A 24 7.004 -8.608 -3.425 1.00 0.00 N ATOM 0 H GLN A 24 1.683 -8.400 -0.756 1.00 0.00 H new ATOM 0 HA GLN A 24 4.014 -6.738 -0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.826 -8.881 -1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.951 -7.916 -2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.841 -6.527 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.691 -7.098 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.506 -8.001 -2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.510 -9.314 -3.959 1.00 0.00 H new ATOM 412 N ALA A 25 1.395 -5.656 -1.985 1.00 0.00 N ATOM 413 CA ALA A 25 0.772 -4.468 -2.559 1.00 0.00 C ATOM 414 C ALA A 25 0.846 -3.288 -1.596 1.00 0.00 C ATOM 415 O ALA A 25 1.139 -2.162 -1.999 1.00 0.00 O ATOM 416 CB ALA A 25 -0.674 -4.759 -2.929 1.00 0.00 C ATOM 0 H ALA A 25 0.776 -6.464 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 25 1.321 -4.200 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.127 -3.865 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.707 -5.567 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.226 -5.054 -2.036 1.00 0.00 H new ATOM 422 N ILE A 26 0.579 -3.553 -0.321 1.00 0.00 N ATOM 423 CA ILE A 26 0.616 -2.511 0.699 1.00 0.00 C ATOM 424 C ILE A 26 2.051 -2.127 1.042 1.00 0.00 C ATOM 425 O ILE A 26 2.392 -0.946 1.094 1.00 0.00 O ATOM 426 CB ILE A 26 -0.104 -2.959 1.987 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.480 -3.537 1.653 1.00 0.00 C ATOM 428 CG2 ILE A 26 -0.234 -1.791 2.953 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.233 -4.043 2.864 1.00 0.00 C ATOM 0 H ILE A 26 0.335 -4.479 0.030 1.00 0.00 H new ATOM 0 HA ILE A 26 0.100 -1.645 0.284 1.00 0.00 H new ATOM 0 HB ILE A 26 0.489 -3.738 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.077 -2.771 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.359 -4.355 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.744 -2.122 3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.758 -1.420 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.809 -0.993 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.200 -4.439 2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.657 -4.832 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.386 -3.223 3.566 1.00 0.00 H new ATOM 441 N PHE A 27 2.888 -3.133 1.274 1.00 0.00 N ATOM 442 CA PHE A 27 4.288 -2.899 1.611 1.00 0.00 C ATOM 443 C PHE A 27 5.209 -3.721 0.711 1.00 0.00 C ATOM 444 O PHE A 27 5.818 -4.696 1.154 1.00 0.00 O ATOM 445 CB PHE A 27 4.543 -3.245 3.080 1.00 0.00 C ATOM 446 CG PHE A 27 5.514 -2.318 3.754 1.00 0.00 C ATOM 447 CD1 PHE A 27 6.755 -2.065 3.192 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.186 -1.701 4.950 1.00 0.00 C ATOM 449 CE1 PHE A 27 7.651 -1.213 3.811 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.078 -0.849 5.574 1.00 0.00 C ATOM 451 CZ PHE A 27 7.312 -0.604 5.003 1.00 0.00 C ATOM 0 H PHE A 27 2.622 -4.117 1.235 1.00 0.00 H new ATOM 0 HA PHE A 27 4.505 -1.843 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.596 -3.222 3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.922 -4.265 3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.026 -2.539 2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.222 -1.888 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.615 -1.024 3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.811 -0.375 6.507 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.010 0.062 5.488 1.00 0.00 H new ATOM 461 N PRO A 28 5.321 -3.337 -0.572 1.00 0.00 N ATOM 462 CA PRO A 28 6.171 -4.043 -1.537 1.00 0.00 C ATOM 463 C PRO A 28 7.615 -4.164 -1.060 1.00 0.00 C ATOM 464 O PRO A 28 8.122 -5.268 -0.857 1.00 0.00 O ATOM 465 CB PRO A 28 6.097 -3.168 -2.792 1.00 0.00 C ATOM 466 CG PRO A 28 4.820 -2.413 -2.657 1.00 0.00 C ATOM 467 CD PRO A 28 4.628 -2.188 -1.183 1.00 0.00 C ATOM 0 HA PRO A 28 5.835 -5.068 -1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.951 -2.493 -2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.104 -3.774 -3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.868 -1.466 -3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.987 -2.976 -3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.060 -1.240 -0.861 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.572 -2.165 -0.914 1.00 0.00 H new ATOM 475 N THR A 29 8.271 -3.022 -0.881 1.00 0.00 N ATOM 476 CA THR A 29 9.658 -3.000 -0.428 1.00 0.00 C ATOM 477 C THR A 29 9.797 -3.675 0.935 1.00 0.00 C ATOM 478 O THR A 29 8.843 -3.727 1.711 1.00 0.00 O ATOM 479 CB THR A 29 10.167 -1.561 -0.351 1.00 0.00 C ATOM 480 OG1 THR A 29 9.175 -0.705 0.186 1.00 0.00 O ATOM 481 CG2 THR A 29 10.580 -1.000 -1.695 1.00 0.00 C ATOM 0 H THR A 29 7.865 -2.100 -1.042 1.00 0.00 H new ATOM 0 HA THR A 29 10.259 -3.553 -1.150 1.00 0.00 H new ATOM 0 HB THR A 29 11.045 -1.600 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.521 0.211 0.228 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.931 0.024 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.381 -1.610 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.725 -1.010 -2.372 1.00 0.00 H new ATOM 489 N PRO A 30 10.994 -4.203 1.245 1.00 0.00 N ATOM 490 CA PRO A 30 11.255 -4.874 2.521 1.00 0.00 C ATOM 491 C PRO A 30 11.274 -3.900 3.694 1.00 0.00 C ATOM 492 O PRO A 30 11.570 -2.717 3.526 1.00 0.00 O ATOM 493 CB PRO A 30 12.638 -5.497 2.320 1.00 0.00 C ATOM 494 CG PRO A 30 13.289 -4.646 1.287 1.00 0.00 C ATOM 495 CD PRO A 30 12.186 -4.183 0.376 1.00 0.00 C ATOM 0 HA PRO A 30 10.479 -5.599 2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.210 -5.500 3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.562 -6.533 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.799 -3.798 1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.041 -5.210 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.381 -3.185 -0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.069 -4.845 -0.482 1.00 0.00 H new ATOM 503 N ASP A 31 10.956 -4.404 4.882 1.00 0.00 N ATOM 504 CA ASP A 31 10.936 -3.578 6.082 1.00 0.00 C ATOM 505 C ASP A 31 11.191 -4.422 7.327 1.00 0.00 C ATOM 506 O ASP A 31 10.252 -4.867 7.987 1.00 0.00 O ATOM 507 CB ASP A 31 9.592 -2.858 6.207 1.00 0.00 C ATOM 508 CG ASP A 31 8.414 -3.784 5.970 1.00 0.00 C ATOM 509 OD1 ASP A 31 8.578 -5.010 6.149 1.00 0.00 O ATOM 510 OD2 ASP A 31 7.329 -3.285 5.605 1.00 0.00 O ATOM 0 H ASP A 31 10.709 -5.381 5.039 1.00 0.00 H new ATOM 0 HA ASP A 31 11.731 -2.837 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.510 -2.418 7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.555 -2.037 5.491 1.00 0.00 H new ATOM 515 N PRO A 32 12.471 -4.654 7.669 1.00 0.00 N ATOM 516 CA PRO A 32 12.840 -5.448 8.846 1.00 0.00 C ATOM 517 C PRO A 32 12.314 -4.835 10.138 1.00 0.00 C ATOM 518 O PRO A 32 12.072 -5.540 11.119 1.00 0.00 O ATOM 519 CB PRO A 32 14.374 -5.439 8.831 1.00 0.00 C ATOM 520 CG PRO A 32 14.749 -4.285 7.965 1.00 0.00 C ATOM 521 CD PRO A 32 13.654 -4.161 6.945 1.00 0.00 C ATOM 0 HA PRO A 32 12.414 -6.451 8.808 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.777 -5.324 9.837 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.770 -6.374 8.434 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.842 -3.371 8.551 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.713 -4.454 7.485 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.525 -3.130 6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.861 -4.757 6.056 1.00 0.00 H new ATOM 529 N ALA A 33 12.134 -3.518 10.130 1.00 0.00 N ATOM 530 CA ALA A 33 11.632 -2.808 11.299 1.00 0.00 C ATOM 531 C ALA A 33 10.117 -2.943 11.415 1.00 0.00 C ATOM 532 O ALA A 33 9.557 -2.834 12.506 1.00 0.00 O ATOM 533 CB ALA A 33 12.030 -1.342 11.235 1.00 0.00 C ATOM 0 H ALA A 33 12.329 -2.921 9.326 1.00 0.00 H new ATOM 0 HA ALA A 33 12.079 -3.257 12.186 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.649 -0.823 12.114 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.117 -1.261 11.208 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.610 -0.890 10.336 1.00 0.00 H new ATOM 539 N ALA A 34 9.457 -3.181 10.284 1.00 0.00 N ATOM 540 CA ALA A 34 8.006 -3.330 10.264 1.00 0.00 C ATOM 541 C ALA A 34 7.558 -4.472 11.169 1.00 0.00 C ATOM 542 O ALA A 34 6.581 -4.347 11.906 1.00 0.00 O ATOM 543 CB ALA A 34 7.519 -3.557 8.842 1.00 0.00 C ATOM 0 H ALA A 34 9.904 -3.274 9.372 1.00 0.00 H new ATOM 0 HA ALA A 34 7.566 -2.408 10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.435 -3.667 8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.798 -2.705 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.975 -4.462 8.441 1.00 0.00 H new ATOM 549 N LEU A 35 8.280 -5.587 11.108 1.00 0.00 N ATOM 550 CA LEU A 35 7.957 -6.751 11.925 1.00 0.00 C ATOM 551 C LEU A 35 7.933 -6.384 13.405 1.00 0.00 C ATOM 552 O LEU A 35 7.207 -6.989 14.194 1.00 0.00 O ATOM 553 CB LEU A 35 8.971 -7.871 11.680 1.00 0.00 C ATOM 554 CG LEU A 35 9.351 -8.097 10.214 1.00 0.00 C ATOM 555 CD1 LEU A 35 10.185 -9.360 10.069 1.00 0.00 C ATOM 556 CD2 LEU A 35 8.104 -8.177 9.344 1.00 0.00 C ATOM 0 H LEU A 35 9.091 -5.709 10.502 1.00 0.00 H new ATOM 0 HA LEU A 35 6.965 -7.102 11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.877 -7.649 12.243 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.566 -8.800 12.081 1.00 0.00 H new ATOM 0 HG LEU A 35 9.949 -7.249 9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.446 -9.505 9.021 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.096 -9.264 10.660 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.612 -10.217 10.422 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.394 -8.338 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.479 -9.005 9.679 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.544 -7.245 9.424 1.00 0.00 H new ATOM 568 N LYS A 36 8.728 -5.384 13.773 1.00 0.00 N ATOM 569 CA LYS A 36 8.796 -4.930 15.156 1.00 0.00 C ATOM 570 C LYS A 36 7.754 -3.847 15.423 1.00 0.00 C ATOM 571 O LYS A 36 7.326 -3.653 16.560 1.00 0.00 O ATOM 572 CB LYS A 36 10.195 -4.397 15.471 1.00 0.00 C ATOM 573 CG LYS A 36 11.302 -5.406 15.212 1.00 0.00 C ATOM 574 CD LYS A 36 12.599 -4.995 15.891 1.00 0.00 C ATOM 575 CE LYS A 36 13.770 -5.835 15.407 1.00 0.00 C ATOM 576 NZ LYS A 36 15.072 -5.316 15.911 1.00 0.00 N ATOM 0 H LYS A 36 9.334 -4.873 13.131 1.00 0.00 H new ATOM 0 HA LYS A 36 8.585 -5.781 15.804 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.379 -3.506 14.871 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.231 -4.090 16.516 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.995 -6.387 15.575 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.466 -5.501 14.139 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.798 -3.942 15.692 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.495 -5.101 16.971 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.638 -6.866 15.736 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.782 -5.848 14.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.845 -5.916 15.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.210 -4.341 15.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.071 -5.328 16.951 1.00 0.00 H new ATOM 590 N ASP A 37 7.349 -3.145 14.367 1.00 0.00 N ATOM 591 CA ASP A 37 6.356 -2.083 14.493 1.00 0.00 C ATOM 592 C ASP A 37 5.004 -2.650 14.914 1.00 0.00 C ATOM 593 O ASP A 37 4.577 -3.694 14.422 1.00 0.00 O ATOM 594 CB ASP A 37 6.218 -1.326 13.171 1.00 0.00 C ATOM 595 CG ASP A 37 6.058 0.167 13.375 1.00 0.00 C ATOM 596 OD1 ASP A 37 4.953 0.597 13.767 1.00 0.00 O ATOM 597 OD2 ASP A 37 7.038 0.907 13.143 1.00 0.00 O ATOM 0 H ASP A 37 7.692 -3.292 13.418 1.00 0.00 H new ATOM 0 HA ASP A 37 6.695 -1.392 15.265 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.097 -1.514 12.554 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.357 -1.710 12.624 1.00 0.00 H new ATOM 602 N ARG A 38 4.336 -1.954 15.829 1.00 0.00 N ATOM 603 CA ARG A 38 3.033 -2.388 16.317 1.00 0.00 C ATOM 604 C ARG A 38 1.951 -2.165 15.264 1.00 0.00 C ATOM 605 O ARG A 38 0.973 -2.909 15.197 1.00 0.00 O ATOM 606 CB ARG A 38 2.672 -1.638 17.600 1.00 0.00 C ATOM 607 CG ARG A 38 3.212 -2.293 18.861 1.00 0.00 C ATOM 608 CD ARG A 38 2.725 -3.727 18.996 1.00 0.00 C ATOM 609 NE ARG A 38 3.717 -4.689 18.521 1.00 0.00 N ATOM 610 CZ ARG A 38 3.621 -6.004 18.705 1.00 0.00 C ATOM 611 NH1 ARG A 38 2.582 -6.517 19.351 1.00 0.00 N ATOM 612 NH2 ARG A 38 4.567 -6.809 18.240 1.00 0.00 N ATOM 0 H ARG A 38 4.676 -1.088 16.247 1.00 0.00 H new ATOM 0 HA ARG A 38 3.091 -3.456 16.529 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.057 -0.620 17.536 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.587 -1.565 17.675 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.302 -2.278 18.842 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.900 -1.718 19.733 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.491 -3.934 20.040 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.801 -3.851 18.432 1.00 0.00 H new ATOM 0 HE ARG A 38 4.530 -4.332 18.019 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.851 -5.903 19.710 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.514 -7.525 19.489 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.368 -6.420 17.742 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.494 -7.817 18.381 1.00 0.00 H new ATOM 626 N ARG A 39 2.132 -1.135 14.443 1.00 0.00 N ATOM 627 CA ARG A 39 1.170 -0.815 13.396 1.00 0.00 C ATOM 628 C ARG A 39 1.032 -1.971 12.410 1.00 0.00 C ATOM 629 O ARG A 39 -0.055 -2.233 11.892 1.00 0.00 O ATOM 630 CB ARG A 39 1.589 0.459 12.658 1.00 0.00 C ATOM 631 CG ARG A 39 2.843 0.295 11.814 1.00 0.00 C ATOM 632 CD ARG A 39 2.502 -0.015 10.364 1.00 0.00 C ATOM 633 NE ARG A 39 3.362 -1.058 9.810 1.00 0.00 N ATOM 634 CZ ARG A 39 3.303 -1.473 8.546 1.00 0.00 C ATOM 635 NH1 ARG A 39 2.432 -0.934 7.704 1.00 0.00 N ATOM 636 NH2 ARG A 39 4.119 -2.430 8.127 1.00 0.00 N ATOM 0 H ARG A 39 2.936 -0.508 14.483 1.00 0.00 H new ATOM 0 HA ARG A 39 0.201 -0.648 13.867 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.770 0.782 12.016 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.754 1.252 13.387 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.437 1.208 11.862 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.457 -0.507 12.224 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.461 -0.330 10.296 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.601 0.891 9.767 1.00 0.00 H new ATOM 0 HE ARG A 39 4.047 -1.494 10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.803 -0.198 8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.391 -1.256 6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.790 -2.847 8.772 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.076 -2.750 7.159 1.00 0.00 H new ATOM 650 N MET A 40 2.139 -2.662 12.154 1.00 0.00 N ATOM 651 CA MET A 40 2.139 -3.791 11.231 1.00 0.00 C ATOM 652 C MET A 40 1.192 -4.886 11.710 1.00 0.00 C ATOM 653 O MET A 40 0.642 -5.640 10.906 1.00 0.00 O ATOM 654 CB MET A 40 3.555 -4.353 11.078 1.00 0.00 C ATOM 655 CG MET A 40 3.641 -5.544 10.136 1.00 0.00 C ATOM 656 SD MET A 40 2.947 -5.197 8.508 1.00 0.00 S ATOM 657 CE MET A 40 4.388 -5.427 7.469 1.00 0.00 C ATOM 0 H MET A 40 3.047 -2.460 12.573 1.00 0.00 H new ATOM 0 HA MET A 40 1.791 -3.435 10.261 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.212 -3.564 10.713 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.927 -4.649 12.059 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.684 -5.840 10.026 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.115 -6.390 10.578 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.366 -4.706 6.652 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.291 -5.277 8.061 1.00 0.00 H new ATOM 0 HE3 MET A 40 4.385 -6.438 7.061 1.00 0.00 H new ATOM 667 N GLU A 41 1.003 -4.970 13.024 1.00 0.00 N ATOM 668 CA GLU A 41 0.120 -5.973 13.608 1.00 0.00 C ATOM 669 C GLU A 41 -1.285 -5.862 13.025 1.00 0.00 C ATOM 670 O GLU A 41 -1.998 -6.858 12.899 1.00 0.00 O ATOM 671 CB GLU A 41 0.068 -5.817 15.128 1.00 0.00 C ATOM 672 CG GLU A 41 -0.440 -7.054 15.849 1.00 0.00 C ATOM 673 CD GLU A 41 -0.613 -6.830 17.339 1.00 0.00 C ATOM 674 OE1 GLU A 41 -1.676 -6.311 17.742 1.00 0.00 O ATOM 675 OE2 GLU A 41 0.314 -7.174 18.103 1.00 0.00 O ATOM 0 H GLU A 41 1.450 -4.355 13.704 1.00 0.00 H new ATOM 0 HA GLU A 41 0.519 -6.958 13.366 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.066 -5.577 15.495 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.574 -4.972 15.376 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.394 -7.356 15.417 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.257 -7.876 15.687 1.00 0.00 H new ATOM 682 N ASN A 42 -1.677 -4.642 12.668 1.00 0.00 N ATOM 683 CA ASN A 42 -2.995 -4.399 12.095 1.00 0.00 C ATOM 684 C ASN A 42 -3.019 -4.761 10.614 1.00 0.00 C ATOM 685 O ASN A 42 -4.051 -5.167 10.081 1.00 0.00 O ATOM 686 CB ASN A 42 -3.392 -2.933 12.282 1.00 0.00 C ATOM 687 CG ASN A 42 -3.949 -2.656 13.664 1.00 0.00 C ATOM 688 OD1 ASN A 42 -4.479 -3.551 14.324 1.00 0.00 O ATOM 689 ND2 ASN A 42 -3.835 -1.410 14.110 1.00 0.00 N ATOM 0 H ASN A 42 -1.100 -3.807 12.766 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.714 -5.032 12.616 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.522 -2.299 12.110 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.136 -2.663 11.533 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.194 -1.164 15.032 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.389 -0.700 13.530 1.00 0.00 H new ATOM 696 N LEU A 43 -1.874 -4.611 9.955 1.00 0.00 N ATOM 697 CA LEU A 43 -1.763 -4.922 8.534 1.00 0.00 C ATOM 698 C LEU A 43 -2.134 -6.379 8.266 1.00 0.00 C ATOM 699 O LEU A 43 -2.832 -6.683 7.300 1.00 0.00 O ATOM 700 CB LEU A 43 -0.342 -4.643 8.038 1.00 0.00 C ATOM 701 CG LEU A 43 -0.257 -3.818 6.753 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.184 -3.419 6.471 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.835 -4.597 5.582 1.00 0.00 C ATOM 0 H LEU A 43 -1.010 -4.276 10.382 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.460 -4.283 7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.205 -4.122 8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.163 -5.595 7.875 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.845 -2.910 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.226 -2.833 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.565 -2.823 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.794 -4.315 6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.767 -3.995 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.273 -5.521 5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.880 -4.833 5.783 1.00 0.00 H new ATOM 715 N VAL A 44 -1.662 -7.272 9.129 1.00 0.00 N ATOM 716 CA VAL A 44 -1.944 -8.695 8.987 1.00 0.00 C ATOM 717 C VAL A 44 -3.444 -8.964 9.030 1.00 0.00 C ATOM 718 O VAL A 44 -4.015 -9.506 8.085 1.00 0.00 O ATOM 719 CB VAL A 44 -1.255 -9.517 10.093 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.406 -11.007 9.825 1.00 0.00 C ATOM 721 CG2 VAL A 44 0.212 -9.133 10.208 1.00 0.00 C ATOM 0 H VAL A 44 -1.082 -7.035 9.934 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.550 -9.001 8.018 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.740 -9.293 11.043 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.913 -11.571 10.617 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.464 -11.267 9.800 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.949 -11.252 8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.682 -9.724 10.994 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.714 -9.326 9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.293 -8.074 10.453 1.00 0.00 H new ATOM 731 N ALA A 45 -4.077 -8.579 10.134 1.00 0.00 N ATOM 732 CA ALA A 45 -5.512 -8.776 10.301 1.00 0.00 C ATOM 733 C ALA A 45 -6.293 -8.107 9.175 1.00 0.00 C ATOM 734 O ALA A 45 -7.288 -8.646 8.690 1.00 0.00 O ATOM 735 CB ALA A 45 -5.964 -8.240 11.650 1.00 0.00 C ATOM 0 H ALA A 45 -3.618 -8.129 10.926 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.714 -9.846 10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.037 -8.394 11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.438 -8.767 12.446 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.742 -7.175 11.711 1.00 0.00 H new ATOM 741 N TYR A 46 -5.833 -6.931 8.761 1.00 0.00 N ATOM 742 CA TYR A 46 -6.487 -6.188 7.690 1.00 0.00 C ATOM 743 C TYR A 46 -6.492 -6.997 6.396 1.00 0.00 C ATOM 744 O TYR A 46 -7.517 -7.105 5.724 1.00 0.00 O ATOM 745 CB TYR A 46 -5.782 -4.847 7.468 1.00 0.00 C ATOM 746 CG TYR A 46 -6.358 -4.038 6.329 1.00 0.00 C ATOM 747 CD1 TYR A 46 -6.083 -4.369 5.008 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.177 -2.943 6.573 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.608 -3.631 3.963 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.706 -2.200 5.535 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.419 -2.548 4.232 1.00 0.00 C ATOM 752 OH TYR A 46 -7.944 -1.812 3.194 1.00 0.00 O ATOM 0 H TYR A 46 -5.010 -6.472 9.151 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.520 -6.001 7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.840 -4.260 8.385 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.725 -5.030 7.274 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.449 -5.217 4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.404 -2.667 7.592 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.384 -3.901 2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.341 -1.351 5.743 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.467 -2.028 2.366 1.00 0.00 H new ATOM 762 N ALA A 47 -5.340 -7.563 6.055 1.00 0.00 N ATOM 763 CA ALA A 47 -5.212 -8.363 4.843 1.00 0.00 C ATOM 764 C ALA A 47 -5.937 -9.697 4.985 1.00 0.00 C ATOM 765 O ALA A 47 -6.393 -10.275 3.997 1.00 0.00 O ATOM 766 CB ALA A 47 -3.744 -8.590 4.516 1.00 0.00 C ATOM 0 H ALA A 47 -4.482 -7.483 6.600 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.676 -7.814 4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.662 -9.189 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.253 -7.629 4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.264 -9.115 5.342 1.00 0.00 H new ATOM 772 N LYS A 48 -6.039 -10.184 6.218 1.00 0.00 N ATOM 773 CA LYS A 48 -6.706 -11.452 6.488 1.00 0.00 C ATOM 774 C LYS A 48 -8.212 -11.337 6.272 1.00 0.00 C ATOM 775 O LYS A 48 -8.865 -12.296 5.859 1.00 0.00 O ATOM 776 CB LYS A 48 -6.419 -11.908 7.921 1.00 0.00 C ATOM 777 CG LYS A 48 -5.118 -12.680 8.063 1.00 0.00 C ATOM 778 CD LYS A 48 -4.833 -13.024 9.516 1.00 0.00 C ATOM 779 CE LYS A 48 -4.178 -14.390 9.646 1.00 0.00 C ATOM 780 NZ LYS A 48 -5.185 -15.478 9.782 1.00 0.00 N ATOM 0 H LYS A 48 -5.668 -9.719 7.046 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.314 -12.193 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.387 -11.034 8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.242 -12.533 8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.170 -13.596 7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.296 -12.088 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.183 -12.265 9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.763 -13.010 10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.556 -14.579 8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.518 -14.395 10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.698 -16.393 9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.763 -15.312 10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.799 -15.490 8.942 1.00 0.00 H new ATOM 794 N LYS A 49 -8.760 -10.160 6.556 1.00 0.00 N ATOM 795 CA LYS A 49 -10.191 -9.926 6.392 1.00 0.00 C ATOM 796 C LYS A 49 -10.536 -9.631 4.936 1.00 0.00 C ATOM 797 O LYS A 49 -11.563 -10.080 4.428 1.00 0.00 O ATOM 798 CB LYS A 49 -10.648 -8.769 7.283 1.00 0.00 C ATOM 799 CG LYS A 49 -9.860 -7.486 7.068 1.00 0.00 C ATOM 800 CD LYS A 49 -10.543 -6.297 7.724 1.00 0.00 C ATOM 801 CE LYS A 49 -9.981 -4.981 7.212 1.00 0.00 C ATOM 802 NZ LYS A 49 -10.761 -4.456 6.057 1.00 0.00 N ATOM 0 H LYS A 49 -8.237 -9.355 6.900 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.715 -10.834 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.704 -8.573 7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.560 -9.069 8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.856 -7.601 7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.750 -7.300 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.614 -6.337 7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.415 -6.353 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.986 -4.246 8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.942 -5.121 6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.188 -3.759 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.010 -5.240 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.630 -4.001 6.403 1.00 0.00 H new ATOM 816 N VAL A 50 -9.672 -8.872 4.269 1.00 0.00 N ATOM 817 CA VAL A 50 -9.889 -8.517 2.871 1.00 0.00 C ATOM 818 C VAL A 50 -9.590 -9.691 1.947 1.00 0.00 C ATOM 819 O VAL A 50 -10.357 -9.974 1.029 1.00 0.00 O ATOM 820 CB VAL A 50 -9.025 -7.312 2.452 1.00 0.00 C ATOM 821 CG1 VAL A 50 -9.397 -6.847 1.050 1.00 0.00 C ATOM 822 CG2 VAL A 50 -9.165 -6.175 3.455 1.00 0.00 C ATOM 0 H VAL A 50 -8.816 -8.492 4.673 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.941 -8.248 2.778 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.981 -7.626 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.776 -5.995 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.235 -7.660 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.446 -6.552 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.547 -5.334 3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.207 -5.860 3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.841 -6.515 4.438 1.00 0.00 H new ATOM 832 N GLU A 51 -8.476 -10.380 2.194 1.00 0.00 N ATOM 833 CA GLU A 51 -8.099 -11.528 1.373 1.00 0.00 C ATOM 834 C GLU A 51 -9.280 -12.478 1.222 1.00 0.00 C ATOM 835 O GLU A 51 -9.568 -12.957 0.126 1.00 0.00 O ATOM 836 CB GLU A 51 -6.904 -12.261 1.988 1.00 0.00 C ATOM 837 CG GLU A 51 -7.180 -12.822 3.374 1.00 0.00 C ATOM 838 CD GLU A 51 -7.779 -14.214 3.332 1.00 0.00 C ATOM 839 OE1 GLU A 51 -7.219 -15.080 2.625 1.00 0.00 O ATOM 840 OE2 GLU A 51 -8.806 -14.441 4.005 1.00 0.00 O ATOM 0 H GLU A 51 -7.825 -10.165 2.949 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.810 -11.167 0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.610 -13.077 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.058 -11.576 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.251 -12.848 3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.860 -12.154 3.903 1.00 0.00 H new ATOM 847 N GLY A 52 -9.980 -12.723 2.326 1.00 0.00 N ATOM 848 CA GLY A 52 -11.141 -13.587 2.281 1.00 0.00 C ATOM 849 C GLY A 52 -12.222 -12.991 1.406 1.00 0.00 C ATOM 850 O GLY A 52 -12.967 -13.709 0.741 1.00 0.00 O ATOM 0 H GLY A 52 -9.763 -12.339 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.856 -14.567 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.526 -13.739 3.289 1.00 0.00 H new ATOM 854 N ASP A 53 -12.285 -11.661 1.398 1.00 0.00 N ATOM 855 CA ASP A 53 -13.257 -10.941 0.589 1.00 0.00 C ATOM 856 C ASP A 53 -12.798 -10.893 -0.864 1.00 0.00 C ATOM 857 O ASP A 53 -13.614 -10.855 -1.786 1.00 0.00 O ATOM 858 CB ASP A 53 -13.448 -9.521 1.125 1.00 0.00 C ATOM 859 CG ASP A 53 -14.577 -9.430 2.132 1.00 0.00 C ATOM 860 OD1 ASP A 53 -14.365 -9.823 3.299 1.00 0.00 O ATOM 861 OD2 ASP A 53 -15.673 -8.965 1.755 1.00 0.00 O ATOM 0 H ASP A 53 -11.670 -11.061 1.947 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.211 -11.466 0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.522 -9.184 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.651 -8.846 0.294 1.00 0.00 H new ATOM 866 N MET A 54 -11.481 -10.896 -1.057 1.00 0.00 N ATOM 867 CA MET A 54 -10.897 -10.856 -2.391 1.00 0.00 C ATOM 868 C MET A 54 -11.037 -12.206 -3.083 1.00 0.00 C ATOM 869 O MET A 54 -11.165 -12.278 -4.306 1.00 0.00 O ATOM 870 CB MET A 54 -9.421 -10.462 -2.312 1.00 0.00 C ATOM 871 CG MET A 54 -9.200 -8.984 -2.036 1.00 0.00 C ATOM 872 SD MET A 54 -9.919 -7.924 -3.304 1.00 0.00 S ATOM 873 CE MET A 54 -11.077 -6.966 -2.329 1.00 0.00 C ATOM 0 H MET A 54 -10.797 -10.926 -0.301 1.00 0.00 H new ATOM 0 HA MET A 54 -11.435 -10.109 -2.975 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.939 -11.046 -1.527 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.933 -10.725 -3.250 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.633 -8.731 -1.068 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.130 -8.787 -1.968 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.601 -6.262 -2.975 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.799 -7.635 -1.860 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.537 -6.417 -1.558 1.00 0.00 H new ATOM 883 N TYR A 55 -11.011 -13.275 -2.295 1.00 0.00 N ATOM 884 CA TYR A 55 -11.134 -14.622 -2.833 1.00 0.00 C ATOM 885 C TYR A 55 -12.565 -14.889 -3.291 1.00 0.00 C ATOM 886 O TYR A 55 -12.792 -15.257 -4.440 1.00 0.00 O ATOM 887 CB TYR A 55 -10.696 -15.648 -1.773 1.00 0.00 C ATOM 888 CG TYR A 55 -11.175 -17.069 -2.014 1.00 0.00 C ATOM 889 CD1 TYR A 55 -12.482 -17.439 -1.719 1.00 0.00 C ATOM 890 CD2 TYR A 55 -10.318 -18.044 -2.521 1.00 0.00 C ATOM 891 CE1 TYR A 55 -12.922 -18.733 -1.922 1.00 0.00 C ATOM 892 CE2 TYR A 55 -10.754 -19.340 -2.727 1.00 0.00 C ATOM 893 CZ TYR A 55 -12.056 -19.679 -2.425 1.00 0.00 C ATOM 894 OH TYR A 55 -12.493 -20.968 -2.629 1.00 0.00 O ATOM 0 H TYR A 55 -10.906 -13.233 -1.281 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.483 -14.718 -3.702 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.607 -15.652 -1.722 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -11.059 -15.319 -0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.166 -16.702 -1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.297 -17.783 -2.757 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.941 -19.002 -1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.078 -20.083 -3.123 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.702 -21.096 -3.578 1.00 0.00 H new ATOM 904 N GLU A 56 -13.523 -14.691 -2.390 1.00 0.00 N ATOM 905 CA GLU A 56 -14.937 -14.913 -2.698 1.00 0.00 C ATOM 906 C GLU A 56 -15.416 -14.039 -3.855 1.00 0.00 C ATOM 907 O GLU A 56 -16.386 -14.375 -4.534 1.00 0.00 O ATOM 908 CB GLU A 56 -15.791 -14.641 -1.459 1.00 0.00 C ATOM 909 CG GLU A 56 -15.921 -15.840 -0.534 1.00 0.00 C ATOM 910 CD GLU A 56 -16.262 -15.445 0.890 1.00 0.00 C ATOM 911 OE1 GLU A 56 -17.466 -15.328 1.201 1.00 0.00 O ATOM 912 OE2 GLU A 56 -15.326 -15.253 1.693 1.00 0.00 O ATOM 0 H GLU A 56 -13.347 -14.376 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.045 -15.954 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.356 -13.810 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.786 -14.327 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.693 -16.507 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.986 -16.400 -0.538 1.00 0.00 H new ATOM 919 N SER A 57 -14.742 -12.915 -4.074 1.00 0.00 N ATOM 920 CA SER A 57 -15.114 -11.995 -5.148 1.00 0.00 C ATOM 921 C SER A 57 -15.204 -12.710 -6.498 1.00 0.00 C ATOM 922 O SER A 57 -15.882 -12.241 -7.413 1.00 0.00 O ATOM 923 CB SER A 57 -14.102 -10.851 -5.235 1.00 0.00 C ATOM 924 OG SER A 57 -14.746 -9.620 -5.514 1.00 0.00 O ATOM 0 H SER A 57 -13.936 -12.617 -3.524 1.00 0.00 H new ATOM 0 HA SER A 57 -16.100 -11.594 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.554 -10.774 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.370 -11.067 -6.014 1.00 0.00 H new ATOM 0 HG SER A 57 -14.107 -8.885 -5.406 1.00 0.00 H new ATOM 930 N ALA A 58 -14.512 -13.837 -6.617 1.00 0.00 N ATOM 931 CA ALA A 58 -14.507 -14.610 -7.856 1.00 0.00 C ATOM 932 C ALA A 58 -15.494 -15.755 -7.823 1.00 0.00 C ATOM 933 O ALA A 58 -15.448 -16.605 -6.938 1.00 0.00 O ATOM 934 CB ALA A 58 -13.117 -15.159 -8.125 1.00 0.00 C ATOM 0 H ALA A 58 -13.945 -14.238 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.806 -13.931 -8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.126 -15.734 -9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.411 -14.333 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.815 -15.805 -7.300 1.00 0.00 H new ATOM 940 N ASN A 59 -16.347 -15.811 -8.836 1.00 0.00 N ATOM 941 CA ASN A 59 -17.287 -16.912 -8.945 1.00 0.00 C ATOM 942 C ASN A 59 -16.561 -18.086 -9.571 1.00 0.00 C ATOM 943 O ASN A 59 -17.115 -19.173 -9.709 1.00 0.00 O ATOM 944 CB ASN A 59 -18.515 -16.561 -9.791 1.00 0.00 C ATOM 945 CG ASN A 59 -18.162 -15.759 -11.028 1.00 0.00 C ATOM 946 OD1 ASN A 59 -17.599 -14.668 -10.935 1.00 0.00 O ATOM 947 ND2 ASN A 59 -18.492 -16.297 -12.197 1.00 0.00 N ATOM 0 H ASN A 59 -16.406 -15.118 -9.582 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.652 -17.151 -7.946 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -19.020 -17.480 -10.090 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -19.220 -15.993 -9.183 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -18.280 -15.803 -13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.958 -17.204 -12.228 1.00 0.00 H new ATOM 954 N SER A 60 -15.303 -17.843 -9.952 1.00 0.00 N ATOM 955 CA SER A 60 -14.473 -18.867 -10.569 1.00 0.00 C ATOM 956 C SER A 60 -13.019 -18.698 -10.147 1.00 0.00 C ATOM 957 O SER A 60 -12.675 -17.754 -9.435 1.00 0.00 O ATOM 958 CB SER A 60 -14.589 -18.800 -12.093 1.00 0.00 C ATOM 959 OG SER A 60 -15.944 -18.732 -12.500 1.00 0.00 O ATOM 0 H SER A 60 -14.841 -16.940 -9.841 1.00 0.00 H new ATOM 0 HA SER A 60 -14.824 -19.843 -10.233 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.051 -17.928 -12.464 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.117 -19.677 -12.535 1.00 0.00 H new ATOM 0 HG SER A 60 -15.990 -18.689 -13.478 1.00 0.00 H new ATOM 965 N ARG A 61 -12.169 -19.616 -10.586 1.00 0.00 N ATOM 966 CA ARG A 61 -10.753 -19.566 -10.248 1.00 0.00 C ATOM 967 C ARG A 61 -10.041 -18.468 -11.035 1.00 0.00 C ATOM 968 O ARG A 61 -9.387 -17.601 -10.457 1.00 0.00 O ATOM 969 CB ARG A 61 -10.092 -20.914 -10.529 1.00 0.00 C ATOM 970 CG ARG A 61 -8.914 -21.212 -9.619 1.00 0.00 C ATOM 971 CD ARG A 61 -7.591 -20.857 -10.276 1.00 0.00 C ATOM 972 NE ARG A 61 -7.472 -21.428 -11.617 1.00 0.00 N ATOM 973 CZ ARG A 61 -6.498 -21.119 -12.471 1.00 0.00 C ATOM 974 NH1 ARG A 61 -5.559 -20.246 -12.129 1.00 0.00 N ATOM 975 NH2 ARG A 61 -6.464 -21.684 -13.669 1.00 0.00 N ATOM 0 H ARG A 61 -12.435 -20.404 -11.177 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.670 -19.340 -9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.835 -21.704 -10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.755 -20.935 -11.565 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.021 -20.651 -8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.917 -22.270 -9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.495 -19.773 -10.334 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.770 -21.217 -9.655 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.176 -22.103 -11.916 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.581 -19.808 -11.208 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.815 -20.013 -12.787 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.184 -22.355 -13.937 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.718 -21.448 -14.323 1.00 0.00 H new ATOM 989 N ASP A 62 -10.172 -18.517 -12.357 1.00 0.00 N ATOM 990 CA ASP A 62 -9.539 -17.532 -13.230 1.00 0.00 C ATOM 991 C ASP A 62 -9.921 -16.111 -12.824 1.00 0.00 C ATOM 992 O ASP A 62 -9.075 -15.217 -12.788 1.00 0.00 O ATOM 993 CB ASP A 62 -9.936 -17.781 -14.685 1.00 0.00 C ATOM 994 CG ASP A 62 -8.989 -18.733 -15.388 1.00 0.00 C ATOM 995 OD1 ASP A 62 -8.854 -19.885 -14.924 1.00 0.00 O ATOM 996 OD2 ASP A 62 -8.381 -18.328 -16.401 1.00 0.00 O ATOM 0 H ASP A 62 -10.712 -19.229 -12.849 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.459 -17.639 -13.129 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.947 -18.188 -14.718 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.957 -16.832 -15.221 1.00 0.00 H new ATOM 1001 N GLU A 63 -11.199 -15.909 -12.520 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.689 -14.596 -12.118 1.00 0.00 C ATOM 1003 C GLU A 63 -10.944 -14.090 -10.886 1.00 0.00 C ATOM 1004 O GLU A 63 -10.634 -12.905 -10.779 1.00 0.00 O ATOM 1005 CB GLU A 63 -13.192 -14.654 -11.836 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.783 -13.323 -11.399 1.00 0.00 C ATOM 1007 CD GLU A 63 -15.260 -13.208 -11.720 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -15.665 -13.642 -12.818 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -16.013 -12.683 -10.872 1.00 0.00 O ATOM 0 H GLU A 63 -11.913 -16.637 -12.544 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.508 -13.901 -12.938 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.708 -14.994 -12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.379 -15.397 -11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.637 -13.200 -10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.244 -12.512 -11.889 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.658 -14.999 -9.958 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.947 -14.646 -8.734 1.00 0.00 C ATOM 1018 C TYR A 64 -8.539 -14.146 -9.051 1.00 0.00 C ATOM 1019 O TYR A 64 -7.988 -13.314 -8.328 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.881 -15.855 -7.794 1.00 0.00 C ATOM 1021 CG TYR A 64 -8.951 -15.669 -6.614 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.102 -14.594 -5.747 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -7.920 -16.568 -6.371 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.251 -14.421 -4.670 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.066 -16.402 -5.297 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.236 -15.328 -4.450 1.00 0.00 C ATOM 1027 OH TYR A 64 -6.388 -15.159 -3.380 1.00 0.00 O ATOM 0 H TYR A 64 -10.908 -15.985 -10.031 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.492 -13.843 -8.239 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.883 -16.069 -7.423 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.559 -16.727 -8.363 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.896 -13.882 -5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.784 -17.411 -7.032 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.381 -13.580 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.270 -17.110 -5.122 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.891 -15.989 -3.222 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.963 -14.656 -10.134 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.620 -14.260 -10.543 1.00 0.00 C ATOM 1039 C TYR A 65 -6.627 -12.860 -11.151 1.00 0.00 C ATOM 1040 O TYR A 65 -5.818 -12.009 -10.782 1.00 0.00 O ATOM 1041 CB TYR A 65 -6.053 -15.267 -11.547 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.897 -16.076 -11.004 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.658 -15.489 -10.780 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -5.045 -17.427 -10.712 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.598 -16.226 -10.284 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -3.991 -18.169 -10.214 1.00 0.00 C ATOM 1047 CZ TYR A 65 -2.770 -17.563 -10.003 1.00 0.00 C ATOM 1048 OH TYR A 65 -1.718 -18.300 -9.508 1.00 0.00 O ATOM 0 H TYR A 65 -8.404 -15.344 -10.744 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.985 -14.246 -9.657 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.848 -15.946 -11.856 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.725 -14.733 -12.439 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.520 -14.440 -10.997 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.999 -17.905 -10.877 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.640 -15.755 -10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.123 -19.218 -9.991 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.007 -19.225 -9.363 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.544 -12.629 -12.084 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.655 -11.332 -12.742 1.00 0.00 C ATOM 1060 C HIS A 66 -8.284 -10.302 -11.810 1.00 0.00 C ATOM 1061 O HIS A 66 -7.963 -9.115 -11.873 1.00 0.00 O ATOM 1062 CB HIS A 66 -8.485 -11.456 -14.021 1.00 0.00 C ATOM 1063 CG HIS A 66 -7.755 -12.117 -15.147 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -8.394 -12.711 -16.214 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -6.429 -12.278 -15.370 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -7.494 -13.209 -17.044 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -6.295 -12.959 -16.555 1.00 0.00 N ATOM 0 H HIS A 66 -8.221 -13.323 -12.402 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.651 -10.995 -13.000 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.390 -12.023 -13.803 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.800 -10.462 -14.337 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.626 -11.935 -14.734 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.705 -13.732 -17.965 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.411 -13.228 -16.987 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.183 -10.762 -10.947 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.859 -9.882 -10.001 1.00 0.00 C ATOM 1078 C LEU A 67 -8.894 -9.401 -8.922 1.00 0.00 C ATOM 1079 O LEU A 67 -8.761 -8.200 -8.685 1.00 0.00 O ATOM 1080 CB LEU A 67 -11.044 -10.607 -9.358 1.00 0.00 C ATOM 1081 CG LEU A 67 -11.758 -9.831 -8.249 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -13.259 -10.072 -8.310 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -11.208 -10.225 -6.887 1.00 0.00 C ATOM 0 H LEU A 67 -9.461 -11.741 -10.883 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.226 -9.013 -10.547 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.769 -10.847 -10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.691 -11.554 -8.948 1.00 0.00 H new ATOM 0 HG LEU A 67 -11.576 -8.767 -8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -13.750 -9.512 -7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.642 -9.741 -9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.462 -11.135 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.726 -9.664 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.361 -11.292 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.142 -10.001 -6.846 1.00 0.00 H new ATOM 1095 N LEU A 68 -8.225 -10.346 -8.269 1.00 0.00 N ATOM 1096 CA LEU A 68 -7.273 -10.020 -7.213 1.00 0.00 C ATOM 1097 C LEU A 68 -6.179 -9.091 -7.730 1.00 0.00 C ATOM 1098 O LEU A 68 -5.707 -8.211 -7.011 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.648 -11.299 -6.651 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.611 -11.081 -5.546 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -6.128 -11.601 -4.214 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.294 -11.755 -5.908 1.00 0.00 C ATOM 0 H LEU A 68 -8.325 -11.344 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.813 -9.506 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.444 -11.934 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.177 -11.845 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.435 -10.010 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.376 -11.436 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.043 -11.072 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.336 -12.668 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.569 -11.589 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.456 -12.825 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.913 -11.333 -6.838 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.781 -9.292 -8.982 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.743 -8.472 -9.595 1.00 0.00 C ATOM 1116 C ALA A 69 -5.139 -7.000 -9.605 1.00 0.00 C ATOM 1117 O ALA A 69 -4.285 -6.116 -9.543 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.458 -8.953 -11.009 1.00 0.00 C ATOM 0 H ALA A 69 -6.162 -10.016 -9.592 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.836 -8.572 -8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.681 -8.332 -11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.122 -9.989 -10.980 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.366 -8.883 -11.607 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.441 -6.743 -9.684 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.951 -5.377 -9.703 1.00 0.00 C ATOM 1126 C GLU A 70 -6.578 -4.638 -8.421 1.00 0.00 C ATOM 1127 O GLU A 70 -6.113 -3.498 -8.465 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.471 -5.380 -9.878 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.990 -4.211 -10.699 1.00 0.00 C ATOM 1130 CD GLU A 70 -10.194 -4.581 -11.543 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -10.079 -5.517 -12.362 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -11.251 -3.934 -11.387 1.00 0.00 O ATOM 0 H GLU A 70 -7.162 -7.463 -9.736 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.495 -4.858 -10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.772 -6.312 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.942 -5.361 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.257 -3.392 -10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.194 -3.846 -11.348 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.782 -5.291 -7.282 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.465 -4.688 -5.992 1.00 0.00 C ATOM 1141 C LYS A 71 -4.976 -4.392 -5.882 1.00 0.00 C ATOM 1142 O LYS A 71 -4.581 -3.252 -5.655 1.00 0.00 O ATOM 1143 CB LYS A 71 -6.897 -5.618 -4.854 1.00 0.00 C ATOM 1144 CG LYS A 71 -7.517 -4.889 -3.674 1.00 0.00 C ATOM 1145 CD LYS A 71 -8.866 -4.288 -4.036 1.00 0.00 C ATOM 1146 CE LYS A 71 -8.759 -2.795 -4.300 1.00 0.00 C ATOM 1147 NZ LYS A 71 -9.584 -2.375 -5.466 1.00 0.00 N ATOM 0 H LYS A 71 -7.164 -6.235 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.010 -3.748 -5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.614 -6.342 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.030 -6.181 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.638 -5.581 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.844 -4.100 -3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.262 -4.787 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.573 -4.465 -3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.078 -2.246 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.717 -2.532 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.662 -1.338 -5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.134 -2.701 -6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.533 -2.792 -5.388 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.155 -5.420 -6.056 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.708 -5.259 -5.977 1.00 0.00 C ATOM 1163 C ILE A 72 -2.210 -4.249 -7.004 1.00 0.00 C ATOM 1164 O ILE A 72 -1.190 -3.595 -6.799 1.00 0.00 O ATOM 1165 CB ILE A 72 -1.980 -6.601 -6.196 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.557 -7.679 -5.274 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.485 -6.439 -5.956 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.754 -9.014 -5.958 1.00 0.00 C ATOM 0 H ILE A 72 -4.465 -6.372 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.485 -4.893 -4.975 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.132 -6.913 -7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.891 -7.811 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.514 -7.336 -4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.015 -7.395 -6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.083 -5.700 -6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.315 -6.106 -4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.165 -9.730 -5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.443 -8.896 -6.794 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.795 -9.379 -6.327 1.00 0.00 H new ATOM 1180 N TYR A 73 -2.932 -4.134 -8.110 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.561 -3.212 -9.177 1.00 0.00 C ATOM 1182 C TYR A 73 -2.886 -1.761 -8.813 1.00 0.00 C ATOM 1183 O TYR A 73 -2.083 -0.860 -9.054 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.278 -3.609 -10.474 1.00 0.00 C ATOM 1185 CG TYR A 73 -3.300 -2.527 -11.532 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -2.204 -1.695 -11.730 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -4.420 -2.336 -12.330 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -2.226 -0.706 -12.695 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -4.449 -1.350 -13.297 1.00 0.00 C ATOM 1190 CZ TYR A 73 -3.349 -0.537 -13.475 1.00 0.00 C ATOM 1191 OH TYR A 73 -3.374 0.447 -14.436 1.00 0.00 O ATOM 0 H TYR A 73 -3.781 -4.669 -8.293 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.482 -3.278 -9.320 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.793 -4.494 -10.887 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.304 -3.889 -10.237 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.322 -1.824 -11.120 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.284 -2.970 -12.192 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.366 -0.068 -12.837 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.328 -1.216 -13.910 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.238 0.431 -14.898 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.075 -1.536 -8.260 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.505 -0.186 -7.900 1.00 0.00 C ATOM 1203 C LYS A 74 -3.891 0.296 -6.583 1.00 0.00 C ATOM 1204 O LYS A 74 -3.521 1.463 -6.461 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.032 -0.119 -7.820 1.00 0.00 C ATOM 1206 CG LYS A 74 -6.625 -0.922 -6.674 1.00 0.00 C ATOM 1207 CD LYS A 74 -6.865 -0.052 -5.450 1.00 0.00 C ATOM 1208 CE LYS A 74 -8.086 0.837 -5.630 1.00 0.00 C ATOM 1209 NZ LYS A 74 -7.713 2.212 -6.063 1.00 0.00 N ATOM 0 H LYS A 74 -4.756 -2.267 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.148 0.480 -8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.335 0.923 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.451 -0.480 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.565 -1.372 -6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.952 -1.739 -6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.000 -0.685 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.987 0.567 -5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.753 0.392 -6.368 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.639 0.889 -4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.131 2.907 -5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.678 2.309 -6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.070 2.382 -7.025 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.799 -0.589 -5.595 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.246 -0.213 -4.297 1.00 0.00 C ATOM 1225 C ILE A 75 -1.726 -0.064 -4.344 1.00 0.00 C ATOM 1226 O ILE A 75 -1.153 0.726 -3.595 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.633 -1.216 -3.191 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -3.054 -2.606 -3.490 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -5.149 -1.264 -3.043 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -3.949 -3.758 -3.067 1.00 0.00 C ATOM 0 H ILE A 75 -4.097 -1.562 -5.666 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.683 0.756 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.207 -0.883 -2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.861 -2.684 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.093 -2.703 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.416 -1.974 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.520 -0.274 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.597 -1.578 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.466 -4.704 -3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.122 -3.709 -1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.902 -3.690 -3.591 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.075 -0.817 -5.226 1.00 0.00 N ATOM 1243 CA GLN A 76 0.378 -0.746 -5.354 1.00 0.00 C ATOM 1244 C GLN A 76 0.818 0.664 -5.731 1.00 0.00 C ATOM 1245 O GLN A 76 1.604 1.293 -5.021 1.00 0.00 O ATOM 1246 CB GLN A 76 0.877 -1.742 -6.402 1.00 0.00 C ATOM 1247 CG GLN A 76 1.304 -3.079 -5.817 1.00 0.00 C ATOM 1248 CD GLN A 76 1.815 -4.041 -6.872 1.00 0.00 C ATOM 1249 OE1 GLN A 76 2.882 -4.636 -6.721 1.00 0.00 O ATOM 1250 NE2 GLN A 76 1.054 -4.199 -7.949 1.00 0.00 N ATOM 0 H GLN A 76 -1.526 -1.478 -5.858 1.00 0.00 H new ATOM 0 HA GLN A 76 0.813 -1.003 -4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.088 -1.911 -7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.720 -1.303 -6.936 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.084 -2.914 -5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.459 -3.531 -5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.177 -3.686 -8.033 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.347 -4.834 -8.692 1.00 0.00 H new ATOM 1259 N LYS A 77 0.307 1.153 -6.856 1.00 0.00 N ATOM 1260 CA LYS A 77 0.645 2.489 -7.334 1.00 0.00 C ATOM 1261 C LYS A 77 0.248 3.552 -6.313 1.00 0.00 C ATOM 1262 O LYS A 77 0.867 4.613 -6.237 1.00 0.00 O ATOM 1263 CB LYS A 77 -0.047 2.761 -8.671 1.00 0.00 C ATOM 1264 CG LYS A 77 -1.563 2.822 -8.573 1.00 0.00 C ATOM 1265 CD LYS A 77 -2.218 2.607 -9.928 1.00 0.00 C ATOM 1266 CE LYS A 77 -3.733 2.667 -9.830 1.00 0.00 C ATOM 1267 NZ LYS A 77 -4.264 3.998 -10.234 1.00 0.00 N ATOM 0 H LYS A 77 -0.343 0.644 -7.454 1.00 0.00 H new ATOM 0 HA LYS A 77 1.725 2.537 -7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.320 3.704 -9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.231 1.981 -9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.914 2.063 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.864 3.790 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.867 3.366 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.916 1.640 -10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.169 1.895 -10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.039 2.449 -8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.301 3.997 -10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.869 4.733 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.994 4.195 -11.219 1.00 0.00 H new ATOM 1281 N GLU A 78 -0.787 3.259 -5.531 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.264 4.190 -4.514 1.00 0.00 C ATOM 1283 C GLU A 78 -0.156 4.531 -3.522 1.00 0.00 C ATOM 1284 O GLU A 78 -0.132 5.623 -2.955 1.00 0.00 O ATOM 1285 CB GLU A 78 -2.463 3.597 -3.773 1.00 0.00 C ATOM 1286 CG GLU A 78 -3.451 4.642 -3.280 1.00 0.00 C ATOM 1287 CD GLU A 78 -4.871 4.114 -3.212 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -5.093 3.092 -2.529 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -5.762 4.723 -3.842 1.00 0.00 O ATOM 0 H GLU A 78 -1.311 2.385 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.572 5.108 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.981 2.903 -4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.104 3.019 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.147 4.986 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.420 5.507 -3.942 1.00 0.00 H new ATOM 1296 N LEU A 79 0.760 3.589 -3.318 1.00 0.00 N ATOM 1297 CA LEU A 79 1.871 3.790 -2.395 1.00 0.00 C ATOM 1298 C LEU A 79 2.707 5.000 -2.801 1.00 0.00 C ATOM 1299 O LEU A 79 3.170 5.761 -1.951 1.00 0.00 O ATOM 1300 CB LEU A 79 2.754 2.540 -2.348 1.00 0.00 C ATOM 1301 CG LEU A 79 3.473 2.303 -1.019 1.00 0.00 C ATOM 1302 CD1 LEU A 79 4.258 3.539 -0.607 1.00 0.00 C ATOM 1303 CD2 LEU A 79 2.475 1.918 0.064 1.00 0.00 C ATOM 0 H LEU A 79 0.754 2.679 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 79 1.457 3.974 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.137 1.669 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.500 2.611 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 79 4.175 1.480 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.762 3.351 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.999 3.771 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.576 4.382 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.003 1.753 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.749 2.721 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.957 1.004 -0.227 1.00 0.00 H new ATOM 1315 N GLU A 80 2.895 5.172 -4.105 1.00 0.00 N ATOM 1316 CA GLU A 80 3.675 6.289 -4.624 1.00 0.00 C ATOM 1317 C GLU A 80 3.002 7.619 -4.301 1.00 0.00 C ATOM 1318 O GLU A 80 3.667 8.594 -3.951 1.00 0.00 O ATOM 1319 CB GLU A 80 3.858 6.151 -6.137 1.00 0.00 C ATOM 1320 CG GLU A 80 5.150 6.764 -6.652 1.00 0.00 C ATOM 1321 CD GLU A 80 4.956 8.169 -7.188 1.00 0.00 C ATOM 1322 OE1 GLU A 80 4.302 8.317 -8.242 1.00 0.00 O ATOM 1323 OE2 GLU A 80 5.458 9.120 -6.554 1.00 0.00 O ATOM 0 H GLU A 80 2.518 4.552 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 80 4.653 6.271 -4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.836 5.094 -6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.015 6.624 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.884 6.785 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.559 6.132 -7.440 1.00 0.00 H new ATOM 1330 N GLU A 81 1.679 7.653 -4.423 1.00 0.00 N ATOM 1331 CA GLU A 81 0.916 8.863 -4.143 1.00 0.00 C ATOM 1332 C GLU A 81 1.125 9.320 -2.703 1.00 0.00 C ATOM 1333 O GLU A 81 1.083 10.515 -2.407 1.00 0.00 O ATOM 1334 CB GLU A 81 -0.572 8.625 -4.404 1.00 0.00 C ATOM 1335 CG GLU A 81 -1.293 9.836 -4.972 1.00 0.00 C ATOM 1336 CD GLU A 81 -2.772 9.844 -4.640 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -3.140 9.341 -3.557 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -3.563 10.351 -5.463 1.00 0.00 O ATOM 0 H GLU A 81 1.113 6.856 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 81 1.274 9.649 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.682 7.790 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.053 8.331 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.832 10.744 -4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.168 9.854 -6.055 1.00 0.00 H new ATOM 1345 N LYS A 82 1.352 8.361 -1.811 1.00 0.00 N ATOM 1346 CA LYS A 82 1.568 8.665 -0.401 1.00 0.00 C ATOM 1347 C LYS A 82 2.963 9.238 -0.175 1.00 0.00 C ATOM 1348 O LYS A 82 3.172 10.050 0.727 1.00 0.00 O ATOM 1349 CB LYS A 82 1.377 7.406 0.448 1.00 0.00 C ATOM 1350 CG LYS A 82 -0.035 6.845 0.395 1.00 0.00 C ATOM 1351 CD LYS A 82 -0.850 7.271 1.605 1.00 0.00 C ATOM 1352 CE LYS A 82 -2.049 6.360 1.816 1.00 0.00 C ATOM 1353 NZ LYS A 82 -3.294 6.938 1.238 1.00 0.00 N ATOM 0 H LYS A 82 1.391 7.368 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 82 0.835 9.413 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.076 6.641 0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.630 7.634 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.529 7.185 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.006 5.757 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.219 7.256 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.190 8.298 1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.853 5.390 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.190 6.187 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.088 6.287 1.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.496 7.852 1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.169 7.079 0.215 1.00 0.00 H new ATOM 1367 N ARG A 83 3.914 8.810 -0.998 1.00 0.00 N ATOM 1368 CA ARG A 83 5.290 9.282 -0.888 1.00 0.00 C ATOM 1369 C ARG A 83 5.377 10.776 -1.171 1.00 0.00 C ATOM 1370 O ARG A 83 6.089 11.508 -0.481 1.00 0.00 O ATOM 1371 CB ARG A 83 6.194 8.513 -1.851 1.00 0.00 C ATOM 1372 CG ARG A 83 7.583 8.241 -1.298 1.00 0.00 C ATOM 1373 CD ARG A 83 8.134 6.916 -1.799 1.00 0.00 C ATOM 1374 NE ARG A 83 8.974 6.260 -0.800 1.00 0.00 N ATOM 1375 CZ ARG A 83 9.289 4.966 -0.831 1.00 0.00 C ATOM 1376 NH1 ARG A 83 8.836 4.189 -1.807 1.00 0.00 N ATOM 1377 NH2 ARG A 83 10.058 4.449 0.116 1.00 0.00 N ATOM 0 H ARG A 83 3.758 8.137 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 83 5.628 9.105 0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.720 7.564 -2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.286 9.078 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.255 9.048 -1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.546 8.232 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.308 6.258 -2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.714 7.084 -2.706 1.00 0.00 H new ATOM 0 HE ARG A 83 9.341 6.826 -0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.243 4.582 -2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.080 3.199 -1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.409 5.042 0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.299 3.458 0.093 1.00 0.00 H new ATOM 1391 N ARG A 84 4.653 11.227 -2.189 1.00 0.00 N ATOM 1392 CA ARG A 84 4.654 12.638 -2.557 1.00 0.00 C ATOM 1393 C ARG A 84 3.744 13.450 -1.647 1.00 0.00 C ATOM 1394 O ARG A 84 3.682 14.675 -1.753 1.00 0.00 O ATOM 1395 CB ARG A 84 4.234 12.813 -4.018 1.00 0.00 C ATOM 1396 CG ARG A 84 2.793 12.411 -4.290 1.00 0.00 C ATOM 1397 CD ARG A 84 1.999 13.552 -4.906 1.00 0.00 C ATOM 1398 NE ARG A 84 1.999 14.740 -4.056 1.00 0.00 N ATOM 1399 CZ ARG A 84 1.215 14.888 -2.990 1.00 0.00 C ATOM 1400 NH1 ARG A 84 0.369 13.927 -2.640 1.00 0.00 N ATOM 1401 NH2 ARG A 84 1.278 16.001 -2.270 1.00 0.00 N ATOM 0 H ARG A 84 4.059 10.638 -2.773 1.00 0.00 H new ATOM 0 HA ARG A 84 5.671 13.010 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.372 13.856 -4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 84 4.894 12.219 -4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.775 11.551 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.320 12.099 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.420 13.803 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.972 13.228 -5.077 1.00 0.00 H new ATOM 0 HE ARG A 84 2.637 15.500 -4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.317 13.069 -3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.229 14.047 -1.822 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.927 16.743 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.678 16.115 -1.453 1.00 0.00 H new ATOM 1415 N SER A 85 3.056 12.773 -0.735 1.00 0.00 N ATOM 1416 CA SER A 85 2.179 13.454 0.203 1.00 0.00 C ATOM 1417 C SER A 85 2.996 14.338 1.145 1.00 0.00 C ATOM 1418 O SER A 85 2.437 15.131 1.903 1.00 0.00 O ATOM 1419 CB SER A 85 1.366 12.439 1.009 1.00 0.00 C ATOM 1420 OG SER A 85 0.059 12.920 1.267 1.00 0.00 O ATOM 0 H SER A 85 3.089 11.759 -0.627 1.00 0.00 H new ATOM 0 HA SER A 85 1.491 14.082 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.309 11.498 0.462 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.872 12.230 1.951 1.00 0.00 H new ATOM 0 HG SER A 85 -0.440 12.252 1.782 1.00 0.00 H new ATOM 1426 N ARG A 86 4.322 14.194 1.096 1.00 0.00 N ATOM 1427 CA ARG A 86 5.207 14.983 1.951 1.00 0.00 C ATOM 1428 C ARG A 86 6.483 15.389 1.231 1.00 0.00 C ATOM 1429 O ARG A 86 7.228 16.255 1.690 1.00 0.00 O ATOM 1430 CB ARG A 86 5.556 14.199 3.211 1.00 0.00 C ATOM 1431 CG ARG A 86 4.358 13.905 4.099 1.00 0.00 C ATOM 1432 CD ARG A 86 3.749 15.182 4.655 1.00 0.00 C ATOM 1433 NE ARG A 86 3.397 15.051 6.067 1.00 0.00 N ATOM 1434 CZ ARG A 86 4.278 15.133 7.062 1.00 0.00 C ATOM 1435 NH1 ARG A 86 5.562 15.345 6.804 1.00 0.00 N ATOM 1436 NH2 ARG A 86 3.874 15.002 8.318 1.00 0.00 N ATOM 0 H ARG A 86 4.803 13.542 0.477 1.00 0.00 H new ATOM 0 HA ARG A 86 4.671 15.894 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.024 13.257 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.293 14.760 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.606 13.361 3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.664 13.258 4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.455 16.004 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.858 15.438 4.082 1.00 0.00 H new ATOM 0 HE ARG A 86 2.419 14.887 6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.878 15.446 5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.233 15.407 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.888 14.838 8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.549 15.065 9.080 1.00 0.00 H new ATOM 1450 N LEU A 87 6.716 14.757 0.108 1.00 0.00 N ATOM 1451 CA LEU A 87 7.895 15.027 -0.706 1.00 0.00 C ATOM 1452 C LEU A 87 9.173 14.724 0.069 1.00 0.00 C ATOM 1453 O LEU A 87 10.268 15.007 -0.462 1.00 0.00 O ATOM 1454 CB LEU A 87 7.899 16.485 -1.169 1.00 0.00 C ATOM 1455 CG LEU A 87 8.513 16.725 -2.549 1.00 0.00 C ATOM 1456 CD1 LEU A 87 7.466 16.547 -3.637 1.00 0.00 C ATOM 1457 CD2 LEU A 87 9.131 18.113 -2.622 1.00 0.00 C ATOM 1458 OXT LEU A 87 9.069 14.207 1.201 1.00 0.00 O ATOM 0 H LEU A 87 6.100 14.040 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 87 7.858 14.376 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.872 16.851 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.444 17.081 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 87 9.301 15.989 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.921 16.722 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.070 15.532 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.656 17.259 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.563 18.267 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.362 18.864 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.911 18.204 -1.867 1.00 0.00 H new TER 1470 LEU A 87 ATOM 1471 N GLY B 88 -21.491 -2.509 5.903 1.00 0.00 N ATOM 1472 CA GLY B 88 -21.602 -1.036 6.090 1.00 0.00 C ATOM 1473 C GLY B 88 -20.450 -0.282 5.456 1.00 0.00 C ATOM 1474 O GLY B 88 -20.627 0.401 4.447 1.00 0.00 O ATOM 0 HA2 GLY B 88 -22.541 -0.688 5.659 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -21.637 -0.810 7.156 1.00 0.00 H new ATOM 1480 N SER B 89 -19.267 -0.405 6.049 1.00 0.00 N ATOM 1481 CA SER B 89 -18.081 0.270 5.538 1.00 0.00 C ATOM 1482 C SER B 89 -18.274 1.784 5.538 1.00 0.00 C ATOM 1483 O SER B 89 -18.836 2.349 4.600 1.00 0.00 O ATOM 1484 CB SER B 89 -17.765 -0.213 4.121 1.00 0.00 C ATOM 1485 OG SER B 89 -17.500 -1.606 4.105 1.00 0.00 O ATOM 0 H SER B 89 -19.105 -0.967 6.885 1.00 0.00 H new ATOM 0 HA SER B 89 -17.245 0.027 6.194 1.00 0.00 H new ATOM 0 HB2 SER B 89 -18.605 0.008 3.462 1.00 0.00 H new ATOM 0 HB3 SER B 89 -16.903 0.329 3.732 1.00 0.00 H new ATOM 0 HG SER B 89 -17.303 -1.891 3.188 1.00 0.00 H new ATOM 1491 N GLY B 90 -17.804 2.434 6.598 1.00 0.00 N ATOM 1492 CA GLY B 90 -17.934 3.875 6.701 1.00 0.00 C ATOM 1493 C GLY B 90 -16.626 4.596 6.443 1.00 0.00 C ATOM 1494 O GLY B 90 -15.937 5.001 7.380 1.00 0.00 O ATOM 0 H GLY B 90 -17.336 1.988 7.387 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -18.682 4.221 5.988 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -18.298 4.134 7.696 1.00 0.00 H new ATOM 1498 N THR B 91 -16.281 4.756 5.170 1.00 0.00 N ATOM 1499 CA THR B 91 -15.046 5.432 4.791 1.00 0.00 C ATOM 1500 C THR B 91 -13.832 4.704 5.356 1.00 0.00 C ATOM 1501 O THR B 91 -13.966 3.803 6.184 1.00 0.00 O ATOM 1502 CB THR B 91 -15.062 6.881 5.283 1.00 0.00 C ATOM 1503 OG1 THR B 91 -16.392 7.335 5.460 1.00 0.00 O ATOM 1504 CG2 THR B 91 -14.371 7.841 4.339 1.00 0.00 C ATOM 0 H THR B 91 -16.840 4.426 4.383 1.00 0.00 H new ATOM 0 HA THR B 91 -14.976 5.426 3.703 1.00 0.00 H new ATOM 0 HB THR B 91 -14.518 6.872 6.228 1.00 0.00 H new ATOM 0 HG1 THR B 91 -16.382 8.262 5.776 1.00 0.00 H new ATOM 0 HG21 THR B 91 -14.418 8.850 4.747 1.00 0.00 H new ATOM 0 HG22 THR B 91 -13.328 7.547 4.220 1.00 0.00 H new ATOM 0 HG23 THR B 91 -14.868 7.818 3.369 1.00 0.00 H new ATOM 1512 N ASP B 92 -12.646 5.101 4.904 1.00 0.00 N ATOM 1513 CA ASP B 92 -11.408 4.486 5.366 1.00 0.00 C ATOM 1514 C ASP B 92 -10.604 5.458 6.224 1.00 0.00 C ATOM 1515 O ASP B 92 -10.863 6.662 6.224 1.00 0.00 O ATOM 1516 CB ASP B 92 -10.566 4.027 4.173 1.00 0.00 C ATOM 1517 CG ASP B 92 -10.964 2.649 3.682 1.00 0.00 C ATOM 1518 OD1 ASP B 92 -10.558 1.653 4.316 1.00 0.00 O ATOM 1519 OD2 ASP B 92 -11.681 2.566 2.663 1.00 0.00 O ATOM 0 H ASP B 92 -12.517 5.845 4.219 1.00 0.00 H new ATOM 0 HA ASP B 92 -11.668 3.620 5.975 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -10.672 4.744 3.359 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -9.513 4.019 4.456 1.00 0.00 H new ATOM 1524 N LYS B 93 -9.629 4.928 6.955 1.00 0.00 N ATOM 1525 CA LYS B 93 -8.788 5.749 7.818 1.00 0.00 C ATOM 1526 C LYS B 93 -7.441 5.077 8.063 1.00 0.00 C ATOM 1527 O LYS B 93 -6.389 5.694 7.895 1.00 0.00 O ATOM 1528 CB LYS B 93 -9.490 6.009 9.153 1.00 0.00 C ATOM 1529 CG LYS B 93 -9.114 7.338 9.788 1.00 0.00 C ATOM 1530 CD LYS B 93 -9.090 7.242 11.306 1.00 0.00 C ATOM 1531 CE LYS B 93 -7.684 6.988 11.825 1.00 0.00 C ATOM 1532 NZ LYS B 93 -7.696 6.324 13.157 1.00 0.00 N ATOM 0 H LYS B 93 -9.402 3.934 6.967 1.00 0.00 H new ATOM 0 HA LYS B 93 -8.614 6.700 7.315 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -10.569 5.982 8.998 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -9.247 5.203 9.845 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -8.135 7.651 9.426 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.827 8.104 9.482 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -9.477 8.166 11.736 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -9.750 6.438 11.631 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.141 6.365 11.114 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -7.147 7.934 11.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -6.718 6.168 13.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -8.192 6.929 13.842 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.186 5.410 13.085 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.480 3.809 8.460 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.262 3.054 8.726 1.00 0.00 C ATOM 1548 C GLU B 94 -5.593 2.621 7.426 1.00 0.00 C ATOM 1549 O GLU B 94 -4.373 2.461 7.368 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.575 1.827 9.585 1.00 0.00 C ATOM 1551 CG GLU B 94 -5.448 1.444 10.531 1.00 0.00 C ATOM 1552 CD GLU B 94 -5.711 1.885 11.958 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -6.809 1.597 12.477 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -4.816 2.521 12.556 1.00 0.00 O ATOM 0 H GLU B 94 -8.342 3.283 8.604 1.00 0.00 H new ATOM 0 HA GLU B 94 -5.574 3.703 9.268 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.476 2.021 10.166 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -6.793 0.982 8.932 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -5.310 0.363 10.508 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -4.517 1.891 10.182 1.00 0.00 H new ATOM 1561 N LEU B 95 -6.396 2.435 6.382 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.878 2.023 5.082 1.00 0.00 C ATOM 1563 C LEU B 95 -4.801 2.987 4.597 1.00 0.00 C ATOM 1564 O LEU B 95 -3.819 2.577 3.978 1.00 0.00 O ATOM 1565 CB LEU B 95 -7.012 1.949 4.058 1.00 0.00 C ATOM 1566 CG LEU B 95 -6.581 1.573 2.639 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -7.670 0.771 1.945 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -6.241 2.821 1.838 1.00 0.00 C ATOM 0 H LEU B 95 -7.407 2.563 6.411 1.00 0.00 H new ATOM 0 HA LEU B 95 -5.433 1.034 5.192 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.746 1.221 4.403 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.514 2.916 4.024 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.688 0.952 2.703 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.345 0.513 0.937 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.865 -0.142 2.508 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -8.582 1.366 1.891 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.936 2.535 0.831 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.117 3.468 1.782 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.426 3.356 2.326 1.00 0.00 H new ATOM 1580 N SER B 96 -4.992 4.271 4.884 1.00 0.00 N ATOM 1581 CA SER B 96 -4.037 5.295 4.481 1.00 0.00 C ATOM 1582 C SER B 96 -2.826 5.303 5.408 1.00 0.00 C ATOM 1583 O SER B 96 -1.712 5.621 4.988 1.00 0.00 O ATOM 1584 CB SER B 96 -4.704 6.672 4.481 1.00 0.00 C ATOM 1585 OG SER B 96 -5.470 6.867 5.657 1.00 0.00 O ATOM 0 H SER B 96 -5.800 4.626 5.395 1.00 0.00 H new ATOM 0 HA SER B 96 -3.698 5.064 3.471 1.00 0.00 H new ATOM 0 HB2 SER B 96 -3.943 7.448 4.406 1.00 0.00 H new ATOM 0 HB3 SER B 96 -5.345 6.769 3.605 1.00 0.00 H new ATOM 0 HG SER B 96 -5.194 6.219 6.339 1.00 0.00 H new ATOM 1591 N ASP B 97 -3.049 4.951 6.670 1.00 0.00 N ATOM 1592 CA ASP B 97 -1.976 4.918 7.656 1.00 0.00 C ATOM 1593 C ASP B 97 -1.005 3.778 7.366 1.00 0.00 C ATOM 1594 O ASP B 97 0.191 3.882 7.638 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.552 4.768 9.065 1.00 0.00 C ATOM 1596 CG ASP B 97 -3.328 5.993 9.506 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -3.064 7.089 8.967 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -4.200 5.857 10.390 1.00 0.00 O ATOM 0 H ASP B 97 -3.964 4.684 7.034 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.431 5.860 7.593 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.206 3.896 9.096 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -1.740 4.583 9.769 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.529 2.688 6.814 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.709 1.527 6.488 1.00 0.00 C ATOM 1605 C LEU B 98 0.202 1.819 5.300 1.00 0.00 C ATOM 1606 O LEU B 98 1.348 1.374 5.260 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.597 0.320 6.180 1.00 0.00 C ATOM 1608 CG LEU B 98 -2.463 -0.162 7.345 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -3.474 -1.193 6.868 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.592 -0.739 8.451 1.00 0.00 C ATOM 0 H LEU B 98 -2.517 2.585 6.583 1.00 0.00 H new ATOM 0 HA LEU B 98 -0.086 1.300 7.353 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -2.248 0.572 5.343 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.963 -0.504 5.854 1.00 0.00 H new ATOM 0 HG LEU B 98 -3.008 0.692 7.746 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -4.081 -1.524 7.711 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -4.118 -0.747 6.110 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -2.949 -2.047 6.441 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -2.224 -1.077 9.272 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -1.020 -1.582 8.062 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.907 0.028 8.812 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.316 2.571 4.334 1.00 0.00 N ATOM 1623 CA LEU B 99 0.452 2.923 3.146 1.00 0.00 C ATOM 1624 C LEU B 99 1.426 4.058 3.443 1.00 0.00 C ATOM 1625 O LEU B 99 2.563 4.054 2.970 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.488 3.326 2.007 1.00 0.00 C ATOM 1627 CG LEU B 99 -0.949 2.177 1.110 1.00 0.00 C ATOM 1628 CD1 LEU B 99 -2.219 1.547 1.661 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -1.170 2.667 -0.313 1.00 0.00 C ATOM 0 H LEU B 99 -1.264 2.948 4.351 1.00 0.00 H new ATOM 0 HA LEU B 99 1.026 2.047 2.842 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.367 3.807 2.435 1.00 0.00 H new ATOM 0 HB3 LEU B 99 0.014 4.070 1.389 1.00 0.00 H new ATOM 0 HG LEU B 99 -0.167 1.418 1.094 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -2.533 0.731 1.010 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -2.028 1.160 2.662 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.008 2.298 1.707 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -1.498 1.836 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -1.933 3.445 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.238 3.071 -0.707 1.00 0.00 H new ATOM 1641 N ASP B 100 0.974 5.029 4.229 1.00 0.00 N ATOM 1642 CA ASP B 100 1.807 6.171 4.591 1.00 0.00 C ATOM 1643 C ASP B 100 3.064 5.719 5.326 1.00 0.00 C ATOM 1644 O ASP B 100 4.113 6.355 5.229 1.00 0.00 O ATOM 1645 CB ASP B 100 1.016 7.149 5.462 1.00 0.00 C ATOM 1646 CG ASP B 100 1.625 8.537 5.472 1.00 0.00 C ATOM 1647 OD1 ASP B 100 1.341 9.317 4.538 1.00 0.00 O ATOM 1648 OD2 ASP B 100 2.387 8.845 6.413 1.00 0.00 O ATOM 0 H ASP B 100 0.035 5.049 4.628 1.00 0.00 H new ATOM 0 HA ASP B 100 2.108 6.674 3.672 1.00 0.00 H new ATOM 0 HB2 ASP B 100 -0.010 7.208 5.098 1.00 0.00 H new ATOM 0 HB3 ASP B 100 0.971 6.768 6.482 1.00 0.00 H new ATOM 1653 N PHE B 101 2.950 4.617 6.059 1.00 0.00 N ATOM 1654 CA PHE B 101 4.079 4.079 6.811 1.00 0.00 C ATOM 1655 C PHE B 101 5.244 3.750 5.884 1.00 0.00 C ATOM 1656 O PHE B 101 6.370 4.200 6.102 1.00 0.00 O ATOM 1657 CB PHE B 101 3.653 2.826 7.579 1.00 0.00 C ATOM 1658 CG PHE B 101 4.724 2.279 8.481 1.00 0.00 C ATOM 1659 CD1 PHE B 101 5.844 1.659 7.950 1.00 0.00 C ATOM 1660 CD2 PHE B 101 4.609 2.383 9.857 1.00 0.00 C ATOM 1661 CE1 PHE B 101 6.830 1.154 8.776 1.00 0.00 C ATOM 1662 CE2 PHE B 101 5.592 1.879 10.688 1.00 0.00 C ATOM 1663 CZ PHE B 101 6.704 1.264 10.146 1.00 0.00 C ATOM 0 H PHE B 101 2.088 4.079 6.149 1.00 0.00 H new ATOM 0 HA PHE B 101 4.408 4.839 7.520 1.00 0.00 H new ATOM 0 HB2 PHE B 101 2.771 3.058 8.176 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.361 2.055 6.866 1.00 0.00 H new ATOM 0 HD1 PHE B 101 5.947 1.570 6.879 1.00 0.00 H new ATOM 0 HD2 PHE B 101 3.742 2.863 10.286 1.00 0.00 H new ATOM 0 HE1 PHE B 101 7.698 0.674 8.350 1.00 0.00 H new ATOM 0 HE2 PHE B 101 5.491 1.966 11.760 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.473 0.870 10.793 1.00 0.00 H new ATOM 1673 N SER B 102 4.967 2.962 4.850 1.00 0.00 N ATOM 1674 CA SER B 102 5.993 2.575 3.889 1.00 0.00 C ATOM 1675 C SER B 102 6.552 3.795 3.166 1.00 0.00 C ATOM 1676 O SER B 102 7.726 3.827 2.797 1.00 0.00 O ATOM 1677 CB SER B 102 5.422 1.582 2.875 1.00 0.00 C ATOM 1678 OG SER B 102 6.447 1.034 2.065 1.00 0.00 O ATOM 0 H SER B 102 4.041 2.579 4.656 1.00 0.00 H new ATOM 0 HA SER B 102 6.806 2.098 4.436 1.00 0.00 H new ATOM 0 HB2 SER B 102 4.901 0.781 3.400 1.00 0.00 H new ATOM 0 HB3 SER B 102 4.686 2.083 2.246 1.00 0.00 H new ATOM 0 HG SER B 102 6.815 0.236 2.499 1.00 0.00 H new ATOM 1684 N ALA B 103 5.703 4.797 2.965 1.00 0.00 N ATOM 1685 CA ALA B 103 6.112 6.020 2.285 1.00 0.00 C ATOM 1686 C ALA B 103 7.008 6.871 3.178 1.00 0.00 C ATOM 1687 O ALA B 103 7.892 7.577 2.694 1.00 0.00 O ATOM 1688 CB ALA B 103 4.889 6.815 1.850 1.00 0.00 C ATOM 0 H ALA B 103 4.728 4.786 3.263 1.00 0.00 H new ATOM 0 HA ALA B 103 6.685 5.741 1.401 1.00 0.00 H new ATOM 0 HB1 ALA B 103 5.208 7.726 1.344 1.00 0.00 H new ATOM 0 HB2 ALA B 103 4.287 6.213 1.169 1.00 0.00 H new ATOM 0 HB3 ALA B 103 4.294 7.076 2.725 1.00 0.00 H new ATOM 1694 N MET B 104 6.773 6.799 4.485 1.00 0.00 N ATOM 1695 CA MET B 104 7.560 7.564 5.446 1.00 0.00 C ATOM 1696 C MET B 104 8.817 6.801 5.848 1.00 0.00 C ATOM 1697 O MET B 104 9.927 7.329 5.773 1.00 0.00 O ATOM 1698 CB MET B 104 6.721 7.880 6.685 1.00 0.00 C ATOM 1699 CG MET B 104 5.515 8.758 6.396 1.00 0.00 C ATOM 1700 SD MET B 104 5.857 10.511 6.645 1.00 0.00 S ATOM 1701 CE MET B 104 5.628 10.653 8.416 1.00 0.00 C ATOM 0 H MET B 104 6.045 6.219 4.902 1.00 0.00 H new ATOM 0 HA MET B 104 7.861 8.498 4.972 1.00 0.00 H new ATOM 0 HB2 MET B 104 6.381 6.945 7.131 1.00 0.00 H new ATOM 0 HB3 MET B 104 7.351 8.375 7.424 1.00 0.00 H new ATOM 0 HG2 MET B 104 5.192 8.597 5.368 1.00 0.00 H new ATOM 0 HG3 MET B 104 4.689 8.458 7.041 1.00 0.00 H new ATOM 0 HE1 MET B 104 5.805 11.683 8.724 1.00 0.00 H new ATOM 0 HE2 MET B 104 4.609 10.367 8.675 1.00 0.00 H new ATOM 0 HE3 MET B 104 6.331 9.995 8.928 1.00 0.00 H new ATOM 1711 N PHE B 105 8.636 5.556 6.277 1.00 0.00 N ATOM 1712 CA PHE B 105 9.756 4.719 6.692 1.00 0.00 C ATOM 1713 C PHE B 105 10.093 3.689 5.619 1.00 0.00 C ATOM 1714 O PHE B 105 9.308 3.456 4.700 1.00 0.00 O ATOM 1715 CB PHE B 105 9.432 4.013 8.010 1.00 0.00 C ATOM 1716 CG PHE B 105 9.076 4.955 9.124 1.00 0.00 C ATOM 1717 CD1 PHE B 105 10.060 5.684 9.773 1.00 0.00 C ATOM 1718 CD2 PHE B 105 7.758 5.111 9.524 1.00 0.00 C ATOM 1719 CE1 PHE B 105 9.736 6.552 10.798 1.00 0.00 C ATOM 1720 CE2 PHE B 105 7.428 5.977 10.549 1.00 0.00 C ATOM 1721 CZ PHE B 105 8.418 6.699 11.187 1.00 0.00 C ATOM 0 H PHE B 105 7.724 5.104 6.346 1.00 0.00 H new ATOM 0 HA PHE B 105 10.624 5.363 6.837 1.00 0.00 H new ATOM 0 HB2 PHE B 105 8.603 3.324 7.849 1.00 0.00 H new ATOM 0 HB3 PHE B 105 10.291 3.414 8.312 1.00 0.00 H new ATOM 0 HD1 PHE B 105 11.092 5.572 9.474 1.00 0.00 H new ATOM 0 HD2 PHE B 105 6.980 4.549 9.029 1.00 0.00 H new ATOM 0 HE1 PHE B 105 10.512 7.115 11.295 1.00 0.00 H new ATOM 0 HE2 PHE B 105 6.397 6.089 10.851 1.00 0.00 H new ATOM 0 HZ PHE B 105 8.163 7.377 11.988 1.00 0.00 H new ATOM 1731 N SER B 106 11.265 3.076 5.743 1.00 0.00 N ATOM 1732 CA SER B 106 11.706 2.069 4.784 1.00 0.00 C ATOM 1733 C SER B 106 13.033 1.453 5.213 1.00 0.00 C ATOM 1734 O SER B 106 13.118 0.208 5.264 1.00 0.00 O ATOM 1735 CB SER B 106 11.845 2.688 3.391 1.00 0.00 C ATOM 1736 OG SER B 106 12.622 3.872 3.434 1.00 0.00 O ATOM 1737 OXT SER B 106 13.978 2.221 5.493 1.00 0.00 O ATOM 0 H SER B 106 11.927 3.258 6.498 1.00 0.00 H new ATOM 0 HA SER B 106 10.954 1.281 4.751 1.00 0.00 H new ATOM 0 HB2 SER B 106 12.309 1.969 2.715 1.00 0.00 H new ATOM 0 HB3 SER B 106 10.857 2.912 2.989 1.00 0.00 H new ATOM 0 HG SER B 106 13.310 3.786 4.126 1.00 0.00 H new TER 1743 SER B 106