USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 857 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 72 ASN : amide:sc= -0.045 X(o=-0.055,f=-0.0097) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= -0.0097 USER MOD Set 2.1: A 45 HIS : no HE2:sc= -1.75 K(o=-1.7,f=-5.6!) USER MOD Set 2.2: A 81 HIS : no HD1:sc= 0 X(o=-1.7,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 9:sc= 1.19 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -170:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -0.587 K(o=-0.59,f=-1.8) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -160:sc= -0.175 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 42 THR OG1 : rot -130:sc= -0.0866 USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0471) USER MOD Single : A 54 SER OG : rot -80:sc= 1.12 USER MOD Single : A 59 CYS SG : rot 84:sc= 0.175 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0.0217 (180deg=-0.007) USER MOD Single : A 74 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl 157:sc= -0.746 (180deg=-2.47!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -165:sc= -0.0243 (180deg=-0.231) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0962 K(o=-0.096,f=-0.89) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0347 USER MOD Single : A 109 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 10:sc= 0.933 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.467 -24.244 -23.163 1.00 0.00 N ATOM 2 CA GLY A 1 0.041 -23.903 -23.100 1.00 0.00 C ATOM 3 C GLY A 1 -0.781 -24.982 -23.780 1.00 0.00 C ATOM 4 O GLY A 1 -0.500 -25.307 -24.937 1.00 0.00 O ATOM 0 H1 GLY A 1 2.023 -23.500 -22.695 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.629 -25.151 -22.681 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.762 -24.323 -24.157 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.271 -23.798 -22.061 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.133 -22.942 -23.584 1.00 0.00 H new ATOM 8 N SER A 2 -1.770 -25.549 -23.088 1.00 0.00 N ATOM 9 CA SER A 2 -2.715 -26.512 -23.638 1.00 0.00 C ATOM 10 C SER A 2 -4.066 -25.854 -23.876 1.00 0.00 C ATOM 11 O SER A 2 -4.471 -24.975 -23.112 1.00 0.00 O ATOM 12 CB SER A 2 -2.876 -27.703 -22.686 1.00 0.00 C ATOM 13 OG SER A 2 -1.845 -28.633 -22.934 1.00 0.00 O ATOM 0 H SER A 2 -1.937 -25.343 -22.103 1.00 0.00 H new ATOM 0 HA SER A 2 -2.325 -26.870 -24.591 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.837 -27.365 -21.650 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.849 -28.172 -22.832 1.00 0.00 H new ATOM 0 HG SER A 2 -1.941 -29.397 -22.327 1.00 0.00 H new ATOM 19 N SER A 3 -4.784 -26.344 -24.887 1.00 0.00 N ATOM 20 CA SER A 3 -6.196 -26.065 -25.087 1.00 0.00 C ATOM 21 C SER A 3 -6.949 -26.373 -23.789 1.00 0.00 C ATOM 22 O SER A 3 -6.861 -27.473 -23.232 1.00 0.00 O ATOM 23 CB SER A 3 -6.703 -26.875 -26.274 1.00 0.00 C ATOM 24 OG SER A 3 -6.147 -26.342 -27.469 1.00 0.00 O ATOM 0 H SER A 3 -4.388 -26.957 -25.600 1.00 0.00 H new ATOM 0 HA SER A 3 -6.364 -25.014 -25.321 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.422 -27.922 -26.163 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.792 -26.840 -26.317 1.00 0.00 H new ATOM 0 HG SER A 3 -6.467 -26.859 -28.238 1.00 0.00 H new ATOM 30 N GLY A 4 -7.620 -25.351 -23.279 1.00 0.00 N ATOM 31 CA GLY A 4 -7.960 -25.150 -21.886 1.00 0.00 C ATOM 32 C GLY A 4 -8.017 -23.640 -21.663 1.00 0.00 C ATOM 33 O GLY A 4 -7.784 -22.870 -22.603 1.00 0.00 O ATOM 0 H GLY A 4 -7.962 -24.593 -23.869 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.918 -25.613 -21.651 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.216 -25.610 -21.236 1.00 0.00 H new ATOM 37 N SER A 5 -8.360 -23.212 -20.456 1.00 0.00 N ATOM 38 CA SER A 5 -8.941 -21.893 -20.243 1.00 0.00 C ATOM 39 C SER A 5 -8.031 -20.947 -19.461 1.00 0.00 C ATOM 40 O SER A 5 -6.961 -21.334 -18.986 1.00 0.00 O ATOM 41 CB SER A 5 -10.278 -22.113 -19.544 1.00 0.00 C ATOM 42 OG SER A 5 -11.133 -22.827 -20.409 1.00 0.00 O ATOM 0 H SER A 5 -8.245 -23.762 -19.605 1.00 0.00 H new ATOM 0 HA SER A 5 -9.078 -21.392 -21.202 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.132 -22.667 -18.617 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.726 -21.156 -19.277 1.00 0.00 H new ATOM 0 HG SER A 5 -11.995 -22.975 -19.968 1.00 0.00 H new ATOM 48 N SER A 6 -8.470 -19.696 -19.323 1.00 0.00 N ATOM 49 CA SER A 6 -7.776 -18.624 -18.626 1.00 0.00 C ATOM 50 C SER A 6 -8.797 -17.943 -17.716 1.00 0.00 C ATOM 51 O SER A 6 -9.391 -16.935 -18.108 1.00 0.00 O ATOM 52 CB SER A 6 -7.192 -17.646 -19.656 1.00 0.00 C ATOM 53 OG SER A 6 -6.344 -18.316 -20.567 1.00 0.00 O ATOM 0 H SER A 6 -9.362 -19.393 -19.714 1.00 0.00 H new ATOM 0 HA SER A 6 -6.947 -18.999 -18.026 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.001 -17.158 -20.199 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.634 -16.863 -19.143 1.00 0.00 H new ATOM 0 HG SER A 6 -5.986 -17.673 -21.214 1.00 0.00 H new ATOM 59 N GLY A 7 -9.070 -18.537 -16.553 1.00 0.00 N ATOM 60 CA GLY A 7 -10.156 -18.085 -15.700 1.00 0.00 C ATOM 61 C GLY A 7 -10.144 -18.803 -14.364 1.00 0.00 C ATOM 62 O GLY A 7 -10.709 -19.889 -14.236 1.00 0.00 O ATOM 0 H GLY A 7 -8.549 -19.333 -16.185 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.071 -17.010 -15.538 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.109 -18.258 -16.199 1.00 0.00 H new ATOM 66 N SER A 8 -9.456 -18.237 -13.375 1.00 0.00 N ATOM 67 CA SER A 8 -9.524 -18.579 -11.957 1.00 0.00 C ATOM 68 C SER A 8 -8.912 -17.407 -11.175 1.00 0.00 C ATOM 69 O SER A 8 -8.096 -16.663 -11.735 1.00 0.00 O ATOM 70 CB SER A 8 -8.724 -19.862 -11.675 1.00 0.00 C ATOM 71 OG SER A 8 -9.370 -20.992 -12.228 1.00 0.00 O ATOM 0 H SER A 8 -8.795 -17.481 -13.554 1.00 0.00 H new ATOM 0 HA SER A 8 -10.558 -18.754 -11.659 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.722 -19.770 -12.094 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.609 -19.994 -10.599 1.00 0.00 H new ATOM 0 HG SER A 8 -10.116 -20.699 -12.792 1.00 0.00 H new ATOM 77 N LEU A 9 -9.252 -17.290 -9.884 1.00 0.00 N ATOM 78 CA LEU A 9 -8.717 -16.308 -8.929 1.00 0.00 C ATOM 79 C LEU A 9 -8.739 -14.888 -9.516 1.00 0.00 C ATOM 80 O LEU A 9 -7.726 -14.182 -9.527 1.00 0.00 O ATOM 81 CB LEU A 9 -7.328 -16.759 -8.413 1.00 0.00 C ATOM 82 CG LEU A 9 -7.378 -17.712 -7.203 1.00 0.00 C ATOM 83 CD1 LEU A 9 -8.137 -19.015 -7.477 1.00 0.00 C ATOM 84 CD2 LEU A 9 -5.950 -18.051 -6.762 1.00 0.00 C ATOM 0 H LEU A 9 -9.941 -17.908 -9.456 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.366 -16.264 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.794 -17.251 -9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.750 -15.876 -8.141 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.922 -17.186 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.131 -19.635 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.166 -18.785 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.655 -19.552 -8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.984 -18.725 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.420 -18.534 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.429 -17.136 -6.482 1.00 0.00 H new ATOM 96 N GLN A 10 -9.903 -14.469 -10.017 1.00 0.00 N ATOM 97 CA GLN A 10 -10.120 -13.116 -10.500 1.00 0.00 C ATOM 98 C GLN A 10 -9.972 -12.143 -9.327 1.00 0.00 C ATOM 99 O GLN A 10 -10.537 -12.369 -8.252 1.00 0.00 O ATOM 100 CB GLN A 10 -11.509 -13.019 -11.149 1.00 0.00 C ATOM 101 CG GLN A 10 -11.719 -11.664 -11.840 1.00 0.00 C ATOM 102 CD GLN A 10 -13.115 -11.561 -12.439 1.00 0.00 C ATOM 103 OE1 GLN A 10 -13.992 -10.906 -11.889 1.00 0.00 O ATOM 104 NE2 GLN A 10 -13.369 -12.185 -13.580 1.00 0.00 N ATOM 0 H GLN A 10 -10.724 -15.069 -10.097 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.382 -12.855 -11.258 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.627 -13.821 -11.877 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.277 -13.163 -10.389 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.569 -10.859 -11.121 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.973 -11.534 -12.624 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.638 -12.730 -14.037 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.296 -12.120 -14.001 1.00 0.00 H new ATOM 113 N THR A 11 -9.245 -11.052 -9.543 1.00 0.00 N ATOM 114 CA THR A 11 -8.993 -10.015 -8.552 1.00 0.00 C ATOM 115 C THR A 11 -9.666 -8.707 -8.987 1.00 0.00 C ATOM 116 O THR A 11 -10.147 -8.595 -10.122 1.00 0.00 O ATOM 117 CB THR A 11 -7.476 -9.900 -8.321 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.749 -9.747 -9.528 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.924 -11.151 -7.631 1.00 0.00 C ATOM 0 H THR A 11 -8.801 -10.860 -10.441 1.00 0.00 H new ATOM 0 HA THR A 11 -9.436 -10.270 -7.589 1.00 0.00 H new ATOM 0 HB THR A 11 -7.349 -9.015 -7.698 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.790 -9.837 -9.346 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.850 -11.040 -7.481 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.413 -11.280 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.115 -12.025 -8.254 1.00 0.00 H new ATOM 127 N SER A 12 -9.713 -7.716 -8.100 1.00 0.00 N ATOM 128 CA SER A 12 -9.967 -6.330 -8.468 1.00 0.00 C ATOM 129 C SER A 12 -8.665 -5.578 -8.229 1.00 0.00 C ATOM 130 O SER A 12 -7.883 -6.000 -7.384 1.00 0.00 O ATOM 131 CB SER A 12 -11.093 -5.765 -7.601 1.00 0.00 C ATOM 132 OG SER A 12 -12.351 -6.316 -7.941 1.00 0.00 O ATOM 0 H SER A 12 -9.575 -7.856 -7.099 1.00 0.00 H new ATOM 0 HA SER A 12 -10.279 -6.236 -9.508 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.880 -5.969 -6.552 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.129 -4.682 -7.714 1.00 0.00 H new ATOM 0 HG SER A 12 -13.043 -5.931 -7.364 1.00 0.00 H new ATOM 138 N ASP A 13 -8.415 -4.484 -8.941 1.00 0.00 N ATOM 139 CA ASP A 13 -7.273 -3.585 -8.747 1.00 0.00 C ATOM 140 C ASP A 13 -7.883 -2.219 -8.499 1.00 0.00 C ATOM 141 O ASP A 13 -8.576 -1.702 -9.376 1.00 0.00 O ATOM 142 CB ASP A 13 -6.329 -3.539 -9.970 1.00 0.00 C ATOM 143 CG ASP A 13 -5.200 -4.573 -9.925 1.00 0.00 C ATOM 144 OD1 ASP A 13 -4.589 -4.767 -8.850 1.00 0.00 O ATOM 145 OD2 ASP A 13 -4.938 -5.259 -10.935 1.00 0.00 O ATOM 0 H ASP A 13 -9.025 -4.184 -9.701 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.652 -3.930 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.916 -3.696 -10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.893 -2.543 -10.042 1.00 0.00 H new ATOM 150 N VAL A 14 -7.697 -1.651 -7.306 1.00 0.00 N ATOM 151 CA VAL A 14 -8.346 -0.414 -6.889 1.00 0.00 C ATOM 152 C VAL A 14 -7.299 0.678 -6.756 1.00 0.00 C ATOM 153 O VAL A 14 -6.610 0.742 -5.739 1.00 0.00 O ATOM 154 CB VAL A 14 -9.148 -0.611 -5.580 1.00 0.00 C ATOM 155 CG1 VAL A 14 -10.066 0.609 -5.398 1.00 0.00 C ATOM 156 CG2 VAL A 14 -10.027 -1.871 -5.620 1.00 0.00 C ATOM 0 H VAL A 14 -7.082 -2.046 -6.595 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.068 -0.113 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.439 -0.721 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.644 0.496 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.461 1.514 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.745 0.684 -6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.570 -1.966 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.738 -1.793 -6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.398 -2.749 -5.766 1.00 0.00 H new ATOM 166 N VAL A 15 -7.153 1.501 -7.792 1.00 0.00 N ATOM 167 CA VAL A 15 -6.344 2.701 -7.716 1.00 0.00 C ATOM 168 C VAL A 15 -7.116 3.782 -6.950 1.00 0.00 C ATOM 169 O VAL A 15 -8.332 3.910 -7.116 1.00 0.00 O ATOM 170 CB VAL A 15 -5.869 3.116 -9.120 1.00 0.00 C ATOM 171 CG1 VAL A 15 -6.960 3.805 -9.947 1.00 0.00 C ATOM 172 CG2 VAL A 15 -4.626 4.010 -9.039 1.00 0.00 C ATOM 0 H VAL A 15 -7.592 1.350 -8.700 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.429 2.523 -7.151 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.615 2.190 -9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.561 4.072 -10.925 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.804 3.127 -10.072 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.292 4.707 -9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.312 4.288 -10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.861 4.910 -8.470 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.820 3.468 -8.544 1.00 0.00 H new ATOM 182 N ILE A 16 -6.418 4.558 -6.119 1.00 0.00 N ATOM 183 CA ILE A 16 -6.920 5.730 -5.403 1.00 0.00 C ATOM 184 C ILE A 16 -5.826 6.797 -5.536 1.00 0.00 C ATOM 185 O ILE A 16 -4.638 6.478 -5.463 1.00 0.00 O ATOM 186 CB ILE A 16 -7.248 5.369 -3.930 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.365 4.297 -3.857 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.697 6.607 -3.121 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.415 3.543 -2.535 1.00 0.00 C ATOM 0 H ILE A 16 -5.435 4.375 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.856 6.105 -5.816 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.329 4.976 -3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.328 4.779 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.221 3.581 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.917 6.311 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.900 7.350 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.591 7.034 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.223 2.812 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.467 3.031 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.591 4.247 -1.721 1.00 0.00 H new ATOM 201 N HIS A 17 -6.224 8.054 -5.746 1.00 0.00 N ATOM 202 CA HIS A 17 -5.398 9.209 -6.088 1.00 0.00 C ATOM 203 C HIS A 17 -5.660 10.309 -5.047 1.00 0.00 C ATOM 204 O HIS A 17 -6.779 10.834 -4.996 1.00 0.00 O ATOM 205 CB HIS A 17 -5.763 9.697 -7.510 1.00 0.00 C ATOM 206 CG HIS A 17 -5.248 8.837 -8.642 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.454 9.264 -9.688 1.00 0.00 N ATOM 208 CD2 HIS A 17 -5.503 7.506 -8.840 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.188 8.195 -10.456 1.00 0.00 C ATOM 210 NE2 HIS A 17 -4.792 7.102 -9.973 1.00 0.00 N ATOM 0 H HIS A 17 -7.209 8.308 -5.675 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.340 8.947 -6.080 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.849 9.758 -7.587 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.377 10.708 -7.639 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -4.129 10.217 -9.848 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.139 6.881 -8.230 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.571 8.214 -11.342 1.00 0.00 H new ATOM 218 N ARG A 18 -4.676 10.667 -4.209 1.00 0.00 N ATOM 219 CA ARG A 18 -4.854 11.651 -3.124 1.00 0.00 C ATOM 220 C ARG A 18 -4.182 12.977 -3.465 1.00 0.00 C ATOM 221 O ARG A 18 -3.611 13.094 -4.548 1.00 0.00 O ATOM 222 CB ARG A 18 -4.353 11.076 -1.792 1.00 0.00 C ATOM 223 CG ARG A 18 -2.849 10.790 -1.782 1.00 0.00 C ATOM 224 CD ARG A 18 -2.346 10.321 -0.425 1.00 0.00 C ATOM 225 NE ARG A 18 -0.895 10.075 -0.464 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.171 9.527 0.513 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.784 8.976 1.555 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.150 9.533 0.422 1.00 0.00 N ATOM 0 H ARG A 18 -3.732 10.284 -4.262 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.919 11.857 -3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.588 11.777 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.892 10.154 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.624 10.030 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.310 11.692 -2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.572 11.072 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.867 9.409 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.400 10.348 -1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.803 8.974 1.605 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.236 8.555 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.603 9.954 -0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.714 9.117 1.163 1.00 0.00 H new ATOM 242 N LYS A 19 -4.237 13.977 -2.583 1.00 0.00 N ATOM 243 CA LYS A 19 -3.455 15.203 -2.727 1.00 0.00 C ATOM 244 C LYS A 19 -2.191 15.126 -1.877 1.00 0.00 C ATOM 245 O LYS A 19 -2.132 14.360 -0.914 1.00 0.00 O ATOM 246 CB LYS A 19 -4.257 16.457 -2.387 1.00 0.00 C ATOM 247 CG LYS A 19 -5.403 16.717 -3.371 1.00 0.00 C ATOM 248 CD LYS A 19 -6.727 16.089 -2.943 1.00 0.00 C ATOM 249 CE LYS A 19 -7.097 14.752 -3.596 1.00 0.00 C ATOM 250 NZ LYS A 19 -8.528 14.473 -3.387 1.00 0.00 N ATOM 0 H LYS A 19 -4.825 13.958 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.178 15.285 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.664 16.360 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.589 17.318 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.539 17.793 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.125 16.328 -4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.702 15.945 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.525 16.802 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.876 14.784 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.495 13.950 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.773 13.565 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.727 14.424 -2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.096 15.232 -3.814 1.00 0.00 H new ATOM 264 N GLU A 20 -1.205 15.967 -2.189 1.00 0.00 N ATOM 265 CA GLU A 20 0.060 16.070 -1.458 1.00 0.00 C ATOM 266 C GLU A 20 -0.141 16.560 -0.014 1.00 0.00 C ATOM 267 O GLU A 20 0.759 16.392 0.808 1.00 0.00 O ATOM 268 CB GLU A 20 0.984 17.056 -2.194 1.00 0.00 C ATOM 269 CG GLU A 20 1.940 16.491 -3.254 1.00 0.00 C ATOM 270 CD GLU A 20 3.415 16.651 -2.871 1.00 0.00 C ATOM 271 OE1 GLU A 20 3.966 17.781 -2.874 1.00 0.00 O ATOM 272 OE2 GLU A 20 4.052 15.630 -2.522 1.00 0.00 O ATOM 0 H GLU A 20 -1.264 16.612 -2.977 1.00 0.00 H new ATOM 0 HA GLU A 20 0.501 15.074 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.357 17.806 -2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.583 17.575 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.722 15.434 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.760 16.994 -4.204 1.00 0.00 H new ATOM 279 N ASN A 21 -1.269 17.203 0.314 1.00 0.00 N ATOM 280 CA ASN A 21 -1.531 17.671 1.679 1.00 0.00 C ATOM 281 C ASN A 21 -2.197 16.620 2.557 1.00 0.00 C ATOM 282 O ASN A 21 -2.227 16.798 3.770 1.00 0.00 O ATOM 283 CB ASN A 21 -2.434 18.910 1.695 1.00 0.00 C ATOM 284 CG ASN A 21 -1.651 20.179 1.542 1.00 0.00 C ATOM 285 OD1 ASN A 21 -1.248 20.526 0.436 1.00 0.00 O ATOM 286 ND2 ASN A 21 -1.456 20.900 2.618 1.00 0.00 N ATOM 0 H ASN A 21 -2.015 17.411 -0.349 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.544 17.905 2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.165 18.836 0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.992 18.939 2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.953 21.785 2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.807 20.576 3.519 1.00 0.00 H new ATOM 293 N GLU A 22 -2.778 15.566 1.985 1.00 0.00 N ATOM 294 CA GLU A 22 -3.590 14.615 2.735 1.00 0.00 C ATOM 295 C GLU A 22 -2.894 13.256 2.775 1.00 0.00 C ATOM 296 O GLU A 22 -1.776 13.083 2.275 1.00 0.00 O ATOM 297 CB GLU A 22 -5.039 14.567 2.206 1.00 0.00 C ATOM 298 CG GLU A 22 -5.115 14.101 0.747 1.00 0.00 C ATOM 299 CD GLU A 22 -6.521 13.783 0.213 1.00 0.00 C ATOM 300 OE1 GLU A 22 -7.537 13.844 0.942 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.582 13.477 -1.000 1.00 0.00 O ATOM 0 H GLU A 22 -2.698 15.350 0.991 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.682 14.949 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.628 13.895 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.487 15.557 2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.675 14.873 0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.497 13.210 0.638 1.00 0.00 H new ATOM 308 N GLY A 23 -3.544 12.285 3.405 1.00 0.00 N ATOM 309 CA GLY A 23 -3.156 10.892 3.359 1.00 0.00 C ATOM 310 C GLY A 23 -4.117 10.120 2.462 1.00 0.00 C ATOM 311 O GLY A 23 -5.021 10.682 1.843 1.00 0.00 O ATOM 0 H GLY A 23 -4.374 12.455 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.138 10.801 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.162 10.469 4.364 1.00 0.00 H new ATOM 315 N PHE A 24 -3.926 8.805 2.384 1.00 0.00 N ATOM 316 CA PHE A 24 -5.047 7.924 2.068 1.00 0.00 C ATOM 317 C PHE A 24 -5.865 7.765 3.355 1.00 0.00 C ATOM 318 O PHE A 24 -5.458 8.260 4.410 1.00 0.00 O ATOM 319 CB PHE A 24 -4.528 6.579 1.567 1.00 0.00 C ATOM 320 CG PHE A 24 -3.623 6.681 0.356 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.158 7.041 -0.895 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.245 6.421 0.476 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.317 7.157 -2.012 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.403 6.536 -0.644 1.00 0.00 C ATOM 325 CZ PHE A 24 -1.938 6.911 -1.887 1.00 0.00 C ATOM 0 H PHE A 24 -3.032 8.336 2.531 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.671 8.339 1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.984 6.087 2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.378 5.942 1.321 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.217 7.228 -0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.833 6.132 1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.730 7.436 -2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.346 6.336 -0.548 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.291 7.010 -2.746 1.00 0.00 H new ATOM 335 N GLY A 25 -6.988 7.052 3.312 1.00 0.00 N ATOM 336 CA GLY A 25 -7.917 6.982 4.433 1.00 0.00 C ATOM 337 C GLY A 25 -8.400 5.579 4.719 1.00 0.00 C ATOM 338 O GLY A 25 -9.605 5.390 4.815 1.00 0.00 O ATOM 0 H GLY A 25 -7.278 6.508 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.432 7.381 5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.776 7.620 4.225 1.00 0.00 H new ATOM 342 N PHE A 26 -7.501 4.611 4.849 1.00 0.00 N ATOM 343 CA PHE A 26 -7.816 3.220 5.111 1.00 0.00 C ATOM 344 C PHE A 26 -6.850 2.643 6.151 1.00 0.00 C ATOM 345 O PHE A 26 -5.635 2.857 6.081 1.00 0.00 O ATOM 346 CB PHE A 26 -7.799 2.466 3.775 1.00 0.00 C ATOM 347 CG PHE A 26 -6.437 2.250 3.122 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.720 3.325 2.562 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.915 0.951 3.000 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.480 3.105 1.929 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.694 0.727 2.345 1.00 0.00 C ATOM 352 CZ PHE A 26 -3.959 1.806 1.833 1.00 0.00 C ATOM 0 H PHE A 26 -6.499 4.783 4.771 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.811 3.114 5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.259 1.490 3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.431 3.008 3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.123 4.325 2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.459 0.116 3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.930 3.938 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.319 -0.280 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.999 1.638 1.368 1.00 0.00 H new ATOM 362 N VAL A 27 -7.389 1.902 7.115 1.00 0.00 N ATOM 363 CA VAL A 27 -6.656 1.279 8.206 1.00 0.00 C ATOM 364 C VAL A 27 -6.529 -0.199 7.854 1.00 0.00 C ATOM 365 O VAL A 27 -7.537 -0.904 7.848 1.00 0.00 O ATOM 366 CB VAL A 27 -7.385 1.518 9.549 1.00 0.00 C ATOM 367 CG1 VAL A 27 -6.547 0.973 10.711 1.00 0.00 C ATOM 368 CG2 VAL A 27 -7.637 3.006 9.835 1.00 0.00 C ATOM 0 H VAL A 27 -8.391 1.713 7.156 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.663 1.710 8.331 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.342 1.004 9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.071 1.147 11.651 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.390 -0.097 10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.583 1.481 10.734 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.151 3.111 10.790 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.685 3.535 9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.254 3.429 9.042 1.00 0.00 H new ATOM 378 N ILE A 28 -5.331 -0.678 7.512 1.00 0.00 N ATOM 379 CA ILE A 28 -5.094 -2.094 7.259 1.00 0.00 C ATOM 380 C ILE A 28 -4.890 -2.765 8.610 1.00 0.00 C ATOM 381 O ILE A 28 -4.005 -2.341 9.361 1.00 0.00 O ATOM 382 CB ILE A 28 -3.873 -2.329 6.345 1.00 0.00 C ATOM 383 CG1 ILE A 28 -3.914 -1.470 5.060 1.00 0.00 C ATOM 384 CG2 ILE A 28 -3.771 -3.817 5.979 1.00 0.00 C ATOM 385 CD1 ILE A 28 -3.316 -0.066 5.256 1.00 0.00 C ATOM 0 H ILE A 28 -4.502 -0.094 7.404 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.949 -2.518 6.733 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.990 -2.022 6.906 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.369 -1.984 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.947 -1.375 4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.907 -3.975 5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.658 -4.408 6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.676 -4.126 5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.374 0.488 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.877 0.464 6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.273 -0.154 5.562 1.00 0.00 H new ATOM 397 N ILE A 29 -5.669 -3.801 8.912 1.00 0.00 N ATOM 398 CA ILE A 29 -5.557 -4.564 10.137 1.00 0.00 C ATOM 399 C ILE A 29 -5.057 -5.971 9.824 1.00 0.00 C ATOM 400 O ILE A 29 -5.313 -6.518 8.747 1.00 0.00 O ATOM 401 CB ILE A 29 -6.892 -4.556 10.909 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.007 -5.457 10.328 1.00 0.00 C ATOM 403 CG2 ILE A 29 -7.402 -3.118 11.095 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.236 -5.523 11.249 1.00 0.00 C ATOM 0 H ILE A 29 -6.409 -4.135 8.294 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.823 -4.099 10.794 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.653 -5.001 11.875 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.307 -5.078 9.351 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.616 -6.463 10.173 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.345 -3.134 11.642 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.667 -2.541 11.656 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.556 -2.658 10.119 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.993 -6.167 10.800 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.943 -5.928 12.218 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.645 -4.521 11.383 1.00 0.00 H new ATOM 416 N SER A 30 -4.402 -6.555 10.821 1.00 0.00 N ATOM 417 CA SER A 30 -4.005 -7.945 10.882 1.00 0.00 C ATOM 418 C SER A 30 -5.138 -8.696 11.580 1.00 0.00 C ATOM 419 O SER A 30 -5.813 -9.519 10.959 1.00 0.00 O ATOM 420 CB SER A 30 -2.665 -7.998 11.630 1.00 0.00 C ATOM 421 OG SER A 30 -2.209 -9.304 11.901 1.00 0.00 O ATOM 0 H SER A 30 -4.121 -6.036 11.653 1.00 0.00 H new ATOM 0 HA SER A 30 -3.851 -8.414 9.910 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.911 -7.476 11.040 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.765 -7.457 12.571 1.00 0.00 H new ATOM 0 HG SER A 30 -1.353 -9.260 12.376 1.00 0.00 H new ATOM 427 N SER A 31 -5.387 -8.352 12.851 1.00 0.00 N ATOM 428 CA SER A 31 -6.331 -9.021 13.737 1.00 0.00 C ATOM 429 C SER A 31 -6.168 -10.547 13.690 1.00 0.00 C ATOM 430 O SER A 31 -7.081 -11.282 13.297 1.00 0.00 O ATOM 431 CB SER A 31 -7.744 -8.502 13.463 1.00 0.00 C ATOM 432 OG SER A 31 -7.857 -7.195 13.989 1.00 0.00 O ATOM 0 H SER A 31 -4.914 -7.568 13.301 1.00 0.00 H new ATOM 0 HA SER A 31 -6.115 -8.772 14.776 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.943 -8.496 12.391 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.483 -9.159 13.921 1.00 0.00 H new ATOM 0 HG SER A 31 -8.803 -6.972 14.111 1.00 0.00 H new ATOM 438 N LEU A 32 -4.988 -10.978 14.154 1.00 0.00 N ATOM 439 CA LEU A 32 -4.477 -12.338 14.300 1.00 0.00 C ATOM 440 C LEU A 32 -4.072 -12.886 12.931 1.00 0.00 C ATOM 441 O LEU A 32 -4.868 -13.524 12.243 1.00 0.00 O ATOM 442 CB LEU A 32 -5.444 -13.244 15.094 1.00 0.00 C ATOM 443 CG LEU A 32 -4.761 -14.345 15.935 1.00 0.00 C ATOM 444 CD1 LEU A 32 -3.690 -15.148 15.188 1.00 0.00 C ATOM 445 CD2 LEU A 32 -4.147 -13.762 17.215 1.00 0.00 C ATOM 0 H LEU A 32 -4.294 -10.301 14.471 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.574 -12.321 14.911 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.042 -12.619 15.757 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.133 -13.717 14.394 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.564 -15.041 16.177 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.265 -15.897 15.856 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.140 -15.642 14.327 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.902 -14.476 14.849 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.673 -14.560 17.787 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.401 -13.012 16.952 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.930 -13.300 17.816 1.00 0.00 H new ATOM 457 N ASN A 33 -2.830 -12.600 12.534 1.00 0.00 N ATOM 458 CA ASN A 33 -2.195 -13.098 11.314 1.00 0.00 C ATOM 459 C ASN A 33 -2.103 -14.625 11.378 1.00 0.00 C ATOM 460 O ASN A 33 -1.720 -15.165 12.415 1.00 0.00 O ATOM 461 CB ASN A 33 -0.782 -12.488 11.233 1.00 0.00 C ATOM 462 CG ASN A 33 -0.006 -12.794 9.957 1.00 0.00 C ATOM 463 OD1 ASN A 33 -0.502 -13.387 9.006 1.00 0.00 O ATOM 464 ND2 ASN A 33 1.248 -12.372 9.903 1.00 0.00 N ATOM 0 H ASN A 33 -2.216 -11.991 13.075 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.775 -12.819 10.434 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.866 -11.406 11.335 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.202 -12.845 12.084 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.807 -12.540 9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.655 -11.879 10.698 1.00 0.00 H new ATOM 471 N ARG A 34 -2.407 -15.324 10.285 1.00 0.00 N ATOM 472 CA ARG A 34 -2.119 -16.746 10.110 1.00 0.00 C ATOM 473 C ARG A 34 -1.485 -16.959 8.737 1.00 0.00 C ATOM 474 O ARG A 34 -1.796 -16.211 7.803 1.00 0.00 O ATOM 475 CB ARG A 34 -3.401 -17.584 10.220 1.00 0.00 C ATOM 476 CG ARG A 34 -3.725 -18.011 11.657 1.00 0.00 C ATOM 477 CD ARG A 34 -5.114 -18.663 11.709 1.00 0.00 C ATOM 478 NE ARG A 34 -5.106 -20.037 12.242 1.00 0.00 N ATOM 479 CZ ARG A 34 -6.203 -20.736 12.558 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.406 -20.208 12.339 1.00 0.00 N ATOM 481 NH2 ARG A 34 -6.095 -21.942 13.099 1.00 0.00 N ATOM 0 H ARG A 34 -2.871 -14.907 9.478 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.434 -17.066 10.896 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.237 -17.010 9.822 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.300 -18.473 9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.971 -18.712 12.016 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.695 -17.145 12.318 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.771 -18.048 12.324 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.537 -18.675 10.705 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.201 -20.487 12.380 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.488 -19.276 11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.246 -20.736 12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.173 -22.341 13.276 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.934 -22.471 13.338 1.00 0.00 H new ATOM 495 N PRO A 35 -0.650 -18.001 8.590 1.00 0.00 N ATOM 496 CA PRO A 35 -0.054 -18.391 7.326 1.00 0.00 C ATOM 497 C PRO A 35 -1.150 -18.971 6.426 1.00 0.00 C ATOM 498 O PRO A 35 -1.517 -20.144 6.533 1.00 0.00 O ATOM 499 CB PRO A 35 1.069 -19.372 7.670 1.00 0.00 C ATOM 500 CG PRO A 35 0.644 -19.967 9.009 1.00 0.00 C ATOM 501 CD PRO A 35 -0.252 -18.914 9.649 1.00 0.00 C ATOM 0 HA PRO A 35 0.379 -17.563 6.765 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.173 -20.143 6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.031 -18.866 7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.110 -20.907 8.870 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.509 -20.182 9.637 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.125 -19.377 10.109 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.279 -18.382 10.438 1.00 0.00 H new ATOM 509 N GLU A 36 -1.698 -18.125 5.559 1.00 0.00 N ATOM 510 CA GLU A 36 -2.618 -18.469 4.493 1.00 0.00 C ATOM 511 C GLU A 36 -1.805 -19.284 3.488 1.00 0.00 C ATOM 512 O GLU A 36 -0.864 -18.752 2.890 1.00 0.00 O ATOM 513 CB GLU A 36 -3.160 -17.153 3.913 1.00 0.00 C ATOM 514 CG GLU A 36 -4.295 -17.320 2.902 1.00 0.00 C ATOM 515 CD GLU A 36 -5.673 -17.450 3.575 1.00 0.00 C ATOM 516 OE1 GLU A 36 -5.797 -18.176 4.593 1.00 0.00 O ATOM 517 OE2 GLU A 36 -6.637 -16.837 3.061 1.00 0.00 O ATOM 0 H GLU A 36 -1.497 -17.125 5.588 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.477 -19.060 4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.512 -16.528 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.340 -16.618 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.304 -16.464 2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.107 -18.204 2.293 1.00 0.00 H new ATOM 524 N SER A 37 -2.085 -20.581 3.372 1.00 0.00 N ATOM 525 CA SER A 37 -1.203 -21.536 2.722 1.00 0.00 C ATOM 526 C SER A 37 -2.061 -22.639 2.104 1.00 0.00 C ATOM 527 O SER A 37 -2.529 -23.531 2.816 1.00 0.00 O ATOM 528 CB SER A 37 -0.216 -22.066 3.780 1.00 0.00 C ATOM 529 OG SER A 37 0.781 -22.878 3.195 1.00 0.00 O ATOM 0 H SER A 37 -2.943 -20.999 3.733 1.00 0.00 H new ATOM 0 HA SER A 37 -0.621 -21.085 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.252 -21.227 4.295 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.759 -22.639 4.532 1.00 0.00 H new ATOM 0 HG SER A 37 1.392 -23.198 3.891 1.00 0.00 H new ATOM 535 N GLY A 38 -2.258 -22.621 0.786 1.00 0.00 N ATOM 536 CA GLY A 38 -3.066 -23.594 0.065 1.00 0.00 C ATOM 537 C GLY A 38 -4.533 -23.288 0.320 1.00 0.00 C ATOM 538 O GLY A 38 -5.033 -22.275 -0.160 1.00 0.00 O ATOM 0 H GLY A 38 -1.849 -21.911 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.850 -23.549 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.827 -24.605 0.396 1.00 0.00 H new ATOM 542 N SER A 39 -5.201 -24.143 1.091 1.00 0.00 N ATOM 543 CA SER A 39 -6.588 -23.983 1.477 1.00 0.00 C ATOM 544 C SER A 39 -6.739 -22.745 2.358 1.00 0.00 C ATOM 545 O SER A 39 -6.243 -22.701 3.484 1.00 0.00 O ATOM 546 CB SER A 39 -7.043 -25.263 2.172 1.00 0.00 C ATOM 547 OG SER A 39 -7.098 -26.294 1.200 1.00 0.00 O ATOM 0 H SER A 39 -4.774 -24.988 1.472 1.00 0.00 H new ATOM 0 HA SER A 39 -7.225 -23.826 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.351 -25.529 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.021 -25.120 2.632 1.00 0.00 H new ATOM 0 HG SER A 39 -7.387 -27.129 1.624 1.00 0.00 H new ATOM 553 N THR A 40 -7.381 -21.720 1.803 1.00 0.00 N ATOM 554 CA THR A 40 -7.530 -20.414 2.421 1.00 0.00 C ATOM 555 C THR A 40 -8.516 -20.447 3.592 1.00 0.00 C ATOM 556 O THR A 40 -9.483 -21.218 3.580 1.00 0.00 O ATOM 557 CB THR A 40 -7.970 -19.426 1.337 1.00 0.00 C ATOM 558 OG1 THR A 40 -9.064 -19.932 0.585 1.00 0.00 O ATOM 559 CG2 THR A 40 -6.819 -19.152 0.363 1.00 0.00 C ATOM 0 H THR A 40 -7.823 -21.781 0.886 1.00 0.00 H new ATOM 0 HA THR A 40 -6.577 -20.097 2.845 1.00 0.00 H new ATOM 0 HB THR A 40 -8.269 -18.510 1.846 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.322 -19.278 -0.097 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.149 -18.448 -0.401 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.975 -18.728 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.514 -20.085 -0.111 1.00 0.00 H new ATOM 567 N ILE A 41 -8.274 -19.603 4.596 1.00 0.00 N ATOM 568 CA ILE A 41 -9.017 -19.556 5.856 1.00 0.00 C ATOM 569 C ILE A 41 -9.126 -18.099 6.320 1.00 0.00 C ATOM 570 O ILE A 41 -10.219 -17.607 6.624 1.00 0.00 O ATOM 571 CB ILE A 41 -8.337 -20.471 6.916 1.00 0.00 C ATOM 572 CG1 ILE A 41 -8.258 -21.945 6.447 1.00 0.00 C ATOM 573 CG2 ILE A 41 -9.102 -20.425 8.253 1.00 0.00 C ATOM 574 CD1 ILE A 41 -7.449 -22.892 7.333 1.00 0.00 C ATOM 0 H ILE A 41 -7.528 -18.908 4.552 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.028 -19.939 5.714 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.325 -20.088 7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.273 -22.334 6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.830 -21.963 5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.608 -21.072 8.977 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.115 -19.402 8.630 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.125 -20.768 8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.465 -23.894 6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.419 -22.541 7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.885 -22.917 8.332 1.00 0.00 H new ATOM 586 N THR A 42 -8.001 -17.398 6.390 1.00 0.00 N ATOM 587 CA THR A 42 -7.842 -16.189 7.196 1.00 0.00 C ATOM 588 C THR A 42 -6.875 -15.227 6.496 1.00 0.00 C ATOM 589 O THR A 42 -5.656 -15.397 6.594 1.00 0.00 O ATOM 590 CB THR A 42 -7.416 -16.557 8.646 1.00 0.00 C ATOM 591 OG1 THR A 42 -6.866 -17.861 8.781 1.00 0.00 O ATOM 592 CG2 THR A 42 -8.609 -16.527 9.610 1.00 0.00 C ATOM 0 H THR A 42 -7.157 -17.657 5.880 1.00 0.00 H new ATOM 0 HA THR A 42 -8.795 -15.667 7.287 1.00 0.00 H new ATOM 0 HB THR A 42 -6.662 -15.807 8.883 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.310 -18.328 9.519 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.273 -16.789 10.613 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.042 -15.527 9.622 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.361 -17.244 9.280 1.00 0.00 H new ATOM 600 N VAL A 43 -7.402 -14.216 5.792 1.00 0.00 N ATOM 601 CA VAL A 43 -6.589 -13.306 4.985 1.00 0.00 C ATOM 602 C VAL A 43 -5.675 -12.495 5.922 1.00 0.00 C ATOM 603 O VAL A 43 -6.162 -11.937 6.911 1.00 0.00 O ATOM 604 CB VAL A 43 -7.456 -12.360 4.123 1.00 0.00 C ATOM 605 CG1 VAL A 43 -6.582 -11.603 3.112 1.00 0.00 C ATOM 606 CG2 VAL A 43 -8.531 -13.097 3.313 1.00 0.00 C ATOM 0 H VAL A 43 -8.401 -14.009 5.768 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.989 -13.898 4.294 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.939 -11.686 4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.208 -10.942 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.837 -11.013 3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.080 -12.317 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.105 -12.377 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.055 -13.811 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.198 -13.628 3.992 1.00 0.00 H new ATOM 616 N PRO A 44 -4.364 -12.410 5.635 1.00 0.00 N ATOM 617 CA PRO A 44 -3.410 -11.766 6.525 1.00 0.00 C ATOM 618 C PRO A 44 -3.517 -10.240 6.549 1.00 0.00 C ATOM 619 O PRO A 44 -3.008 -9.651 7.498 1.00 0.00 O ATOM 620 CB PRO A 44 -2.026 -12.216 6.043 1.00 0.00 C ATOM 621 CG PRO A 44 -2.247 -12.494 4.557 1.00 0.00 C ATOM 622 CD PRO A 44 -3.667 -13.046 4.526 1.00 0.00 C ATOM 0 HA PRO A 44 -3.610 -12.062 7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.274 -11.443 6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.685 -13.105 6.573 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.151 -11.589 3.957 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.525 -13.212 4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.154 -12.820 3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.667 -14.131 4.634 1.00 0.00 H new ATOM 630 N HIS A 45 -4.115 -9.579 5.551 1.00 0.00 N ATOM 631 CA HIS A 45 -4.317 -8.130 5.526 1.00 0.00 C ATOM 632 C HIS A 45 -5.730 -7.859 5.032 1.00 0.00 C ATOM 633 O HIS A 45 -6.209 -8.497 4.087 1.00 0.00 O ATOM 634 CB HIS A 45 -3.313 -7.433 4.587 1.00 0.00 C ATOM 635 CG HIS A 45 -1.964 -7.135 5.194 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.281 -7.902 6.105 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.199 -6.030 4.945 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.128 -7.279 6.381 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.064 -6.096 5.756 1.00 0.00 N ATOM 0 H HIS A 45 -4.479 -10.049 4.722 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.164 -7.736 6.531 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.167 -8.060 3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.753 -6.497 4.242 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.595 -8.788 6.501 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.432 -5.243 4.243 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.646 -7.677 7.021 1.00 0.00 H new ATOM 647 N LYS A 46 -6.396 -6.875 5.631 1.00 0.00 N ATOM 648 CA LYS A 46 -7.666 -6.364 5.134 1.00 0.00 C ATOM 649 C LYS A 46 -7.845 -4.941 5.652 1.00 0.00 C ATOM 650 O LYS A 46 -7.147 -4.537 6.580 1.00 0.00 O ATOM 651 CB LYS A 46 -8.813 -7.303 5.557 1.00 0.00 C ATOM 652 CG LYS A 46 -9.058 -7.340 7.067 1.00 0.00 C ATOM 653 CD LYS A 46 -10.508 -7.719 7.387 1.00 0.00 C ATOM 654 CE LYS A 46 -10.577 -8.036 8.881 1.00 0.00 C ATOM 655 NZ LYS A 46 -10.089 -9.404 9.176 1.00 0.00 N ATOM 0 H LYS A 46 -6.067 -6.410 6.477 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.678 -6.333 4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.730 -6.989 5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.590 -8.312 5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.382 -8.059 7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.831 -6.365 7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.183 -6.901 7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.819 -8.581 6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.981 -7.310 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.606 -7.934 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.351 -9.664 10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.519 -10.077 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.054 -9.432 9.077 1.00 0.00 H new ATOM 669 N ILE A 47 -8.783 -4.192 5.089 1.00 0.00 N ATOM 670 CA ILE A 47 -9.226 -2.931 5.662 1.00 0.00 C ATOM 671 C ILE A 47 -9.938 -3.253 6.996 1.00 0.00 C ATOM 672 O ILE A 47 -10.611 -4.277 7.112 1.00 0.00 O ATOM 673 CB ILE A 47 -10.189 -2.232 4.676 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.794 -2.243 3.185 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.486 -0.789 5.113 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.632 -1.333 2.810 1.00 0.00 C ATOM 0 H ILE A 47 -9.258 -4.443 4.222 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.387 -2.260 5.844 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.081 -2.856 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.540 -3.264 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.664 -1.956 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.166 -0.325 4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.947 -0.796 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.556 -0.221 5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.436 -1.415 1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.885 -0.301 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.743 -1.630 3.366 1.00 0.00 H new ATOM 688 N GLY A 48 -9.864 -2.355 7.978 1.00 0.00 N ATOM 689 CA GLY A 48 -10.581 -2.439 9.249 1.00 0.00 C ATOM 690 C GLY A 48 -11.238 -1.125 9.674 1.00 0.00 C ATOM 691 O GLY A 48 -12.001 -1.121 10.639 1.00 0.00 O ATOM 0 H GLY A 48 -9.283 -1.520 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.348 -3.210 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.887 -2.756 10.027 1.00 0.00 H new ATOM 695 N ARG A 49 -10.984 -0.004 8.993 1.00 0.00 N ATOM 696 CA ARG A 49 -11.740 1.252 9.074 1.00 0.00 C ATOM 697 C ARG A 49 -11.320 2.105 7.887 1.00 0.00 C ATOM 698 O ARG A 49 -10.255 1.862 7.313 1.00 0.00 O ATOM 699 CB ARG A 49 -11.439 1.992 10.394 1.00 0.00 C ATOM 700 CG ARG A 49 -12.422 3.131 10.696 1.00 0.00 C ATOM 701 CD ARG A 49 -12.166 3.724 12.081 1.00 0.00 C ATOM 702 NE ARG A 49 -13.331 4.502 12.529 1.00 0.00 N ATOM 703 CZ ARG A 49 -13.324 5.586 13.309 1.00 0.00 C ATOM 704 NH1 ARG A 49 -12.190 6.170 13.679 1.00 0.00 N ATOM 705 NH2 ARG A 49 -14.488 6.054 13.727 1.00 0.00 N ATOM 0 H ARG A 49 -10.206 0.057 8.336 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.811 1.051 9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.461 1.276 11.216 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.428 2.397 10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.325 3.910 9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.445 2.758 10.640 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.959 2.925 12.793 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.283 4.363 12.053 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.244 4.178 12.209 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.296 5.791 13.367 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.213 6.997 14.275 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.353 5.589 13.452 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.521 6.880 14.324 1.00 0.00 H new ATOM 719 N ILE A 50 -12.134 3.093 7.540 1.00 0.00 N ATOM 720 CA ILE A 50 -11.854 4.108 6.544 1.00 0.00 C ATOM 721 C ILE A 50 -12.210 5.463 7.150 1.00 0.00 C ATOM 722 O ILE A 50 -13.106 5.551 7.994 1.00 0.00 O ATOM 723 CB ILE A 50 -12.645 3.774 5.262 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.907 2.645 4.522 1.00 0.00 C ATOM 725 CG2 ILE A 50 -12.902 4.963 4.316 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.792 2.038 3.439 1.00 0.00 C ATOM 0 H ILE A 50 -13.052 3.210 7.969 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.802 4.141 6.260 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.641 3.467 5.581 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.993 3.034 4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.611 1.872 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.464 4.622 3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.474 5.728 4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.950 5.381 3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.249 1.242 2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.694 1.629 3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.066 2.809 2.719 1.00 0.00 H new ATOM 738 N ILE A 51 -11.498 6.498 6.711 1.00 0.00 N ATOM 739 CA ILE A 51 -11.654 7.873 7.145 1.00 0.00 C ATOM 740 C ILE A 51 -12.818 8.502 6.382 1.00 0.00 C ATOM 741 O ILE A 51 -12.745 8.661 5.158 1.00 0.00 O ATOM 742 CB ILE A 51 -10.342 8.636 6.890 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.129 8.026 7.614 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.476 10.128 7.224 1.00 0.00 C ATOM 745 CD1 ILE A 51 -9.283 7.839 9.121 1.00 0.00 C ATOM 0 H ILE A 51 -10.764 6.390 6.011 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.873 7.918 8.212 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.152 8.536 5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.912 7.056 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.263 8.662 7.432 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.528 10.631 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.255 10.571 6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.740 10.243 8.275 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.371 7.403 9.529 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.465 8.806 9.591 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.124 7.175 9.321 1.00 0.00 H new ATOM 757 N ASP A 52 -13.842 8.918 7.122 1.00 0.00 N ATOM 758 CA ASP A 52 -14.944 9.753 6.652 1.00 0.00 C ATOM 759 C ASP A 52 -14.362 11.102 6.216 1.00 0.00 C ATOM 760 O ASP A 52 -14.122 11.983 7.048 1.00 0.00 O ATOM 761 CB ASP A 52 -16.002 9.941 7.757 1.00 0.00 C ATOM 762 CG ASP A 52 -17.078 8.851 7.801 1.00 0.00 C ATOM 763 OD1 ASP A 52 -16.780 7.661 7.549 1.00 0.00 O ATOM 764 OD2 ASP A 52 -18.222 9.181 8.184 1.00 0.00 O ATOM 0 H ASP A 52 -13.930 8.672 8.108 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.444 9.273 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.498 9.975 8.723 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.487 10.907 7.617 1.00 0.00 H new ATOM 769 N GLY A 53 -14.098 11.270 4.921 1.00 0.00 N ATOM 770 CA GLY A 53 -13.527 12.477 4.327 1.00 0.00 C ATOM 771 C GLY A 53 -12.307 12.211 3.451 1.00 0.00 C ATOM 772 O GLY A 53 -11.741 13.163 2.914 1.00 0.00 O ATOM 0 H GLY A 53 -14.283 10.542 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.291 12.974 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.248 13.166 5.124 1.00 0.00 H new ATOM 776 N SER A 54 -11.882 10.955 3.301 1.00 0.00 N ATOM 777 CA SER A 54 -10.724 10.603 2.489 1.00 0.00 C ATOM 778 C SER A 54 -11.079 10.275 1.037 1.00 0.00 C ATOM 779 O SER A 54 -12.240 9.965 0.744 1.00 0.00 O ATOM 780 CB SER A 54 -10.048 9.392 3.115 1.00 0.00 C ATOM 781 OG SER A 54 -10.933 8.286 3.242 1.00 0.00 O ATOM 0 H SER A 54 -12.335 10.154 3.742 1.00 0.00 H new ATOM 0 HA SER A 54 -10.066 11.472 2.467 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.192 9.101 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.663 9.661 4.099 1.00 0.00 H new ATOM 0 HG SER A 54 -11.496 8.407 4.035 1.00 0.00 H new ATOM 787 N PRO A 55 -10.077 10.214 0.141 1.00 0.00 N ATOM 788 CA PRO A 55 -10.244 9.630 -1.183 1.00 0.00 C ATOM 789 C PRO A 55 -10.589 8.137 -1.104 1.00 0.00 C ATOM 790 O PRO A 55 -11.337 7.658 -1.953 1.00 0.00 O ATOM 791 CB PRO A 55 -8.925 9.878 -1.924 1.00 0.00 C ATOM 792 CG PRO A 55 -7.896 10.114 -0.819 1.00 0.00 C ATOM 793 CD PRO A 55 -8.716 10.699 0.326 1.00 0.00 C ATOM 0 HA PRO A 55 -11.079 10.087 -1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.652 9.023 -2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.999 10.740 -2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.405 9.186 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.113 10.801 -1.142 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.318 10.383 1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.685 11.788 0.310 1.00 0.00 H new ATOM 801 N ALA A 56 -10.090 7.404 -0.092 1.00 0.00 N ATOM 802 CA ALA A 56 -10.366 5.978 0.064 1.00 0.00 C ATOM 803 C ALA A 56 -11.874 5.716 0.093 1.00 0.00 C ATOM 804 O ALA A 56 -12.354 4.845 -0.627 1.00 0.00 O ATOM 805 CB ALA A 56 -9.668 5.458 1.325 1.00 0.00 C ATOM 0 H ALA A 56 -9.487 7.789 0.635 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.969 5.435 -0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.874 4.394 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.593 5.612 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.041 5.997 2.196 1.00 0.00 H new ATOM 811 N ASP A 57 -12.610 6.500 0.888 1.00 0.00 N ATOM 812 CA ASP A 57 -14.063 6.380 0.991 1.00 0.00 C ATOM 813 C ASP A 57 -14.744 6.803 -0.315 1.00 0.00 C ATOM 814 O ASP A 57 -15.517 6.035 -0.885 1.00 0.00 O ATOM 815 CB ASP A 57 -14.574 7.214 2.176 1.00 0.00 C ATOM 816 CG ASP A 57 -15.941 6.771 2.716 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.576 5.828 2.199 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.387 7.389 3.715 1.00 0.00 O ATOM 0 H ASP A 57 -12.214 7.233 1.476 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.315 5.334 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.843 7.163 2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.638 8.258 1.870 1.00 0.00 H new ATOM 823 N ARG A 58 -14.435 8.007 -0.834 1.00 0.00 N ATOM 824 CA ARG A 58 -15.129 8.566 -2.006 1.00 0.00 C ATOM 825 C ARG A 58 -15.034 7.655 -3.222 1.00 0.00 C ATOM 826 O ARG A 58 -15.970 7.608 -4.018 1.00 0.00 O ATOM 827 CB ARG A 58 -14.566 9.931 -2.434 1.00 0.00 C ATOM 828 CG ARG A 58 -14.810 11.094 -1.468 1.00 0.00 C ATOM 829 CD ARG A 58 -15.045 12.423 -2.213 1.00 0.00 C ATOM 830 NE ARG A 58 -16.427 12.519 -2.714 1.00 0.00 N ATOM 831 CZ ARG A 58 -17.513 12.753 -1.966 1.00 0.00 C ATOM 832 NH1 ARG A 58 -17.409 13.135 -0.697 1.00 0.00 N ATOM 833 NH2 ARG A 58 -18.712 12.587 -2.505 1.00 0.00 N ATOM 0 H ARG A 58 -13.706 8.612 -0.457 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.165 8.670 -1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.491 9.828 -2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.997 10.192 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.675 10.871 -0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.953 11.198 -0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.840 13.259 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.347 12.503 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.569 12.397 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.488 13.255 -0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.250 13.308 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -18.797 12.285 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.549 12.761 -1.949 1.00 0.00 H new ATOM 847 N CYS A 59 -13.910 6.951 -3.393 1.00 0.00 N ATOM 848 CA CYS A 59 -13.714 6.075 -4.536 1.00 0.00 C ATOM 849 C CYS A 59 -14.724 4.921 -4.571 1.00 0.00 C ATOM 850 O CYS A 59 -14.885 4.334 -5.640 1.00 0.00 O ATOM 851 CB CYS A 59 -12.260 5.581 -4.566 1.00 0.00 C ATOM 852 SG CYS A 59 -11.204 6.954 -5.108 1.00 0.00 S ATOM 0 H CYS A 59 -13.122 6.976 -2.746 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.901 6.649 -5.443 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.956 5.235 -3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.160 4.734 -5.245 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.913 7.706 -4.089 1.00 0.00 H new ATOM 858 N ALA A 60 -15.423 4.612 -3.470 1.00 0.00 N ATOM 859 CA ALA A 60 -16.546 3.678 -3.396 1.00 0.00 C ATOM 860 C ALA A 60 -16.289 2.342 -4.127 1.00 0.00 C ATOM 861 O ALA A 60 -17.204 1.753 -4.721 1.00 0.00 O ATOM 862 CB ALA A 60 -17.838 4.392 -3.824 1.00 0.00 C ATOM 0 H ALA A 60 -15.207 5.029 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.667 3.370 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.674 3.695 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -18.024 5.236 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.733 4.752 -4.847 1.00 0.00 H new ATOM 868 N LYS A 61 -15.038 1.867 -4.093 1.00 0.00 N ATOM 869 CA LYS A 61 -14.575 0.569 -4.594 1.00 0.00 C ATOM 870 C LYS A 61 -13.751 -0.179 -3.553 1.00 0.00 C ATOM 871 O LYS A 61 -13.334 -1.304 -3.827 1.00 0.00 O ATOM 872 CB LYS A 61 -13.710 0.764 -5.841 1.00 0.00 C ATOM 873 CG LYS A 61 -14.600 1.100 -7.035 1.00 0.00 C ATOM 874 CD LYS A 61 -14.122 0.372 -8.295 1.00 0.00 C ATOM 875 CE LYS A 61 -12.721 0.754 -8.796 1.00 0.00 C ATOM 876 NZ LYS A 61 -12.643 2.125 -9.340 1.00 0.00 N ATOM 0 H LYS A 61 -14.276 2.413 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.463 -0.017 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.990 1.565 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.138 -0.141 -6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.630 0.819 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.593 2.176 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.138 -0.700 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.838 0.561 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.011 0.657 -7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.415 0.048 -9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.672 2.317 -9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.297 2.217 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.905 2.807 -8.600 1.00 0.00 H new ATOM 890 N LEU A 62 -13.438 0.458 -2.428 1.00 0.00 N ATOM 891 CA LEU A 62 -12.546 -0.087 -1.418 1.00 0.00 C ATOM 892 C LEU A 62 -13.105 0.247 -0.043 1.00 0.00 C ATOM 893 O LEU A 62 -12.955 1.375 0.422 1.00 0.00 O ATOM 894 CB LEU A 62 -11.116 0.461 -1.615 1.00 0.00 C ATOM 895 CG LEU A 62 -9.979 -0.557 -1.390 1.00 0.00 C ATOM 896 CD1 LEU A 62 -8.757 0.159 -0.824 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.269 -1.707 -0.425 1.00 0.00 C ATOM 0 H LEU A 62 -13.804 1.380 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.483 -1.171 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.033 0.855 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.970 1.299 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.834 -0.992 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.954 -0.561 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.425 0.923 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.017 0.627 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.393 -2.351 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.505 -1.305 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.116 -2.286 -0.793 1.00 0.00 H new ATOM 909 N LYS A 63 -13.755 -0.710 0.605 1.00 0.00 N ATOM 910 CA LYS A 63 -14.559 -0.541 1.816 1.00 0.00 C ATOM 911 C LYS A 63 -14.087 -1.516 2.885 1.00 0.00 C ATOM 912 O LYS A 63 -13.435 -2.513 2.575 1.00 0.00 O ATOM 913 CB LYS A 63 -16.058 -0.678 1.487 1.00 0.00 C ATOM 914 CG LYS A 63 -16.339 -1.787 0.462 1.00 0.00 C ATOM 915 CD LYS A 63 -17.809 -1.996 0.099 1.00 0.00 C ATOM 916 CE LYS A 63 -17.885 -2.682 -1.276 1.00 0.00 C ATOM 917 NZ LYS A 63 -17.113 -3.945 -1.345 1.00 0.00 N ATOM 0 H LYS A 63 -13.737 -1.679 0.286 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.424 0.463 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.610 -0.887 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.430 0.271 1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.787 -1.562 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.943 -2.725 0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.301 -2.608 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.332 -1.040 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.928 -2.889 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.514 -1.996 -2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.121 -4.304 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.132 -3.769 -1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.544 -4.650 -0.714 1.00 0.00 H new ATOM 931 N VAL A 64 -14.388 -1.250 4.161 1.00 0.00 N ATOM 932 CA VAL A 64 -13.978 -2.133 5.245 1.00 0.00 C ATOM 933 C VAL A 64 -14.691 -3.476 5.105 1.00 0.00 C ATOM 934 O VAL A 64 -15.914 -3.572 5.237 1.00 0.00 O ATOM 935 CB VAL A 64 -13.912 -1.500 6.639 1.00 0.00 C ATOM 936 CG1 VAL A 64 -15.004 -0.493 6.777 1.00 0.00 C ATOM 937 CG2 VAL A 64 -13.913 -2.493 7.804 1.00 0.00 C ATOM 0 H VAL A 64 -14.914 -0.430 4.462 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.914 -2.344 5.133 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.939 -1.015 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.959 -0.041 7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.883 0.281 6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -15.969 -0.982 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.864 -1.948 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -14.827 -3.087 7.775 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.049 -3.152 7.721 1.00 0.00 H new ATOM 947 N GLY A 65 -13.911 -4.503 4.790 1.00 0.00 N ATOM 948 CA GLY A 65 -14.301 -5.876 4.495 1.00 0.00 C ATOM 949 C GLY A 65 -13.665 -6.372 3.191 1.00 0.00 C ATOM 950 O GLY A 65 -13.497 -7.578 3.012 1.00 0.00 O ATOM 0 H GLY A 65 -12.900 -4.385 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.001 -6.525 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.387 -5.939 4.419 1.00 0.00 H new ATOM 954 N ASP A 66 -13.199 -5.464 2.326 1.00 0.00 N ATOM 955 CA ASP A 66 -12.418 -5.784 1.136 1.00 0.00 C ATOM 956 C ASP A 66 -11.011 -6.240 1.530 1.00 0.00 C ATOM 957 O ASP A 66 -10.163 -5.441 1.925 1.00 0.00 O ATOM 958 CB ASP A 66 -12.398 -4.606 0.149 1.00 0.00 C ATOM 959 CG ASP A 66 -13.773 -4.231 -0.430 1.00 0.00 C ATOM 960 OD1 ASP A 66 -14.736 -5.030 -0.361 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.926 -3.100 -0.929 1.00 0.00 O ATOM 0 H ASP A 66 -13.361 -4.464 2.441 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.897 -6.614 0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.981 -3.734 0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.726 -4.850 -0.674 1.00 0.00 H new ATOM 966 N ARG A 67 -10.803 -7.552 1.592 1.00 0.00 N ATOM 967 CA ARG A 67 -9.535 -8.247 1.814 1.00 0.00 C ATOM 968 C ARG A 67 -8.462 -7.810 0.805 1.00 0.00 C ATOM 969 O ARG A 67 -8.791 -7.485 -0.332 1.00 0.00 O ATOM 970 CB ARG A 67 -9.857 -9.738 1.658 1.00 0.00 C ATOM 971 CG ARG A 67 -10.722 -10.291 2.805 1.00 0.00 C ATOM 972 CD ARG A 67 -11.486 -11.554 2.384 1.00 0.00 C ATOM 973 NE ARG A 67 -12.857 -11.248 1.952 1.00 0.00 N ATOM 974 CZ ARG A 67 -13.836 -12.145 1.784 1.00 0.00 C ATOM 975 NH1 ARG A 67 -13.580 -13.444 1.800 1.00 0.00 N ATOM 976 NH2 ARG A 67 -15.091 -11.756 1.606 1.00 0.00 N ATOM 0 H ARG A 67 -11.575 -8.209 1.480 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.126 -8.017 2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.375 -9.895 0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.925 -10.302 1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.088 -10.518 3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.431 -9.528 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.952 -12.048 1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.516 -12.255 3.218 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.081 -10.271 1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.625 -13.774 1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.337 -14.115 1.670 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.320 -10.762 1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.827 -12.451 1.479 1.00 0.00 H new ATOM 990 N ILE A 68 -7.182 -7.852 1.189 1.00 0.00 N ATOM 991 CA ILE A 68 -6.067 -7.209 0.482 1.00 0.00 C ATOM 992 C ILE A 68 -5.030 -8.305 0.193 1.00 0.00 C ATOM 993 O ILE A 68 -4.517 -8.909 1.134 1.00 0.00 O ATOM 994 CB ILE A 68 -5.495 -6.069 1.372 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.559 -4.992 1.690 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.253 -5.350 0.803 1.00 0.00 C ATOM 997 CD1 ILE A 68 -6.053 -3.964 2.705 1.00 0.00 C ATOM 0 H ILE A 68 -6.883 -8.350 2.027 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.375 -6.754 -0.459 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.187 -6.596 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.844 -4.482 0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.456 -5.473 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.932 -4.573 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.446 -6.070 0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.502 -4.898 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.834 -3.228 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.793 -4.469 3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.171 -3.462 2.306 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.751 -8.596 -1.085 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.771 -9.604 -1.510 1.00 0.00 C ATOM 1011 C LEU A 69 -2.365 -9.017 -1.657 1.00 0.00 C ATOM 1012 O LEU A 69 -1.364 -9.673 -1.364 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.172 -10.156 -2.890 1.00 0.00 C ATOM 1014 CG LEU A 69 -5.394 -11.087 -2.890 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -5.812 -11.363 -4.336 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -5.105 -12.418 -2.187 1.00 0.00 C ATOM 0 H LEU A 69 -5.209 -8.128 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.761 -10.379 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.374 -9.316 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.323 -10.697 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.194 -10.589 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.679 -12.023 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.067 -10.424 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.988 -11.839 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.997 -13.044 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.289 -12.929 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.823 -12.229 -1.151 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.274 -7.804 -2.201 1.00 0.00 N ATOM 1029 CA ALA A 70 -1.030 -7.172 -2.610 1.00 0.00 C ATOM 1030 C ALA A 70 -1.236 -5.663 -2.647 1.00 0.00 C ATOM 1031 O ALA A 70 -2.377 -5.188 -2.590 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.654 -7.673 -4.017 1.00 0.00 C ATOM 0 H ALA A 70 -3.092 -7.220 -2.373 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.233 -7.418 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.278 -7.205 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.527 -8.755 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.446 -7.414 -4.719 1.00 0.00 H new ATOM 1038 N VAL A 71 -0.140 -4.930 -2.816 1.00 0.00 N ATOM 1039 CA VAL A 71 -0.152 -3.494 -3.073 1.00 0.00 C ATOM 1040 C VAL A 71 0.581 -3.261 -4.383 1.00 0.00 C ATOM 1041 O VAL A 71 1.728 -3.683 -4.506 1.00 0.00 O ATOM 1042 CB VAL A 71 0.406 -2.728 -1.864 1.00 0.00 C ATOM 1043 CG1 VAL A 71 1.908 -2.917 -1.648 1.00 0.00 C ATOM 1044 CG2 VAL A 71 0.076 -1.230 -1.967 1.00 0.00 C ATOM 0 H VAL A 71 0.800 -5.325 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.162 -3.101 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.088 -3.158 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.225 -2.345 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.122 -3.973 -1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.449 -2.568 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.481 -0.708 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.518 -0.822 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.005 -1.097 -1.998 1.00 0.00 H new ATOM 1054 N ASN A 72 -0.085 -2.631 -5.354 1.00 0.00 N ATOM 1055 CA ASN A 72 0.310 -2.448 -6.748 1.00 0.00 C ATOM 1056 C ASN A 72 0.638 -3.779 -7.424 1.00 0.00 C ATOM 1057 O ASN A 72 -0.133 -4.259 -8.257 1.00 0.00 O ATOM 1058 CB ASN A 72 1.446 -1.417 -6.888 1.00 0.00 C ATOM 1059 CG ASN A 72 0.938 0.014 -6.988 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.511 0.454 -8.048 1.00 0.00 O ATOM 1061 ND2 ASN A 72 0.980 0.785 -5.917 1.00 0.00 N ATOM 0 H ASN A 72 -0.990 -2.200 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.548 -2.036 -7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.114 -1.501 -6.031 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.035 -1.651 -7.775 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.656 1.751 -5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.336 0.415 -5.036 1.00 0.00 H new ATOM 1068 N GLY A 73 1.776 -4.372 -7.080 1.00 0.00 N ATOM 1069 CA GLY A 73 2.299 -5.617 -7.601 1.00 0.00 C ATOM 1070 C GLY A 73 3.261 -6.290 -6.621 1.00 0.00 C ATOM 1071 O GLY A 73 4.066 -7.102 -7.077 1.00 0.00 O ATOM 0 H GLY A 73 2.396 -3.962 -6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.473 -6.294 -7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.814 -5.428 -8.543 1.00 0.00 H new ATOM 1075 N GLN A 74 3.240 -5.942 -5.325 1.00 0.00 N ATOM 1076 CA GLN A 74 4.171 -6.451 -4.322 1.00 0.00 C ATOM 1077 C GLN A 74 3.386 -7.274 -3.303 1.00 0.00 C ATOM 1078 O GLN A 74 2.313 -6.852 -2.849 1.00 0.00 O ATOM 1079 CB GLN A 74 4.922 -5.286 -3.645 1.00 0.00 C ATOM 1080 CG GLN A 74 5.845 -4.505 -4.598 1.00 0.00 C ATOM 1081 CD GLN A 74 6.936 -5.389 -5.189 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.859 -5.785 -6.346 1.00 0.00 O ATOM 1083 NE2 GLN A 74 7.965 -5.742 -4.435 1.00 0.00 N ATOM 0 H GLN A 74 2.559 -5.285 -4.944 1.00 0.00 H new ATOM 0 HA GLN A 74 4.920 -7.087 -4.794 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.194 -4.598 -3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.516 -5.679 -2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.252 -4.074 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.303 -3.675 -4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.029 -5.412 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.694 -6.344 -4.817 1.00 0.00 H new ATOM 1092 N SER A 75 3.916 -8.444 -2.945 1.00 0.00 N ATOM 1093 CA SER A 75 3.367 -9.300 -1.911 1.00 0.00 C ATOM 1094 C SER A 75 3.628 -8.686 -0.542 1.00 0.00 C ATOM 1095 O SER A 75 4.751 -8.698 -0.046 1.00 0.00 O ATOM 1096 CB SER A 75 4.005 -10.696 -1.959 1.00 0.00 C ATOM 1097 OG SER A 75 3.278 -11.571 -2.794 1.00 0.00 O ATOM 0 H SER A 75 4.757 -8.825 -3.379 1.00 0.00 H new ATOM 0 HA SER A 75 2.295 -9.394 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.030 -10.616 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.053 -11.110 -0.952 1.00 0.00 H new ATOM 0 HG SER A 75 3.712 -12.450 -2.804 1.00 0.00 H new ATOM 1103 N ILE A 76 2.562 -8.222 0.094 1.00 0.00 N ATOM 1104 CA ILE A 76 2.559 -7.697 1.454 1.00 0.00 C ATOM 1105 C ILE A 76 2.637 -8.822 2.507 1.00 0.00 C ATOM 1106 O ILE A 76 2.954 -8.572 3.664 1.00 0.00 O ATOM 1107 CB ILE A 76 1.318 -6.787 1.613 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.003 -7.584 1.421 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.432 -5.617 0.614 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.279 -6.750 1.353 1.00 0.00 C ATOM 0 H ILE A 76 1.639 -8.200 -0.339 1.00 0.00 H new ATOM 0 HA ILE A 76 3.453 -7.099 1.630 1.00 0.00 H new ATOM 0 HB ILE A 76 1.287 -6.389 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.077 -8.167 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.099 -8.294 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.563 -4.967 0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.338 -5.048 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.476 -6.009 -0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.137 -7.408 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.396 -6.187 2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.217 -6.058 0.513 1.00 0.00 H new ATOM 1122 N ILE A 77 2.380 -10.078 2.128 1.00 0.00 N ATOM 1123 CA ILE A 77 2.101 -11.187 3.033 1.00 0.00 C ATOM 1124 C ILE A 77 3.201 -11.422 4.080 1.00 0.00 C ATOM 1125 O ILE A 77 2.873 -11.616 5.254 1.00 0.00 O ATOM 1126 CB ILE A 77 1.803 -12.456 2.201 1.00 0.00 C ATOM 1127 CG1 ILE A 77 0.644 -12.204 1.206 1.00 0.00 C ATOM 1128 CG2 ILE A 77 1.451 -13.648 3.109 1.00 0.00 C ATOM 1129 CD1 ILE A 77 1.119 -11.899 -0.216 1.00 0.00 C ATOM 0 H ILE A 77 2.361 -10.356 1.147 1.00 0.00 H new ATOM 0 HA ILE A 77 1.221 -10.925 3.621 1.00 0.00 H new ATOM 0 HB ILE A 77 2.707 -12.697 1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.004 -13.081 1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.041 -11.371 1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.247 -14.525 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.288 -13.858 3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.568 -13.406 3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.256 -11.733 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.743 -11.005 -0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.698 -12.741 -0.595 1.00 0.00 H new ATOM 1141 N ASN A 78 4.476 -11.449 3.685 1.00 0.00 N ATOM 1142 CA ASN A 78 5.600 -11.872 4.535 1.00 0.00 C ATOM 1143 C ASN A 78 6.560 -10.716 4.846 1.00 0.00 C ATOM 1144 O ASN A 78 7.585 -10.881 5.518 1.00 0.00 O ATOM 1145 CB ASN A 78 6.357 -13.009 3.843 1.00 0.00 C ATOM 1146 CG ASN A 78 5.489 -14.249 3.670 1.00 0.00 C ATOM 1147 OD1 ASN A 78 5.268 -15.002 4.614 1.00 0.00 O ATOM 1148 ND2 ASN A 78 4.972 -14.477 2.476 1.00 0.00 N ATOM 0 H ASN A 78 4.766 -11.172 2.747 1.00 0.00 H new ATOM 0 HA ASN A 78 5.191 -12.215 5.485 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.706 -12.671 2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.241 -13.264 4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.377 -15.291 2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.168 -13.839 1.705 1.00 0.00 H new ATOM 1155 N MET A 79 6.245 -9.555 4.299 1.00 0.00 N ATOM 1156 CA MET A 79 6.913 -8.287 4.350 1.00 0.00 C ATOM 1157 C MET A 79 6.823 -7.703 5.780 1.00 0.00 C ATOM 1158 O MET A 79 5.834 -7.946 6.481 1.00 0.00 O ATOM 1159 CB MET A 79 6.135 -7.488 3.293 1.00 0.00 C ATOM 1160 CG MET A 79 6.854 -6.285 2.738 1.00 0.00 C ATOM 1161 SD MET A 79 5.956 -5.527 1.356 1.00 0.00 S ATOM 1162 CE MET A 79 7.277 -4.561 0.590 1.00 0.00 C ATOM 0 H MET A 79 5.398 -9.483 3.735 1.00 0.00 H new ATOM 0 HA MET A 79 7.983 -8.301 4.142 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.886 -8.155 2.468 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.193 -7.158 3.731 1.00 0.00 H new ATOM 0 HG2 MET A 79 6.989 -5.548 3.529 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.849 -6.580 2.404 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.031 -4.372 -0.455 1.00 0.00 H new ATOM 0 HE2 MET A 79 7.384 -3.612 1.114 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.214 -5.115 0.648 1.00 0.00 H new ATOM 1172 N PRO A 80 7.834 -6.957 6.261 1.00 0.00 N ATOM 1173 CA PRO A 80 7.720 -6.160 7.484 1.00 0.00 C ATOM 1174 C PRO A 80 6.553 -5.176 7.355 1.00 0.00 C ATOM 1175 O PRO A 80 6.397 -4.582 6.288 1.00 0.00 O ATOM 1176 CB PRO A 80 9.048 -5.408 7.628 1.00 0.00 C ATOM 1177 CG PRO A 80 10.010 -6.090 6.655 1.00 0.00 C ATOM 1178 CD PRO A 80 9.126 -6.785 5.626 1.00 0.00 C ATOM 0 HA PRO A 80 7.527 -6.783 8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.929 -4.352 7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.421 -5.462 8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.668 -5.363 6.179 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.648 -6.807 7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.039 -6.187 4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.549 -7.746 5.334 1.00 0.00 H new ATOM 1186 N HIS A 81 5.766 -4.923 8.406 1.00 0.00 N ATOM 1187 CA HIS A 81 4.635 -4.007 8.242 1.00 0.00 C ATOM 1188 C HIS A 81 5.118 -2.580 7.969 1.00 0.00 C ATOM 1189 O HIS A 81 4.560 -1.901 7.114 1.00 0.00 O ATOM 1190 CB HIS A 81 3.619 -4.094 9.386 1.00 0.00 C ATOM 1191 CG HIS A 81 2.274 -3.519 8.999 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.445 -3.978 7.992 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.662 -2.432 9.568 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.366 -3.181 7.954 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.444 -2.233 8.904 1.00 0.00 N ATOM 0 H HIS A 81 5.882 -5.319 9.339 1.00 0.00 H new ATOM 0 HA HIS A 81 4.084 -4.331 7.359 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.496 -5.136 9.682 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.005 -3.560 10.254 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.049 -1.836 10.382 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.452 -3.287 7.257 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.248 -1.510 9.103 1.00 0.00 H new ATOM 1203 N ALA A 82 6.220 -2.151 8.586 1.00 0.00 N ATOM 1204 CA ALA A 82 6.864 -0.884 8.274 1.00 0.00 C ATOM 1205 C ALA A 82 7.273 -0.774 6.800 1.00 0.00 C ATOM 1206 O ALA A 82 7.277 0.335 6.268 1.00 0.00 O ATOM 1207 CB ALA A 82 8.101 -0.729 9.161 1.00 0.00 C ATOM 0 H ALA A 82 6.690 -2.680 9.320 1.00 0.00 H new ATOM 0 HA ALA A 82 6.143 -0.089 8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.593 0.217 8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.801 -0.743 10.209 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.791 -1.551 8.970 1.00 0.00 H new ATOM 1213 N ASP A 83 7.618 -1.882 6.145 1.00 0.00 N ATOM 1214 CA ASP A 83 7.977 -1.924 4.726 1.00 0.00 C ATOM 1215 C ASP A 83 6.712 -1.750 3.883 1.00 0.00 C ATOM 1216 O ASP A 83 6.653 -0.867 3.031 1.00 0.00 O ATOM 1217 CB ASP A 83 8.692 -3.252 4.435 1.00 0.00 C ATOM 1218 CG ASP A 83 9.326 -3.354 3.049 1.00 0.00 C ATOM 1219 OD1 ASP A 83 9.489 -2.334 2.342 1.00 0.00 O ATOM 1220 OD2 ASP A 83 9.767 -4.468 2.688 1.00 0.00 O ATOM 0 H ASP A 83 7.657 -2.796 6.595 1.00 0.00 H new ATOM 0 HA ASP A 83 8.658 -1.113 4.469 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.469 -3.401 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.976 -4.066 4.551 1.00 0.00 H new ATOM 1225 N ILE A 84 5.657 -2.509 4.200 1.00 0.00 N ATOM 1226 CA ILE A 84 4.330 -2.422 3.584 1.00 0.00 C ATOM 1227 C ILE A 84 3.762 -1.000 3.716 1.00 0.00 C ATOM 1228 O ILE A 84 3.061 -0.535 2.816 1.00 0.00 O ATOM 1229 CB ILE A 84 3.383 -3.436 4.275 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.867 -4.886 4.140 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.952 -3.379 3.739 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.209 -5.843 5.132 1.00 0.00 C ATOM 0 H ILE A 84 5.707 -3.229 4.921 1.00 0.00 H new ATOM 0 HA ILE A 84 4.414 -2.658 2.523 1.00 0.00 H new ATOM 0 HB ILE A 84 3.394 -3.136 5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.669 -5.234 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.947 -4.915 4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.338 -4.112 4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.543 -2.382 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.954 -3.603 2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.598 -6.850 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.428 -5.520 6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.130 -5.844 4.976 1.00 0.00 H new ATOM 1244 N VAL A 85 4.028 -0.308 4.823 1.00 0.00 N ATOM 1245 CA VAL A 85 3.590 1.058 5.057 1.00 0.00 C ATOM 1246 C VAL A 85 4.468 2.041 4.271 1.00 0.00 C ATOM 1247 O VAL A 85 3.950 2.995 3.683 1.00 0.00 O ATOM 1248 CB VAL A 85 3.551 1.292 6.573 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.391 2.761 6.952 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.403 0.509 7.235 1.00 0.00 C ATOM 0 H VAL A 85 4.567 -0.695 5.597 1.00 0.00 H new ATOM 0 HA VAL A 85 2.581 1.233 4.683 1.00 0.00 H new ATOM 0 HB VAL A 85 4.517 0.939 6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.371 2.857 8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.229 3.333 6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.459 3.145 6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.405 0.698 8.308 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.452 0.831 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.538 -0.557 7.054 1.00 0.00 H new ATOM 1260 N LYS A 86 5.786 1.821 4.196 1.00 0.00 N ATOM 1261 CA LYS A 86 6.656 2.644 3.353 1.00 0.00 C ATOM 1262 C LYS A 86 6.224 2.540 1.894 1.00 0.00 C ATOM 1263 O LYS A 86 6.213 3.562 1.221 1.00 0.00 O ATOM 1264 CB LYS A 86 8.122 2.209 3.496 1.00 0.00 C ATOM 1265 CG LYS A 86 9.068 3.408 3.323 1.00 0.00 C ATOM 1266 CD LYS A 86 10.543 3.024 3.149 1.00 0.00 C ATOM 1267 CE LYS A 86 11.094 2.181 4.305 1.00 0.00 C ATOM 1268 NZ LYS A 86 12.458 1.688 4.024 1.00 0.00 N ATOM 0 H LYS A 86 6.270 1.083 4.707 1.00 0.00 H new ATOM 0 HA LYS A 86 6.568 3.680 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.277 1.756 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.354 1.447 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.750 3.986 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.974 4.060 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.659 2.470 2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.138 3.932 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.104 2.778 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.432 1.334 4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.795 1.123 4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.444 1.098 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.096 2.496 3.877 1.00 0.00 H new ATOM 1282 N LEU A 87 5.816 1.357 1.432 1.00 0.00 N ATOM 1283 CA LEU A 87 5.268 1.063 0.122 1.00 0.00 C ATOM 1284 C LEU A 87 4.017 1.892 -0.193 1.00 0.00 C ATOM 1285 O LEU A 87 3.864 2.321 -1.337 1.00 0.00 O ATOM 1286 CB LEU A 87 4.933 -0.436 0.136 1.00 0.00 C ATOM 1287 CG LEU A 87 5.969 -1.450 -0.374 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.552 -2.045 -1.712 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.411 -0.950 -0.447 1.00 0.00 C ATOM 0 H LEU A 87 5.867 0.521 2.014 1.00 0.00 H new ATOM 0 HA LEU A 87 5.989 1.318 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.690 -0.706 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.026 -0.573 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 87 5.975 -2.222 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.307 -2.758 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.595 -2.555 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.455 -1.249 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.054 -1.747 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.466 -0.095 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.743 -0.651 0.547 1.00 0.00 H new ATOM 1301 N ILE A 88 3.128 2.130 0.782 1.00 0.00 N ATOM 1302 CA ILE A 88 1.970 3.004 0.605 1.00 0.00 C ATOM 1303 C ILE A 88 2.481 4.430 0.447 1.00 0.00 C ATOM 1304 O ILE A 88 2.018 5.174 -0.410 1.00 0.00 O ATOM 1305 CB ILE A 88 1.028 2.930 1.824 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.497 1.509 2.052 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.162 3.881 1.669 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.056 1.297 3.464 1.00 0.00 C ATOM 0 H ILE A 88 3.196 1.720 1.713 1.00 0.00 H new ATOM 0 HA ILE A 88 1.408 2.688 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 88 1.623 3.229 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.288 1.299 1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.299 0.794 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.806 3.804 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.200 4.905 1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.729 3.612 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.416 0.273 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.733 1.477 4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.879 1.990 3.640 1.00 0.00 H new ATOM 1320 N LYS A 89 3.414 4.843 1.304 1.00 0.00 N ATOM 1321 CA LYS A 89 3.910 6.207 1.274 1.00 0.00 C ATOM 1322 C LYS A 89 4.633 6.481 -0.053 1.00 0.00 C ATOM 1323 O LYS A 89 4.444 7.534 -0.659 1.00 0.00 O ATOM 1324 CB LYS A 89 4.798 6.452 2.503 1.00 0.00 C ATOM 1325 CG LYS A 89 4.501 7.839 3.074 1.00 0.00 C ATOM 1326 CD LYS A 89 5.712 8.443 3.781 1.00 0.00 C ATOM 1327 CE LYS A 89 5.406 9.900 4.177 1.00 0.00 C ATOM 1328 NZ LYS A 89 5.249 10.808 3.012 1.00 0.00 N ATOM 0 H LYS A 89 3.836 4.253 2.021 1.00 0.00 H new ATOM 0 HA LYS A 89 3.081 6.913 1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.612 5.688 3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.850 6.378 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.185 8.502 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.669 7.771 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.957 7.858 4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.583 8.409 3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.493 9.923 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.209 10.272 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.299 11.796 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.010 10.627 2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.328 10.637 2.560 1.00 0.00 H new ATOM 1342 N ASP A 90 5.401 5.504 -0.527 1.00 0.00 N ATOM 1343 CA ASP A 90 6.127 5.490 -1.795 1.00 0.00 C ATOM 1344 C ASP A 90 5.185 5.493 -3.000 1.00 0.00 C ATOM 1345 O ASP A 90 5.615 5.757 -4.119 1.00 0.00 O ATOM 1346 CB ASP A 90 7.029 4.249 -1.839 1.00 0.00 C ATOM 1347 CG ASP A 90 7.905 4.223 -3.091 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.681 5.183 -3.286 1.00 0.00 O ATOM 1349 OD2 ASP A 90 7.848 3.232 -3.854 1.00 0.00 O ATOM 0 H ASP A 90 5.543 4.642 -0.000 1.00 0.00 H new ATOM 0 HA ASP A 90 6.726 6.399 -1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.663 4.230 -0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.412 3.351 -1.809 1.00 0.00 H new ATOM 1354 N ALA A 91 3.887 5.267 -2.791 1.00 0.00 N ATOM 1355 CA ALA A 91 2.900 5.448 -3.840 1.00 0.00 C ATOM 1356 C ALA A 91 2.755 6.926 -4.253 1.00 0.00 C ATOM 1357 O ALA A 91 2.138 7.212 -5.276 1.00 0.00 O ATOM 1358 CB ALA A 91 1.572 4.863 -3.361 1.00 0.00 C ATOM 0 H ALA A 91 3.500 4.957 -1.899 1.00 0.00 H new ATOM 0 HA ALA A 91 3.230 4.922 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.817 4.990 -4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.698 3.802 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.252 5.380 -2.456 1.00 0.00 H new ATOM 1364 N GLY A 92 3.295 7.872 -3.472 1.00 0.00 N ATOM 1365 CA GLY A 92 3.228 9.297 -3.753 1.00 0.00 C ATOM 1366 C GLY A 92 1.812 9.785 -3.498 1.00 0.00 C ATOM 1367 O GLY A 92 1.479 10.162 -2.368 1.00 0.00 O ATOM 0 H GLY A 92 3.799 7.655 -2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.932 9.839 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.513 9.491 -4.787 1.00 0.00 H new ATOM 1371 N LEU A 93 0.975 9.739 -4.532 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.446 10.070 -4.490 1.00 0.00 C ATOM 1373 C LEU A 93 -1.296 8.939 -5.029 1.00 0.00 C ATOM 1374 O LEU A 93 -2.422 8.789 -4.568 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.790 11.285 -5.355 1.00 0.00 C ATOM 1376 CG LEU A 93 0.000 12.544 -5.056 1.00 0.00 C ATOM 1377 CD1 LEU A 93 -0.347 13.661 -6.046 1.00 0.00 C ATOM 1378 CD2 LEU A 93 -0.249 13.049 -3.636 1.00 0.00 C ATOM 0 H LEU A 93 1.283 9.457 -5.463 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.653 10.269 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.635 11.020 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.851 11.506 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 93 1.053 12.279 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.234 14.552 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.112 13.335 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.410 13.892 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.336 13.952 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.308 13.273 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.047 12.282 -2.920 1.00 0.00 H new ATOM 1390 N SER A 94 -0.813 8.206 -6.028 1.00 0.00 N ATOM 1391 CA SER A 94 -1.589 7.107 -6.612 1.00 0.00 C ATOM 1392 C SER A 94 -1.104 5.772 -6.061 1.00 0.00 C ATOM 1393 O SER A 94 0.046 5.410 -6.286 1.00 0.00 O ATOM 1394 CB SER A 94 -1.539 7.094 -8.148 1.00 0.00 C ATOM 1395 OG SER A 94 -0.739 8.127 -8.714 1.00 0.00 O ATOM 0 H SER A 94 0.105 8.348 -6.450 1.00 0.00 H new ATOM 0 HA SER A 94 -2.629 7.267 -6.329 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.155 6.129 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.554 7.183 -8.534 1.00 0.00 H new ATOM 0 HG SER A 94 -0.754 8.054 -9.691 1.00 0.00 H new ATOM 1401 N VAL A 95 -1.980 4.993 -5.433 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.720 3.635 -4.964 1.00 0.00 C ATOM 1403 C VAL A 95 -2.771 2.740 -5.597 1.00 0.00 C ATOM 1404 O VAL A 95 -3.907 3.189 -5.748 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.771 3.583 -3.420 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.161 3.853 -2.813 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.265 2.236 -2.895 1.00 0.00 C ATOM 0 H VAL A 95 -2.930 5.303 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.725 3.296 -5.252 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.118 4.396 -3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.101 3.796 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.499 4.847 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.868 3.107 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.313 2.229 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.888 1.434 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.234 2.085 -3.214 1.00 0.00 H new ATOM 1417 N THR A 96 -2.426 1.487 -5.888 1.00 0.00 N ATOM 1418 CA THR A 96 -3.340 0.480 -6.374 1.00 0.00 C ATOM 1419 C THR A 96 -3.355 -0.662 -5.355 1.00 0.00 C ATOM 1420 O THR A 96 -2.310 -1.040 -4.819 1.00 0.00 O ATOM 1421 CB THR A 96 -2.921 0.069 -7.793 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.645 1.217 -8.572 1.00 0.00 O ATOM 1423 CG2 THR A 96 -4.049 -0.680 -8.483 1.00 0.00 C ATOM 0 H THR A 96 -1.471 1.144 -5.786 1.00 0.00 H new ATOM 0 HA THR A 96 -4.364 0.842 -6.463 1.00 0.00 H new ATOM 0 HB THR A 96 -2.037 -0.563 -7.706 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.377 0.944 -9.474 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.736 -0.964 -9.488 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.294 -1.576 -7.912 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.928 -0.038 -8.545 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.544 -1.168 -5.026 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.772 -2.203 -4.022 1.00 0.00 C ATOM 1433 C LEU A 97 -5.540 -3.343 -4.676 1.00 0.00 C ATOM 1434 O LEU A 97 -6.698 -3.179 -5.064 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.505 -1.608 -2.802 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.553 -0.743 -1.948 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.329 0.226 -1.058 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.648 -1.602 -1.054 1.00 0.00 C ATOM 0 H LEU A 97 -5.407 -0.855 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.828 -2.599 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.347 -1.003 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.915 -2.413 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.937 -0.184 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.629 0.820 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.933 0.887 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.980 -0.337 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.994 -0.955 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.263 -2.199 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.044 -2.263 -1.676 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.871 -4.487 -4.851 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.464 -5.695 -5.402 1.00 0.00 C ATOM 1452 C ARG A 98 -6.314 -6.417 -4.361 1.00 0.00 C ATOM 1453 O ARG A 98 -5.748 -7.002 -3.428 1.00 0.00 O ATOM 1454 CB ARG A 98 -4.366 -6.592 -5.965 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.934 -7.770 -6.765 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.842 -8.336 -7.665 1.00 0.00 C ATOM 1457 NE ARG A 98 -3.592 -7.445 -8.804 1.00 0.00 N ATOM 1458 CZ ARG A 98 -2.580 -7.516 -9.668 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -1.715 -8.526 -9.648 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -2.448 -6.535 -10.542 1.00 0.00 N ATOM 0 H ARG A 98 -3.886 -4.594 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.135 -5.424 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.710 -6.002 -6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.754 -6.972 -5.147 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.301 -8.542 -6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.783 -7.442 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.924 -8.468 -7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.136 -9.321 -8.026 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.264 -6.692 -8.950 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.817 -9.271 -8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.949 -8.555 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.109 -5.758 -10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.685 -6.554 -11.219 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.638 -6.370 -4.478 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.571 -6.943 -3.504 1.00 0.00 C ATOM 1476 C ILE A 99 -9.298 -8.153 -4.101 1.00 0.00 C ATOM 1477 O ILE A 99 -9.221 -8.387 -5.310 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.513 -5.850 -2.949 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -10.475 -5.257 -3.999 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.689 -4.713 -2.321 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.799 -6.029 -4.109 1.00 0.00 C ATOM 0 H ILE A 99 -8.105 -5.924 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.019 -7.324 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.132 -6.344 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.687 -4.219 -3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.983 -5.251 -4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.361 -3.948 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.082 -5.110 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.038 -4.274 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.431 -5.562 -4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.596 -7.061 -4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -12.311 -6.013 -3.147 1.00 0.00 H new ATOM 1493 N ILE A 100 -10.009 -8.924 -3.268 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.834 -10.047 -3.706 1.00 0.00 C ATOM 1495 C ILE A 100 -12.277 -9.548 -3.908 1.00 0.00 C ATOM 1496 O ILE A 100 -12.869 -9.069 -2.933 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.758 -11.216 -2.704 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -9.308 -11.726 -2.556 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.637 -12.375 -3.192 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -8.703 -11.331 -1.206 1.00 0.00 C ATOM 0 H ILE A 100 -10.025 -8.780 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.460 -10.434 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.109 -10.853 -1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.292 -12.811 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.696 -11.321 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.580 -13.199 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.670 -12.038 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.286 -12.712 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.682 -11.708 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.695 -10.245 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.300 -11.758 -0.401 1.00 0.00 H new ATOM 1512 N PRO A 101 -12.838 -9.616 -5.129 1.00 0.00 N ATOM 1513 CA PRO A 101 -14.229 -9.277 -5.410 1.00 0.00 C ATOM 1514 C PRO A 101 -15.199 -10.354 -4.921 1.00 0.00 C ATOM 1515 O PRO A 101 -14.862 -11.206 -4.092 1.00 0.00 O ATOM 1516 CB PRO A 101 -14.282 -9.047 -6.929 1.00 0.00 C ATOM 1517 CG PRO A 101 -13.072 -9.784 -7.510 1.00 0.00 C ATOM 1518 CD PRO A 101 -12.199 -10.160 -6.316 1.00 0.00 C ATOM 0 HA PRO A 101 -14.551 -8.386 -4.871 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.211 -9.431 -7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.241 -7.983 -7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.383 -10.671 -8.061 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.526 -9.149 -8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.100 -11.243 -6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.194 -9.755 -6.432 1.00 0.00 H new ATOM 1526 N GLN A 102 -16.460 -10.230 -5.327 1.00 0.00 N ATOM 1527 CA GLN A 102 -17.559 -11.066 -4.907 1.00 0.00 C ATOM 1528 C GLN A 102 -18.644 -11.029 -5.982 1.00 0.00 C ATOM 1529 O GLN A 102 -18.769 -10.038 -6.709 1.00 0.00 O ATOM 1530 CB GLN A 102 -18.065 -10.561 -3.548 1.00 0.00 C ATOM 1531 CG GLN A 102 -18.546 -9.096 -3.488 1.00 0.00 C ATOM 1532 CD GLN A 102 -17.481 -8.131 -2.973 1.00 0.00 C ATOM 1533 OE1 GLN A 102 -16.604 -7.674 -3.697 1.00 0.00 O ATOM 1534 NE2 GLN A 102 -17.541 -7.776 -1.701 1.00 0.00 N ATOM 0 H GLN A 102 -16.747 -9.508 -5.988 1.00 0.00 H new ATOM 0 HA GLN A 102 -17.249 -12.104 -4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -18.888 -11.202 -3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -17.264 -10.686 -2.819 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -18.859 -8.783 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -19.423 -9.035 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.271 -8.157 -1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -16.857 -7.121 -1.321 1.00 0.00 H new ATOM 1543 N GLU A 103 -19.447 -12.085 -6.061 1.00 0.00 N ATOM 1544 CA GLU A 103 -20.472 -12.269 -7.087 1.00 0.00 C ATOM 1545 C GLU A 103 -21.704 -12.988 -6.513 1.00 0.00 C ATOM 1546 O GLU A 103 -22.512 -13.552 -7.247 1.00 0.00 O ATOM 1547 CB GLU A 103 -19.829 -13.002 -8.275 1.00 0.00 C ATOM 1548 CG GLU A 103 -19.266 -14.393 -7.926 1.00 0.00 C ATOM 1549 CD GLU A 103 -17.956 -14.671 -8.660 1.00 0.00 C ATOM 1550 OE1 GLU A 103 -17.896 -14.487 -9.893 1.00 0.00 O ATOM 1551 OE2 GLU A 103 -16.965 -15.119 -8.036 1.00 0.00 O ATOM 0 H GLU A 103 -19.403 -12.858 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.845 -11.308 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -20.571 -13.110 -9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -19.024 -12.386 -8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.102 -14.460 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.998 -15.158 -8.185 1.00 0.00 H new ATOM 1558 N GLU A 104 -21.845 -12.998 -5.187 1.00 0.00 N ATOM 1559 CA GLU A 104 -22.755 -13.879 -4.446 1.00 0.00 C ATOM 1560 C GLU A 104 -23.258 -13.262 -3.140 1.00 0.00 C ATOM 1561 O GLU A 104 -24.403 -13.440 -2.724 1.00 0.00 O ATOM 1562 CB GLU A 104 -22.030 -15.217 -4.214 1.00 0.00 C ATOM 1563 CG GLU A 104 -20.841 -15.080 -3.248 1.00 0.00 C ATOM 1564 CD GLU A 104 -19.702 -16.049 -3.547 1.00 0.00 C ATOM 1565 OE1 GLU A 104 -18.990 -15.824 -4.544 1.00 0.00 O ATOM 1566 OE2 GLU A 104 -19.399 -16.928 -2.707 1.00 0.00 O ATOM 0 H GLU A 104 -21.314 -12.375 -4.578 1.00 0.00 H new ATOM 0 HA GLU A 104 -23.657 -14.038 -5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -22.736 -15.945 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -21.676 -15.606 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -20.461 -14.059 -3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -21.190 -15.245 -2.229 1.00 0.00 H new ATOM 1573 N LEU A 105 -22.392 -12.463 -2.539 1.00 0.00 N ATOM 1574 CA LEU A 105 -22.637 -11.636 -1.370 1.00 0.00 C ATOM 1575 C LEU A 105 -23.625 -10.561 -1.813 1.00 0.00 C ATOM 1576 O LEU A 105 -23.324 -9.754 -2.698 1.00 0.00 O ATOM 1577 CB LEU A 105 -21.309 -11.066 -0.835 1.00 0.00 C ATOM 1578 CG LEU A 105 -20.443 -12.127 -0.122 1.00 0.00 C ATOM 1579 CD1 LEU A 105 -19.000 -11.634 0.020 1.00 0.00 C ATOM 1580 CD2 LEU A 105 -20.988 -12.456 1.271 1.00 0.00 C ATOM 0 H LEU A 105 -21.435 -12.369 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 105 -23.063 -12.198 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -20.743 -10.639 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -21.522 -10.252 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 105 -20.472 -13.028 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -18.404 -12.394 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -18.582 -11.442 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -18.986 -10.714 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -20.353 -13.206 1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -20.997 -11.553 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -22.003 -12.844 1.182 1.00 0.00 H new ATOM 1592 N ASN A 106 -24.854 -10.650 -1.320 1.00 0.00 N ATOM 1593 CA ASN A 106 -25.993 -9.800 -1.644 1.00 0.00 C ATOM 1594 C ASN A 106 -27.008 -10.013 -0.526 1.00 0.00 C ATOM 1595 O ASN A 106 -27.009 -11.103 0.053 1.00 0.00 O ATOM 1596 CB ASN A 106 -26.623 -10.250 -2.977 1.00 0.00 C ATOM 1597 CG ASN A 106 -27.341 -9.099 -3.663 1.00 0.00 C ATOM 1598 OD1 ASN A 106 -26.769 -8.452 -4.536 1.00 0.00 O ATOM 1599 ND2 ASN A 106 -28.566 -8.790 -3.288 1.00 0.00 N ATOM 0 H ASN A 106 -25.098 -11.367 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 106 -25.692 -8.757 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -25.847 -10.642 -3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -27.326 -11.063 -2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -29.050 -8.005 -3.724 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -29.030 -9.336 -2.562 1.00 0.00 H new ATOM 1606 N SER A 107 -27.911 -9.069 -0.257 1.00 0.00 N ATOM 1607 CA SER A 107 -28.989 -9.294 0.699 1.00 0.00 C ATOM 1608 C SER A 107 -30.242 -8.508 0.282 1.00 0.00 C ATOM 1609 O SER A 107 -30.106 -7.458 -0.355 1.00 0.00 O ATOM 1610 CB SER A 107 -28.499 -8.910 2.104 1.00 0.00 C ATOM 1611 OG SER A 107 -29.104 -9.740 3.077 1.00 0.00 O ATOM 0 H SER A 107 -27.915 -8.145 -0.688 1.00 0.00 H new ATOM 0 HA SER A 107 -29.268 -10.348 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 107 -27.415 -9.006 2.157 1.00 0.00 H new ATOM 0 HB3 SER A 107 -28.737 -7.866 2.307 1.00 0.00 H new ATOM 0 HG SER A 107 -28.783 -9.487 3.968 1.00 0.00 H new ATOM 1617 N PRO A 108 -31.456 -8.998 0.602 1.00 0.00 N ATOM 1618 CA PRO A 108 -32.724 -8.358 0.250 1.00 0.00 C ATOM 1619 C PRO A 108 -33.273 -7.416 1.343 1.00 0.00 C ATOM 1620 O PRO A 108 -34.340 -6.826 1.136 1.00 0.00 O ATOM 1621 CB PRO A 108 -33.669 -9.543 0.028 1.00 0.00 C ATOM 1622 CG PRO A 108 -33.225 -10.531 1.104 1.00 0.00 C ATOM 1623 CD PRO A 108 -31.713 -10.334 1.135 1.00 0.00 C ATOM 0 HA PRO A 108 -32.609 -7.709 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -34.714 -9.256 0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -33.566 -9.961 -0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -33.682 -10.312 2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -33.495 -11.556 0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -31.331 -10.426 2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -31.211 -11.094 0.536 1.00 0.00 H new ATOM 1631 N SER A 109 -32.580 -7.306 2.484 1.00 0.00 N ATOM 1632 CA SER A 109 -32.897 -6.623 3.742 1.00 0.00 C ATOM 1633 C SER A 109 -34.221 -5.841 3.772 1.00 0.00 C ATOM 1634 O SER A 109 -34.250 -4.615 3.613 1.00 0.00 O ATOM 1635 CB SER A 109 -31.699 -5.757 4.141 1.00 0.00 C ATOM 1636 OG SER A 109 -30.496 -6.507 4.085 1.00 0.00 O ATOM 0 H SER A 109 -31.666 -7.753 2.553 1.00 0.00 H new ATOM 0 HA SER A 109 -33.074 -7.403 4.483 1.00 0.00 H new ATOM 0 HB2 SER A 109 -31.628 -4.897 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 109 -31.845 -5.369 5.149 1.00 0.00 H new ATOM 0 HG SER A 109 -29.742 -5.936 4.342 1.00 0.00 H new ATOM 1642 N GLY A 110 -35.323 -6.556 3.993 1.00 0.00 N ATOM 1643 CA GLY A 110 -36.661 -6.021 4.224 1.00 0.00 C ATOM 1644 C GLY A 110 -36.964 -5.935 5.724 1.00 0.00 C ATOM 1645 O GLY A 110 -36.098 -6.264 6.548 1.00 0.00 O ATOM 0 H GLY A 110 -35.304 -7.576 4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -36.744 -5.031 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -37.400 -6.656 3.735 1.00 0.00 H new ATOM 1649 N PRO A 111 -38.181 -5.521 6.110 1.00 0.00 N ATOM 1650 CA PRO A 111 -38.609 -5.549 7.502 1.00 0.00 C ATOM 1651 C PRO A 111 -38.767 -6.999 7.980 1.00 0.00 C ATOM 1652 O PRO A 111 -38.796 -7.940 7.180 1.00 0.00 O ATOM 1653 CB PRO A 111 -39.934 -4.789 7.520 1.00 0.00 C ATOM 1654 CG PRO A 111 -40.517 -5.073 6.137 1.00 0.00 C ATOM 1655 CD PRO A 111 -39.281 -5.132 5.241 1.00 0.00 C ATOM 0 HA PRO A 111 -37.886 -5.092 8.178 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -40.591 -5.143 8.315 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -39.784 -3.722 7.683 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -41.072 -6.011 6.119 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -41.206 -4.289 5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -39.416 -5.853 4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -39.089 -4.165 4.775 1.00 0.00 H new ATOM 1663 N SER A 112 -38.870 -7.190 9.293 1.00 0.00 N ATOM 1664 CA SER A 112 -39.113 -8.487 9.906 1.00 0.00 C ATOM 1665 C SER A 112 -39.646 -8.280 11.325 1.00 0.00 C ATOM 1666 O SER A 112 -39.598 -7.163 11.859 1.00 0.00 O ATOM 1667 CB SER A 112 -37.811 -9.307 9.899 1.00 0.00 C ATOM 1668 OG SER A 112 -36.722 -8.559 10.421 1.00 0.00 O ATOM 0 H SER A 112 -38.785 -6.432 9.970 1.00 0.00 H new ATOM 0 HA SER A 112 -39.861 -9.043 9.341 1.00 0.00 H new ATOM 0 HB2 SER A 112 -37.947 -10.213 10.489 1.00 0.00 H new ATOM 0 HB3 SER A 112 -37.583 -9.621 8.880 1.00 0.00 H new ATOM 0 HG SER A 112 -35.910 -9.108 10.405 1.00 0.00 H new ATOM 1674 N SER A 113 -40.062 -9.373 11.968 1.00 0.00 N ATOM 1675 CA SER A 113 -40.729 -9.439 13.266 1.00 0.00 C ATOM 1676 C SER A 113 -42.003 -8.572 13.322 1.00 0.00 C ATOM 1677 O SER A 113 -42.523 -8.147 12.285 1.00 0.00 O ATOM 1678 CB SER A 113 -39.715 -9.266 14.414 1.00 0.00 C ATOM 1679 OG SER A 113 -39.012 -8.046 14.310 1.00 0.00 O ATOM 0 H SER A 113 -39.931 -10.301 11.565 1.00 0.00 H new ATOM 0 HA SER A 113 -41.130 -10.441 13.416 1.00 0.00 H new ATOM 0 HB2 SER A 113 -40.237 -9.305 15.370 1.00 0.00 H new ATOM 0 HB3 SER A 113 -39.008 -10.096 14.403 1.00 0.00 H new ATOM 0 HG SER A 113 -39.424 -7.489 13.617 1.00 0.00 H new ATOM 1685 N GLY A 114 -42.605 -8.451 14.503 1.00 0.00 N ATOM 1686 CA GLY A 114 -43.712 -9.344 14.764 1.00 0.00 C ATOM 1687 C GLY A 114 -43.023 -10.495 15.453 1.00 0.00 C ATOM 1688 O GLY A 114 -42.796 -11.542 14.815 1.00 0.00 O ATOM 0 H GLY A 114 -42.363 -7.791 15.242 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -44.469 -8.882 15.398 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -44.211 -9.656 13.846 1.00 0.00 H new TER 1692 GLY A 114