USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 731 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 6 SER OG : rot -153:sc= -0.211 USER MOD Set 1.2: A 93 SER OG : rot -2:sc= 0.179! USER MOD Set 2.1: A 5 SER OG : rot 174:sc= 0 USER MOD Set 2.2: A 53 ASN :FLIP amide:sc= -4.03! C(o=-6.5!,f=-4!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0289 (180deg=0) USER MOD Single : A 2 SER OG : rot -140:sc= 0.954 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 139:sc= 0.242 (180deg=-1.06!) USER MOD Single : A 14 GLN : amide:sc=-0.000214 X(o=-0.00021,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 172:sc= -5.66! USER MOD Single : A 30 SER OG : rot 180:sc= -0.8 USER MOD Single : A 34 THR OG1 : rot 154:sc= 1.39 USER MOD Single : A 39 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 40 MET CE :methyl 161:sc= -0.332 (180deg=-0.539) USER MOD Single : A 41 MET CE :methyl 169:sc= -0.669 (180deg=-1.36!) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 146:sc= 0.0328 (180deg=0) USER MOD Single : A 49 SER OG : rot -23:sc= -0.149 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= 0.44 F(o=-0.56,f=0.44) USER MOD Single : A 59 MET CE :methyl -169:sc= -3! (180deg=-3.21) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.53 K(o=-1.5,f=-12!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00156 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.865 USER MOD Single : A 74 CYS SG : rot 72:sc= 0.919 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= -0.164 (180deg=-0.659) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.63 K(o=-0.63,f=-2.7!) USER MOD Single : A 84 GLN : amide:sc= -2.19 K(o=-2.2,f=-4!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0683 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0416 F(o=-3.7!,f=-0.042) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.653 6.558 -21.002 1.00 0.00 N ATOM 2 CA GLY A 1 -6.746 6.010 -20.219 1.00 0.00 C ATOM 3 C GLY A 1 -6.473 6.061 -18.728 1.00 0.00 C ATOM 4 O GLY A 1 -5.791 6.965 -18.246 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.034 7.184 -21.740 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.019 7.101 -20.381 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.121 5.782 -21.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.659 6.564 -20.437 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.921 4.977 -20.518 1.00 0.00 H new ATOM 8 N SER A 2 -7.008 5.089 -17.997 1.00 0.00 N ATOM 9 CA SER A 2 -6.824 5.030 -16.552 1.00 0.00 C ATOM 10 C SER A 2 -7.373 6.286 -15.882 1.00 0.00 C ATOM 11 O SER A 2 -6.745 6.849 -14.985 1.00 0.00 O ATOM 12 CB SER A 2 -5.342 4.863 -16.212 1.00 0.00 C ATOM 13 OG SER A 2 -4.839 3.635 -16.709 1.00 0.00 O ATOM 0 H SER A 2 -7.572 4.331 -18.382 1.00 0.00 H new ATOM 0 HA SER A 2 -7.375 4.168 -16.175 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.773 5.691 -16.636 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.207 4.904 -15.131 1.00 0.00 H new ATOM 0 HG SER A 2 -4.234 3.238 -16.048 1.00 0.00 H new ATOM 19 N SER A 3 -8.549 6.719 -16.325 1.00 0.00 N ATOM 20 CA SER A 3 -9.182 7.911 -15.772 1.00 0.00 C ATOM 21 C SER A 3 -9.995 7.567 -14.528 1.00 0.00 C ATOM 22 O SER A 3 -9.942 8.273 -13.523 1.00 0.00 O ATOM 23 CB SER A 3 -10.083 8.568 -16.819 1.00 0.00 C ATOM 24 OG SER A 3 -10.367 9.913 -16.476 1.00 0.00 O ATOM 0 H SER A 3 -9.083 6.263 -17.065 1.00 0.00 H new ATOM 0 HA SER A 3 -8.396 8.611 -15.489 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.598 8.533 -17.794 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.014 8.007 -16.906 1.00 0.00 H new ATOM 0 HG SER A 3 -10.943 10.311 -17.162 1.00 0.00 H new ATOM 30 N GLY A 4 -10.749 6.474 -14.605 1.00 0.00 N ATOM 31 CA GLY A 4 -11.563 6.054 -13.480 1.00 0.00 C ATOM 32 C GLY A 4 -10.734 5.727 -12.254 1.00 0.00 C ATOM 33 O GLY A 4 -9.537 5.462 -12.358 1.00 0.00 O ATOM 0 H GLY A 4 -10.810 5.872 -15.426 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.273 6.844 -13.234 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.146 5.178 -13.765 1.00 0.00 H new ATOM 37 N SER A 5 -11.372 5.749 -11.088 1.00 0.00 N ATOM 38 CA SER A 5 -10.684 5.458 -9.835 1.00 0.00 C ATOM 39 C SER A 5 -10.308 3.982 -9.752 1.00 0.00 C ATOM 40 O SER A 5 -9.132 3.636 -9.634 1.00 0.00 O ATOM 41 CB SER A 5 -11.565 5.840 -8.644 1.00 0.00 C ATOM 42 OG SER A 5 -10.837 5.778 -7.430 1.00 0.00 O ATOM 0 H SER A 5 -12.363 5.965 -10.985 1.00 0.00 H new ATOM 0 HA SER A 5 -9.769 6.050 -9.805 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.957 6.847 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.422 5.169 -8.592 1.00 0.00 H new ATOM 0 HG SER A 5 -11.390 6.125 -6.699 1.00 0.00 H new ATOM 48 N SER A 6 -11.315 3.117 -9.812 1.00 0.00 N ATOM 49 CA SER A 6 -11.091 1.678 -9.740 1.00 0.00 C ATOM 50 C SER A 6 -10.158 1.216 -10.855 1.00 0.00 C ATOM 51 O SER A 6 -10.605 0.829 -11.933 1.00 0.00 O ATOM 52 CB SER A 6 -12.422 0.929 -9.830 1.00 0.00 C ATOM 53 OG SER A 6 -13.209 1.145 -8.672 1.00 0.00 O ATOM 0 H SER A 6 -12.294 3.387 -9.910 1.00 0.00 H new ATOM 0 HA SER A 6 -10.621 1.456 -8.782 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.970 1.260 -10.712 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.235 -0.138 -9.952 1.00 0.00 H new ATOM 0 HG SER A 6 -13.807 0.381 -8.536 1.00 0.00 H new ATOM 59 N GLY A 7 -8.857 1.260 -10.585 1.00 0.00 N ATOM 60 CA GLY A 7 -7.880 0.844 -11.574 1.00 0.00 C ATOM 61 C GLY A 7 -6.454 1.009 -11.086 1.00 0.00 C ATOM 62 O GLY A 7 -6.213 1.139 -9.886 1.00 0.00 O ATOM 0 H GLY A 7 -8.462 1.576 -9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.053 -0.200 -11.834 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.019 1.427 -12.485 1.00 0.00 H new ATOM 66 N ASP A 8 -5.507 1.003 -12.017 1.00 0.00 N ATOM 67 CA ASP A 8 -4.097 1.152 -11.676 1.00 0.00 C ATOM 68 C ASP A 8 -3.836 2.509 -11.028 1.00 0.00 C ATOM 69 O ASP A 8 -4.250 3.546 -11.545 1.00 0.00 O ATOM 70 CB ASP A 8 -3.228 0.994 -12.924 1.00 0.00 C ATOM 71 CG ASP A 8 -3.836 1.664 -14.141 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.670 1.024 -14.815 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.476 2.827 -14.420 1.00 0.00 O ATOM 0 H ASP A 8 -5.690 0.896 -13.015 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.837 0.371 -10.961 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.242 1.419 -12.733 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.083 -0.066 -13.131 1.00 0.00 H new ATOM 78 N VAL A 9 -3.148 2.493 -9.891 1.00 0.00 N ATOM 79 CA VAL A 9 -2.831 3.721 -9.171 1.00 0.00 C ATOM 80 C VAL A 9 -1.327 3.866 -8.967 1.00 0.00 C ATOM 81 O VAL A 9 -0.607 2.874 -8.848 1.00 0.00 O ATOM 82 CB VAL A 9 -3.531 3.764 -7.800 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.889 4.813 -6.905 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.018 4.035 -7.970 1.00 0.00 C ATOM 0 H VAL A 9 -2.799 1.643 -9.448 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.193 4.548 -9.781 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.414 2.792 -7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.397 4.829 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.837 4.570 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.973 5.793 -7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.497 4.062 -6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.158 4.994 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.466 3.244 -8.571 1.00 0.00 H new ATOM 94 N PHE A 10 -0.858 5.109 -8.927 1.00 0.00 N ATOM 95 CA PHE A 10 0.561 5.385 -8.737 1.00 0.00 C ATOM 96 C PHE A 10 0.771 6.419 -7.635 1.00 0.00 C ATOM 97 O PHE A 10 0.455 7.597 -7.807 1.00 0.00 O ATOM 98 CB PHE A 10 1.185 5.880 -10.043 1.00 0.00 C ATOM 99 CG PHE A 10 1.438 4.785 -11.040 1.00 0.00 C ATOM 100 CD1 PHE A 10 0.432 4.359 -11.892 1.00 0.00 C ATOM 101 CD2 PHE A 10 2.683 4.182 -11.124 1.00 0.00 C ATOM 102 CE1 PHE A 10 0.663 3.352 -12.810 1.00 0.00 C ATOM 103 CE2 PHE A 10 2.919 3.175 -12.041 1.00 0.00 C ATOM 104 CZ PHE A 10 1.908 2.759 -12.884 1.00 0.00 C ATOM 0 H PHE A 10 -1.440 5.941 -9.024 1.00 0.00 H new ATOM 0 HA PHE A 10 1.049 4.458 -8.438 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.527 6.624 -10.492 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.127 6.381 -9.819 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.544 4.819 -11.838 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.477 4.502 -10.466 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.129 3.029 -13.469 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.894 2.714 -12.098 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.090 1.971 -13.600 1.00 0.00 H new ATOM 114 N ILE A 11 1.306 5.970 -6.505 1.00 0.00 N ATOM 115 CA ILE A 11 1.559 6.856 -5.375 1.00 0.00 C ATOM 116 C ILE A 11 2.978 7.413 -5.421 1.00 0.00 C ATOM 117 O ILE A 11 3.951 6.671 -5.294 1.00 0.00 O ATOM 118 CB ILE A 11 1.348 6.131 -4.033 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.114 5.703 -3.885 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.763 7.027 -2.876 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.091 6.856 -3.944 1.00 0.00 C ATOM 0 H ILE A 11 1.573 4.998 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 11 0.846 7.677 -5.451 1.00 0.00 H new ATOM 0 HB ILE A 11 1.972 5.238 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.357 4.991 -4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.237 5.182 -2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.608 6.500 -1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.817 7.287 -2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.162 7.936 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.107 6.478 -3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.874 7.558 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.996 7.364 -4.904 1.00 0.00 H new ATOM 133 N GLU A 12 3.086 8.726 -5.602 1.00 0.00 N ATOM 134 CA GLU A 12 4.387 9.383 -5.663 1.00 0.00 C ATOM 135 C GLU A 12 4.714 10.066 -4.338 1.00 0.00 C ATOM 136 O GLU A 12 4.092 11.063 -3.970 1.00 0.00 O ATOM 137 CB GLU A 12 4.412 10.408 -6.798 1.00 0.00 C ATOM 138 CG GLU A 12 4.674 9.797 -8.165 1.00 0.00 C ATOM 139 CD GLU A 12 5.190 10.810 -9.168 1.00 0.00 C ATOM 140 OE1 GLU A 12 5.993 11.681 -8.773 1.00 0.00 O ATOM 141 OE2 GLU A 12 4.790 10.732 -10.349 1.00 0.00 O ATOM 0 H GLU A 12 2.290 9.355 -5.709 1.00 0.00 H new ATOM 0 HA GLU A 12 5.142 8.621 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.458 10.935 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.181 11.151 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.399 8.989 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.753 9.354 -8.543 1.00 0.00 H new ATOM 148 N LYS A 13 5.695 9.523 -3.625 1.00 0.00 N ATOM 149 CA LYS A 13 6.107 10.079 -2.342 1.00 0.00 C ATOM 150 C LYS A 13 7.617 10.291 -2.301 1.00 0.00 C ATOM 151 O LYS A 13 8.305 10.116 -3.306 1.00 0.00 O ATOM 152 CB LYS A 13 5.680 9.152 -1.201 1.00 0.00 C ATOM 153 CG LYS A 13 6.409 7.820 -1.194 1.00 0.00 C ATOM 154 CD LYS A 13 6.102 7.023 0.063 1.00 0.00 C ATOM 155 CE LYS A 13 7.213 6.033 0.380 1.00 0.00 C ATOM 156 NZ LYS A 13 8.546 6.694 0.434 1.00 0.00 N ATOM 0 H LYS A 13 6.220 8.698 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 13 5.619 11.046 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.853 9.656 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.608 8.969 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.121 7.242 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.483 7.992 -1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.969 7.704 0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.161 6.487 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.008 5.551 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.227 5.248 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.093 6.308 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.057 6.518 -0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.421 7.718 0.564 1.00 0.00 H new ATOM 170 N GLN A 14 8.125 10.667 -1.132 1.00 0.00 N ATOM 171 CA GLN A 14 9.554 10.901 -0.960 1.00 0.00 C ATOM 172 C GLN A 14 10.181 9.825 -0.080 1.00 0.00 C ATOM 173 O GLN A 14 9.854 9.705 1.101 1.00 0.00 O ATOM 174 CB GLN A 14 9.796 12.282 -0.349 1.00 0.00 C ATOM 175 CG GLN A 14 9.486 13.430 -1.296 1.00 0.00 C ATOM 176 CD GLN A 14 9.870 14.780 -0.722 1.00 0.00 C ATOM 177 OE1 GLN A 14 9.439 15.147 0.372 1.00 0.00 O ATOM 178 NE2 GLN A 14 10.684 15.527 -1.458 1.00 0.00 N ATOM 0 H GLN A 14 7.569 10.816 -0.290 1.00 0.00 H new ATOM 0 HA GLN A 14 10.024 10.859 -1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.184 12.386 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.837 12.353 -0.034 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.017 13.275 -2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.421 13.428 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.017 15.183 -2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.977 16.445 -1.123 1.00 0.00 H new ATOM 187 N LYS A 15 11.084 9.043 -0.662 1.00 0.00 N ATOM 188 CA LYS A 15 11.759 7.977 0.068 1.00 0.00 C ATOM 189 C LYS A 15 11.992 8.376 1.522 1.00 0.00 C ATOM 190 O LYS A 15 12.135 9.557 1.836 1.00 0.00 O ATOM 191 CB LYS A 15 13.093 7.638 -0.599 1.00 0.00 C ATOM 192 CG LYS A 15 12.954 7.181 -2.041 1.00 0.00 C ATOM 193 CD LYS A 15 14.269 7.300 -2.794 1.00 0.00 C ATOM 194 CE LYS A 15 14.144 6.784 -4.219 1.00 0.00 C ATOM 195 NZ LYS A 15 15.378 7.041 -5.012 1.00 0.00 N ATOM 0 H LYS A 15 11.365 9.128 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 15 11.117 7.096 0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.739 8.515 -0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.588 6.855 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.613 6.146 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.192 7.779 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.587 8.342 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.042 6.739 -2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.940 5.713 -4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.294 7.262 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.253 6.675 -5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.559 8.064 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.185 6.564 -4.562 1.00 0.00 H new ATOM 209 N GLY A 16 12.030 7.383 2.405 1.00 0.00 N ATOM 210 CA GLY A 16 12.248 7.651 3.814 1.00 0.00 C ATOM 211 C GLY A 16 10.954 7.697 4.602 1.00 0.00 C ATOM 212 O GLY A 16 10.892 7.218 5.734 1.00 0.00 O ATOM 0 H GLY A 16 11.914 6.397 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.897 6.881 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.770 8.601 3.923 1.00 0.00 H new ATOM 216 N GLU A 17 9.918 8.278 4.004 1.00 0.00 N ATOM 217 CA GLU A 17 8.620 8.386 4.659 1.00 0.00 C ATOM 218 C GLU A 17 7.740 7.186 4.325 1.00 0.00 C ATOM 219 O GLU A 17 8.022 6.437 3.389 1.00 0.00 O ATOM 220 CB GLU A 17 7.919 9.680 4.239 1.00 0.00 C ATOM 221 CG GLU A 17 7.199 9.576 2.905 1.00 0.00 C ATOM 222 CD GLU A 17 6.255 10.737 2.660 1.00 0.00 C ATOM 223 OE1 GLU A 17 6.597 11.873 3.049 1.00 0.00 O ATOM 224 OE2 GLU A 17 5.174 10.509 2.078 1.00 0.00 O ATOM 0 H GLU A 17 9.953 8.681 3.068 1.00 0.00 H new ATOM 0 HA GLU A 17 8.785 8.404 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.201 9.961 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.656 10.481 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.934 9.535 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.637 8.642 2.871 1.00 0.00 H new ATOM 231 N ILE A 18 6.673 7.008 5.098 1.00 0.00 N ATOM 232 CA ILE A 18 5.752 5.900 4.884 1.00 0.00 C ATOM 233 C ILE A 18 4.635 6.291 3.922 1.00 0.00 C ATOM 234 O ILE A 18 4.568 7.431 3.462 1.00 0.00 O ATOM 235 CB ILE A 18 5.129 5.422 6.209 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.486 6.597 6.948 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.183 4.754 7.079 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.399 6.181 7.915 1.00 0.00 C ATOM 0 H ILE A 18 6.426 7.617 5.878 1.00 0.00 H new ATOM 0 HA ILE A 18 6.333 5.086 4.450 1.00 0.00 H new ATOM 0 HB ILE A 18 4.353 4.689 5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.258 7.139 7.494 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.066 7.289 6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.727 4.422 8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.599 3.895 6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.979 5.466 7.297 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.988 7.065 8.403 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.607 5.665 7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.818 5.513 8.668 1.00 0.00 H new ATOM 250 N LEU A 19 3.758 5.339 3.624 1.00 0.00 N ATOM 251 CA LEU A 19 2.641 5.583 2.718 1.00 0.00 C ATOM 252 C LEU A 19 1.539 6.377 3.413 1.00 0.00 C ATOM 253 O LEU A 19 0.451 6.557 2.868 1.00 0.00 O ATOM 254 CB LEU A 19 2.081 4.259 2.198 1.00 0.00 C ATOM 255 CG LEU A 19 0.996 4.363 1.125 1.00 0.00 C ATOM 256 CD1 LEU A 19 1.464 5.244 -0.023 1.00 0.00 C ATOM 257 CD2 LEU A 19 0.613 2.981 0.617 1.00 0.00 C ATOM 0 H LEU A 19 3.799 4.390 3.997 1.00 0.00 H new ATOM 0 HA LEU A 19 3.010 6.169 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.906 3.672 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.676 3.702 3.043 1.00 0.00 H new ATOM 0 HG LEU A 19 0.113 4.821 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.679 5.307 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.687 6.243 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.362 4.815 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.160 3.075 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.489 2.495 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.235 2.381 1.445 1.00 0.00 H new ATOM 269 N GLY A 20 1.830 6.850 4.621 1.00 0.00 N ATOM 270 CA GLY A 20 0.855 7.620 5.371 1.00 0.00 C ATOM 271 C GLY A 20 -0.566 7.154 5.123 1.00 0.00 C ATOM 272 O GLY A 20 -1.447 7.959 4.818 1.00 0.00 O ATOM 0 H GLY A 20 2.724 6.714 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.078 7.545 6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.942 8.672 5.100 1.00 0.00 H new ATOM 276 N VAL A 21 -0.790 5.851 5.253 1.00 0.00 N ATOM 277 CA VAL A 21 -2.115 5.278 5.040 1.00 0.00 C ATOM 278 C VAL A 21 -2.321 4.037 5.901 1.00 0.00 C ATOM 279 O VAL A 21 -1.360 3.398 6.328 1.00 0.00 O ATOM 280 CB VAL A 21 -2.335 4.907 3.562 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.730 3.545 3.257 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.818 4.929 3.223 1.00 0.00 C ATOM 0 H VAL A 21 -0.072 5.172 5.505 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.840 6.040 5.327 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.832 5.648 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.896 3.300 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.659 3.569 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.201 2.789 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.956 4.664 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.345 4.211 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.217 5.928 3.401 1.00 0.00 H new ATOM 292 N VAL A 22 -3.583 3.701 6.152 1.00 0.00 N ATOM 293 CA VAL A 22 -3.917 2.535 6.960 1.00 0.00 C ATOM 294 C VAL A 22 -4.789 1.557 6.181 1.00 0.00 C ATOM 295 O VAL A 22 -5.687 1.963 5.443 1.00 0.00 O ATOM 296 CB VAL A 22 -4.648 2.940 8.254 1.00 0.00 C ATOM 297 CG1 VAL A 22 -4.986 1.710 9.083 1.00 0.00 C ATOM 298 CG2 VAL A 22 -3.806 3.919 9.057 1.00 0.00 C ATOM 0 H VAL A 22 -4.390 4.220 5.807 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.976 2.050 7.219 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.581 3.435 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.502 2.015 9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.631 1.048 8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.068 1.184 9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.338 4.194 9.968 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.856 3.453 9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.620 4.813 8.461 1.00 0.00 H new ATOM 308 N ILE A 23 -4.519 0.267 6.351 1.00 0.00 N ATOM 309 CA ILE A 23 -5.281 -0.769 5.664 1.00 0.00 C ATOM 310 C ILE A 23 -5.886 -1.755 6.657 1.00 0.00 C ATOM 311 O ILE A 23 -5.440 -1.855 7.800 1.00 0.00 O ATOM 312 CB ILE A 23 -4.404 -1.541 4.660 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.216 -2.185 5.378 1.00 0.00 C ATOM 314 CG2 ILE A 23 -3.923 -0.613 3.555 1.00 0.00 C ATOM 315 CD1 ILE A 23 -2.736 -3.462 4.724 1.00 0.00 C ATOM 0 H ILE A 23 -3.779 -0.086 6.958 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.081 -0.265 5.122 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.003 -2.332 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.392 -1.472 5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.497 -2.398 6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.305 -1.173 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.783 -0.197 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.337 0.197 3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.892 -3.864 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.545 -4.192 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.424 -3.252 3.701 1.00 0.00 H new ATOM 327 N VAL A 24 -6.904 -2.485 6.212 1.00 0.00 N ATOM 328 CA VAL A 24 -7.569 -3.467 7.060 1.00 0.00 C ATOM 329 C VAL A 24 -8.139 -4.613 6.232 1.00 0.00 C ATOM 330 O VAL A 24 -8.068 -4.598 5.003 1.00 0.00 O ATOM 331 CB VAL A 24 -8.705 -2.825 7.878 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.144 -1.836 8.887 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.707 -2.147 6.955 1.00 0.00 C ATOM 0 H VAL A 24 -7.286 -2.415 5.269 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.815 -3.857 7.743 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.224 -3.611 8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.962 -1.393 9.455 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.468 -2.354 9.567 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.599 -1.051 8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.503 -1.698 7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.203 -1.371 6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.133 -2.885 6.276 1.00 0.00 H new ATOM 343 N GLU A 25 -8.703 -5.605 6.913 1.00 0.00 N ATOM 344 CA GLU A 25 -9.285 -6.760 6.239 1.00 0.00 C ATOM 345 C GLU A 25 -10.501 -6.352 5.412 1.00 0.00 C ATOM 346 O GLU A 25 -11.413 -5.696 5.914 1.00 0.00 O ATOM 347 CB GLU A 25 -9.683 -7.828 7.260 1.00 0.00 C ATOM 348 CG GLU A 25 -8.541 -8.265 8.161 1.00 0.00 C ATOM 349 CD GLU A 25 -8.773 -9.631 8.776 1.00 0.00 C ATOM 350 OE1 GLU A 25 -9.369 -10.493 8.096 1.00 0.00 O ATOM 351 OE2 GLU A 25 -8.359 -9.839 9.935 1.00 0.00 O ATOM 0 H GLU A 25 -8.769 -5.632 7.930 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.533 -7.173 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.495 -7.444 7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.070 -8.698 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.615 -8.282 7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.409 -7.531 8.956 1.00 0.00 H new ATOM 358 N SER A 26 -10.505 -6.745 4.142 1.00 0.00 N ATOM 359 CA SER A 26 -11.605 -6.416 3.244 1.00 0.00 C ATOM 360 C SER A 26 -12.688 -7.490 3.297 1.00 0.00 C ATOM 361 O SER A 26 -13.349 -7.771 2.298 1.00 0.00 O ATOM 362 CB SER A 26 -11.093 -6.262 1.811 1.00 0.00 C ATOM 363 OG SER A 26 -10.286 -5.105 1.680 1.00 0.00 O ATOM 0 H SER A 26 -9.759 -7.292 3.712 1.00 0.00 H new ATOM 0 HA SER A 26 -12.038 -5.471 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.518 -7.144 1.530 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.937 -6.200 1.124 1.00 0.00 H new ATOM 0 HG SER A 26 -9.867 -5.097 0.794 1.00 0.00 H new ATOM 369 N GLY A 27 -12.863 -8.089 4.471 1.00 0.00 N ATOM 370 CA GLY A 27 -13.866 -9.125 4.633 1.00 0.00 C ATOM 371 C GLY A 27 -15.244 -8.560 4.910 1.00 0.00 C ATOM 372 O GLY A 27 -15.906 -8.961 5.868 1.00 0.00 O ATOM 0 H GLY A 27 -12.328 -7.875 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.902 -9.736 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.575 -9.783 5.452 1.00 0.00 H new ATOM 376 N TRP A 28 -15.678 -7.625 4.072 1.00 0.00 N ATOM 377 CA TRP A 28 -16.987 -7.002 4.233 1.00 0.00 C ATOM 378 C TRP A 28 -17.858 -7.242 3.005 1.00 0.00 C ATOM 379 O TRP A 28 -18.610 -6.364 2.584 1.00 0.00 O ATOM 380 CB TRP A 28 -16.833 -5.501 4.479 1.00 0.00 C ATOM 381 CG TRP A 28 -15.802 -5.171 5.516 1.00 0.00 C ATOM 382 CD1 TRP A 28 -14.447 -5.275 5.386 1.00 0.00 C ATOM 383 CD2 TRP A 28 -16.044 -4.687 6.841 1.00 0.00 C ATOM 384 NE1 TRP A 28 -13.831 -4.884 6.550 1.00 0.00 N ATOM 385 CE2 TRP A 28 -14.789 -4.518 7.458 1.00 0.00 C ATOM 386 CE3 TRP A 28 -17.198 -4.377 7.565 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -14.659 -4.055 8.765 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -17.068 -3.918 8.862 1.00 0.00 C ATOM 389 CH2 TRP A 28 -15.806 -3.759 9.451 1.00 0.00 C ATOM 0 H TRP A 28 -15.143 -7.282 3.274 1.00 0.00 H new ATOM 0 HA TRP A 28 -17.475 -7.456 5.096 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -16.565 -5.012 3.542 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -17.794 -5.091 4.789 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -13.934 -5.615 4.498 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -12.824 -4.869 6.712 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -18.175 -4.494 7.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -13.688 -3.934 9.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -17.954 -3.678 9.431 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.737 -3.396 10.466 1.00 0.00 H new ATOM 400 N GLY A 29 -17.753 -8.438 2.433 1.00 0.00 N ATOM 401 CA GLY A 29 -18.537 -8.771 1.259 1.00 0.00 C ATOM 402 C GLY A 29 -17.706 -8.787 -0.009 1.00 0.00 C ATOM 403 O GLY A 29 -17.938 -9.603 -0.901 1.00 0.00 O ATOM 0 H GLY A 29 -17.138 -9.182 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.998 -9.749 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.346 -8.049 1.150 1.00 0.00 H new ATOM 407 N SER A 30 -16.735 -7.883 -0.089 1.00 0.00 N ATOM 408 CA SER A 30 -15.870 -7.792 -1.259 1.00 0.00 C ATOM 409 C SER A 30 -15.532 -9.180 -1.794 1.00 0.00 C ATOM 410 O SER A 30 -15.052 -10.041 -1.057 1.00 0.00 O ATOM 411 CB SER A 30 -14.583 -7.040 -0.912 1.00 0.00 C ATOM 412 OG SER A 30 -14.843 -5.969 -0.021 1.00 0.00 O ATOM 0 H SER A 30 -16.528 -7.203 0.643 1.00 0.00 H new ATOM 0 HA SER A 30 -16.406 -7.243 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.867 -7.727 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.125 -6.656 -1.824 1.00 0.00 H new ATOM 0 HG SER A 30 -14.005 -5.505 0.187 1.00 0.00 H new ATOM 418 N ILE A 31 -15.788 -9.390 -3.081 1.00 0.00 N ATOM 419 CA ILE A 31 -15.511 -10.672 -3.715 1.00 0.00 C ATOM 420 C ILE A 31 -14.106 -11.160 -3.378 1.00 0.00 C ATOM 421 O ILE A 31 -13.924 -12.278 -2.893 1.00 0.00 O ATOM 422 CB ILE A 31 -15.659 -10.587 -5.246 1.00 0.00 C ATOM 423 CG1 ILE A 31 -16.776 -9.610 -5.618 1.00 0.00 C ATOM 424 CG2 ILE A 31 -15.936 -11.965 -5.829 1.00 0.00 C ATOM 425 CD1 ILE A 31 -16.291 -8.196 -5.848 1.00 0.00 C ATOM 0 H ILE A 31 -16.187 -8.688 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.242 -11.381 -3.326 1.00 0.00 H new ATOM 0 HB ILE A 31 -14.724 -10.218 -5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.273 -9.966 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.522 -9.605 -4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -16.038 -11.888 -6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.110 -12.634 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.859 -12.361 -5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.137 -7.559 -6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -15.820 -7.821 -4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -15.567 -8.188 -6.663 1.00 0.00 H new ATOM 437 N LEU A 32 -13.114 -10.315 -3.637 1.00 0.00 N ATOM 438 CA LEU A 32 -11.724 -10.658 -3.360 1.00 0.00 C ATOM 439 C LEU A 32 -11.240 -9.981 -2.082 1.00 0.00 C ATOM 440 O LEU A 32 -10.835 -8.818 -2.081 1.00 0.00 O ATOM 441 CB LEU A 32 -10.833 -10.252 -4.535 1.00 0.00 C ATOM 442 CG LEU A 32 -10.838 -11.194 -5.739 1.00 0.00 C ATOM 443 CD1 LEU A 32 -10.264 -12.550 -5.358 1.00 0.00 C ATOM 444 CD2 LEU A 32 -12.248 -11.346 -6.291 1.00 0.00 C ATOM 0 H LEU A 32 -13.247 -9.387 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.663 -11.738 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.140 -9.262 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.809 -10.162 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.209 -10.762 -6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.276 -13.207 -6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.238 -12.426 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.866 -12.990 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.233 -12.020 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.899 -11.756 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.624 -10.371 -6.603 1.00 0.00 H new ATOM 456 N PRO A 33 -11.281 -10.724 -0.966 1.00 0.00 N ATOM 457 CA PRO A 33 -10.848 -10.216 0.340 1.00 0.00 C ATOM 458 C PRO A 33 -9.339 -10.015 0.412 1.00 0.00 C ATOM 459 O PRO A 33 -8.594 -10.936 0.748 1.00 0.00 O ATOM 460 CB PRO A 33 -11.288 -11.314 1.311 1.00 0.00 C ATOM 461 CG PRO A 33 -11.337 -12.553 0.485 1.00 0.00 C ATOM 462 CD PRO A 33 -11.753 -12.117 -0.892 1.00 0.00 C ATOM 0 HA PRO A 33 -11.276 -9.238 0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.585 -11.417 2.137 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.262 -11.090 1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.365 -13.045 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.047 -13.270 0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.298 -12.737 -1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.833 -12.183 -1.025 1.00 0.00 H new ATOM 470 N THR A 34 -8.892 -8.804 0.094 1.00 0.00 N ATOM 471 CA THR A 34 -7.470 -8.482 0.122 1.00 0.00 C ATOM 472 C THR A 34 -7.159 -7.461 1.211 1.00 0.00 C ATOM 473 O THR A 34 -6.621 -7.804 2.263 1.00 0.00 O ATOM 474 CB THR A 34 -6.992 -7.931 -1.234 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.648 -6.690 -1.518 1.00 0.00 O ATOM 476 CG2 THR A 34 -7.273 -8.925 -2.351 1.00 0.00 C ATOM 0 H THR A 34 -9.494 -8.030 -0.186 1.00 0.00 H new ATOM 0 HA THR A 34 -6.940 -9.410 0.336 1.00 0.00 H new ATOM 0 HB THR A 34 -5.916 -7.768 -1.175 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.086 -6.152 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.927 -8.514 -3.299 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.749 -9.859 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.345 -9.115 -2.408 1.00 0.00 H new ATOM 484 N VAL A 35 -7.503 -6.203 0.951 1.00 0.00 N ATOM 485 CA VAL A 35 -7.262 -5.131 1.910 1.00 0.00 C ATOM 486 C VAL A 35 -7.826 -3.807 1.408 1.00 0.00 C ATOM 487 O VAL A 35 -7.756 -3.503 0.216 1.00 0.00 O ATOM 488 CB VAL A 35 -5.758 -4.961 2.195 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.333 -5.838 3.364 1.00 0.00 C ATOM 490 CG2 VAL A 35 -4.941 -5.282 0.953 1.00 0.00 C ATOM 0 H VAL A 35 -7.949 -5.902 0.085 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.770 -5.412 2.833 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.573 -3.921 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.267 -5.704 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.895 -5.556 4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.531 -6.883 3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.881 -5.157 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.129 -6.312 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.226 -4.608 0.145 1.00 0.00 H new ATOM 500 N ILE A 36 -8.384 -3.022 2.323 1.00 0.00 N ATOM 501 CA ILE A 36 -8.959 -1.730 1.973 1.00 0.00 C ATOM 502 C ILE A 36 -8.437 -0.629 2.891 1.00 0.00 C ATOM 503 O ILE A 36 -7.995 -0.898 4.009 1.00 0.00 O ATOM 504 CB ILE A 36 -10.497 -1.758 2.047 1.00 0.00 C ATOM 505 CG1 ILE A 36 -10.955 -2.437 3.339 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.072 -2.474 0.834 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.441 -2.316 3.592 1.00 0.00 C ATOM 0 H ILE A 36 -8.450 -3.259 3.313 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.657 -1.519 0.947 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.865 -0.732 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.686 -3.493 3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.415 -2.002 4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.160 -2.486 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.769 -1.952 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.699 -3.498 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.694 -2.820 4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.713 -1.263 3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.989 -2.777 2.770 1.00 0.00 H new ATOM 519 N ILE A 37 -8.494 0.609 2.413 1.00 0.00 N ATOM 520 CA ILE A 37 -8.031 1.750 3.192 1.00 0.00 C ATOM 521 C ILE A 37 -8.960 2.027 4.369 1.00 0.00 C ATOM 522 O ILE A 37 -10.147 2.295 4.186 1.00 0.00 O ATOM 523 CB ILE A 37 -7.927 3.019 2.326 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.193 2.712 1.019 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.218 4.126 3.090 1.00 0.00 C ATOM 526 CD1 ILE A 37 -8.111 2.273 -0.101 1.00 0.00 C ATOM 0 H ILE A 37 -8.856 0.847 1.490 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.040 1.493 3.567 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.934 3.359 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.645 3.600 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.455 1.930 1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.153 5.016 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.778 4.360 3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.214 3.797 3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.523 2.072 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.640 1.367 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.833 3.063 -0.311 1.00 0.00 H new ATOM 538 N ALA A 38 -8.412 1.960 5.578 1.00 0.00 N ATOM 539 CA ALA A 38 -9.191 2.207 6.785 1.00 0.00 C ATOM 540 C ALA A 38 -9.129 3.677 7.187 1.00 0.00 C ATOM 541 O ALA A 38 -10.030 4.186 7.853 1.00 0.00 O ATOM 542 CB ALA A 38 -8.695 1.326 7.922 1.00 0.00 C ATOM 0 H ALA A 38 -7.431 1.737 5.747 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.231 1.958 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.285 1.521 8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.797 0.278 7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.647 1.548 8.123 1.00 0.00 H new ATOM 548 N ASN A 39 -8.061 4.353 6.778 1.00 0.00 N ATOM 549 CA ASN A 39 -7.882 5.765 7.097 1.00 0.00 C ATOM 550 C ASN A 39 -6.642 6.325 6.408 1.00 0.00 C ATOM 551 O ASN A 39 -5.677 5.603 6.161 1.00 0.00 O ATOM 552 CB ASN A 39 -7.769 5.957 8.611 1.00 0.00 C ATOM 553 CG ASN A 39 -8.296 7.305 9.064 1.00 0.00 C ATOM 554 OD1 ASN A 39 -7.524 8.356 8.813 1.00 0.00 O flip ATOM 555 ND2 ASN A 39 -9.384 7.399 9.632 1.00 0.00 N flip ATOM 0 H ASN A 39 -7.306 3.946 6.225 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.754 6.308 6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.321 5.165 9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.725 5.859 8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.943 6.564 9.804 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.726 8.312 9.931 1.00 0.00 H new ATOM 562 N MET A 40 -6.675 7.618 6.101 1.00 0.00 N ATOM 563 CA MET A 40 -5.553 8.276 5.442 1.00 0.00 C ATOM 564 C MET A 40 -4.929 9.329 6.352 1.00 0.00 C ATOM 565 O MET A 40 -5.634 10.140 6.952 1.00 0.00 O ATOM 566 CB MET A 40 -6.010 8.923 4.133 1.00 0.00 C ATOM 567 CG MET A 40 -6.190 7.931 2.995 1.00 0.00 C ATOM 568 SD MET A 40 -6.533 8.737 1.419 1.00 0.00 S ATOM 569 CE MET A 40 -8.238 8.257 1.157 1.00 0.00 C ATOM 0 H MET A 40 -7.466 8.230 6.298 1.00 0.00 H new ATOM 0 HA MET A 40 -4.800 7.520 5.221 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.953 9.442 4.304 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.280 9.676 3.835 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.289 7.325 2.900 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.007 7.251 3.236 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.697 8.926 0.429 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.275 7.234 0.783 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.782 8.319 2.099 1.00 0.00 H new ATOM 579 N MET A 41 -3.604 9.310 6.451 1.00 0.00 N ATOM 580 CA MET A 41 -2.886 10.264 7.288 1.00 0.00 C ATOM 581 C MET A 41 -3.301 11.695 6.960 1.00 0.00 C ATOM 582 O MET A 41 -3.676 11.998 5.827 1.00 0.00 O ATOM 583 CB MET A 41 -1.376 10.103 7.102 1.00 0.00 C ATOM 584 CG MET A 41 -0.558 10.695 8.239 1.00 0.00 C ATOM 585 SD MET A 41 -0.633 9.699 9.740 1.00 0.00 S ATOM 586 CE MET A 41 -0.041 8.122 9.131 1.00 0.00 C ATOM 0 H MET A 41 -3.006 8.644 5.962 1.00 0.00 H new ATOM 0 HA MET A 41 -3.140 10.060 8.328 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.140 9.043 7.009 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.080 10.578 6.167 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.481 10.791 7.923 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.919 11.700 8.456 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.156 7.458 9.972 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.796 7.675 8.485 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.878 8.272 8.565 1.00 0.00 H new ATOM 596 N HIS A 42 -3.232 12.570 7.958 1.00 0.00 N ATOM 597 CA HIS A 42 -3.601 13.969 7.775 1.00 0.00 C ATOM 598 C HIS A 42 -2.444 14.761 7.172 1.00 0.00 C ATOM 599 O HIS A 42 -2.158 15.880 7.596 1.00 0.00 O ATOM 600 CB HIS A 42 -4.018 14.588 9.109 1.00 0.00 C ATOM 601 CG HIS A 42 -5.107 13.832 9.806 1.00 0.00 C ATOM 602 ND1 HIS A 42 -5.220 13.768 11.178 1.00 0.00 N ATOM 603 CD2 HIS A 42 -6.138 13.107 9.311 1.00 0.00 C ATOM 604 CE1 HIS A 42 -6.272 13.035 11.498 1.00 0.00 C ATOM 605 NE2 HIS A 42 -6.846 12.622 10.382 1.00 0.00 N ATOM 0 H HIS A 42 -2.924 12.335 8.902 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.445 14.009 7.086 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.148 14.641 9.763 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.350 15.612 8.937 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.362 12.941 8.267 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.606 12.812 12.501 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.680 12.038 10.326 1.00 0.00 H new ATOM 614 N GLY A 43 -1.783 14.172 6.181 1.00 0.00 N ATOM 615 CA GLY A 43 -0.665 14.836 5.537 1.00 0.00 C ATOM 616 C GLY A 43 0.344 13.857 4.971 1.00 0.00 C ATOM 617 O GLY A 43 1.544 14.128 4.958 1.00 0.00 O ATOM 0 H GLY A 43 -2.002 13.246 5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.038 15.473 4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.170 15.487 6.257 1.00 0.00 H new ATOM 621 N GLY A 44 -0.144 12.713 4.501 1.00 0.00 N ATOM 622 CA GLY A 44 0.737 11.706 3.939 1.00 0.00 C ATOM 623 C GLY A 44 0.674 11.660 2.425 1.00 0.00 C ATOM 624 O GLY A 44 -0.028 12.446 1.788 1.00 0.00 O ATOM 0 H GLY A 44 -1.134 12.466 4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.761 11.909 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.469 10.729 4.341 1.00 0.00 H new ATOM 628 N PRO A 45 1.422 10.722 1.826 1.00 0.00 N ATOM 629 CA PRO A 45 1.466 10.555 0.370 1.00 0.00 C ATOM 630 C PRO A 45 0.158 10.009 -0.191 1.00 0.00 C ATOM 631 O PRO A 45 -0.278 10.403 -1.272 1.00 0.00 O ATOM 632 CB PRO A 45 2.599 9.547 0.162 1.00 0.00 C ATOM 633 CG PRO A 45 2.664 8.782 1.439 1.00 0.00 C ATOM 634 CD PRO A 45 2.283 9.752 2.523 1.00 0.00 C ATOM 0 HA PRO A 45 1.621 11.504 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.394 8.890 -0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.543 10.050 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.983 7.931 1.419 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.665 8.385 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.753 9.257 3.337 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.159 10.233 2.958 1.00 0.00 H new ATOM 642 N ALA A 46 -0.465 9.100 0.552 1.00 0.00 N ATOM 643 CA ALA A 46 -1.725 8.501 0.130 1.00 0.00 C ATOM 644 C ALA A 46 -2.874 9.497 0.253 1.00 0.00 C ATOM 645 O ALA A 46 -3.778 9.520 -0.582 1.00 0.00 O ATOM 646 CB ALA A 46 -2.017 7.252 0.949 1.00 0.00 C ATOM 0 H ALA A 46 -0.117 8.762 1.449 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.632 8.220 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.961 6.815 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.214 6.528 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.085 7.517 2.004 1.00 0.00 H new ATOM 652 N GLU A 47 -2.831 10.317 1.298 1.00 0.00 N ATOM 653 CA GLU A 47 -3.871 11.313 1.530 1.00 0.00 C ATOM 654 C GLU A 47 -3.809 12.418 0.479 1.00 0.00 C ATOM 655 O GLU A 47 -4.835 12.971 0.081 1.00 0.00 O ATOM 656 CB GLU A 47 -3.728 11.916 2.928 1.00 0.00 C ATOM 657 CG GLU A 47 -4.628 13.116 3.169 1.00 0.00 C ATOM 658 CD GLU A 47 -5.977 12.728 3.743 1.00 0.00 C ATOM 659 OE1 GLU A 47 -6.605 11.793 3.205 1.00 0.00 O ATOM 660 OE2 GLU A 47 -6.404 13.360 4.732 1.00 0.00 O ATOM 0 H GLU A 47 -2.088 10.312 1.997 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.838 10.816 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.953 11.149 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.691 12.214 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.132 13.806 3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.777 13.648 2.230 1.00 0.00 H new ATOM 667 N LYS A 48 -2.598 12.735 0.033 1.00 0.00 N ATOM 668 CA LYS A 48 -2.400 13.772 -0.972 1.00 0.00 C ATOM 669 C LYS A 48 -2.542 13.201 -2.380 1.00 0.00 C ATOM 670 O LYS A 48 -3.037 13.872 -3.285 1.00 0.00 O ATOM 671 CB LYS A 48 -1.020 14.413 -0.808 1.00 0.00 C ATOM 672 CG LYS A 48 -0.951 15.426 0.323 1.00 0.00 C ATOM 673 CD LYS A 48 0.479 15.862 0.594 1.00 0.00 C ATOM 674 CE LYS A 48 1.149 14.968 1.626 1.00 0.00 C ATOM 675 NZ LYS A 48 2.358 15.608 2.214 1.00 0.00 N ATOM 0 H LYS A 48 -1.739 12.288 0.352 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.167 14.533 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.284 13.630 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.743 14.903 -1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.556 16.297 0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.378 14.993 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.050 15.838 -0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.485 16.894 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.439 14.735 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.429 14.023 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.451 15.325 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.202 15.305 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.267 16.642 2.155 1.00 0.00 H new ATOM 689 N SER A 49 -2.106 11.958 -2.555 1.00 0.00 N ATOM 690 CA SER A 49 -2.183 11.297 -3.853 1.00 0.00 C ATOM 691 C SER A 49 -3.594 11.388 -4.426 1.00 0.00 C ATOM 692 O SER A 49 -3.777 11.628 -5.619 1.00 0.00 O ATOM 693 CB SER A 49 -1.764 9.831 -3.728 1.00 0.00 C ATOM 694 OG SER A 49 -2.595 9.139 -2.813 1.00 0.00 O ATOM 0 H SER A 49 -1.696 11.388 -1.815 1.00 0.00 H new ATOM 0 HA SER A 49 -1.500 11.806 -4.533 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.815 9.351 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.727 9.773 -3.398 1.00 0.00 H new ATOM 0 HG SER A 49 -3.001 9.779 -2.192 1.00 0.00 H new ATOM 700 N GLY A 50 -4.589 11.193 -3.566 1.00 0.00 N ATOM 701 CA GLY A 50 -5.971 11.256 -4.004 1.00 0.00 C ATOM 702 C GLY A 50 -6.306 10.184 -5.022 1.00 0.00 C ATOM 703 O GLY A 50 -7.314 10.276 -5.723 1.00 0.00 O ATOM 0 H GLY A 50 -4.463 10.993 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.628 11.151 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.168 12.237 -4.436 1.00 0.00 H new ATOM 707 N LYS A 51 -5.458 9.165 -5.107 1.00 0.00 N ATOM 708 CA LYS A 51 -5.668 8.071 -6.048 1.00 0.00 C ATOM 709 C LYS A 51 -6.630 7.036 -5.473 1.00 0.00 C ATOM 710 O LYS A 51 -7.317 6.332 -6.214 1.00 0.00 O ATOM 711 CB LYS A 51 -4.334 7.405 -6.393 1.00 0.00 C ATOM 712 CG LYS A 51 -3.257 8.387 -6.822 1.00 0.00 C ATOM 713 CD LYS A 51 -3.267 8.604 -8.326 1.00 0.00 C ATOM 714 CE LYS A 51 -4.161 9.772 -8.715 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.379 9.838 -10.186 1.00 0.00 N ATOM 0 H LYS A 51 -4.618 9.074 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.107 8.485 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.981 6.847 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.494 6.682 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.409 9.340 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.280 8.015 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.251 8.790 -8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.613 7.698 -8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.122 9.678 -8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.711 10.704 -8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.993 10.647 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.465 9.954 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.832 8.960 -10.510 1.00 0.00 H new ATOM 729 N LEU A 52 -6.676 6.950 -4.148 1.00 0.00 N ATOM 730 CA LEU A 52 -7.556 6.002 -3.473 1.00 0.00 C ATOM 731 C LEU A 52 -8.598 6.731 -2.631 1.00 0.00 C ATOM 732 O LEU A 52 -8.641 7.960 -2.606 1.00 0.00 O ATOM 733 CB LEU A 52 -6.739 5.057 -2.589 1.00 0.00 C ATOM 734 CG LEU A 52 -5.438 5.626 -2.023 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.424 5.849 -3.134 1.00 0.00 C ATOM 736 CD2 LEU A 52 -5.704 6.923 -1.273 1.00 0.00 C ATOM 0 H LEU A 52 -6.114 7.525 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.074 5.419 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.366 4.738 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.501 4.165 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.023 4.902 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.505 6.254 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.210 4.901 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.830 6.552 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.766 7.313 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.143 7.653 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.394 6.733 -0.451 1.00 0.00 H new ATOM 748 N ASN A 53 -9.435 5.963 -1.939 1.00 0.00 N ATOM 749 CA ASN A 53 -10.476 6.537 -1.094 1.00 0.00 C ATOM 750 C ASN A 53 -10.875 5.564 0.012 1.00 0.00 C ATOM 751 O ASN A 53 -10.790 4.347 -0.157 1.00 0.00 O ATOM 752 CB ASN A 53 -11.701 6.901 -1.935 1.00 0.00 C ATOM 753 CG ASN A 53 -11.335 7.276 -3.358 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.731 6.340 -4.080 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.592 8.395 -3.802 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.412 4.943 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.079 7.441 -0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.391 6.057 -1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.226 7.734 -1.466 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.058 9.084 -3.211 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.339 8.634 -4.761 1.00 0.00 H new ATOM 762 N ILE A 54 -11.310 6.109 1.143 1.00 0.00 N ATOM 763 CA ILE A 54 -11.724 5.290 2.275 1.00 0.00 C ATOM 764 C ILE A 54 -12.738 4.234 1.848 1.00 0.00 C ATOM 765 O ILE A 54 -13.897 4.544 1.577 1.00 0.00 O ATOM 766 CB ILE A 54 -12.337 6.149 3.397 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.366 7.257 3.809 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.697 5.280 4.593 1.00 0.00 C ATOM 769 CD1 ILE A 54 -10.080 6.739 4.414 1.00 0.00 C ATOM 0 H ILE A 54 -11.385 7.114 1.300 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.828 4.798 2.653 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.250 6.613 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.128 7.864 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.858 7.912 4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.129 5.901 5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.421 4.524 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.799 4.791 4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.440 7.579 4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.307 6.156 5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.565 6.108 3.690 1.00 0.00 H new ATOM 781 N GLY A 55 -12.292 2.982 1.792 1.00 0.00 N ATOM 782 CA GLY A 55 -13.173 1.898 1.399 1.00 0.00 C ATOM 783 C GLY A 55 -12.623 1.097 0.235 1.00 0.00 C ATOM 784 O GLY A 55 -12.897 -0.097 0.110 1.00 0.00 O ATOM 0 H GLY A 55 -11.337 2.700 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.331 1.235 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.147 2.306 1.128 1.00 0.00 H new ATOM 788 N ASP A 56 -11.848 1.755 -0.619 1.00 0.00 N ATOM 789 CA ASP A 56 -11.259 1.097 -1.780 1.00 0.00 C ATOM 790 C ASP A 56 -10.354 -0.053 -1.351 1.00 0.00 C ATOM 791 O ASP A 56 -9.733 -0.004 -0.289 1.00 0.00 O ATOM 792 CB ASP A 56 -10.465 2.103 -2.615 1.00 0.00 C ATOM 793 CG ASP A 56 -11.310 2.757 -3.690 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.100 3.664 -3.354 1.00 0.00 O ATOM 795 OD2 ASP A 56 -11.181 2.362 -4.868 1.00 0.00 O ATOM 0 H ASP A 56 -11.613 2.743 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.069 0.692 -2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.056 2.872 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.618 1.597 -3.080 1.00 0.00 H new ATOM 800 N GLN A 57 -10.285 -1.087 -2.183 1.00 0.00 N ATOM 801 CA GLN A 57 -9.457 -2.251 -1.888 1.00 0.00 C ATOM 802 C GLN A 57 -8.315 -2.375 -2.892 1.00 0.00 C ATOM 803 O GLN A 57 -8.436 -1.948 -4.040 1.00 0.00 O ATOM 804 CB GLN A 57 -10.305 -3.524 -1.903 1.00 0.00 C ATOM 805 CG GLN A 57 -10.360 -4.202 -3.262 1.00 0.00 C ATOM 806 CD GLN A 57 -11.573 -5.098 -3.419 1.00 0.00 C ATOM 807 OE1 GLN A 57 -11.450 -6.344 -2.976 1.00 0.00 O flip ATOM 808 NE2 GLN A 57 -12.609 -4.676 -3.932 1.00 0.00 N flip ATOM 0 H GLN A 57 -10.792 -1.143 -3.066 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.030 -2.119 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.904 -4.226 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.319 -3.279 -1.587 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.371 -3.442 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.456 -4.793 -3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.660 -3.711 -4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.417 -5.291 -4.030 1.00 0.00 H new ATOM 817 N ILE A 58 -7.207 -2.961 -2.451 1.00 0.00 N ATOM 818 CA ILE A 58 -6.044 -3.141 -3.311 1.00 0.00 C ATOM 819 C ILE A 58 -5.983 -4.562 -3.862 1.00 0.00 C ATOM 820 O ILE A 58 -5.908 -5.529 -3.105 1.00 0.00 O ATOM 821 CB ILE A 58 -4.735 -2.838 -2.559 1.00 0.00 C ATOM 822 CG1 ILE A 58 -4.867 -1.535 -1.767 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.571 -2.756 -3.534 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.686 -1.256 -0.863 1.00 0.00 C ATOM 0 H ILE A 58 -7.090 -3.319 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.150 -2.437 -4.137 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.539 -3.649 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.985 -0.706 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.774 -1.576 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.653 -2.541 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.468 -3.706 -4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.757 -1.962 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.847 -0.317 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.580 -2.067 -0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.778 -1.183 -1.462 1.00 0.00 H new ATOM 836 N MET A 59 -6.014 -4.679 -5.186 1.00 0.00 N ATOM 837 CA MET A 59 -5.959 -5.982 -5.839 1.00 0.00 C ATOM 838 C MET A 59 -4.547 -6.556 -5.789 1.00 0.00 C ATOM 839 O MET A 59 -4.358 -7.745 -5.531 1.00 0.00 O ATOM 840 CB MET A 59 -6.425 -5.868 -7.291 1.00 0.00 C ATOM 841 CG MET A 59 -7.924 -6.049 -7.465 1.00 0.00 C ATOM 842 SD MET A 59 -8.385 -7.763 -7.781 1.00 0.00 S ATOM 843 CE MET A 59 -8.571 -8.378 -6.109 1.00 0.00 C ATOM 0 H MET A 59 -6.077 -3.888 -5.827 1.00 0.00 H new ATOM 0 HA MET A 59 -6.626 -6.658 -5.303 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.138 -4.891 -7.680 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.905 -6.615 -7.890 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.435 -5.699 -6.568 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.268 -5.426 -8.291 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.662 -9.464 -6.129 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.698 -8.098 -5.519 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.466 -7.947 -5.660 1.00 0.00 H new ATOM 853 N SER A 60 -3.557 -5.704 -6.037 1.00 0.00 N ATOM 854 CA SER A 60 -2.162 -6.127 -6.025 1.00 0.00 C ATOM 855 C SER A 60 -1.238 -4.947 -5.743 1.00 0.00 C ATOM 856 O SER A 60 -1.660 -3.790 -5.787 1.00 0.00 O ATOM 857 CB SER A 60 -1.791 -6.772 -7.362 1.00 0.00 C ATOM 858 OG SER A 60 -2.161 -5.941 -8.449 1.00 0.00 O ATOM 0 H SER A 60 -3.696 -4.716 -6.249 1.00 0.00 H new ATOM 0 HA SER A 60 -2.038 -6.861 -5.229 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.718 -6.961 -7.393 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.287 -7.738 -7.453 1.00 0.00 H new ATOM 0 HG SER A 60 -1.912 -6.375 -9.292 1.00 0.00 H new ATOM 864 N ILE A 61 0.023 -5.247 -5.453 1.00 0.00 N ATOM 865 CA ILE A 61 1.008 -4.211 -5.164 1.00 0.00 C ATOM 866 C ILE A 61 2.229 -4.347 -6.068 1.00 0.00 C ATOM 867 O ILE A 61 3.079 -5.209 -5.853 1.00 0.00 O ATOM 868 CB ILE A 61 1.462 -4.261 -3.694 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.318 -3.841 -2.769 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.675 -3.367 -3.484 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.543 -4.217 -1.321 1.00 0.00 C ATOM 0 H ILE A 61 0.387 -6.199 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 61 0.524 -3.253 -5.353 1.00 0.00 H new ATOM 0 HB ILE A 61 1.743 -5.286 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.183 -2.762 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.607 -4.302 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.984 -3.413 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.492 -3.707 -4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.419 -2.339 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.307 -3.889 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.649 -5.299 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.450 -3.735 -0.957 1.00 0.00 H new ATOM 883 N ASN A 62 2.309 -3.487 -7.078 1.00 0.00 N ATOM 884 CA ASN A 62 3.427 -3.510 -8.014 1.00 0.00 C ATOM 885 C ASN A 62 3.491 -4.842 -8.753 1.00 0.00 C ATOM 886 O ASN A 62 4.560 -5.279 -9.177 1.00 0.00 O ATOM 887 CB ASN A 62 4.743 -3.261 -7.274 1.00 0.00 C ATOM 888 CG ASN A 62 5.072 -1.784 -7.160 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.564 -0.963 -7.923 1.00 0.00 O ATOM 890 ND2 ASN A 62 5.926 -1.441 -6.203 1.00 0.00 N ATOM 0 H ASN A 62 1.613 -2.766 -7.269 1.00 0.00 H new ATOM 0 HA ASN A 62 3.273 -2.717 -8.745 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.683 -3.695 -6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.552 -3.772 -7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.185 -0.463 -6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.323 -2.156 -5.593 1.00 0.00 H new ATOM 897 N GLY A 63 2.336 -5.484 -8.906 1.00 0.00 N ATOM 898 CA GLY A 63 2.283 -6.761 -9.595 1.00 0.00 C ATOM 899 C GLY A 63 2.218 -7.934 -8.637 1.00 0.00 C ATOM 900 O GLY A 63 2.320 -9.090 -9.051 1.00 0.00 O ATOM 0 H GLY A 63 1.437 -5.143 -8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.411 -6.781 -10.249 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.162 -6.864 -10.231 1.00 0.00 H new ATOM 904 N THR A 64 2.049 -7.639 -7.352 1.00 0.00 N ATOM 905 CA THR A 64 1.974 -8.677 -6.333 1.00 0.00 C ATOM 906 C THR A 64 0.554 -8.822 -5.798 1.00 0.00 C ATOM 907 O THR A 64 0.051 -7.942 -5.101 1.00 0.00 O ATOM 908 CB THR A 64 2.925 -8.381 -5.158 1.00 0.00 C ATOM 909 OG1 THR A 64 4.279 -8.338 -5.622 1.00 0.00 O ATOM 910 CG2 THR A 64 2.789 -9.438 -4.072 1.00 0.00 C ATOM 0 H THR A 64 1.961 -6.688 -6.993 1.00 0.00 H new ATOM 0 HA THR A 64 2.276 -9.609 -6.810 1.00 0.00 H new ATOM 0 HB THR A 64 2.655 -7.413 -4.736 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.877 -8.148 -4.869 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.470 -9.208 -3.253 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.764 -9.448 -3.700 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.035 -10.417 -4.484 1.00 0.00 H new ATOM 918 N SER A 65 -0.087 -9.938 -6.130 1.00 0.00 N ATOM 919 CA SER A 65 -1.452 -10.196 -5.685 1.00 0.00 C ATOM 920 C SER A 65 -1.515 -10.317 -4.166 1.00 0.00 C ATOM 921 O SER A 65 -0.661 -10.953 -3.546 1.00 0.00 O ATOM 922 CB SER A 65 -1.988 -11.474 -6.332 1.00 0.00 C ATOM 923 OG SER A 65 -1.072 -12.545 -6.182 1.00 0.00 O ATOM 0 H SER A 65 0.316 -10.678 -6.705 1.00 0.00 H new ATOM 0 HA SER A 65 -2.073 -9.354 -5.991 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.943 -11.742 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.176 -11.298 -7.391 1.00 0.00 H new ATOM 0 HG SER A 65 -1.439 -13.351 -6.603 1.00 0.00 H new ATOM 929 N LEU A 66 -2.531 -9.702 -3.571 1.00 0.00 N ATOM 930 CA LEU A 66 -2.707 -9.739 -2.123 1.00 0.00 C ATOM 931 C LEU A 66 -3.808 -10.720 -1.734 1.00 0.00 C ATOM 932 O LEU A 66 -3.784 -11.296 -0.646 1.00 0.00 O ATOM 933 CB LEU A 66 -3.041 -8.343 -1.594 1.00 0.00 C ATOM 934 CG LEU A 66 -2.179 -7.199 -2.129 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.686 -5.862 -1.611 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.721 -7.404 -1.743 1.00 0.00 C ATOM 0 H LEU A 66 -3.246 -9.171 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.771 -10.075 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.083 -8.127 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.956 -8.358 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.249 -7.195 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.061 -5.059 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.715 -5.712 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.646 -5.855 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.122 -6.580 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.633 -7.435 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.362 -8.344 -2.163 1.00 0.00 H new ATOM 948 N VAL A 67 -4.771 -10.907 -2.630 1.00 0.00 N ATOM 949 CA VAL A 67 -5.880 -11.821 -2.382 1.00 0.00 C ATOM 950 C VAL A 67 -5.413 -13.058 -1.624 1.00 0.00 C ATOM 951 O VAL A 67 -4.546 -13.795 -2.091 1.00 0.00 O ATOM 952 CB VAL A 67 -6.550 -12.261 -3.697 1.00 0.00 C ATOM 953 CG1 VAL A 67 -5.502 -12.523 -4.769 1.00 0.00 C ATOM 954 CG2 VAL A 67 -7.411 -13.493 -3.469 1.00 0.00 C ATOM 0 H VAL A 67 -4.806 -10.438 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.607 -11.280 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.195 -11.454 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.994 -12.833 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.932 -11.612 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.829 -13.312 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.877 -13.790 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.789 -14.308 -3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.185 -13.265 -2.736 1.00 0.00 H new ATOM 964 N GLY A 68 -5.994 -13.280 -0.449 1.00 0.00 N ATOM 965 CA GLY A 68 -5.625 -14.429 0.356 1.00 0.00 C ATOM 966 C GLY A 68 -4.649 -14.075 1.460 1.00 0.00 C ATOM 967 O GLY A 68 -4.774 -14.554 2.588 1.00 0.00 O ATOM 0 H GLY A 68 -6.714 -12.684 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.523 -14.864 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.182 -15.191 -0.286 1.00 0.00 H new ATOM 971 N LEU A 69 -3.672 -13.234 1.137 1.00 0.00 N ATOM 972 CA LEU A 69 -2.669 -12.816 2.109 1.00 0.00 C ATOM 973 C LEU A 69 -3.323 -12.149 3.315 1.00 0.00 C ATOM 974 O LEU A 69 -4.295 -11.404 3.191 1.00 0.00 O ATOM 975 CB LEU A 69 -1.670 -11.856 1.461 1.00 0.00 C ATOM 976 CG LEU A 69 -0.702 -12.475 0.451 1.00 0.00 C ATOM 977 CD1 LEU A 69 0.296 -11.437 -0.037 1.00 0.00 C ATOM 978 CD2 LEU A 69 0.020 -13.665 1.066 1.00 0.00 C ATOM 0 H LEU A 69 -3.554 -12.828 0.209 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.139 -13.705 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.229 -11.065 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.086 -11.383 2.251 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.276 -12.827 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.976 -11.896 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.238 -10.616 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.866 -11.054 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.705 -14.093 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.582 -13.337 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.709 -14.418 1.365 1.00 0.00 H new ATOM 990 N PRO A 70 -2.778 -12.420 4.510 1.00 0.00 N ATOM 991 CA PRO A 70 -3.291 -11.854 5.761 1.00 0.00 C ATOM 992 C PRO A 70 -3.027 -10.356 5.871 1.00 0.00 C ATOM 993 O PRO A 70 -2.139 -9.822 5.206 1.00 0.00 O ATOM 994 CB PRO A 70 -2.515 -12.614 6.839 1.00 0.00 C ATOM 995 CG PRO A 70 -1.255 -13.042 6.168 1.00 0.00 C ATOM 996 CD PRO A 70 -1.618 -13.300 4.732 1.00 0.00 C ATOM 0 HA PRO A 70 -4.373 -11.958 5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.309 -11.979 7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.080 -13.472 7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.490 -12.269 6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.849 -13.939 6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.795 -13.057 4.060 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.870 -14.347 4.563 1.00 0.00 H new ATOM 1004 N LEU A 71 -3.802 -9.684 6.714 1.00 0.00 N ATOM 1005 CA LEU A 71 -3.652 -8.246 6.912 1.00 0.00 C ATOM 1006 C LEU A 71 -2.238 -7.905 7.371 1.00 0.00 C ATOM 1007 O LEU A 71 -1.655 -6.913 6.934 1.00 0.00 O ATOM 1008 CB LEU A 71 -4.669 -7.743 7.937 1.00 0.00 C ATOM 1009 CG LEU A 71 -4.671 -6.236 8.197 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.042 -5.477 6.933 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -5.629 -5.892 9.328 1.00 0.00 C ATOM 0 H LEU A 71 -4.541 -10.111 7.272 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.834 -7.752 5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.665 -8.035 7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.486 -8.254 8.882 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.666 -5.936 8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.038 -4.406 7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.318 -5.699 6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.036 -5.780 6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.618 -4.816 9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.637 -6.206 9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.319 -6.408 10.237 1.00 0.00 H new ATOM 1023 N SER A 72 -1.691 -8.735 8.253 1.00 0.00 N ATOM 1024 CA SER A 72 -0.346 -8.521 8.773 1.00 0.00 C ATOM 1025 C SER A 72 0.685 -8.568 7.649 1.00 0.00 C ATOM 1026 O SER A 72 1.584 -7.730 7.579 1.00 0.00 O ATOM 1027 CB SER A 72 -0.012 -9.573 9.832 1.00 0.00 C ATOM 1028 OG SER A 72 -0.529 -9.204 11.099 1.00 0.00 O ATOM 0 H SER A 72 -2.159 -9.562 8.623 1.00 0.00 H new ATOM 0 HA SER A 72 -0.313 -7.532 9.231 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.425 -10.537 9.534 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.069 -9.696 9.899 1.00 0.00 H new ATOM 0 HG SER A 72 -0.303 -9.894 11.758 1.00 0.00 H new ATOM 1034 N THR A 73 0.547 -9.556 6.770 1.00 0.00 N ATOM 1035 CA THR A 73 1.466 -9.716 5.650 1.00 0.00 C ATOM 1036 C THR A 73 1.341 -8.557 4.667 1.00 0.00 C ATOM 1037 O THR A 73 2.307 -7.835 4.419 1.00 0.00 O ATOM 1038 CB THR A 73 1.215 -11.039 4.902 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.658 -12.144 5.697 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.937 -11.049 3.563 1.00 0.00 C ATOM 0 H THR A 73 -0.192 -10.257 6.812 1.00 0.00 H new ATOM 0 HA THR A 73 2.473 -9.729 6.066 1.00 0.00 H new ATOM 0 HB THR A 73 0.144 -11.130 4.720 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.493 -12.981 5.215 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.745 -11.993 3.053 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.575 -10.225 2.948 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.009 -10.937 3.727 1.00 0.00 H new ATOM 1048 N CYS A 74 0.147 -8.385 4.112 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.105 -7.313 3.156 1.00 0.00 C ATOM 1050 C CYS A 74 0.495 -5.998 3.643 1.00 0.00 C ATOM 1051 O CYS A 74 1.081 -5.246 2.865 1.00 0.00 O ATOM 1052 CB CYS A 74 -1.607 -7.148 2.926 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.453 -8.673 2.447 1.00 0.00 S ATOM 0 H CYS A 74 -0.662 -8.974 4.308 1.00 0.00 H new ATOM 0 HA CYS A 74 0.371 -7.582 2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.063 -6.763 3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.765 -6.399 2.150 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.527 -9.469 3.472 1.00 0.00 H new ATOM 1059 N GLN A 75 0.342 -5.727 4.935 1.00 0.00 N ATOM 1060 CA GLN A 75 0.867 -4.501 5.525 1.00 0.00 C ATOM 1061 C GLN A 75 2.369 -4.383 5.289 1.00 0.00 C ATOM 1062 O GLN A 75 2.860 -3.337 4.865 1.00 0.00 O ATOM 1063 CB GLN A 75 0.570 -4.464 7.025 1.00 0.00 C ATOM 1064 CG GLN A 75 -0.847 -4.023 7.354 1.00 0.00 C ATOM 1065 CD GLN A 75 -1.135 -4.048 8.843 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -0.511 -4.796 9.595 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.085 -3.226 9.275 1.00 0.00 N ATOM 0 H GLN A 75 -0.141 -6.339 5.593 1.00 0.00 H new ATOM 0 HA GLN A 75 0.375 -3.656 5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.740 -5.455 7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.274 -3.788 7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.007 -3.014 6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.555 -4.673 6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.577 -2.623 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.323 -3.198 10.266 1.00 0.00 H new ATOM 1076 N SER A 76 3.094 -5.462 5.568 1.00 0.00 N ATOM 1077 CA SER A 76 4.541 -5.478 5.390 1.00 0.00 C ATOM 1078 C SER A 76 4.917 -5.085 3.964 1.00 0.00 C ATOM 1079 O SER A 76 5.827 -4.283 3.750 1.00 0.00 O ATOM 1080 CB SER A 76 5.101 -6.864 5.714 1.00 0.00 C ATOM 1081 OG SER A 76 6.424 -6.776 6.213 1.00 0.00 O ATOM 0 H SER A 76 2.703 -6.336 5.918 1.00 0.00 H new ATOM 0 HA SER A 76 4.975 -4.750 6.076 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.463 -7.354 6.450 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.088 -7.484 4.817 1.00 0.00 H new ATOM 0 HG SER A 76 6.758 -7.675 6.414 1.00 0.00 H new ATOM 1087 N ILE A 77 4.211 -5.656 2.994 1.00 0.00 N ATOM 1088 CA ILE A 77 4.469 -5.365 1.590 1.00 0.00 C ATOM 1089 C ILE A 77 4.161 -3.908 1.264 1.00 0.00 C ATOM 1090 O ILE A 77 4.638 -3.370 0.264 1.00 0.00 O ATOM 1091 CB ILE A 77 3.638 -6.273 0.665 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.903 -7.745 0.987 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.958 -5.979 -0.794 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.787 -8.669 0.553 1.00 0.00 C ATOM 0 H ILE A 77 3.456 -6.323 3.155 1.00 0.00 H new ATOM 0 HA ILE A 77 5.528 -5.557 1.418 1.00 0.00 H new ATOM 0 HB ILE A 77 2.581 -6.068 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.829 -8.054 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.055 -7.852 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.363 -6.629 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.724 -4.938 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.017 -6.160 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.043 -9.696 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.863 -8.386 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.649 -8.591 -0.525 1.00 0.00 H new ATOM 1106 N ILE A 78 3.361 -3.274 2.115 1.00 0.00 N ATOM 1107 CA ILE A 78 2.991 -1.877 1.919 1.00 0.00 C ATOM 1108 C ILE A 78 3.898 -0.951 2.720 1.00 0.00 C ATOM 1109 O ILE A 78 4.094 0.210 2.359 1.00 0.00 O ATOM 1110 CB ILE A 78 1.527 -1.621 2.324 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.582 -2.459 1.461 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.195 -0.141 2.200 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -0.744 -2.753 2.127 1.00 0.00 C ATOM 0 H ILE A 78 2.957 -3.705 2.946 1.00 0.00 H new ATOM 0 HA ILE A 78 3.108 -1.665 0.856 1.00 0.00 H new ATOM 0 HB ILE A 78 1.396 -1.917 3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.400 -1.935 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.070 -3.401 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.157 0.025 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.850 0.435 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.339 0.179 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.363 -3.351 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.572 -3.304 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.254 -1.816 2.352 1.00 0.00 H new ATOM 1125 N LYS A 79 4.453 -1.471 3.810 1.00 0.00 N ATOM 1126 CA LYS A 79 5.343 -0.693 4.663 1.00 0.00 C ATOM 1127 C LYS A 79 6.750 -0.642 4.077 1.00 0.00 C ATOM 1128 O LYS A 79 7.518 0.277 4.358 1.00 0.00 O ATOM 1129 CB LYS A 79 5.386 -1.291 6.070 1.00 0.00 C ATOM 1130 CG LYS A 79 6.487 -2.321 6.260 1.00 0.00 C ATOM 1131 CD LYS A 79 6.401 -2.983 7.625 1.00 0.00 C ATOM 1132 CE LYS A 79 7.663 -3.770 7.943 1.00 0.00 C ATOM 1133 NZ LYS A 79 8.872 -2.900 7.952 1.00 0.00 N ATOM 0 H LYS A 79 4.301 -2.430 4.123 1.00 0.00 H new ATOM 0 HA LYS A 79 4.955 0.324 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.523 -0.487 6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.424 -1.755 6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.415 -3.080 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.459 -1.841 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.243 -2.223 8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.539 -3.649 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.555 -4.252 8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.792 -4.563 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.609 -3.336 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.227 -2.789 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.625 -1.967 8.339 1.00 0.00 H new ATOM 1147 N GLY A 80 7.083 -1.636 3.259 1.00 0.00 N ATOM 1148 CA GLY A 80 8.397 -1.685 2.645 1.00 0.00 C ATOM 1149 C GLY A 80 8.518 -0.749 1.459 1.00 0.00 C ATOM 1150 O GLY A 80 9.490 -0.812 0.705 1.00 0.00 O ATOM 0 H GLY A 80 6.465 -2.409 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.151 -1.425 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.606 -2.705 2.322 1.00 0.00 H new ATOM 1154 N LEU A 81 7.528 0.120 1.290 1.00 0.00 N ATOM 1155 CA LEU A 81 7.526 1.073 0.185 1.00 0.00 C ATOM 1156 C LEU A 81 8.173 2.390 0.601 1.00 0.00 C ATOM 1157 O LEU A 81 8.373 3.283 -0.223 1.00 0.00 O ATOM 1158 CB LEU A 81 6.096 1.323 -0.297 1.00 0.00 C ATOM 1159 CG LEU A 81 5.211 0.084 -0.445 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.812 0.478 -0.891 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.830 -0.898 -1.429 1.00 0.00 C ATOM 0 H LEU A 81 6.716 0.185 1.904 1.00 0.00 H new ATOM 0 HA LEU A 81 8.108 0.646 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.614 2.008 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.142 1.829 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 81 5.136 -0.404 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.197 -0.416 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.368 1.143 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.867 0.990 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.187 -1.773 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.935 -0.420 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.811 -1.205 -1.068 1.00 0.00 H new ATOM 1173 N LYS A 82 8.499 2.504 1.883 1.00 0.00 N ATOM 1174 CA LYS A 82 9.127 3.711 2.409 1.00 0.00 C ATOM 1175 C LYS A 82 10.466 3.969 1.727 1.00 0.00 C ATOM 1176 O LYS A 82 10.860 5.118 1.527 1.00 0.00 O ATOM 1177 CB LYS A 82 9.329 3.587 3.921 1.00 0.00 C ATOM 1178 CG LYS A 82 10.215 4.673 4.507 1.00 0.00 C ATOM 1179 CD LYS A 82 10.794 4.257 5.849 1.00 0.00 C ATOM 1180 CE LYS A 82 9.884 4.660 6.998 1.00 0.00 C ATOM 1181 NZ LYS A 82 10.542 4.470 8.320 1.00 0.00 N ATOM 0 H LYS A 82 8.339 1.775 2.578 1.00 0.00 H new ATOM 0 HA LYS A 82 8.466 4.553 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.357 3.618 4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.767 2.614 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.026 4.896 3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.637 5.589 4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.943 3.177 5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.774 4.716 5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.595 5.705 6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.968 4.070 6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.889 4.756 9.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.795 3.469 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.402 5.053 8.367 1.00 0.00 H new ATOM 1195 N ASN A 83 11.161 2.894 1.370 1.00 0.00 N ATOM 1196 CA ASN A 83 12.456 3.005 0.708 1.00 0.00 C ATOM 1197 C ASN A 83 12.284 3.318 -0.775 1.00 0.00 C ATOM 1198 O ASN A 83 13.256 3.348 -1.529 1.00 0.00 O ATOM 1199 CB ASN A 83 13.252 1.710 0.879 1.00 0.00 C ATOM 1200 CG ASN A 83 12.515 0.502 0.334 1.00 0.00 C ATOM 1201 OD1 ASN A 83 12.161 0.456 -0.844 1.00 0.00 O ATOM 1202 ND2 ASN A 83 12.280 -0.484 1.193 1.00 0.00 N ATOM 0 H ASN A 83 10.849 1.936 1.528 1.00 0.00 H new ATOM 0 HA ASN A 83 13.004 3.825 1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.211 1.807 0.371 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.466 1.555 1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.788 -1.322 0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 83 12.592 -0.403 2.161 1.00 0.00 H new ATOM 1209 N GLN A 84 11.041 3.550 -1.185 1.00 0.00 N ATOM 1210 CA GLN A 84 10.742 3.860 -2.578 1.00 0.00 C ATOM 1211 C GLN A 84 9.761 5.024 -2.678 1.00 0.00 C ATOM 1212 O GLN A 84 8.812 5.117 -1.900 1.00 0.00 O ATOM 1213 CB GLN A 84 10.166 2.631 -3.284 1.00 0.00 C ATOM 1214 CG GLN A 84 9.285 1.773 -2.390 1.00 0.00 C ATOM 1215 CD GLN A 84 8.940 0.438 -3.020 1.00 0.00 C ATOM 1216 OE1 GLN A 84 8.788 -0.568 -2.326 1.00 0.00 O ATOM 1217 NE2 GLN A 84 8.814 0.421 -4.342 1.00 0.00 N ATOM 0 H GLN A 84 10.225 3.529 -0.573 1.00 0.00 H new ATOM 0 HA GLN A 84 11.672 4.149 -3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.586 2.957 -4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.987 2.022 -3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.794 1.602 -1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.365 2.313 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.949 1.278 -4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.583 -0.449 -4.821 1.00 0.00 H new ATOM 1226 N SER A 85 9.998 5.910 -3.640 1.00 0.00 N ATOM 1227 CA SER A 85 9.139 7.071 -3.840 1.00 0.00 C ATOM 1228 C SER A 85 7.922 6.707 -4.685 1.00 0.00 C ATOM 1229 O SER A 85 6.781 6.841 -4.241 1.00 0.00 O ATOM 1230 CB SER A 85 9.920 8.202 -4.511 1.00 0.00 C ATOM 1231 OG SER A 85 10.837 7.692 -5.464 1.00 0.00 O ATOM 0 H SER A 85 10.778 5.846 -4.294 1.00 0.00 H new ATOM 0 HA SER A 85 8.794 7.409 -2.863 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.227 8.887 -4.999 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.457 8.776 -3.756 1.00 0.00 H new ATOM 0 HG SER A 85 11.323 8.434 -5.880 1.00 0.00 H new ATOM 1237 N ARG A 86 8.174 6.246 -5.906 1.00 0.00 N ATOM 1238 CA ARG A 86 7.100 5.863 -6.815 1.00 0.00 C ATOM 1239 C ARG A 86 6.710 4.402 -6.611 1.00 0.00 C ATOM 1240 O ARG A 86 7.569 3.526 -6.522 1.00 0.00 O ATOM 1241 CB ARG A 86 7.527 6.091 -8.266 1.00 0.00 C ATOM 1242 CG ARG A 86 6.371 6.424 -9.195 1.00 0.00 C ATOM 1243 CD ARG A 86 6.703 6.088 -10.641 1.00 0.00 C ATOM 1244 NE ARG A 86 7.364 7.198 -11.323 1.00 0.00 N ATOM 1245 CZ ARG A 86 8.672 7.422 -11.265 1.00 0.00 C ATOM 1246 NH1 ARG A 86 9.455 6.617 -10.561 1.00 0.00 N ATOM 1247 NH2 ARG A 86 9.198 8.453 -11.913 1.00 0.00 N ATOM 0 H ARG A 86 9.112 6.129 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 86 6.233 6.486 -6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.254 6.902 -8.299 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.031 5.197 -8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.484 5.871 -8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.130 7.484 -9.113 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.347 5.209 -10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.787 5.830 -11.173 1.00 0.00 H new ATOM 0 HE ARG A 86 6.790 7.836 -11.874 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.053 5.823 -10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.459 6.791 -10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.598 9.074 -12.456 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.202 8.625 -11.868 1.00 0.00 H new ATOM 1261 N VAL A 87 5.407 4.148 -6.538 1.00 0.00 N ATOM 1262 CA VAL A 87 4.902 2.794 -6.345 1.00 0.00 C ATOM 1263 C VAL A 87 3.595 2.582 -7.101 1.00 0.00 C ATOM 1264 O VAL A 87 2.711 3.438 -7.087 1.00 0.00 O ATOM 1265 CB VAL A 87 4.675 2.486 -4.853 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.137 1.075 -4.674 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.964 2.678 -4.068 1.00 0.00 C ATOM 0 H VAL A 87 4.682 4.862 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 87 5.660 2.115 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 87 3.932 3.183 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.983 0.876 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.189 0.977 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.853 0.359 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.786 2.456 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.730 2.006 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.301 3.709 -4.169 1.00 0.00 H new ATOM 1277 N LYS A 88 3.479 1.434 -7.760 1.00 0.00 N ATOM 1278 CA LYS A 88 2.279 1.106 -8.521 1.00 0.00 C ATOM 1279 C LYS A 88 1.416 0.099 -7.768 1.00 0.00 C ATOM 1280 O LYS A 88 1.902 -0.942 -7.325 1.00 0.00 O ATOM 1281 CB LYS A 88 2.658 0.545 -9.893 1.00 0.00 C ATOM 1282 CG LYS A 88 1.479 -0.016 -10.668 1.00 0.00 C ATOM 1283 CD LYS A 88 1.918 -0.624 -11.990 1.00 0.00 C ATOM 1284 CE LYS A 88 0.921 -1.661 -12.484 1.00 0.00 C ATOM 1285 NZ LYS A 88 0.923 -1.768 -13.969 1.00 0.00 N ATOM 0 H LYS A 88 4.202 0.715 -7.782 1.00 0.00 H new ATOM 0 HA LYS A 88 1.703 2.021 -8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.127 1.334 -10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.403 -0.240 -9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.975 -0.774 -10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.754 0.777 -10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.026 0.163 -12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.898 -1.087 -11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.161 -2.631 -12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.079 -1.396 -12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.231 -2.485 -14.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.669 -0.849 -14.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.871 -2.045 -14.296 1.00 0.00 H new ATOM 1299 N LEU A 89 0.133 0.414 -7.629 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.799 -0.465 -6.931 1.00 0.00 C ATOM 1301 C LEU A 89 -2.162 -0.468 -7.617 1.00 0.00 C ATOM 1302 O LEU A 89 -2.627 0.563 -8.099 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.951 -0.026 -5.474 1.00 0.00 C ATOM 1304 CG LEU A 89 0.262 0.668 -4.852 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.173 1.598 -3.730 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.260 -0.360 -4.339 1.00 0.00 C ATOM 0 H LEU A 89 -0.286 1.271 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.396 -1.477 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.805 0.648 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.189 -0.904 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 89 0.750 1.265 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.703 2.083 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.849 2.356 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.685 1.023 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.116 0.152 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.783 -0.984 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.596 -0.985 -5.166 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.796 -1.635 -7.655 1.00 0.00 N ATOM 1319 CA ASN A 90 -4.107 -1.773 -8.281 1.00 0.00 C ATOM 1320 C ASN A 90 -5.221 -1.608 -7.252 1.00 0.00 C ATOM 1321 O ASN A 90 -5.284 -2.345 -6.267 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.227 -3.136 -8.966 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.210 -3.117 -10.121 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -6.209 -2.246 -10.034 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -5.072 -3.877 -11.080 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.424 -2.499 -7.260 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.209 -0.988 -9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.247 -3.444 -9.331 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.543 -3.880 -8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.289 -4.530 -11.105 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.741 -3.853 -11.850 1.00 0.00 H new ATOM 1332 N ILE A 91 -6.097 -0.637 -7.487 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.210 -0.377 -6.582 1.00 0.00 C ATOM 1334 C ILE A 91 -8.543 -0.729 -7.233 1.00 0.00 C ATOM 1335 O ILE A 91 -8.714 -0.578 -8.443 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.242 1.098 -6.139 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.907 1.491 -5.502 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.388 1.334 -5.166 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.685 0.879 -4.137 1.00 0.00 C ATOM 0 H ILE A 91 -6.058 -0.017 -8.296 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.058 -1.008 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.402 1.722 -7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.095 1.188 -6.163 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.860 2.577 -5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.398 2.381 -4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.333 1.088 -5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.255 0.702 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.720 1.201 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.476 1.202 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.699 -0.208 -4.219 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.486 -1.199 -6.423 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.805 -1.570 -6.919 1.00 0.00 C ATOM 1353 C VAL A 92 -11.886 -1.264 -5.888 1.00 0.00 C ATOM 1354 O VAL A 92 -11.981 -1.929 -4.857 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.867 -3.065 -7.284 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.283 -3.461 -7.674 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.888 -3.381 -8.404 1.00 0.00 C ATOM 0 H VAL A 92 -9.360 -1.332 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.984 -0.977 -7.816 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.581 -3.647 -6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.307 -4.521 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.957 -3.273 -6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.601 -2.873 -8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.945 -4.442 -8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.140 -2.791 -9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.876 -3.137 -8.082 1.00 0.00 H new ATOM 1367 N SER A 93 -12.700 -0.253 -6.175 1.00 0.00 N ATOM 1368 CA SER A 93 -13.774 0.143 -5.271 1.00 0.00 C ATOM 1369 C SER A 93 -14.458 -1.080 -4.670 1.00 0.00 C ATOM 1370 O SER A 93 -14.887 -1.982 -5.390 1.00 0.00 O ATOM 1371 CB SER A 93 -14.800 1.004 -6.011 1.00 0.00 C ATOM 1372 OG SER A 93 -15.774 0.198 -6.652 1.00 0.00 O ATOM 0 H SER A 93 -12.636 0.306 -7.026 1.00 0.00 H new ATOM 0 HA SER A 93 -13.337 0.727 -4.461 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.288 1.679 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.293 1.625 -6.750 1.00 0.00 H new ATOM 0 HG SER A 93 -15.561 -0.748 -6.509 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.557 -1.104 -3.344 1.00 0.00 N ATOM 1379 CA GLY A 94 -15.190 -2.221 -2.668 1.00 0.00 C ATOM 1380 C GLY A 94 -16.577 -2.513 -3.203 1.00 0.00 C ATOM 1381 O GLY A 94 -16.998 -1.971 -4.225 1.00 0.00 O ATOM 0 H GLY A 94 -14.210 -0.370 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.567 -3.109 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.253 -2.007 -1.601 1.00 0.00 H new ATOM 1385 N PRO A 95 -17.313 -3.390 -2.504 1.00 0.00 N ATOM 1386 CA PRO A 95 -18.672 -3.773 -2.898 1.00 0.00 C ATOM 1387 C PRO A 95 -19.672 -2.637 -2.711 1.00 0.00 C ATOM 1388 O PRO A 95 -20.030 -2.291 -1.585 1.00 0.00 O ATOM 1389 CB PRO A 95 -19.000 -4.934 -1.955 1.00 0.00 C ATOM 1390 CG PRO A 95 -18.138 -4.708 -0.761 1.00 0.00 C ATOM 1391 CD PRO A 95 -16.875 -4.075 -1.277 1.00 0.00 C ATOM 0 HA PRO A 95 -18.732 -4.033 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -20.056 -4.939 -1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.786 -5.896 -2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -18.633 -4.059 -0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.924 -5.647 -0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.452 -3.376 -0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.108 -4.821 -1.485 1.00 0.00 H new ATOM 1399 N SER A 96 -20.120 -2.060 -3.822 1.00 0.00 N ATOM 1400 CA SER A 96 -21.076 -0.961 -3.780 1.00 0.00 C ATOM 1401 C SER A 96 -22.046 -1.039 -4.955 1.00 0.00 C ATOM 1402 O SER A 96 -21.731 -1.615 -5.997 1.00 0.00 O ATOM 1403 CB SER A 96 -20.342 0.382 -3.799 1.00 0.00 C ATOM 1404 OG SER A 96 -21.204 1.439 -3.415 1.00 0.00 O ATOM 0 H SER A 96 -19.836 -2.336 -4.762 1.00 0.00 H new ATOM 0 HA SER A 96 -21.646 -1.043 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 96 -19.487 0.342 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.951 0.572 -4.798 1.00 0.00 H new ATOM 0 HG SER A 96 -20.711 2.286 -3.433 1.00 0.00 H new ATOM 1410 N SER A 97 -23.227 -0.455 -4.780 1.00 0.00 N ATOM 1411 CA SER A 97 -24.246 -0.462 -5.823 1.00 0.00 C ATOM 1412 C SER A 97 -24.502 0.950 -6.341 1.00 0.00 C ATOM 1413 O SER A 97 -24.120 1.934 -5.709 1.00 0.00 O ATOM 1414 CB SER A 97 -25.547 -1.067 -5.291 1.00 0.00 C ATOM 1415 OG SER A 97 -26.052 -0.313 -4.203 1.00 0.00 O ATOM 0 H SER A 97 -23.502 0.029 -3.925 1.00 0.00 H new ATOM 0 HA SER A 97 -23.882 -1.073 -6.649 1.00 0.00 H new ATOM 0 HB2 SER A 97 -26.289 -1.102 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 97 -25.371 -2.095 -4.975 1.00 0.00 H new ATOM 0 HG SER A 97 -26.884 -0.719 -3.882 1.00 0.00 H new ATOM 1421 N GLY A 98 -25.153 1.041 -7.497 1.00 0.00 N ATOM 1422 CA GLY A 98 -25.450 2.335 -8.081 1.00 0.00 C ATOM 1423 C GLY A 98 -25.741 2.248 -9.566 1.00 0.00 C ATOM 1424 O GLY A 98 -25.422 3.165 -10.323 1.00 0.00 O ATOM 0 H GLY A 98 -25.480 0.241 -8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -26.308 2.772 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -24.607 3.006 -7.918 1.00 0.00 H new TER 1428 GLY A 98