USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 859 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 ASN : amide:sc= -0.4 K(o=-0.43,f=-3.1) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -141:sc= -0.0252 (180deg=-0.208) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 0.253 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 41:sc= 0.704 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 17 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.16) USER MOD Single : A 18 LYS NZ :NH3+ -148:sc= -1.64! (180deg=-1.74!) USER MOD Single : A 22 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.18) USER MOD Single : A 23 SER OG : rot -110:sc= -3.62! USER MOD Single : A 24 MET CE :methyl 173:sc= 0 (180deg=-0.0896) USER MOD Single : A 26 GLN : amide:sc= -2.77! C(o=-2.8!,f=-3.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.407) USER MOD Single : A 41 LYS NZ :NH3+ -132:sc= -1.62 (180deg=-3.88) USER MOD Single : A 43 TYR OH : rot 30:sc=-0.00626 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= 0.111 (180deg=0.0526) USER MOD Single : A 48 GLN : amide:sc= -3.24 K(o=-3.2,f=-7.9!) USER MOD Single : A 50 THR OG1 : rot -100:sc= 0.884 USER MOD Single : A 54 CYS SG : rot 107:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.64) USER MOD Single : A 56 MET CE :methyl -146:sc= -0.839 (180deg=-3.73!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= -0.0148 (180deg=-0.0148) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= -0.93 (180deg=-1) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= -3.64! (180deg=-4.25!) USER MOD Single : A 74 ASN : amide:sc= -0.0618 K(o=-0.062,f=-0.75) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -1.83 K(o=-1.8,f=-4.2!) USER MOD Single : A 87 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.947 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 170:sc= 0 USER MOD Single : A 98 SER OG : rot 23:sc= 0.163 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.987 1.534 -27.012 1.00 0.00 N ATOM 2 CA GLY A 1 -27.442 0.266 -27.461 1.00 0.00 C ATOM 3 C GLY A 1 -26.630 -0.429 -26.386 1.00 0.00 C ATOM 4 O GLY A 1 -27.164 -0.811 -25.344 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.533 1.969 -27.782 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.609 1.374 -26.194 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.210 2.168 -26.738 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.257 -0.386 -27.775 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.813 0.433 -28.336 1.00 0.00 H new ATOM 8 N SER A 2 -25.336 -0.596 -26.639 1.00 0.00 N ATOM 9 CA SER A 2 -24.450 -1.255 -25.687 1.00 0.00 C ATOM 10 C SER A 2 -23.034 -0.695 -25.785 1.00 0.00 C ATOM 11 O SER A 2 -22.754 0.173 -26.612 1.00 0.00 O ATOM 12 CB SER A 2 -24.431 -2.764 -25.936 1.00 0.00 C ATOM 13 OG SER A 2 -25.573 -3.388 -25.374 1.00 0.00 O ATOM 0 H SER A 2 -24.878 -0.284 -27.495 1.00 0.00 H new ATOM 0 HA SER A 2 -24.830 -1.064 -24.683 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.397 -2.958 -27.008 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.528 -3.196 -25.505 1.00 0.00 H new ATOM 0 HG SER A 2 -26.247 -2.708 -25.164 1.00 0.00 H new ATOM 19 N SER A 3 -22.145 -1.198 -24.935 1.00 0.00 N ATOM 20 CA SER A 3 -20.759 -0.746 -24.922 1.00 0.00 C ATOM 21 C SER A 3 -19.807 -1.904 -25.207 1.00 0.00 C ATOM 22 O SER A 3 -19.436 -2.653 -24.304 1.00 0.00 O ATOM 23 CB SER A 3 -20.419 -0.112 -23.572 1.00 0.00 C ATOM 24 OG SER A 3 -21.052 1.148 -23.427 1.00 0.00 O ATOM 0 H SER A 3 -22.360 -1.919 -24.246 1.00 0.00 H new ATOM 0 HA SER A 3 -20.640 0.001 -25.706 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.733 -0.775 -22.766 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.339 0.008 -23.484 1.00 0.00 H new ATOM 0 HG SER A 3 -20.821 1.532 -22.556 1.00 0.00 H new ATOM 30 N GLY A 4 -19.414 -2.043 -26.470 1.00 0.00 N ATOM 31 CA GLY A 4 -18.510 -3.111 -26.852 1.00 0.00 C ATOM 32 C GLY A 4 -19.241 -4.388 -27.216 1.00 0.00 C ATOM 33 O GLY A 4 -20.086 -4.393 -28.111 1.00 0.00 O ATOM 0 H GLY A 4 -19.706 -1.435 -27.235 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.908 -2.787 -27.700 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.822 -3.311 -26.031 1.00 0.00 H new ATOM 37 N SER A 5 -18.915 -5.473 -26.522 1.00 0.00 N ATOM 38 CA SER A 5 -19.543 -6.763 -26.781 1.00 0.00 C ATOM 39 C SER A 5 -19.177 -7.773 -25.697 1.00 0.00 C ATOM 40 O SER A 5 -18.296 -7.525 -24.874 1.00 0.00 O ATOM 41 CB SER A 5 -19.120 -7.294 -28.152 1.00 0.00 C ATOM 42 OG SER A 5 -17.747 -7.646 -28.161 1.00 0.00 O ATOM 0 H SER A 5 -18.220 -5.485 -25.776 1.00 0.00 H new ATOM 0 HA SER A 5 -20.624 -6.621 -26.772 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.723 -8.164 -28.411 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.310 -6.537 -28.913 1.00 0.00 H new ATOM 0 HG SER A 5 -17.502 -7.984 -29.048 1.00 0.00 H new ATOM 48 N SER A 6 -19.861 -8.913 -25.704 1.00 0.00 N ATOM 49 CA SER A 6 -19.611 -9.960 -24.719 1.00 0.00 C ATOM 50 C SER A 6 -18.307 -10.690 -25.022 1.00 0.00 C ATOM 51 O SER A 6 -18.077 -11.133 -26.147 1.00 0.00 O ATOM 52 CB SER A 6 -20.773 -10.955 -24.697 1.00 0.00 C ATOM 53 OG SER A 6 -21.800 -10.520 -23.822 1.00 0.00 O ATOM 0 H SER A 6 -20.592 -9.135 -26.380 1.00 0.00 H new ATOM 0 HA SER A 6 -19.525 -9.491 -23.739 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.174 -11.073 -25.704 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.412 -11.934 -24.381 1.00 0.00 H new ATOM 0 HG SER A 6 -22.532 -11.172 -23.827 1.00 0.00 H new ATOM 59 N GLY A 7 -17.455 -10.813 -24.008 1.00 0.00 N ATOM 60 CA GLY A 7 -16.184 -11.490 -24.185 1.00 0.00 C ATOM 61 C GLY A 7 -15.740 -12.225 -22.935 1.00 0.00 C ATOM 62 O GLY A 7 -16.338 -13.229 -22.553 1.00 0.00 O ATOM 0 H GLY A 7 -17.623 -10.456 -23.067 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.265 -12.198 -25.010 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.423 -10.761 -24.464 1.00 0.00 H new ATOM 66 N MET A 8 -14.686 -11.723 -22.299 1.00 0.00 N ATOM 67 CA MET A 8 -14.162 -12.340 -21.086 1.00 0.00 C ATOM 68 C MET A 8 -13.980 -11.301 -19.984 1.00 0.00 C ATOM 69 O MET A 8 -14.395 -11.512 -18.845 1.00 0.00 O ATOM 70 CB MET A 8 -12.830 -13.033 -21.375 1.00 0.00 C ATOM 71 CG MET A 8 -12.475 -14.113 -20.366 1.00 0.00 C ATOM 72 SD MET A 8 -13.288 -15.684 -20.714 1.00 0.00 S ATOM 73 CE MET A 8 -12.110 -16.433 -21.836 1.00 0.00 C ATOM 0 H MET A 8 -14.179 -10.892 -22.603 1.00 0.00 H new ATOM 0 HA MET A 8 -14.883 -13.083 -20.745 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.869 -13.476 -22.370 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.037 -12.286 -21.389 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.395 -14.260 -20.362 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.754 -13.777 -19.367 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.472 -17.414 -22.142 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.991 -15.800 -22.715 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.148 -16.542 -21.335 1.00 0.00 H new ATOM 83 N ASN A 9 -13.356 -10.180 -20.330 1.00 0.00 N ATOM 84 CA ASN A 9 -13.119 -9.109 -19.369 1.00 0.00 C ATOM 85 C ASN A 9 -12.646 -9.672 -18.033 1.00 0.00 C ATOM 86 O ASN A 9 -13.208 -9.361 -16.983 1.00 0.00 O ATOM 87 CB ASN A 9 -14.392 -8.285 -19.167 1.00 0.00 C ATOM 88 CG ASN A 9 -14.929 -7.722 -20.468 1.00 0.00 C ATOM 89 OD1 ASN A 9 -16.050 -8.029 -20.875 1.00 0.00 O ATOM 90 ND2 ASN A 9 -14.130 -6.892 -21.128 1.00 0.00 N ATOM 0 H ASN A 9 -13.005 -9.990 -21.269 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.337 -8.463 -19.768 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.155 -8.909 -18.702 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -14.186 -7.466 -18.478 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -14.438 -6.481 -22.009 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -13.209 -6.665 -20.754 1.00 0.00 H new ATOM 97 N ARG A 10 -11.609 -10.502 -18.080 1.00 0.00 N ATOM 98 CA ARG A 10 -11.061 -11.110 -16.874 1.00 0.00 C ATOM 99 C ARG A 10 -9.992 -10.215 -16.252 1.00 0.00 C ATOM 100 O ARG A 10 -8.865 -10.650 -16.011 1.00 0.00 O ATOM 101 CB ARG A 10 -10.468 -12.484 -17.193 1.00 0.00 C ATOM 102 CG ARG A 10 -10.311 -13.377 -15.973 1.00 0.00 C ATOM 103 CD ARG A 10 -9.841 -14.770 -16.360 1.00 0.00 C ATOM 104 NE ARG A 10 -8.429 -14.788 -16.735 1.00 0.00 N ATOM 105 CZ ARG A 10 -7.775 -15.890 -17.082 1.00 0.00 C ATOM 106 NH1 ARG A 10 -8.401 -17.059 -17.102 1.00 0.00 N ATOM 107 NH2 ARG A 10 -6.491 -15.825 -17.410 1.00 0.00 N ATOM 0 H ARG A 10 -11.131 -10.769 -18.941 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.873 -11.230 -16.157 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.106 -12.986 -17.921 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.494 -12.350 -17.663 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.596 -12.929 -15.282 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.263 -13.446 -15.446 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.003 -15.452 -15.525 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.442 -15.137 -17.192 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.918 -13.905 -16.730 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.388 -17.113 -16.850 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.896 -17.904 -17.369 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.006 -14.928 -17.396 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.989 -16.672 -17.676 1.00 0.00 H new ATOM 121 N THR A 11 -10.354 -8.962 -15.994 1.00 0.00 N ATOM 122 CA THR A 11 -9.427 -8.006 -15.402 1.00 0.00 C ATOM 123 C THR A 11 -8.705 -8.610 -14.203 1.00 0.00 C ATOM 124 O THR A 11 -9.277 -8.735 -13.120 1.00 0.00 O ATOM 125 CB THR A 11 -10.152 -6.722 -14.957 1.00 0.00 C ATOM 126 OG1 THR A 11 -11.209 -7.047 -14.047 1.00 0.00 O ATOM 127 CG2 THR A 11 -10.720 -5.978 -16.156 1.00 0.00 C ATOM 0 H THR A 11 -11.283 -8.586 -16.186 1.00 0.00 H new ATOM 0 HA THR A 11 -8.698 -7.754 -16.172 1.00 0.00 H new ATOM 0 HB THR A 11 -9.429 -6.077 -14.458 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.903 -7.738 -13.423 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.227 -5.075 -15.817 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.910 -5.707 -16.833 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.430 -6.619 -16.679 1.00 0.00 H new ATOM 135 N ALA A 12 -7.445 -8.982 -14.403 1.00 0.00 N ATOM 136 CA ALA A 12 -6.644 -9.571 -13.336 1.00 0.00 C ATOM 137 C ALA A 12 -6.798 -8.787 -12.038 1.00 0.00 C ATOM 138 O ALA A 12 -6.592 -7.574 -12.006 1.00 0.00 O ATOM 139 CB ALA A 12 -5.181 -9.632 -13.748 1.00 0.00 C ATOM 0 H ALA A 12 -6.957 -8.886 -15.293 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.004 -10.585 -13.162 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.594 -10.074 -12.943 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.081 -10.242 -14.646 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.818 -8.625 -13.951 1.00 0.00 H new ATOM 145 N MET A 13 -7.162 -9.487 -10.968 1.00 0.00 N ATOM 146 CA MET A 13 -7.343 -8.856 -9.667 1.00 0.00 C ATOM 147 C MET A 13 -5.999 -8.621 -8.984 1.00 0.00 C ATOM 148 O MET A 13 -5.835 -8.912 -7.799 1.00 0.00 O ATOM 149 CB MET A 13 -8.236 -9.721 -8.776 1.00 0.00 C ATOM 150 CG MET A 13 -8.975 -8.932 -7.707 1.00 0.00 C ATOM 151 SD MET A 13 -9.896 -9.991 -6.574 1.00 0.00 S ATOM 152 CE MET A 13 -8.865 -9.900 -5.112 1.00 0.00 C ATOM 0 H MET A 13 -7.337 -10.492 -10.977 1.00 0.00 H new ATOM 0 HA MET A 13 -7.824 -7.891 -9.824 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.963 -10.241 -9.400 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.625 -10.485 -8.295 1.00 0.00 H new ATOM 0 HG2 MET A 13 -8.259 -8.336 -7.141 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.662 -8.234 -8.186 1.00 0.00 H new ATOM 0 HE1 MET A 13 -9.304 -10.506 -4.319 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.868 -10.275 -5.346 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.795 -8.864 -4.780 1.00 0.00 H new ATOM 162 N ARG A 14 -5.041 -8.095 -9.740 1.00 0.00 N ATOM 163 CA ARG A 14 -3.711 -7.824 -9.208 1.00 0.00 C ATOM 164 C ARG A 14 -3.114 -6.574 -9.848 1.00 0.00 C ATOM 165 O ARG A 14 -3.350 -6.292 -11.022 1.00 0.00 O ATOM 166 CB ARG A 14 -2.789 -9.021 -9.446 1.00 0.00 C ATOM 167 CG ARG A 14 -2.236 -9.092 -10.860 1.00 0.00 C ATOM 168 CD ARG A 14 -1.046 -10.035 -10.946 1.00 0.00 C ATOM 169 NE ARG A 14 -0.860 -10.561 -12.296 1.00 0.00 N ATOM 170 CZ ARG A 14 -0.341 -9.855 -13.295 1.00 0.00 C ATOM 171 NH1 ARG A 14 0.043 -8.602 -13.096 1.00 0.00 N ATOM 172 NH2 ARG A 14 -0.204 -10.403 -14.495 1.00 0.00 N ATOM 0 H ARG A 14 -5.161 -7.848 -10.722 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.804 -7.654 -8.135 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.958 -8.975 -8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.337 -9.939 -9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.018 -9.428 -11.541 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.936 -8.096 -11.185 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.144 -9.509 -10.635 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.188 -10.863 -10.251 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.144 -11.523 -12.482 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.060 -8.177 -12.174 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.441 -8.062 -13.865 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.497 -11.367 -14.652 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.194 -9.860 -15.261 1.00 0.00 H new ATOM 186 N ALA A 15 -2.340 -5.827 -9.066 1.00 0.00 N ATOM 187 CA ALA A 15 -1.708 -4.609 -9.557 1.00 0.00 C ATOM 188 C ALA A 15 -0.205 -4.800 -9.728 1.00 0.00 C ATOM 189 O ALA A 15 0.327 -5.879 -9.467 1.00 0.00 O ATOM 190 CB ALA A 15 -1.991 -3.451 -8.611 1.00 0.00 C ATOM 0 H ALA A 15 -2.136 -6.044 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.131 -4.378 -10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.513 -2.547 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.067 -3.291 -8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.596 -3.684 -7.622 1.00 0.00 H new ATOM 196 N SER A 16 0.474 -3.746 -10.169 1.00 0.00 N ATOM 197 CA SER A 16 1.916 -3.799 -10.379 1.00 0.00 C ATOM 198 C SER A 16 2.604 -2.600 -9.735 1.00 0.00 C ATOM 199 O SER A 16 1.962 -1.786 -9.072 1.00 0.00 O ATOM 200 CB SER A 16 2.233 -3.841 -11.875 1.00 0.00 C ATOM 201 OG SER A 16 3.437 -4.546 -12.122 1.00 0.00 O ATOM 0 H SER A 16 0.049 -2.845 -10.388 1.00 0.00 H new ATOM 0 HA SER A 16 2.294 -4.707 -9.909 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.412 -4.318 -12.410 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.317 -2.825 -12.261 1.00 0.00 H new ATOM 0 HG SER A 16 3.616 -4.560 -13.085 1.00 0.00 H new ATOM 207 N GLN A 17 3.914 -2.499 -9.936 1.00 0.00 N ATOM 208 CA GLN A 17 4.690 -1.399 -9.374 1.00 0.00 C ATOM 209 C GLN A 17 4.228 -0.061 -9.941 1.00 0.00 C ATOM 210 O GLN A 17 3.728 0.796 -9.212 1.00 0.00 O ATOM 211 CB GLN A 17 6.179 -1.601 -9.658 1.00 0.00 C ATOM 212 CG GLN A 17 7.071 -0.566 -8.991 1.00 0.00 C ATOM 213 CD GLN A 17 6.823 -0.457 -7.500 1.00 0.00 C ATOM 214 OE1 GLN A 17 7.248 -1.313 -6.723 1.00 0.00 O ATOM 215 NE2 GLN A 17 6.132 0.601 -7.090 1.00 0.00 N ATOM 0 H GLN A 17 4.460 -3.165 -10.483 1.00 0.00 H new ATOM 0 HA GLN A 17 4.531 -1.389 -8.296 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.473 -2.594 -9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.343 -1.570 -10.735 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.115 -0.826 -9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.904 0.406 -9.455 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.799 1.286 -7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.935 0.728 -6.097 1.00 0.00 H new ATOM 224 N LYS A 18 4.399 0.112 -11.248 1.00 0.00 N ATOM 225 CA LYS A 18 3.999 1.346 -11.915 1.00 0.00 C ATOM 226 C LYS A 18 2.615 1.790 -11.452 1.00 0.00 C ATOM 227 O LYS A 18 2.308 2.983 -11.439 1.00 0.00 O ATOM 228 CB LYS A 18 4.003 1.153 -13.433 1.00 0.00 C ATOM 229 CG LYS A 18 2.821 0.348 -13.947 1.00 0.00 C ATOM 230 CD LYS A 18 3.141 -1.136 -14.006 1.00 0.00 C ATOM 231 CE LYS A 18 3.795 -1.513 -15.326 1.00 0.00 C ATOM 232 NZ LYS A 18 2.802 -1.605 -16.432 1.00 0.00 N ATOM 0 H LYS A 18 4.812 -0.587 -11.866 1.00 0.00 H new ATOM 0 HA LYS A 18 4.717 2.122 -11.651 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.003 2.131 -13.915 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.927 0.653 -13.725 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.960 0.510 -13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.543 0.701 -14.940 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.804 -1.399 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.225 -1.712 -13.875 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.553 -0.772 -15.580 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.307 -2.469 -15.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.106 -2.331 -17.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.872 -1.862 -16.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.733 -0.686 -16.914 1.00 0.00 H new ATOM 246 N ASP A 19 1.785 0.826 -11.072 1.00 0.00 N ATOM 247 CA ASP A 19 0.434 1.119 -10.606 1.00 0.00 C ATOM 248 C ASP A 19 0.460 1.698 -9.195 1.00 0.00 C ATOM 249 O ASP A 19 -0.352 2.556 -8.850 1.00 0.00 O ATOM 250 CB ASP A 19 -0.424 -0.147 -10.635 1.00 0.00 C ATOM 251 CG ASP A 19 -1.022 -0.409 -12.003 1.00 0.00 C ATOM 252 OD1 ASP A 19 -0.320 -0.182 -13.011 1.00 0.00 O ATOM 253 OD2 ASP A 19 -2.191 -0.843 -12.066 1.00 0.00 O ATOM 0 H ASP A 19 2.023 -0.166 -11.077 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.002 1.860 -11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.184 -1.001 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.226 -0.056 -9.902 1.00 0.00 H new ATOM 258 N PHE A 20 1.398 1.222 -8.383 1.00 0.00 N ATOM 259 CA PHE A 20 1.529 1.691 -7.008 1.00 0.00 C ATOM 260 C PHE A 20 1.969 3.152 -6.971 1.00 0.00 C ATOM 261 O PHE A 20 1.353 3.979 -6.300 1.00 0.00 O ATOM 262 CB PHE A 20 2.533 0.825 -6.244 1.00 0.00 C ATOM 263 CG PHE A 20 2.575 1.114 -4.771 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.139 2.287 -4.297 1.00 0.00 C ATOM 265 CD2 PHE A 20 2.050 0.211 -3.860 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.179 2.556 -2.942 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.087 0.475 -2.504 1.00 0.00 C ATOM 268 CZ PHE A 20 2.653 1.648 -2.044 1.00 0.00 C ATOM 0 H PHE A 20 2.079 0.512 -8.653 1.00 0.00 H new ATOM 0 HA PHE A 20 0.553 1.611 -6.529 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.282 -0.225 -6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.527 0.978 -6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.553 3.000 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.607 -0.709 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.621 3.475 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.673 -0.236 -1.804 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.684 1.855 -0.984 1.00 0.00 H new ATOM 278 N GLU A 21 3.039 3.460 -7.697 1.00 0.00 N ATOM 279 CA GLU A 21 3.563 4.820 -7.747 1.00 0.00 C ATOM 280 C GLU A 21 2.460 5.815 -8.095 1.00 0.00 C ATOM 281 O GLU A 21 2.536 6.991 -7.742 1.00 0.00 O ATOM 282 CB GLU A 21 4.696 4.917 -8.771 1.00 0.00 C ATOM 283 CG GLU A 21 6.020 4.366 -8.268 1.00 0.00 C ATOM 284 CD GLU A 21 7.092 4.356 -9.340 1.00 0.00 C ATOM 285 OE1 GLU A 21 7.164 3.366 -10.098 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.859 5.338 -9.422 1.00 0.00 O ATOM 0 H GLU A 21 3.560 2.786 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 21 3.954 5.068 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.407 4.377 -9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.830 5.961 -9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.361 4.965 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.870 3.351 -7.899 1.00 0.00 H new ATOM 293 N ASN A 22 1.435 5.334 -8.792 1.00 0.00 N ATOM 294 CA ASN A 22 0.317 6.181 -9.190 1.00 0.00 C ATOM 295 C ASN A 22 -0.722 6.268 -8.077 1.00 0.00 C ATOM 296 O ASN A 22 -1.270 7.337 -7.808 1.00 0.00 O ATOM 297 CB ASN A 22 -0.331 5.639 -10.466 1.00 0.00 C ATOM 298 CG ASN A 22 0.471 5.973 -11.709 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.803 7.133 -11.954 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.787 4.955 -12.500 1.00 0.00 N ATOM 0 H ASN A 22 1.356 4.362 -9.092 1.00 0.00 H new ATOM 0 HA ASN A 22 0.702 7.182 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.437 4.557 -10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.335 6.051 -10.563 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.326 5.118 -13.350 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.491 4.010 -12.258 1.00 0.00 H new ATOM 307 N SER A 23 -0.988 5.137 -7.432 1.00 0.00 N ATOM 308 CA SER A 23 -1.964 5.085 -6.350 1.00 0.00 C ATOM 309 C SER A 23 -1.533 5.973 -5.187 1.00 0.00 C ATOM 310 O SER A 23 -2.306 6.801 -4.705 1.00 0.00 O ATOM 311 CB SER A 23 -2.144 3.644 -5.866 1.00 0.00 C ATOM 312 OG SER A 23 -2.828 2.864 -6.831 1.00 0.00 O ATOM 0 H SER A 23 -0.541 4.244 -7.640 1.00 0.00 H new ATOM 0 HA SER A 23 -2.915 5.454 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.169 3.202 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.700 3.639 -4.929 1.00 0.00 H new ATOM 0 HG SER A 23 -3.725 2.647 -6.500 1.00 0.00 H new ATOM 318 N MET A 24 -0.293 5.795 -4.742 1.00 0.00 N ATOM 319 CA MET A 24 0.242 6.582 -3.636 1.00 0.00 C ATOM 320 C MET A 24 0.130 8.075 -3.927 1.00 0.00 C ATOM 321 O MET A 24 -0.121 8.875 -3.027 1.00 0.00 O ATOM 322 CB MET A 24 1.702 6.209 -3.377 1.00 0.00 C ATOM 323 CG MET A 24 2.587 6.328 -4.607 1.00 0.00 C ATOM 324 SD MET A 24 4.294 6.742 -4.198 1.00 0.00 S ATOM 325 CE MET A 24 4.621 8.043 -5.385 1.00 0.00 C ATOM 0 H MET A 24 0.360 5.114 -5.130 1.00 0.00 H new ATOM 0 HA MET A 24 -0.346 6.359 -2.746 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.099 6.851 -2.591 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.746 5.185 -3.005 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.567 5.387 -5.156 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.181 7.092 -5.269 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.594 8.488 -5.178 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.620 7.626 -6.392 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.848 8.808 -5.308 1.00 0.00 H new ATOM 335 N ASN A 25 0.318 8.443 -5.190 1.00 0.00 N ATOM 336 CA ASN A 25 0.240 9.841 -5.599 1.00 0.00 C ATOM 337 C ASN A 25 -1.162 10.397 -5.368 1.00 0.00 C ATOM 338 O ASN A 25 -1.327 11.462 -4.774 1.00 0.00 O ATOM 339 CB ASN A 25 0.620 9.985 -7.074 1.00 0.00 C ATOM 340 CG ASN A 25 0.758 11.435 -7.497 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.825 12.334 -6.658 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.801 11.668 -8.803 1.00 0.00 N ATOM 0 H ASN A 25 0.525 7.793 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 25 0.944 10.411 -4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.561 9.465 -7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.137 9.500 -7.690 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.893 12.624 -9.148 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.742 10.892 -9.462 1.00 0.00 H new ATOM 349 N GLN A 26 -2.168 9.668 -5.840 1.00 0.00 N ATOM 350 CA GLN A 26 -3.555 10.088 -5.684 1.00 0.00 C ATOM 351 C GLN A 26 -3.863 10.421 -4.228 1.00 0.00 C ATOM 352 O GLN A 26 -4.560 11.393 -3.936 1.00 0.00 O ATOM 353 CB GLN A 26 -4.501 8.994 -6.181 1.00 0.00 C ATOM 354 CG GLN A 26 -4.284 8.617 -7.638 1.00 0.00 C ATOM 355 CD GLN A 26 -5.269 7.571 -8.123 1.00 0.00 C ATOM 356 OE1 GLN A 26 -4.984 6.374 -8.097 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.436 8.020 -8.570 1.00 0.00 N ATOM 0 H GLN A 26 -2.048 8.783 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.705 10.987 -6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.373 8.106 -5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.530 9.328 -6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.373 9.509 -8.257 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.269 8.241 -7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.630 9.021 -8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.139 7.363 -8.910 1.00 0.00 H new ATOM 366 N VAL A 27 -3.339 9.607 -3.317 1.00 0.00 N ATOM 367 CA VAL A 27 -3.557 9.815 -1.890 1.00 0.00 C ATOM 368 C VAL A 27 -3.001 11.161 -1.440 1.00 0.00 C ATOM 369 O VAL A 27 -3.469 11.742 -0.461 1.00 0.00 O ATOM 370 CB VAL A 27 -2.907 8.697 -1.054 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.168 8.918 0.428 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.419 7.335 -1.497 1.00 0.00 C ATOM 0 H VAL A 27 -2.761 8.797 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.635 9.798 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.830 8.725 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.701 8.118 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.748 9.877 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.242 8.918 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.949 6.557 -0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.500 7.292 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.175 7.179 -2.548 1.00 0.00 H new ATOM 382 N LYS A 28 -1.999 11.652 -2.161 1.00 0.00 N ATOM 383 CA LYS A 28 -1.378 12.931 -1.838 1.00 0.00 C ATOM 384 C LYS A 28 -2.082 14.076 -2.561 1.00 0.00 C ATOM 385 O LYS A 28 -1.961 15.238 -2.171 1.00 0.00 O ATOM 386 CB LYS A 28 0.105 12.911 -2.216 1.00 0.00 C ATOM 387 CG LYS A 28 0.925 11.924 -1.404 1.00 0.00 C ATOM 388 CD LYS A 28 2.415 12.193 -1.539 1.00 0.00 C ATOM 389 CE LYS A 28 3.017 11.426 -2.706 1.00 0.00 C ATOM 390 NZ LYS A 28 2.952 12.205 -3.974 1.00 0.00 N ATOM 0 H LYS A 28 -1.599 11.183 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.471 13.091 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.199 12.665 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.519 13.911 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.637 11.986 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.706 10.909 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.582 13.261 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.922 11.910 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.055 11.181 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.487 10.482 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.723 11.567 -4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.216 12.936 -3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.872 12.657 -4.151 1.00 0.00 H new ATOM 404 N LEU A 29 -2.819 13.740 -3.614 1.00 0.00 N ATOM 405 CA LEU A 29 -3.544 14.739 -4.391 1.00 0.00 C ATOM 406 C LEU A 29 -4.733 15.282 -3.604 1.00 0.00 C ATOM 407 O LEU A 29 -4.986 16.488 -3.594 1.00 0.00 O ATOM 408 CB LEU A 29 -4.024 14.137 -5.712 1.00 0.00 C ATOM 409 CG LEU A 29 -3.060 14.255 -6.893 1.00 0.00 C ATOM 410 CD1 LEU A 29 -1.653 13.854 -6.476 1.00 0.00 C ATOM 411 CD2 LEU A 29 -3.536 13.400 -8.058 1.00 0.00 C ATOM 0 H LEU A 29 -2.930 12.783 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.864 15.564 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.240 13.081 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.964 14.616 -5.987 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.039 15.296 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.981 13.944 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.311 14.508 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.658 12.822 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.838 13.497 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.587 12.357 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.524 13.733 -8.374 1.00 0.00 H new ATOM 423 N LEU A 30 -5.459 14.386 -2.946 1.00 0.00 N ATOM 424 CA LEU A 30 -6.621 14.775 -2.154 1.00 0.00 C ATOM 425 C LEU A 30 -6.219 15.721 -1.026 1.00 0.00 C ATOM 426 O LEU A 30 -5.209 15.511 -0.355 1.00 0.00 O ATOM 427 CB LEU A 30 -7.306 13.535 -1.575 1.00 0.00 C ATOM 428 CG LEU A 30 -6.542 12.797 -0.476 1.00 0.00 C ATOM 429 CD1 LEU A 30 -6.639 13.552 0.841 1.00 0.00 C ATOM 430 CD2 LEU A 30 -7.069 11.378 -0.320 1.00 0.00 C ATOM 0 H LEU A 30 -5.264 13.385 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.319 15.296 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.276 13.833 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.496 12.836 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.492 12.743 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.089 13.012 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.212 14.548 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.685 13.638 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.513 10.868 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.126 11.409 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.946 10.839 -1.259 1.00 0.00 H new ATOM 442 N LYS A 31 -7.019 16.762 -0.822 1.00 0.00 N ATOM 443 CA LYS A 31 -6.751 17.739 0.226 1.00 0.00 C ATOM 444 C LYS A 31 -7.771 17.621 1.354 1.00 0.00 C ATOM 445 O LYS A 31 -7.796 18.443 2.270 1.00 0.00 O ATOM 446 CB LYS A 31 -6.774 19.156 -0.351 1.00 0.00 C ATOM 447 CG LYS A 31 -6.234 20.210 0.600 1.00 0.00 C ATOM 448 CD LYS A 31 -5.655 21.396 -0.153 1.00 0.00 C ATOM 449 CE LYS A 31 -5.760 22.677 0.661 1.00 0.00 C ATOM 450 NZ LYS A 31 -5.512 23.886 -0.173 1.00 0.00 N ATOM 0 H LYS A 31 -7.859 16.951 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.761 17.535 0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.189 19.174 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.798 19.413 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.033 20.551 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.464 19.769 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.610 21.201 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.182 21.520 -1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.751 22.742 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.041 22.647 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.593 24.738 0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.556 23.837 -0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.214 23.929 -0.940 1.00 0.00 H new ATOM 464 N LYS A 32 -8.610 16.594 1.282 1.00 0.00 N ATOM 465 CA LYS A 32 -9.631 16.366 2.297 1.00 0.00 C ATOM 466 C LYS A 32 -9.046 15.636 3.502 1.00 0.00 C ATOM 467 O LYS A 32 -7.855 15.325 3.533 1.00 0.00 O ATOM 468 CB LYS A 32 -10.791 15.558 1.712 1.00 0.00 C ATOM 469 CG LYS A 32 -11.727 16.379 0.842 1.00 0.00 C ATOM 470 CD LYS A 32 -12.750 15.502 0.141 1.00 0.00 C ATOM 471 CE LYS A 32 -13.283 16.165 -1.120 1.00 0.00 C ATOM 472 NZ LYS A 32 -14.634 15.657 -1.485 1.00 0.00 N ATOM 0 H LYS A 32 -8.603 15.905 0.530 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.003 17.336 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.388 14.735 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.362 15.115 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.241 17.119 1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.147 16.928 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.296 14.545 -0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.577 15.292 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.329 17.244 -0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.593 15.986 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.962 16.133 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.586 14.632 -1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.299 15.851 -0.709 1.00 0.00 H new ATOM 486 N ASP A 33 -9.891 15.366 4.492 1.00 0.00 N ATOM 487 CA ASP A 33 -9.458 14.670 5.698 1.00 0.00 C ATOM 488 C ASP A 33 -10.367 13.482 5.996 1.00 0.00 C ATOM 489 O ASP A 33 -11.366 13.596 6.706 1.00 0.00 O ATOM 490 CB ASP A 33 -9.445 15.630 6.889 1.00 0.00 C ATOM 491 CG ASP A 33 -8.110 16.329 7.055 1.00 0.00 C ATOM 492 OD1 ASP A 33 -7.629 16.928 6.072 1.00 0.00 O ATOM 493 OD2 ASP A 33 -7.547 16.276 8.169 1.00 0.00 O ATOM 0 H ASP A 33 -10.879 15.619 4.483 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.447 14.298 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.229 16.376 6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.678 15.078 7.799 1.00 0.00 H new ATOM 498 N PRO A 34 -10.014 12.313 5.440 1.00 0.00 N ATOM 499 CA PRO A 34 -10.785 11.081 5.631 1.00 0.00 C ATOM 500 C PRO A 34 -10.681 10.547 7.056 1.00 0.00 C ATOM 501 O PRO A 34 -11.623 9.953 7.577 1.00 0.00 O ATOM 502 CB PRO A 34 -10.141 10.103 4.645 1.00 0.00 C ATOM 503 CG PRO A 34 -8.751 10.607 4.464 1.00 0.00 C ATOM 504 CD PRO A 34 -8.835 12.104 4.582 1.00 0.00 C ATOM 0 HA PRO A 34 -11.851 11.237 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.145 9.086 5.037 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.681 10.082 3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.084 10.193 5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.353 10.314 3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.933 12.523 5.029 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.958 12.578 3.608 1.00 0.00 H new ATOM 512 N GLY A 35 -9.527 10.763 7.681 1.00 0.00 N ATOM 513 CA GLY A 35 -9.321 10.298 9.040 1.00 0.00 C ATOM 514 C GLY A 35 -7.994 9.586 9.214 1.00 0.00 C ATOM 515 O GLY A 35 -7.445 9.040 8.259 1.00 0.00 O ATOM 0 H GLY A 35 -8.732 11.252 7.270 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.367 11.147 9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.131 9.623 9.317 1.00 0.00 H new ATOM 519 N ASN A 36 -7.477 9.593 10.439 1.00 0.00 N ATOM 520 CA ASN A 36 -6.204 8.945 10.735 1.00 0.00 C ATOM 521 C ASN A 36 -6.311 7.433 10.561 1.00 0.00 C ATOM 522 O ASN A 36 -5.301 6.741 10.440 1.00 0.00 O ATOM 523 CB ASN A 36 -5.759 9.276 12.161 1.00 0.00 C ATOM 524 CG ASN A 36 -5.042 10.609 12.248 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.623 11.659 11.971 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.771 10.573 12.633 1.00 0.00 N ATOM 0 H ASN A 36 -7.920 10.040 11.242 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.460 9.322 10.033 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.630 9.292 12.816 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.100 8.488 12.525 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.236 11.438 12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.330 9.680 12.853 1.00 0.00 H new ATOM 533 N GLU A 37 -7.541 6.929 10.550 1.00 0.00 N ATOM 534 CA GLU A 37 -7.778 5.499 10.392 1.00 0.00 C ATOM 535 C GLU A 37 -7.249 5.006 9.048 1.00 0.00 C ATOM 536 O GLU A 37 -6.706 3.905 8.948 1.00 0.00 O ATOM 537 CB GLU A 37 -9.273 5.192 10.508 1.00 0.00 C ATOM 538 CG GLU A 37 -10.064 5.539 9.258 1.00 0.00 C ATOM 539 CD GLU A 37 -10.341 7.025 9.137 1.00 0.00 C ATOM 540 OE1 GLU A 37 -10.611 7.664 10.175 1.00 0.00 O ATOM 541 OE2 GLU A 37 -10.287 7.548 8.004 1.00 0.00 O ATOM 0 H GLU A 37 -8.388 7.489 10.649 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.245 4.977 11.187 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.402 4.132 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.684 5.744 11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.514 5.203 8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.009 4.997 9.269 1.00 0.00 H new ATOM 548 N VAL A 38 -7.412 5.827 8.016 1.00 0.00 N ATOM 549 CA VAL A 38 -6.951 5.476 6.678 1.00 0.00 C ATOM 550 C VAL A 38 -5.489 5.859 6.483 1.00 0.00 C ATOM 551 O VAL A 38 -4.711 5.105 5.898 1.00 0.00 O ATOM 552 CB VAL A 38 -7.800 6.165 5.593 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.913 7.656 5.870 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.208 5.913 4.215 1.00 0.00 C ATOM 0 H VAL A 38 -7.860 6.741 8.081 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.057 4.396 6.580 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.803 5.739 5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.516 8.126 5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.386 7.811 6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.918 8.101 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.820 6.407 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.194 6.310 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.185 4.841 4.019 1.00 0.00 H new ATOM 564 N LYS A 39 -5.120 7.036 6.977 1.00 0.00 N ATOM 565 CA LYS A 39 -3.749 7.520 6.860 1.00 0.00 C ATOM 566 C LYS A 39 -2.756 6.458 7.320 1.00 0.00 C ATOM 567 O LYS A 39 -1.582 6.488 6.947 1.00 0.00 O ATOM 568 CB LYS A 39 -3.565 8.797 7.682 1.00 0.00 C ATOM 569 CG LYS A 39 -3.862 10.069 6.906 1.00 0.00 C ATOM 570 CD LYS A 39 -5.320 10.473 7.035 1.00 0.00 C ATOM 571 CE LYS A 39 -5.521 11.945 6.708 1.00 0.00 C ATOM 572 NZ LYS A 39 -4.644 12.390 5.589 1.00 0.00 N ATOM 0 H LYS A 39 -5.752 7.673 7.463 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.557 7.741 5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.216 8.754 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.540 8.837 8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.226 10.876 7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.616 9.921 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.928 9.864 6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.666 10.274 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.564 12.119 6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.313 12.545 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.990 13.298 5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.671 12.506 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.659 11.677 4.832 1.00 0.00 H new ATOM 586 N LEU A 40 -3.233 5.521 8.132 1.00 0.00 N ATOM 587 CA LEU A 40 -2.386 4.448 8.642 1.00 0.00 C ATOM 588 C LEU A 40 -2.381 3.258 7.689 1.00 0.00 C ATOM 589 O LEU A 40 -1.323 2.740 7.329 1.00 0.00 O ATOM 590 CB LEU A 40 -2.867 4.006 10.025 1.00 0.00 C ATOM 591 CG LEU A 40 -2.609 4.986 11.171 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.595 4.754 12.304 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.178 4.854 11.672 1.00 0.00 C ATOM 0 H LEU A 40 -4.201 5.482 8.451 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.368 4.829 8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.939 3.815 9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.387 3.058 10.269 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.750 6.000 10.796 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.396 5.460 13.110 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.611 4.899 11.937 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.486 3.736 12.678 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.011 5.558 12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.010 3.838 12.030 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.486 5.071 10.858 1.00 0.00 H new ATOM 605 N LYS A 41 -3.570 2.828 7.280 1.00 0.00 N ATOM 606 CA LYS A 41 -3.705 1.701 6.365 1.00 0.00 C ATOM 607 C LYS A 41 -2.844 1.904 5.122 1.00 0.00 C ATOM 608 O LYS A 41 -2.287 0.949 4.578 1.00 0.00 O ATOM 609 CB LYS A 41 -5.169 1.518 5.960 1.00 0.00 C ATOM 610 CG LYS A 41 -5.550 2.275 4.700 1.00 0.00 C ATOM 611 CD LYS A 41 -7.058 2.340 4.523 1.00 0.00 C ATOM 612 CE LYS A 41 -7.653 0.958 4.302 1.00 0.00 C ATOM 613 NZ LYS A 41 -6.980 0.236 3.187 1.00 0.00 N ATOM 0 H LYS A 41 -4.455 3.244 7.569 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.363 0.804 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.366 0.457 5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.808 1.848 6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.144 3.286 4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.102 1.790 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.510 2.795 5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.299 2.981 3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.565 0.374 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.717 1.051 4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.698 -0.165 2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.379 0.899 2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.393 -0.530 3.574 1.00 0.00 H new ATOM 627 N LEU A 42 -2.738 3.151 4.679 1.00 0.00 N ATOM 628 CA LEU A 42 -1.943 3.479 3.500 1.00 0.00 C ATOM 629 C LEU A 42 -0.453 3.341 3.793 1.00 0.00 C ATOM 630 O LEU A 42 0.340 3.038 2.901 1.00 0.00 O ATOM 631 CB LEU A 42 -2.253 4.902 3.032 1.00 0.00 C ATOM 632 CG LEU A 42 -3.390 5.043 2.019 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.163 4.121 0.831 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.730 4.749 2.677 1.00 0.00 C ATOM 0 H LEU A 42 -3.192 3.952 5.118 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.205 2.777 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.495 5.506 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.349 5.324 2.594 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.404 6.071 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.982 4.235 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.222 4.379 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.122 3.088 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.527 4.854 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.728 3.731 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.896 5.451 3.494 1.00 0.00 H new ATOM 646 N TYR A 43 -0.079 3.564 5.048 1.00 0.00 N ATOM 647 CA TYR A 43 1.317 3.465 5.459 1.00 0.00 C ATOM 648 C TYR A 43 1.689 2.020 5.780 1.00 0.00 C ATOM 649 O TYR A 43 2.822 1.596 5.561 1.00 0.00 O ATOM 650 CB TYR A 43 1.577 4.353 6.676 1.00 0.00 C ATOM 651 CG TYR A 43 2.634 3.808 7.609 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.301 2.926 8.630 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.967 4.174 7.469 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.264 2.426 9.485 1.00 0.00 C ATOM 655 CE2 TYR A 43 4.937 3.678 8.319 1.00 0.00 C ATOM 656 CZ TYR A 43 4.581 2.805 9.325 1.00 0.00 C ATOM 657 OH TYR A 43 5.543 2.308 10.174 1.00 0.00 O ATOM 0 H TYR A 43 -0.723 3.815 5.798 1.00 0.00 H new ATOM 0 HA TYR A 43 1.938 3.806 4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.881 5.343 6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.646 4.479 7.229 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.271 2.626 8.757 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.250 4.858 6.682 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.988 1.742 10.274 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.969 3.973 8.196 1.00 0.00 H new ATOM 0 HH TYR A 43 5.279 1.415 10.480 1.00 0.00 H new ATOM 667 N ALA A 44 0.724 1.270 6.302 1.00 0.00 N ATOM 668 CA ALA A 44 0.947 -0.127 6.652 1.00 0.00 C ATOM 669 C ALA A 44 1.417 -0.928 5.442 1.00 0.00 C ATOM 670 O ALA A 44 2.374 -1.698 5.528 1.00 0.00 O ATOM 671 CB ALA A 44 -0.322 -0.736 7.230 1.00 0.00 C ATOM 0 H ALA A 44 -0.220 1.607 6.492 1.00 0.00 H new ATOM 0 HA ALA A 44 1.732 -0.165 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.140 -1.780 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.614 -0.187 8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.122 -0.678 6.492 1.00 0.00 H new ATOM 677 N LEU A 45 0.738 -0.742 4.316 1.00 0.00 N ATOM 678 CA LEU A 45 1.085 -1.448 3.087 1.00 0.00 C ATOM 679 C LEU A 45 2.394 -0.921 2.508 1.00 0.00 C ATOM 680 O LEU A 45 3.263 -1.695 2.107 1.00 0.00 O ATOM 681 CB LEU A 45 -0.036 -1.302 2.057 1.00 0.00 C ATOM 682 CG LEU A 45 -1.273 -2.172 2.284 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.869 -3.570 2.725 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.194 -1.532 3.312 1.00 0.00 C ATOM 0 H LEU A 45 -0.056 -0.108 4.228 1.00 0.00 H new ATOM 0 HA LEU A 45 1.213 -2.503 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.349 -0.258 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.370 -1.533 1.072 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.814 -2.253 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.762 -4.174 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.250 -4.030 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.304 -3.509 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.069 -2.165 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.662 -1.420 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.512 -0.552 2.956 1.00 0.00 H new ATOM 696 N TYR A 46 2.529 0.400 2.470 1.00 0.00 N ATOM 697 CA TYR A 46 3.732 1.031 1.941 1.00 0.00 C ATOM 698 C TYR A 46 4.987 0.364 2.497 1.00 0.00 C ATOM 699 O TYR A 46 5.851 -0.087 1.744 1.00 0.00 O ATOM 700 CB TYR A 46 3.742 2.523 2.278 1.00 0.00 C ATOM 701 CG TYR A 46 5.052 3.207 1.958 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.361 3.586 0.657 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.981 3.474 2.956 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.556 4.211 0.360 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.179 4.100 2.668 1.00 0.00 C ATOM 706 CZ TYR A 46 7.462 4.466 1.369 1.00 0.00 C ATOM 707 OH TYR A 46 8.654 5.088 1.078 1.00 0.00 O ATOM 0 H TYR A 46 1.820 1.055 2.799 1.00 0.00 H new ATOM 0 HA TYR A 46 3.728 0.910 0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.940 3.016 1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.526 2.649 3.339 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.654 3.388 -0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.763 3.187 3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.780 4.499 -0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.890 4.301 3.456 1.00 0.00 H new ATOM 0 HH TYR A 46 9.177 5.194 1.900 1.00 0.00 H new ATOM 717 N LYS A 47 5.080 0.304 3.821 1.00 0.00 N ATOM 718 CA LYS A 47 6.226 -0.309 4.481 1.00 0.00 C ATOM 719 C LYS A 47 6.240 -1.818 4.258 1.00 0.00 C ATOM 720 O LYS A 47 7.256 -2.477 4.476 1.00 0.00 O ATOM 721 CB LYS A 47 6.200 -0.005 5.981 1.00 0.00 C ATOM 722 CG LYS A 47 6.052 1.473 6.299 1.00 0.00 C ATOM 723 CD LYS A 47 7.392 2.189 6.256 1.00 0.00 C ATOM 724 CE LYS A 47 8.096 2.135 7.603 1.00 0.00 C ATOM 725 NZ LYS A 47 9.101 3.224 7.748 1.00 0.00 N ATOM 0 H LYS A 47 4.374 0.673 4.459 1.00 0.00 H new ATOM 0 HA LYS A 47 7.132 0.113 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.376 -0.551 6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.119 -0.375 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.369 1.933 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.607 1.591 7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.025 1.733 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.241 3.228 5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.358 2.213 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.588 1.169 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.348 3.337 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.955 2.982 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.703 4.114 7.387 1.00 0.00 H new ATOM 739 N GLN A 48 5.106 -2.357 3.821 1.00 0.00 N ATOM 740 CA GLN A 48 4.990 -3.788 3.567 1.00 0.00 C ATOM 741 C GLN A 48 5.406 -4.124 2.139 1.00 0.00 C ATOM 742 O GLN A 48 5.853 -5.236 1.858 1.00 0.00 O ATOM 743 CB GLN A 48 3.555 -4.257 3.816 1.00 0.00 C ATOM 744 CG GLN A 48 3.426 -5.763 3.979 1.00 0.00 C ATOM 745 CD GLN A 48 3.643 -6.216 5.409 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.607 -5.411 6.340 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.870 -7.512 5.592 1.00 0.00 N ATOM 0 H GLN A 48 4.256 -1.825 3.636 1.00 0.00 H new ATOM 0 HA GLN A 48 5.659 -4.308 4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.173 -3.769 4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.927 -3.935 2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.436 -6.077 3.649 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.150 -6.258 3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.891 -8.144 4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.023 -7.875 6.533 1.00 0.00 H new ATOM 756 N ALA A 49 5.256 -3.156 1.241 1.00 0.00 N ATOM 757 CA ALA A 49 5.618 -3.349 -0.158 1.00 0.00 C ATOM 758 C ALA A 49 6.969 -2.713 -0.468 1.00 0.00 C ATOM 759 O ALA A 49 7.377 -2.631 -1.627 1.00 0.00 O ATOM 760 CB ALA A 49 4.541 -2.773 -1.065 1.00 0.00 C ATOM 0 H ALA A 49 4.886 -2.230 1.457 1.00 0.00 H new ATOM 0 HA ALA A 49 5.699 -4.420 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.824 -2.924 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.594 -3.276 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.433 -1.706 -0.869 1.00 0.00 H new ATOM 766 N THR A 50 7.660 -2.263 0.576 1.00 0.00 N ATOM 767 CA THR A 50 8.964 -1.633 0.414 1.00 0.00 C ATOM 768 C THR A 50 9.993 -2.251 1.354 1.00 0.00 C ATOM 769 O THR A 50 11.136 -2.490 0.966 1.00 0.00 O ATOM 770 CB THR A 50 8.891 -0.117 0.676 1.00 0.00 C ATOM 771 OG1 THR A 50 8.347 0.130 1.977 1.00 0.00 O ATOM 772 CG2 THR A 50 8.037 0.574 -0.376 1.00 0.00 C ATOM 0 H THR A 50 7.338 -2.324 1.542 1.00 0.00 H new ATOM 0 HA THR A 50 9.271 -1.802 -0.618 1.00 0.00 H new ATOM 0 HB THR A 50 9.902 0.287 0.623 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.397 0.359 1.897 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.000 1.644 -0.170 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.471 0.409 -1.362 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.027 0.165 -0.351 1.00 0.00 H new ATOM 780 N GLU A 51 9.579 -2.508 2.591 1.00 0.00 N ATOM 781 CA GLU A 51 10.467 -3.099 3.586 1.00 0.00 C ATOM 782 C GLU A 51 10.085 -4.550 3.862 1.00 0.00 C ATOM 783 O GLU A 51 10.949 -5.413 4.012 1.00 0.00 O ATOM 784 CB GLU A 51 10.422 -2.292 4.885 1.00 0.00 C ATOM 785 CG GLU A 51 10.486 -0.789 4.670 1.00 0.00 C ATOM 786 CD GLU A 51 10.610 -0.019 5.971 1.00 0.00 C ATOM 787 OE1 GLU A 51 11.249 -0.538 6.910 1.00 0.00 O ATOM 788 OE2 GLU A 51 10.069 1.104 6.049 1.00 0.00 O ATOM 0 H GLU A 51 8.635 -2.317 2.928 1.00 0.00 H new ATOM 0 HA GLU A 51 11.482 -3.078 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.505 -2.535 5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.254 -2.595 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.336 -0.553 4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.590 -0.462 4.143 1.00 0.00 H new ATOM 795 N GLY A 52 8.783 -4.811 3.928 1.00 0.00 N ATOM 796 CA GLY A 52 8.309 -6.158 4.187 1.00 0.00 C ATOM 797 C GLY A 52 7.486 -6.249 5.457 1.00 0.00 C ATOM 798 O GLY A 52 6.781 -5.313 5.833 1.00 0.00 O ATOM 0 H GLY A 52 8.048 -4.114 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.708 -6.497 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.162 -6.832 4.262 1.00 0.00 H new ATOM 802 N PRO A 53 7.569 -7.401 6.139 1.00 0.00 N ATOM 803 CA PRO A 53 6.831 -7.638 7.384 1.00 0.00 C ATOM 804 C PRO A 53 7.363 -6.800 8.542 1.00 0.00 C ATOM 805 O PRO A 53 8.572 -6.620 8.686 1.00 0.00 O ATOM 806 CB PRO A 53 7.060 -9.128 7.653 1.00 0.00 C ATOM 807 CG PRO A 53 8.342 -9.445 6.964 1.00 0.00 C ATOM 808 CD PRO A 53 8.389 -8.560 5.749 1.00 0.00 C ATOM 0 HA PRO A 53 5.780 -7.363 7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.124 -9.332 8.722 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.241 -9.731 7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.193 -9.256 7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.384 -10.497 6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.410 -8.266 5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.983 -9.062 4.870 1.00 0.00 H new ATOM 816 N CYS A 54 6.452 -6.292 9.364 1.00 0.00 N ATOM 817 CA CYS A 54 6.830 -5.472 10.510 1.00 0.00 C ATOM 818 C CYS A 54 7.973 -6.117 11.287 1.00 0.00 C ATOM 819 O CYS A 54 7.773 -7.095 12.007 1.00 0.00 O ATOM 820 CB CYS A 54 5.627 -5.261 11.431 1.00 0.00 C ATOM 821 SG CYS A 54 6.058 -4.671 13.085 1.00 0.00 S ATOM 0 H CYS A 54 5.447 -6.433 9.259 1.00 0.00 H new ATOM 0 HA CYS A 54 7.168 -4.505 10.138 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.949 -4.545 10.967 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.084 -6.202 11.523 1.00 0.00 H new ATOM 0 HG CYS A 54 5.732 -3.418 13.197 1.00 0.00 H new ATOM 827 N ASN A 55 9.171 -5.564 11.135 1.00 0.00 N ATOM 828 CA ASN A 55 10.347 -6.087 11.820 1.00 0.00 C ATOM 829 C ASN A 55 10.965 -5.026 12.727 1.00 0.00 C ATOM 830 O ASN A 55 12.083 -5.187 13.215 1.00 0.00 O ATOM 831 CB ASN A 55 11.383 -6.571 10.804 1.00 0.00 C ATOM 832 CG ASN A 55 12.205 -5.433 10.229 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.203 -5.015 10.817 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.787 -4.925 9.075 1.00 0.00 N ATOM 0 H ASN A 55 9.353 -4.753 10.543 1.00 0.00 H new ATOM 0 HA ASN A 55 10.032 -6.929 12.437 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.048 -7.290 11.282 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.876 -7.095 9.994 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.299 -4.157 8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.954 -5.303 8.623 1.00 0.00 H new ATOM 841 N MET A 56 10.228 -3.943 12.948 1.00 0.00 N ATOM 842 CA MET A 56 10.703 -2.856 13.798 1.00 0.00 C ATOM 843 C MET A 56 10.302 -3.088 15.251 1.00 0.00 C ATOM 844 O MET A 56 9.328 -3.780 15.549 1.00 0.00 O ATOM 845 CB MET A 56 10.145 -1.518 13.310 1.00 0.00 C ATOM 846 CG MET A 56 8.662 -1.562 12.979 1.00 0.00 C ATOM 847 SD MET A 56 7.955 0.079 12.737 1.00 0.00 S ATOM 848 CE MET A 56 8.409 0.874 14.276 1.00 0.00 C ATOM 0 H MET A 56 9.300 -3.794 12.551 1.00 0.00 H new ATOM 0 HA MET A 56 11.791 -2.831 13.739 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.316 -0.762 14.076 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.697 -1.205 12.424 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.513 -2.154 12.076 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.129 -2.068 13.784 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.627 1.575 14.568 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.529 0.120 15.054 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.348 1.412 14.144 1.00 0.00 H new ATOM 858 N PRO A 57 11.070 -2.498 16.179 1.00 0.00 N ATOM 859 CA PRO A 57 10.814 -2.626 17.617 1.00 0.00 C ATOM 860 C PRO A 57 9.553 -1.886 18.049 1.00 0.00 C ATOM 861 O PRO A 57 9.325 -0.743 17.654 1.00 0.00 O ATOM 862 CB PRO A 57 12.052 -1.991 18.255 1.00 0.00 C ATOM 863 CG PRO A 57 12.562 -1.039 17.229 1.00 0.00 C ATOM 864 CD PRO A 57 12.247 -1.660 15.896 1.00 0.00 C ATOM 0 HA PRO A 57 10.650 -3.663 17.912 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.799 -1.476 19.182 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.800 -2.744 18.503 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.084 -0.065 17.329 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.634 -0.881 17.342 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.030 -0.904 15.142 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.082 -2.253 15.522 1.00 0.00 H new ATOM 872 N LYS A 58 8.736 -2.546 18.863 1.00 0.00 N ATOM 873 CA LYS A 58 7.497 -1.951 19.351 1.00 0.00 C ATOM 874 C LYS A 58 7.776 -0.648 20.095 1.00 0.00 C ATOM 875 O LYS A 58 8.563 -0.601 21.040 1.00 0.00 O ATOM 876 CB LYS A 58 6.765 -2.930 20.272 1.00 0.00 C ATOM 877 CG LYS A 58 5.345 -2.506 20.604 1.00 0.00 C ATOM 878 CD LYS A 58 4.517 -3.677 21.106 1.00 0.00 C ATOM 879 CE LYS A 58 3.192 -3.213 21.691 1.00 0.00 C ATOM 880 NZ LYS A 58 3.325 -2.816 23.120 1.00 0.00 N ATOM 0 H LYS A 58 8.910 -3.493 19.199 1.00 0.00 H new ATOM 0 HA LYS A 58 6.865 -1.730 18.491 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.741 -3.912 19.799 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.330 -3.036 21.198 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.366 -1.723 21.362 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.875 -2.080 19.718 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.331 -4.370 20.286 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.079 -4.223 21.864 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.816 -2.369 21.113 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.456 -4.013 21.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.400 -2.506 23.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.660 -3.628 23.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.008 -2.036 23.201 1.00 0.00 H new ATOM 894 N PRO A 59 7.115 0.435 19.660 1.00 0.00 N ATOM 895 CA PRO A 59 7.274 1.758 20.272 1.00 0.00 C ATOM 896 C PRO A 59 6.666 1.826 21.669 1.00 0.00 C ATOM 897 O PRO A 59 5.931 0.931 22.081 1.00 0.00 O ATOM 898 CB PRO A 59 6.521 2.684 19.315 1.00 0.00 C ATOM 899 CG PRO A 59 5.518 1.807 18.649 1.00 0.00 C ATOM 900 CD PRO A 59 6.162 0.452 18.538 1.00 0.00 C ATOM 0 HA PRO A 59 8.323 2.023 20.405 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.038 3.500 19.852 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.196 3.136 18.588 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.598 1.755 19.230 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.252 2.195 17.666 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.428 -0.350 18.622 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.666 0.324 17.580 1.00 0.00 H new ATOM 908 N GLY A 60 6.979 2.897 22.393 1.00 0.00 N ATOM 909 CA GLY A 60 6.455 3.063 23.736 1.00 0.00 C ATOM 910 C GLY A 60 5.034 3.591 23.743 1.00 0.00 C ATOM 911 O GLY A 60 4.559 4.127 22.742 1.00 0.00 O ATOM 0 H GLY A 60 7.586 3.652 22.073 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.486 2.105 24.256 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.096 3.748 24.291 1.00 0.00 H new ATOM 915 N VAL A 61 4.353 3.439 24.874 1.00 0.00 N ATOM 916 CA VAL A 61 2.978 3.904 25.007 1.00 0.00 C ATOM 917 C VAL A 61 2.890 5.416 24.833 1.00 0.00 C ATOM 918 O VAL A 61 1.947 5.929 24.230 1.00 0.00 O ATOM 919 CB VAL A 61 2.385 3.521 26.376 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.735 2.147 26.311 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.460 3.561 27.452 1.00 0.00 C ATOM 0 H VAL A 61 4.731 2.997 25.712 1.00 0.00 H new ATOM 0 HA VAL A 61 2.402 3.416 24.221 1.00 0.00 H new ATOM 0 HB VAL A 61 1.616 4.248 26.636 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.322 1.893 27.287 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.936 2.157 25.570 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.481 1.404 26.029 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.024 3.288 28.413 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.253 2.857 27.200 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.875 4.567 27.515 1.00 0.00 H new ATOM 931 N PHE A 62 3.880 6.126 25.366 1.00 0.00 N ATOM 932 CA PHE A 62 3.915 7.581 25.270 1.00 0.00 C ATOM 933 C PHE A 62 4.003 8.028 23.814 1.00 0.00 C ATOM 934 O PHE A 62 3.620 9.147 23.472 1.00 0.00 O ATOM 935 CB PHE A 62 5.102 8.136 26.059 1.00 0.00 C ATOM 936 CG PHE A 62 4.834 8.269 27.531 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.094 7.309 28.203 1.00 0.00 C ATOM 938 CD2 PHE A 62 5.322 9.353 28.243 1.00 0.00 C ATOM 939 CE1 PHE A 62 3.846 7.428 29.558 1.00 0.00 C ATOM 940 CE2 PHE A 62 5.078 9.476 29.597 1.00 0.00 C ATOM 941 CZ PHE A 62 4.338 8.514 30.255 1.00 0.00 C ATOM 0 H PHE A 62 4.668 5.717 25.868 1.00 0.00 H new ATOM 0 HA PHE A 62 2.990 7.971 25.696 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.963 7.483 25.912 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.370 9.113 25.657 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.707 6.458 27.662 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.900 10.110 27.734 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.268 6.673 30.071 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.466 10.325 30.141 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.144 8.611 31.313 1.00 0.00 H new ATOM 951 N ASP A 63 4.512 7.146 22.960 1.00 0.00 N ATOM 952 CA ASP A 63 4.651 7.449 21.541 1.00 0.00 C ATOM 953 C ASP A 63 3.418 6.994 20.765 1.00 0.00 C ATOM 954 O ASP A 63 3.479 6.044 19.984 1.00 0.00 O ATOM 955 CB ASP A 63 5.902 6.776 20.974 1.00 0.00 C ATOM 956 CG ASP A 63 7.145 7.627 21.145 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.209 8.392 22.130 1.00 0.00 O ATOM 958 OD2 ASP A 63 8.053 7.527 20.294 1.00 0.00 O ATOM 0 H ASP A 63 4.835 6.216 23.226 1.00 0.00 H new ATOM 0 HA ASP A 63 4.748 8.529 21.433 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.051 5.817 21.469 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.751 6.568 19.915 1.00 0.00 H new ATOM 963 N LEU A 64 2.301 7.678 20.986 1.00 0.00 N ATOM 964 CA LEU A 64 1.053 7.344 20.309 1.00 0.00 C ATOM 965 C LEU A 64 1.235 7.357 18.794 1.00 0.00 C ATOM 966 O LEU A 64 0.740 6.475 18.092 1.00 0.00 O ATOM 967 CB LEU A 64 -0.047 8.328 20.710 1.00 0.00 C ATOM 968 CG LEU A 64 -0.248 8.534 22.212 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.312 9.590 22.468 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.624 7.221 22.884 1.00 0.00 C ATOM 0 H LEU A 64 2.234 8.467 21.629 1.00 0.00 H new ATOM 0 HA LEU A 64 0.761 6.339 20.613 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.175 9.294 20.257 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.988 7.984 20.281 1.00 0.00 H new ATOM 0 HG LEU A 64 0.691 8.883 22.641 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.441 9.723 23.542 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.003 10.534 22.020 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.256 9.270 22.026 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.763 7.386 23.952 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.550 6.843 22.451 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.172 6.492 22.730 1.00 0.00 H new ATOM 982 N ILE A 65 1.949 8.361 18.298 1.00 0.00 N ATOM 983 CA ILE A 65 2.199 8.487 16.868 1.00 0.00 C ATOM 984 C ILE A 65 2.708 7.174 16.281 1.00 0.00 C ATOM 985 O ILE A 65 2.039 6.549 15.459 1.00 0.00 O ATOM 986 CB ILE A 65 3.222 9.599 16.570 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.813 10.898 17.267 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.350 9.814 15.070 1.00 0.00 C ATOM 989 CD1 ILE A 65 3.448 12.133 16.666 1.00 0.00 C ATOM 0 H ILE A 65 2.365 9.099 18.866 1.00 0.00 H new ATOM 0 HA ILE A 65 1.247 8.746 16.404 1.00 0.00 H new ATOM 0 HB ILE A 65 4.194 9.291 16.957 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.729 10.999 17.222 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.084 10.836 18.321 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.077 10.603 14.876 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.683 8.890 14.597 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.382 10.103 14.660 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.113 13.016 17.210 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.533 12.054 16.735 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.156 12.219 15.619 1.00 0.00 H new ATOM 1001 N ASN A 66 3.896 6.761 16.711 1.00 0.00 N ATOM 1002 CA ASN A 66 4.494 5.521 16.230 1.00 0.00 C ATOM 1003 C ASN A 66 3.602 4.326 16.553 1.00 0.00 C ATOM 1004 O ASN A 66 3.279 3.524 15.677 1.00 0.00 O ATOM 1005 CB ASN A 66 5.877 5.323 16.853 1.00 0.00 C ATOM 1006 CG ASN A 66 6.929 6.212 16.219 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.604 5.815 15.269 1.00 0.00 O ATOM 1008 ND2 ASN A 66 7.074 7.423 16.745 1.00 0.00 N ATOM 0 H ASN A 66 4.463 7.267 17.391 1.00 0.00 H new ATOM 0 HA ASN A 66 4.597 5.592 15.147 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.825 5.532 17.921 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.175 4.280 16.747 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.767 8.066 16.362 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.493 7.710 17.532 1.00 0.00 H new ATOM 1015 N LYS A 67 3.208 4.213 17.817 1.00 0.00 N ATOM 1016 CA LYS A 67 2.352 3.118 18.257 1.00 0.00 C ATOM 1017 C LYS A 67 1.182 2.922 17.298 1.00 0.00 C ATOM 1018 O LYS A 67 0.759 1.795 17.043 1.00 0.00 O ATOM 1019 CB LYS A 67 1.828 3.388 19.669 1.00 0.00 C ATOM 1020 CG LYS A 67 1.419 2.132 20.417 1.00 0.00 C ATOM 1021 CD LYS A 67 2.591 1.181 20.594 1.00 0.00 C ATOM 1022 CE LYS A 67 2.307 0.139 21.665 1.00 0.00 C ATOM 1023 NZ LYS A 67 1.130 -0.705 21.319 1.00 0.00 N ATOM 0 H LYS A 67 3.468 4.867 18.555 1.00 0.00 H new ATOM 0 HA LYS A 67 2.948 2.206 18.266 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.598 3.906 20.240 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.971 4.059 19.607 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.019 2.403 21.394 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.619 1.628 19.874 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.803 0.683 19.648 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.483 1.747 20.863 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.183 -0.496 21.796 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.129 0.637 22.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.040 -1.476 22.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.268 -0.123 21.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.258 -1.107 20.368 1.00 0.00 H new ATOM 1037 N ALA A 68 0.665 4.026 16.769 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.453 3.975 15.835 1.00 0.00 C ATOM 1039 C ALA A 68 -0.065 3.246 14.553 1.00 0.00 C ATOM 1040 O ALA A 68 -0.821 2.419 14.044 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.941 5.381 15.519 1.00 0.00 C ATOM 0 H ALA A 68 1.003 4.967 16.971 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.263 3.419 16.306 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.776 5.328 14.820 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.267 5.868 16.438 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.130 5.956 15.072 1.00 0.00 H new ATOM 1047 N LYS A 69 1.118 3.560 14.035 1.00 0.00 N ATOM 1048 CA LYS A 69 1.608 2.935 12.812 1.00 0.00 C ATOM 1049 C LYS A 69 2.019 1.488 13.067 1.00 0.00 C ATOM 1050 O LYS A 69 1.612 0.580 12.342 1.00 0.00 O ATOM 1051 CB LYS A 69 2.795 3.722 12.252 1.00 0.00 C ATOM 1052 CG LYS A 69 2.394 4.808 11.269 1.00 0.00 C ATOM 1053 CD LYS A 69 1.981 6.083 11.983 1.00 0.00 C ATOM 1054 CE LYS A 69 1.666 7.198 10.997 1.00 0.00 C ATOM 1055 NZ LYS A 69 0.503 6.859 10.131 1.00 0.00 N ATOM 0 H LYS A 69 1.755 4.244 14.443 1.00 0.00 H new ATOM 0 HA LYS A 69 0.799 2.941 12.082 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.342 4.175 13.078 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.478 3.031 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.228 5.019 10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.570 4.453 10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.106 5.887 12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.781 6.402 12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.456 8.118 11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.540 7.389 10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.464 7.519 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.607 5.887 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.375 6.934 10.684 1.00 0.00 H new ATOM 1069 N TRP A 70 2.825 1.281 14.102 1.00 0.00 N ATOM 1070 CA TRP A 70 3.289 -0.057 14.453 1.00 0.00 C ATOM 1071 C TRP A 70 2.161 -1.075 14.328 1.00 0.00 C ATOM 1072 O TRP A 70 2.333 -2.134 13.724 1.00 0.00 O ATOM 1073 CB TRP A 70 3.846 -0.067 15.878 1.00 0.00 C ATOM 1074 CG TRP A 70 4.758 -1.225 16.150 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.074 -1.332 15.800 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.422 -2.441 16.827 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.576 -2.541 16.219 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.582 -3.239 16.853 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.254 -2.932 17.417 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.605 -4.500 17.443 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.278 -4.183 18.002 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.447 -4.955 18.013 1.00 0.00 C ATOM 0 H TRP A 70 3.171 2.021 14.713 1.00 0.00 H new ATOM 0 HA TRP A 70 4.081 -0.334 13.758 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.387 0.862 16.056 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.017 -0.093 16.585 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.637 -0.577 15.272 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.533 -2.866 16.080 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.348 -2.343 17.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.505 -5.098 17.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.380 -4.573 18.459 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.434 -5.928 18.481 1.00 0.00 H new ATOM 1093 N ASP A 71 1.008 -0.748 14.901 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.149 -1.634 14.851 1.00 0.00 C ATOM 1095 C ASP A 71 -0.685 -1.749 13.428 1.00 0.00 C ATOM 1096 O ASP A 71 -1.280 -2.760 13.058 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.248 -1.125 15.784 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.018 -1.533 17.227 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.752 -2.728 17.471 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.103 -0.655 18.111 1.00 0.00 O ATOM 0 H ASP A 71 0.850 0.124 15.406 1.00 0.00 H new ATOM 0 HA ASP A 71 0.168 -2.623 15.181 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.300 -0.038 15.721 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.211 -1.510 15.450 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.470 -0.705 12.634 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.931 -0.689 11.251 1.00 0.00 C ATOM 1107 C ALA A 72 -0.056 -1.575 10.371 1.00 0.00 C ATOM 1108 O ALA A 72 -0.560 -2.411 9.621 1.00 0.00 O ATOM 1109 CB ALA A 72 -0.949 0.736 10.718 1.00 0.00 C ATOM 0 H ALA A 72 0.021 0.141 12.925 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.945 -1.087 11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.295 0.734 9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.621 1.343 11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.057 1.154 10.763 1.00 0.00 H new ATOM 1115 N TRP A 73 1.255 -1.385 10.467 1.00 0.00 N ATOM 1116 CA TRP A 73 2.200 -2.167 9.677 1.00 0.00 C ATOM 1117 C TRP A 73 2.322 -3.586 10.224 1.00 0.00 C ATOM 1118 O TRP A 73 2.589 -4.527 9.478 1.00 0.00 O ATOM 1119 CB TRP A 73 3.571 -1.491 9.668 1.00 0.00 C ATOM 1120 CG TRP A 73 4.572 -2.187 8.796 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.311 -3.123 7.836 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.992 -2.005 8.806 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.484 -3.533 7.248 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.529 -2.861 7.825 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.862 -1.200 9.547 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.895 -2.935 7.569 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.218 -1.274 9.292 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.724 -2.136 8.309 1.00 0.00 C ATOM 0 H TRP A 73 1.688 -0.697 11.083 1.00 0.00 H new ATOM 0 HA TRP A 73 1.824 -2.222 8.655 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.458 -0.461 9.328 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.954 -1.450 10.688 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.328 -3.487 7.577 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.563 -4.225 6.503 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.481 -0.532 10.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.287 -3.599 6.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.899 -0.657 9.859 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.789 -2.170 8.132 1.00 0.00 H new ATOM 1139 N ASN A 74 2.125 -3.731 11.530 1.00 0.00 N ATOM 1140 CA ASN A 74 2.214 -5.036 12.176 1.00 0.00 C ATOM 1141 C ASN A 74 1.044 -5.926 11.767 1.00 0.00 C ATOM 1142 O ASN A 74 1.231 -7.087 11.406 1.00 0.00 O ATOM 1143 CB ASN A 74 2.240 -4.874 13.697 1.00 0.00 C ATOM 1144 CG ASN A 74 2.111 -6.200 14.421 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.551 -7.237 13.924 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.506 -6.172 15.603 1.00 0.00 N ATOM 0 H ASN A 74 1.903 -2.962 12.162 1.00 0.00 H new ATOM 0 HA ASN A 74 3.140 -5.512 11.853 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.171 -4.391 13.992 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.428 -4.215 14.004 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.391 -7.033 16.137 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.157 -5.289 15.976 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.162 -5.372 11.828 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.363 -6.113 11.462 1.00 0.00 C ATOM 1155 C ALA A 75 -1.132 -6.946 10.205 1.00 0.00 C ATOM 1156 O ALA A 75 -1.723 -8.014 10.038 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.531 -5.160 11.258 1.00 0.00 C ATOM 0 H ALA A 75 -0.334 -4.412 12.128 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.603 -6.793 12.279 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.421 -5.728 10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.719 -4.612 12.181 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.291 -4.456 10.461 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.270 -6.452 9.324 1.00 0.00 N ATOM 1164 CA LEU A 76 0.039 -7.150 8.081 1.00 0.00 C ATOM 1165 C LEU A 76 0.656 -8.516 8.363 1.00 0.00 C ATOM 1166 O LEU A 76 0.186 -9.537 7.860 1.00 0.00 O ATOM 1167 CB LEU A 76 0.992 -6.314 7.226 1.00 0.00 C ATOM 1168 CG LEU A 76 0.353 -5.185 6.417 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.250 -5.726 5.130 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.704 -4.468 7.244 1.00 0.00 C ATOM 0 H LEU A 76 0.228 -5.570 9.447 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.893 -7.298 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.750 -5.882 7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.509 -6.981 6.536 1.00 0.00 H new ATOM 0 HG LEU A 76 1.130 -4.466 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.700 -4.908 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.531 -6.192 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.014 -6.466 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.148 -3.668 6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.479 -5.176 7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.243 -4.046 8.137 1.00 0.00 H new ATOM 1182 N GLY A 77 1.710 -8.528 9.173 1.00 0.00 N ATOM 1183 CA GLY A 77 2.373 -9.775 9.509 1.00 0.00 C ATOM 1184 C GLY A 77 3.337 -10.229 8.431 1.00 0.00 C ATOM 1185 O GLY A 77 4.180 -9.455 7.978 1.00 0.00 O ATOM 0 H GLY A 77 2.117 -7.697 9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.914 -9.654 10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.623 -10.549 9.671 1.00 0.00 H new ATOM 1189 N SER A 78 3.213 -11.487 8.020 1.00 0.00 N ATOM 1190 CA SER A 78 4.084 -12.044 6.993 1.00 0.00 C ATOM 1191 C SER A 78 3.539 -11.747 5.599 1.00 0.00 C ATOM 1192 O SER A 78 3.885 -12.421 4.627 1.00 0.00 O ATOM 1193 CB SER A 78 4.231 -13.555 7.183 1.00 0.00 C ATOM 1194 OG SER A 78 5.173 -13.851 8.201 1.00 0.00 O ATOM 0 H SER A 78 2.518 -12.139 8.383 1.00 0.00 H new ATOM 0 HA SER A 78 5.063 -11.576 7.089 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.264 -13.988 7.440 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.547 -14.014 6.246 1.00 0.00 H new ATOM 0 HG SER A 78 5.248 -14.823 8.305 1.00 0.00 H new ATOM 1200 N LEU A 79 2.684 -10.734 5.509 1.00 0.00 N ATOM 1201 CA LEU A 79 2.090 -10.346 4.234 1.00 0.00 C ATOM 1202 C LEU A 79 3.169 -10.060 3.195 1.00 0.00 C ATOM 1203 O LEU A 79 4.040 -9.212 3.385 1.00 0.00 O ATOM 1204 CB LEU A 79 1.203 -9.113 4.417 1.00 0.00 C ATOM 1205 CG LEU A 79 0.206 -8.831 3.293 1.00 0.00 C ATOM 1206 CD1 LEU A 79 0.937 -8.547 1.990 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.753 -10.001 3.125 1.00 0.00 C ATOM 0 H LEU A 79 2.387 -10.167 6.303 1.00 0.00 H new ATOM 0 HA LEU A 79 1.480 -11.176 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.648 -9.224 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.847 -8.241 4.532 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.374 -7.947 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.211 -8.349 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.582 -7.677 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.543 -9.411 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.456 -9.783 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.189 -10.901 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.302 -10.158 4.054 1.00 0.00 H new ATOM 1219 N PRO A 80 3.110 -10.784 2.066 1.00 0.00 N ATOM 1220 CA PRO A 80 4.073 -10.624 0.973 1.00 0.00 C ATOM 1221 C PRO A 80 3.909 -9.294 0.245 1.00 0.00 C ATOM 1222 O PRO A 80 2.816 -8.728 0.203 1.00 0.00 O ATOM 1223 CB PRO A 80 3.744 -11.790 0.037 1.00 0.00 C ATOM 1224 CG PRO A 80 2.314 -12.104 0.312 1.00 0.00 C ATOM 1225 CD PRO A 80 2.099 -11.813 1.771 1.00 0.00 C ATOM 0 HA PRO A 80 5.102 -10.625 1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.895 -11.515 -1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.384 -12.650 0.236 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.655 -11.497 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.093 -13.147 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.089 -11.451 1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.241 -12.703 2.384 1.00 0.00 H new ATOM 1233 N LYS A 81 5.001 -8.799 -0.328 1.00 0.00 N ATOM 1234 CA LYS A 81 4.978 -7.536 -1.056 1.00 0.00 C ATOM 1235 C LYS A 81 3.957 -7.580 -2.189 1.00 0.00 C ATOM 1236 O LYS A 81 3.145 -6.668 -2.340 1.00 0.00 O ATOM 1237 CB LYS A 81 6.366 -7.223 -1.618 1.00 0.00 C ATOM 1238 CG LYS A 81 7.493 -7.472 -0.630 1.00 0.00 C ATOM 1239 CD LYS A 81 8.668 -6.542 -0.878 1.00 0.00 C ATOM 1240 CE LYS A 81 9.718 -6.666 0.215 1.00 0.00 C ATOM 1241 NZ LYS A 81 10.729 -7.713 -0.103 1.00 0.00 N ATOM 0 H LYS A 81 5.914 -9.254 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 81 4.689 -6.749 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.534 -7.830 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.394 -6.180 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.125 -7.331 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.825 -8.507 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.118 -6.772 -1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.314 -5.512 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.218 -5.707 0.349 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.232 -6.906 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.427 -7.767 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.255 -8.633 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.211 -7.471 -0.992 1.00 0.00 H new ATOM 1255 N GLU A 82 4.004 -8.646 -2.981 1.00 0.00 N ATOM 1256 CA GLU A 82 3.083 -8.808 -4.100 1.00 0.00 C ATOM 1257 C GLU A 82 1.654 -8.472 -3.681 1.00 0.00 C ATOM 1258 O GLU A 82 0.916 -7.822 -4.420 1.00 0.00 O ATOM 1259 CB GLU A 82 3.145 -10.238 -4.638 1.00 0.00 C ATOM 1260 CG GLU A 82 2.438 -11.252 -3.755 1.00 0.00 C ATOM 1261 CD GLU A 82 2.396 -12.636 -4.374 1.00 0.00 C ATOM 1262 OE1 GLU A 82 1.451 -12.915 -5.141 1.00 0.00 O ATOM 1263 OE2 GLU A 82 3.309 -13.440 -4.090 1.00 0.00 O ATOM 0 H GLU A 82 4.670 -9.410 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 82 3.385 -8.118 -4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.700 -10.262 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.189 -10.531 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.944 -11.304 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.420 -10.913 -3.562 1.00 0.00 H new ATOM 1270 N ALA A 83 1.273 -8.920 -2.489 1.00 0.00 N ATOM 1271 CA ALA A 83 -0.065 -8.667 -1.970 1.00 0.00 C ATOM 1272 C ALA A 83 -0.149 -7.292 -1.316 1.00 0.00 C ATOM 1273 O ALA A 83 -1.155 -6.594 -1.442 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.461 -9.750 -0.978 1.00 0.00 C ATOM 0 H ALA A 83 1.872 -9.460 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.762 -8.686 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.463 -9.548 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.450 -10.720 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.246 -9.760 -0.148 1.00 0.00 H new ATOM 1280 N ALA A 84 0.914 -6.909 -0.616 1.00 0.00 N ATOM 1281 CA ALA A 84 0.960 -5.617 0.057 1.00 0.00 C ATOM 1282 C ALA A 84 0.657 -4.481 -0.915 1.00 0.00 C ATOM 1283 O ALA A 84 -0.131 -3.585 -0.611 1.00 0.00 O ATOM 1284 CB ALA A 84 2.320 -5.409 0.708 1.00 0.00 C ATOM 0 H ALA A 84 1.755 -7.475 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 84 0.194 -5.611 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.340 -4.440 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.498 -6.198 1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.097 -5.440 -0.055 1.00 0.00 H new ATOM 1290 N ARG A 85 1.289 -4.523 -2.083 1.00 0.00 N ATOM 1291 CA ARG A 85 1.088 -3.496 -3.098 1.00 0.00 C ATOM 1292 C ARG A 85 -0.364 -3.468 -3.563 1.00 0.00 C ATOM 1293 O ARG A 85 -0.920 -2.403 -3.831 1.00 0.00 O ATOM 1294 CB ARG A 85 2.013 -3.741 -4.292 1.00 0.00 C ATOM 1295 CG ARG A 85 3.467 -3.393 -4.018 1.00 0.00 C ATOM 1296 CD ARG A 85 4.283 -3.360 -5.301 1.00 0.00 C ATOM 1297 NE ARG A 85 4.706 -4.695 -5.715 1.00 0.00 N ATOM 1298 CZ ARG A 85 5.765 -5.319 -5.214 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.505 -4.733 -4.283 1.00 0.00 N ATOM 1300 NH2 ARG A 85 6.086 -6.533 -5.643 1.00 0.00 N ATOM 0 H ARG A 85 1.945 -5.257 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 85 1.328 -2.530 -2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.948 -4.790 -4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.661 -3.153 -5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.523 -2.423 -3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.894 -4.125 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.691 -2.905 -6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.161 -2.730 -5.156 1.00 0.00 H new ATOM 0 HE ARG A 85 4.157 -5.175 -6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.261 -3.800 -3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.318 -5.215 -3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.519 -6.988 -6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.900 -7.012 -5.257 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.973 -4.646 -3.658 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.360 -4.756 -4.093 1.00 0.00 C ATOM 1316 C GLN A 86 -3.302 -4.133 -3.068 1.00 0.00 C ATOM 1317 O GLN A 86 -4.291 -3.495 -3.428 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.732 -6.223 -4.318 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.821 -6.422 -5.360 1.00 0.00 C ATOM 1320 CD GLN A 86 -5.042 -5.562 -5.099 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.719 -5.718 -4.082 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.330 -4.648 -6.017 1.00 0.00 N ATOM 0 H GLN A 86 -0.527 -5.537 -3.440 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.464 -4.214 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.842 -6.772 -4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -3.062 -6.655 -3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.421 -6.189 -6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.117 -7.471 -5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.741 -4.553 -6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.140 -4.040 -5.895 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.988 -4.321 -1.791 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.808 -3.778 -0.714 1.00 0.00 C ATOM 1333 C ASN A 87 -3.765 -2.253 -0.714 1.00 0.00 C ATOM 1334 O ASN A 87 -4.763 -1.593 -0.423 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.330 -4.312 0.638 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.907 -5.678 0.956 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -5.076 -5.801 1.321 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -3.086 -6.713 0.819 1.00 0.00 N ATOM 0 H ASN A 87 -2.172 -4.845 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.838 -4.095 -0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.242 -4.371 0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.611 -3.610 1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.417 -7.657 1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.124 -6.564 0.514 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.603 -1.699 -1.043 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.429 -0.252 -1.080 1.00 0.00 C ATOM 1347 C TYR A 88 -3.254 0.367 -2.204 1.00 0.00 C ATOM 1348 O TYR A 88 -4.121 1.207 -1.964 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.952 0.101 -1.262 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.658 1.576 -1.108 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.155 2.502 -2.017 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.116 2.043 -0.053 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.888 3.850 -1.880 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.387 3.390 0.092 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.117 4.290 -0.824 1.00 0.00 C ATOM 1356 OH TYR A 88 0.150 5.632 -0.684 1.00 0.00 O ATOM 0 H TYR A 88 -1.768 -2.230 -1.288 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.778 0.155 -0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.362 -0.456 -0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.629 -0.224 -2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.760 2.162 -2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.513 1.341 0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.281 4.556 -2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.990 3.737 0.918 1.00 0.00 H new ATOM 0 HH TYR A 88 0.705 5.774 0.111 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.976 -0.054 -3.434 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.693 0.457 -4.597 1.00 0.00 C ATOM 1368 C VAL A 89 -5.190 0.199 -4.477 1.00 0.00 C ATOM 1369 O VAL A 89 -6.006 1.081 -4.745 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.176 -0.182 -5.900 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.786 0.337 -6.234 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.174 -1.699 -5.785 1.00 0.00 C ATOM 0 H VAL A 89 -2.260 -0.747 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.514 1.532 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.847 0.097 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.437 -0.125 -7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.822 1.419 -6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.101 0.090 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.806 -2.134 -6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.526 -2.001 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.188 -2.051 -5.596 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.545 -1.016 -4.072 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.946 -1.391 -3.915 1.00 0.00 C ATOM 1384 C ASP A 90 -7.703 -0.338 -3.112 1.00 0.00 C ATOM 1385 O ASP A 90 -8.891 -0.104 -3.338 1.00 0.00 O ATOM 1386 CB ASP A 90 -7.057 -2.752 -3.227 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.368 -2.920 -2.484 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -8.579 -2.201 -1.484 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -9.182 -3.770 -2.900 1.00 0.00 O ATOM 0 H ASP A 90 -4.882 -1.758 -3.847 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.393 -1.456 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.961 -3.542 -3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.229 -2.871 -2.528 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.008 0.295 -2.172 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.615 1.323 -1.334 1.00 0.00 C ATOM 1396 C LEU A 91 -7.768 2.632 -2.102 1.00 0.00 C ATOM 1397 O LEU A 91 -8.879 3.123 -2.299 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.770 1.550 -0.079 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.301 2.590 0.908 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.226 3.985 0.306 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.729 2.259 1.315 1.00 0.00 C ATOM 0 H LEU A 91 -6.024 0.114 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.606 0.978 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.670 0.599 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.769 1.850 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.676 2.568 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.608 4.712 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.190 4.222 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.826 4.022 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.090 3.010 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.367 2.252 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.754 1.277 1.788 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.643 3.192 -2.536 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.651 4.442 -3.286 1.00 0.00 C ATOM 1415 C VAL A 92 -7.758 4.448 -4.333 1.00 0.00 C ATOM 1416 O VAL A 92 -8.374 5.481 -4.595 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.299 4.688 -3.982 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.310 6.021 -4.715 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.163 4.635 -2.972 1.00 0.00 C ATOM 0 H VAL A 92 -5.714 2.799 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.831 5.241 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.139 3.898 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.347 6.177 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.099 6.016 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.492 6.826 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.215 4.811 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.315 5.402 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.143 3.654 -2.498 1.00 0.00 H new ATOM 1429 N SER A 93 -8.007 3.286 -4.930 1.00 0.00 N ATOM 1430 CA SER A 93 -9.039 3.157 -5.952 1.00 0.00 C ATOM 1431 C SER A 93 -10.430 3.271 -5.337 1.00 0.00 C ATOM 1432 O SER A 93 -11.355 3.792 -5.960 1.00 0.00 O ATOM 1433 CB SER A 93 -8.899 1.819 -6.682 1.00 0.00 C ATOM 1434 OG SER A 93 -9.827 1.721 -7.748 1.00 0.00 O ATOM 0 H SER A 93 -7.508 2.421 -4.723 1.00 0.00 H new ATOM 0 HA SER A 93 -8.910 3.969 -6.668 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.885 1.716 -7.068 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.058 1.000 -5.981 1.00 0.00 H new ATOM 0 HG SER A 93 -9.717 0.858 -8.200 1.00 0.00 H new ATOM 1440 N SER A 94 -10.570 2.780 -4.110 1.00 0.00 N ATOM 1441 CA SER A 94 -11.849 2.823 -3.410 1.00 0.00 C ATOM 1442 C SER A 94 -12.316 4.263 -3.219 1.00 0.00 C ATOM 1443 O SER A 94 -13.500 4.568 -3.366 1.00 0.00 O ATOM 1444 CB SER A 94 -11.735 2.127 -2.052 1.00 0.00 C ATOM 1445 OG SER A 94 -12.867 2.398 -1.244 1.00 0.00 O ATOM 0 H SER A 94 -9.814 2.348 -3.580 1.00 0.00 H new ATOM 0 HA SER A 94 -12.586 2.298 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.638 1.051 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.832 2.463 -1.542 1.00 0.00 H new ATOM 0 HG SER A 94 -12.771 1.941 -0.382 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.377 5.144 -2.891 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.691 6.552 -2.680 1.00 0.00 C ATOM 1453 C LEU A 95 -12.167 7.205 -3.974 1.00 0.00 C ATOM 1454 O LEU A 95 -13.148 7.948 -3.981 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.465 7.293 -2.143 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.963 6.852 -0.768 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.547 7.353 -0.530 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.897 7.349 0.326 1.00 0.00 C ATOM 0 H LEU A 95 -10.393 4.908 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.496 6.613 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.652 7.175 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.699 8.357 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.950 5.762 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.207 7.029 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.884 6.948 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.533 8.442 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.524 7.026 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.942 8.438 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.895 6.940 0.166 1.00 0.00 H new ATOM 1470 N SER A 96 -11.467 6.919 -5.067 1.00 0.00 N ATOM 1471 CA SER A 96 -11.817 7.479 -6.367 1.00 0.00 C ATOM 1472 C SER A 96 -13.018 6.753 -6.965 1.00 0.00 C ATOM 1473 O SER A 96 -13.131 5.529 -6.901 1.00 0.00 O ATOM 1474 CB SER A 96 -10.625 7.389 -7.322 1.00 0.00 C ATOM 1475 OG SER A 96 -9.446 7.887 -6.714 1.00 0.00 O ATOM 0 H SER A 96 -10.654 6.303 -5.078 1.00 0.00 H new ATOM 0 HA SER A 96 -12.081 8.527 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.473 6.352 -7.622 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.838 7.956 -8.229 1.00 0.00 H new ATOM 0 HG SER A 96 -8.672 7.673 -7.276 1.00 0.00 H new ATOM 1481 N PRO A 97 -13.938 7.526 -7.561 1.00 0.00 N ATOM 1482 CA PRO A 97 -15.148 6.979 -8.184 1.00 0.00 C ATOM 1483 C PRO A 97 -14.842 6.194 -9.454 1.00 0.00 C ATOM 1484 O PRO A 97 -15.365 5.099 -9.659 1.00 0.00 O ATOM 1485 CB PRO A 97 -15.972 8.227 -8.511 1.00 0.00 C ATOM 1486 CG PRO A 97 -14.969 9.320 -8.645 1.00 0.00 C ATOM 1487 CD PRO A 97 -13.868 8.992 -7.675 1.00 0.00 C ATOM 0 HA PRO A 97 -15.660 6.272 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.540 8.096 -9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -16.691 8.444 -7.721 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.587 9.377 -9.664 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -15.414 10.288 -8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -12.896 9.320 -8.044 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -14.024 9.478 -6.712 1.00 0.00 H new ATOM 1495 N SER A 98 -13.991 6.760 -10.304 1.00 0.00 N ATOM 1496 CA SER A 98 -13.618 6.114 -11.557 1.00 0.00 C ATOM 1497 C SER A 98 -12.418 6.810 -12.191 1.00 0.00 C ATOM 1498 O SER A 98 -12.401 8.033 -12.338 1.00 0.00 O ATOM 1499 CB SER A 98 -14.799 6.120 -12.530 1.00 0.00 C ATOM 1500 OG SER A 98 -15.202 7.444 -12.835 1.00 0.00 O ATOM 0 H SER A 98 -13.547 7.665 -10.148 1.00 0.00 H new ATOM 0 HA SER A 98 -13.343 5.082 -11.337 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.521 5.601 -13.447 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.635 5.573 -12.095 1.00 0.00 H new ATOM 0 HG SER A 98 -14.455 8.058 -12.676 1.00 0.00 H new ATOM 1506 N LEU A 99 -11.416 6.023 -12.567 1.00 0.00 N ATOM 1507 CA LEU A 99 -10.210 6.562 -13.186 1.00 0.00 C ATOM 1508 C LEU A 99 -10.222 6.330 -14.693 1.00 0.00 C ATOM 1509 O LEU A 99 -10.175 5.191 -15.155 1.00 0.00 O ATOM 1510 CB LEU A 99 -8.966 5.921 -12.569 1.00 0.00 C ATOM 1511 CG LEU A 99 -8.517 6.487 -11.221 1.00 0.00 C ATOM 1512 CD1 LEU A 99 -7.821 7.826 -11.409 1.00 0.00 C ATOM 1513 CD2 LEU A 99 -9.705 6.628 -10.281 1.00 0.00 C ATOM 0 H LEU A 99 -11.415 5.009 -12.454 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.186 7.636 -13.003 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.154 4.854 -12.448 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.142 6.022 -13.275 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.806 5.792 -10.775 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.509 8.213 -10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.946 7.695 -12.046 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.508 8.531 -11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.368 7.032 -9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -10.439 7.302 -10.721 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.160 5.651 -10.121 1.00 0.00 H new ATOM 1525 N GLU A 100 -10.283 7.419 -15.454 1.00 0.00 N ATOM 1526 CA GLU A 100 -10.299 7.332 -16.910 1.00 0.00 C ATOM 1527 C GLU A 100 -9.165 8.153 -17.516 1.00 0.00 C ATOM 1528 O GLU A 100 -9.345 8.827 -18.530 1.00 0.00 O ATOM 1529 CB GLU A 100 -11.643 7.818 -17.457 1.00 0.00 C ATOM 1530 CG GLU A 100 -11.893 9.299 -17.231 1.00 0.00 C ATOM 1531 CD GLU A 100 -12.577 9.580 -15.907 1.00 0.00 C ATOM 1532 OE1 GLU A 100 -13.504 8.826 -15.546 1.00 0.00 O ATOM 1533 OE2 GLU A 100 -12.184 10.555 -15.232 1.00 0.00 O ATOM 0 H GLU A 100 -10.322 8.370 -15.087 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.158 6.288 -17.188 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.687 7.610 -18.526 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.444 7.247 -16.988 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.944 9.833 -17.266 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.508 9.688 -18.043 1.00 0.00 H new ATOM 1540 N SER A 101 -7.996 8.091 -16.887 1.00 0.00 N ATOM 1541 CA SER A 101 -6.832 8.832 -17.361 1.00 0.00 C ATOM 1542 C SER A 101 -5.540 8.119 -16.974 1.00 0.00 C ATOM 1543 O SER A 101 -5.345 7.748 -15.817 1.00 0.00 O ATOM 1544 CB SER A 101 -6.836 10.251 -16.788 1.00 0.00 C ATOM 1545 OG SER A 101 -7.924 11.003 -17.297 1.00 0.00 O ATOM 0 H SER A 101 -7.829 7.535 -16.048 1.00 0.00 H new ATOM 0 HA SER A 101 -6.885 8.887 -18.448 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.897 10.207 -15.701 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.898 10.749 -17.035 1.00 0.00 H new ATOM 0 HG SER A 101 -7.905 11.905 -16.915 1.00 0.00 H new ATOM 1551 N SER A 102 -4.660 7.931 -17.952 1.00 0.00 N ATOM 1552 CA SER A 102 -3.387 7.259 -17.717 1.00 0.00 C ATOM 1553 C SER A 102 -2.629 7.919 -16.569 1.00 0.00 C ATOM 1554 O SER A 102 -2.032 7.240 -15.733 1.00 0.00 O ATOM 1555 CB SER A 102 -2.533 7.280 -18.986 1.00 0.00 C ATOM 1556 OG SER A 102 -3.133 6.516 -20.017 1.00 0.00 O ATOM 0 H SER A 102 -4.805 8.235 -18.915 1.00 0.00 H new ATOM 0 HA SER A 102 -3.595 6.224 -17.445 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.400 8.308 -19.322 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.541 6.885 -18.767 1.00 0.00 H new ATOM 0 HG SER A 102 -2.569 6.547 -20.818 1.00 0.00 H new ATOM 1562 N SER A 103 -2.658 9.247 -16.534 1.00 0.00 N ATOM 1563 CA SER A 103 -1.971 10.000 -15.492 1.00 0.00 C ATOM 1564 C SER A 103 -0.502 9.598 -15.410 1.00 0.00 C ATOM 1565 O SER A 103 0.009 9.289 -14.334 1.00 0.00 O ATOM 1566 CB SER A 103 -2.649 9.775 -14.139 1.00 0.00 C ATOM 1567 OG SER A 103 -3.837 10.539 -14.031 1.00 0.00 O ATOM 0 H SER A 103 -3.150 9.824 -17.216 1.00 0.00 H new ATOM 0 HA SER A 103 -2.027 11.058 -15.747 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.881 8.717 -14.016 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.964 10.046 -13.336 1.00 0.00 H new ATOM 0 HG SER A 103 -4.252 10.376 -13.158 1.00 0.00 H new ATOM 1573 N GLN A 104 0.172 9.605 -16.556 1.00 0.00 N ATOM 1574 CA GLN A 104 1.582 9.241 -16.615 1.00 0.00 C ATOM 1575 C GLN A 104 2.183 9.605 -17.968 1.00 0.00 C ATOM 1576 O GLN A 104 1.515 9.520 -18.999 1.00 0.00 O ATOM 1577 CB GLN A 104 1.755 7.743 -16.354 1.00 0.00 C ATOM 1578 CG GLN A 104 1.130 6.863 -17.424 1.00 0.00 C ATOM 1579 CD GLN A 104 1.365 5.386 -17.175 1.00 0.00 C ATOM 1580 OE1 GLN A 104 2.478 4.886 -17.341 1.00 0.00 O ATOM 1581 NE2 GLN A 104 0.315 4.679 -16.774 1.00 0.00 N ATOM 0 H GLN A 104 -0.236 9.859 -17.456 1.00 0.00 H new ATOM 0 HA GLN A 104 2.108 9.801 -15.842 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.819 7.515 -16.284 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.312 7.497 -15.389 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.058 7.054 -17.466 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.540 7.133 -18.397 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -0.589 5.135 -16.649 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.413 3.680 -16.591 1.00 0.00 H new ATOM 1590 N VAL A 105 3.448 10.012 -17.959 1.00 0.00 N ATOM 1591 CA VAL A 105 4.140 10.390 -19.186 1.00 0.00 C ATOM 1592 C VAL A 105 5.638 10.542 -18.948 1.00 0.00 C ATOM 1593 O VAL A 105 6.061 11.176 -17.982 1.00 0.00 O ATOM 1594 CB VAL A 105 3.586 11.707 -19.760 1.00 0.00 C ATOM 1595 CG1 VAL A 105 3.925 12.873 -18.844 1.00 0.00 C ATOM 1596 CG2 VAL A 105 4.125 11.945 -21.162 1.00 0.00 C ATOM 0 H VAL A 105 4.015 10.089 -17.115 1.00 0.00 H new ATOM 0 HA VAL A 105 3.969 9.589 -19.905 1.00 0.00 H new ATOM 0 HB VAL A 105 2.501 11.629 -19.822 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.525 13.795 -19.266 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.485 12.703 -17.861 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.007 12.957 -18.748 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.723 12.880 -21.552 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.213 12.003 -21.128 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.826 11.122 -21.811 1.00 0.00 H new ATOM 1606 N GLU A 106 6.435 9.957 -19.836 1.00 0.00 N ATOM 1607 CA GLU A 106 7.887 10.028 -19.722 1.00 0.00 C ATOM 1608 C GLU A 106 8.504 10.624 -20.984 1.00 0.00 C ATOM 1609 O GLU A 106 8.059 10.369 -22.103 1.00 0.00 O ATOM 1610 CB GLU A 106 8.469 8.636 -19.464 1.00 0.00 C ATOM 1611 CG GLU A 106 8.270 7.670 -20.620 1.00 0.00 C ATOM 1612 CD GLU A 106 6.808 7.374 -20.888 1.00 0.00 C ATOM 1613 OE1 GLU A 106 6.118 6.901 -19.960 1.00 0.00 O ATOM 1614 OE2 GLU A 106 6.353 7.616 -22.026 1.00 0.00 O ATOM 0 H GLU A 106 6.100 9.429 -20.642 1.00 0.00 H new ATOM 0 HA GLU A 106 8.128 10.677 -18.880 1.00 0.00 H new ATOM 0 HB2 GLU A 106 9.535 8.729 -19.259 1.00 0.00 H new ATOM 0 HB3 GLU A 106 8.008 8.219 -18.569 1.00 0.00 H new ATOM 0 HG2 GLU A 106 8.723 8.087 -21.519 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.792 6.738 -20.403 1.00 0.00 H new ATOM 1621 N PRO A 107 9.554 11.439 -20.801 1.00 0.00 N ATOM 1622 CA PRO A 107 10.254 12.088 -21.913 1.00 0.00 C ATOM 1623 C PRO A 107 11.047 11.096 -22.757 1.00 0.00 C ATOM 1624 O PRO A 107 12.168 10.728 -22.412 1.00 0.00 O ATOM 1625 CB PRO A 107 11.199 13.068 -21.212 1.00 0.00 C ATOM 1626 CG PRO A 107 11.421 12.480 -19.861 1.00 0.00 C ATOM 1627 CD PRO A 107 10.138 11.788 -19.495 1.00 0.00 C ATOM 0 HA PRO A 107 9.562 12.564 -22.608 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.137 13.172 -21.757 1.00 0.00 H new ATOM 0 HB3 PRO A 107 10.758 14.062 -21.143 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.254 11.777 -19.873 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.668 13.254 -19.134 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.319 10.902 -18.886 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.479 12.440 -18.922 1.00 0.00 H new ATOM 1635 N GLY A 108 10.455 10.667 -23.868 1.00 0.00 N ATOM 1636 CA GLY A 108 11.120 9.722 -24.745 1.00 0.00 C ATOM 1637 C GLY A 108 10.163 8.705 -25.335 1.00 0.00 C ATOM 1638 O GLY A 108 9.300 9.048 -26.143 1.00 0.00 O ATOM 0 H GLY A 108 9.527 10.957 -24.176 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.612 10.265 -25.552 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.900 9.202 -24.189 1.00 0.00 H new ATOM 1642 N THR A 109 10.316 7.447 -24.931 1.00 0.00 N ATOM 1643 CA THR A 109 9.461 6.376 -25.427 1.00 0.00 C ATOM 1644 C THR A 109 8.090 6.414 -24.761 1.00 0.00 C ATOM 1645 O THR A 109 7.967 6.787 -23.594 1.00 0.00 O ATOM 1646 CB THR A 109 10.097 4.993 -25.188 1.00 0.00 C ATOM 1647 OG1 THR A 109 11.439 4.979 -25.685 1.00 0.00 O ATOM 1648 CG2 THR A 109 9.287 3.901 -25.869 1.00 0.00 C ATOM 0 H THR A 109 11.024 7.146 -24.262 1.00 0.00 H new ATOM 0 HA THR A 109 9.346 6.534 -26.499 1.00 0.00 H new ATOM 0 HB THR A 109 10.106 4.801 -24.115 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.837 4.097 -25.528 1.00 0.00 H new ATOM 0 HG21 THR A 109 9.755 2.934 -25.687 1.00 0.00 H new ATOM 0 HG22 THR A 109 8.274 3.896 -25.467 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.251 4.090 -26.942 1.00 0.00 H new ATOM 1656 N ASP A 110 7.063 6.027 -25.508 1.00 0.00 N ATOM 1657 CA ASP A 110 5.701 6.015 -24.989 1.00 0.00 C ATOM 1658 C ASP A 110 5.291 4.606 -24.571 1.00 0.00 C ATOM 1659 O ASP A 110 5.095 3.730 -25.413 1.00 0.00 O ATOM 1660 CB ASP A 110 4.727 6.552 -26.040 1.00 0.00 C ATOM 1661 CG ASP A 110 3.315 6.040 -25.836 1.00 0.00 C ATOM 1662 OD1 ASP A 110 2.940 5.779 -24.674 1.00 0.00 O ATOM 1663 OD2 ASP A 110 2.585 5.901 -26.839 1.00 0.00 O ATOM 0 H ASP A 110 7.148 5.717 -26.476 1.00 0.00 H new ATOM 0 HA ASP A 110 5.668 6.660 -24.111 1.00 0.00 H new ATOM 0 HB2 ASP A 110 4.724 7.641 -26.005 1.00 0.00 H new ATOM 0 HB3 ASP A 110 5.074 6.266 -27.033 1.00 0.00 H new ATOM 1668 N SER A 111 5.163 4.396 -23.265 1.00 0.00 N ATOM 1669 CA SER A 111 4.781 3.092 -22.734 1.00 0.00 C ATOM 1670 C SER A 111 3.541 2.559 -23.445 1.00 0.00 C ATOM 1671 O SER A 111 3.531 1.431 -23.937 1.00 0.00 O ATOM 1672 CB SER A 111 4.519 3.187 -21.230 1.00 0.00 C ATOM 1673 OG SER A 111 4.571 1.909 -20.622 1.00 0.00 O ATOM 0 H SER A 111 5.318 5.112 -22.555 1.00 0.00 H new ATOM 0 HA SER A 111 5.605 2.400 -22.909 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.258 3.843 -20.770 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.542 3.637 -21.056 1.00 0.00 H new ATOM 0 HG SER A 111 4.402 1.997 -19.661 1.00 0.00 H new ATOM 1679 N GLY A 112 2.496 3.379 -23.496 1.00 0.00 N ATOM 1680 CA GLY A 112 1.265 2.973 -24.148 1.00 0.00 C ATOM 1681 C GLY A 112 0.063 3.066 -23.228 1.00 0.00 C ATOM 1682 O GLY A 112 0.195 3.217 -22.014 1.00 0.00 O ATOM 0 H GLY A 112 2.480 4.318 -23.097 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.098 3.600 -25.024 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.367 1.948 -24.504 1.00 0.00 H new ATOM 1686 N PRO A 113 -1.141 2.976 -23.811 1.00 0.00 N ATOM 1687 CA PRO A 113 -2.394 3.049 -23.054 1.00 0.00 C ATOM 1688 C PRO A 113 -2.616 1.819 -22.180 1.00 0.00 C ATOM 1689 O PRO A 113 -3.216 1.908 -21.109 1.00 0.00 O ATOM 1690 CB PRO A 113 -3.464 3.129 -24.146 1.00 0.00 C ATOM 1691 CG PRO A 113 -2.842 2.482 -25.334 1.00 0.00 C ATOM 1692 CD PRO A 113 -1.373 2.795 -25.254 1.00 0.00 C ATOM 0 HA PRO A 113 -2.405 3.893 -22.365 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -4.375 2.612 -23.846 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -3.738 4.163 -24.356 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -3.013 1.405 -25.326 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -3.273 2.866 -26.258 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -0.767 1.985 -25.660 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -1.122 3.694 -25.817 1.00 0.00 H new ATOM 1700 N SER A 114 -2.128 0.673 -22.644 1.00 0.00 N ATOM 1701 CA SER A 114 -2.277 -0.575 -21.905 1.00 0.00 C ATOM 1702 C SER A 114 -1.471 -0.539 -20.610 1.00 0.00 C ATOM 1703 O SER A 114 -0.320 -0.102 -20.594 1.00 0.00 O ATOM 1704 CB SER A 114 -1.828 -1.758 -22.766 1.00 0.00 C ATOM 1705 OG SER A 114 -2.526 -1.785 -23.999 1.00 0.00 O ATOM 0 H SER A 114 -1.626 0.583 -23.528 1.00 0.00 H new ATOM 0 HA SER A 114 -3.331 -0.697 -21.653 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.756 -1.690 -22.953 1.00 0.00 H new ATOM 0 HB3 SER A 114 -1.999 -2.690 -22.227 1.00 0.00 H new ATOM 0 HG SER A 114 -2.220 -2.549 -24.531 1.00 0.00 H new ATOM 1711 N SER A 115 -2.084 -1.003 -19.526 1.00 0.00 N ATOM 1712 CA SER A 115 -1.427 -1.021 -18.224 1.00 0.00 C ATOM 1713 C SER A 115 -0.387 -2.135 -18.157 1.00 0.00 C ATOM 1714 O SER A 115 0.798 -1.881 -17.941 1.00 0.00 O ATOM 1715 CB SER A 115 -2.459 -1.204 -17.110 1.00 0.00 C ATOM 1716 OG SER A 115 -1.987 -0.672 -15.885 1.00 0.00 O ATOM 0 H SER A 115 -3.035 -1.372 -19.523 1.00 0.00 H new ATOM 0 HA SER A 115 -0.921 -0.065 -18.087 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.391 -0.712 -17.389 1.00 0.00 H new ATOM 0 HB3 SER A 115 -2.683 -2.264 -16.988 1.00 0.00 H new ATOM 0 HG SER A 115 -2.666 -0.800 -15.190 1.00 0.00 H new ATOM 1722 N GLY A 116 -0.839 -3.371 -18.343 1.00 0.00 N ATOM 1723 CA GLY A 116 0.064 -4.506 -18.299 1.00 0.00 C ATOM 1724 C GLY A 116 -0.671 -5.831 -18.267 1.00 0.00 C ATOM 1725 O GLY A 116 -1.851 -5.886 -17.920 1.00 0.00 O ATOM 0 H GLY A 116 -1.815 -3.607 -18.523 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.720 -4.479 -19.169 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.701 -4.426 -17.418 1.00 0.00 H new TER 1729 GLY A 116