USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.61 K(o=-0.61,f=-0.03) USER MOD Set 2.1: A 46 CYS SG : rot -86:sc= -0.194 USER MOD Set 2.2: A 48 THR OG1 : rot 111:sc= 0.517 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 35:sc= 0.327 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -118:sc= 0.327 (180deg=-0.387) USER MOD Single : A 18 HIS : no HD1:sc= -3.75! C(o=-3.7!,f=-3.5!) USER MOD Single : A 20 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.3) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00297 USER MOD Single : A 30 GLN : amide:sc= -5.41! C(o=-5.4!,f=-11!) USER MOD Single : A 33 TYR OH : rot 165:sc= 0.96 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.332 K(o=-0.33,f=-2.3!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.047) USER MOD Single : A 47 ASN : amide:sc= -0.735 X(o=-0.73,f=-0.41) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0339) USER MOD Single : A 60 GLN : amide:sc= -0.449 K(o=-0.45,f=-1.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -120:sc= -0.817 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 77 MET CE :methyl 175:sc= -0.068 (180deg=-0.0902) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot -140:sc= -0.951 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.99! C(o=-2!,f=-6.2!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -134:sc= -0.305 (180deg=-1.31!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.961 23.279 -28.519 1.00 0.00 N ATOM 2 CA GLY A 1 -13.127 24.133 -28.388 1.00 0.00 C ATOM 3 C GLY A 1 -13.474 24.423 -26.941 1.00 0.00 C ATOM 4 O GLY A 1 -13.153 25.491 -26.420 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.765 23.111 -29.526 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.140 23.742 -28.080 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.141 22.371 -28.045 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.946 25.072 -28.910 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.979 23.657 -28.874 1.00 0.00 H new ATOM 8 N SER A 2 -14.133 23.469 -26.290 1.00 0.00 N ATOM 9 CA SER A 2 -14.529 23.629 -24.896 1.00 0.00 C ATOM 10 C SER A 2 -13.442 23.111 -23.959 1.00 0.00 C ATOM 11 O SER A 2 -13.283 21.903 -23.784 1.00 0.00 O ATOM 12 CB SER A 2 -15.843 22.892 -24.629 1.00 0.00 C ATOM 13 OG SER A 2 -16.892 23.412 -25.427 1.00 0.00 O ATOM 0 H SER A 2 -14.404 22.578 -26.706 1.00 0.00 H new ATOM 0 HA SER A 2 -14.672 24.692 -24.705 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.716 21.830 -24.837 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.106 22.981 -23.575 1.00 0.00 H new ATOM 0 HG SER A 2 -17.720 22.923 -25.238 1.00 0.00 H new ATOM 19 N SER A 3 -12.697 24.034 -23.360 1.00 0.00 N ATOM 20 CA SER A 3 -11.621 23.671 -22.444 1.00 0.00 C ATOM 21 C SER A 3 -11.915 24.177 -21.035 1.00 0.00 C ATOM 22 O SER A 3 -11.768 25.364 -20.746 1.00 0.00 O ATOM 23 CB SER A 3 -10.290 24.241 -22.936 1.00 0.00 C ATOM 24 OG SER A 3 -9.206 23.734 -22.177 1.00 0.00 O ATOM 0 H SER A 3 -12.818 25.038 -23.492 1.00 0.00 H new ATOM 0 HA SER A 3 -11.553 22.584 -22.414 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.150 23.991 -23.988 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.309 25.329 -22.867 1.00 0.00 H new ATOM 0 HG SER A 3 -8.367 24.112 -22.512 1.00 0.00 H new ATOM 30 N GLY A 4 -12.331 23.266 -20.160 1.00 0.00 N ATOM 31 CA GLY A 4 -12.638 23.638 -18.791 1.00 0.00 C ATOM 32 C GLY A 4 -12.672 22.443 -17.860 1.00 0.00 C ATOM 33 O GLY A 4 -13.710 22.133 -17.274 1.00 0.00 O ATOM 0 H GLY A 4 -12.461 22.277 -20.375 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.894 24.351 -18.436 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.603 24.144 -18.763 1.00 0.00 H new ATOM 37 N SER A 5 -11.535 21.768 -17.723 1.00 0.00 N ATOM 38 CA SER A 5 -11.440 20.597 -16.860 1.00 0.00 C ATOM 39 C SER A 5 -11.050 20.998 -15.440 1.00 0.00 C ATOM 40 O SER A 5 -10.005 21.610 -15.221 1.00 0.00 O ATOM 41 CB SER A 5 -10.419 19.606 -17.420 1.00 0.00 C ATOM 42 OG SER A 5 -9.148 20.214 -17.572 1.00 0.00 O ATOM 0 H SER A 5 -10.667 22.012 -18.199 1.00 0.00 H new ATOM 0 HA SER A 5 -12.420 20.120 -16.828 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.337 18.747 -16.753 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.763 19.230 -18.383 1.00 0.00 H new ATOM 0 HG SER A 5 -9.005 20.858 -16.847 1.00 0.00 H new ATOM 48 N SER A 6 -11.899 20.648 -14.479 1.00 0.00 N ATOM 49 CA SER A 6 -11.647 20.974 -13.080 1.00 0.00 C ATOM 50 C SER A 6 -12.410 20.031 -12.156 1.00 0.00 C ATOM 51 O SER A 6 -13.526 19.612 -12.462 1.00 0.00 O ATOM 52 CB SER A 6 -12.046 22.423 -12.792 1.00 0.00 C ATOM 53 OG SER A 6 -13.425 22.631 -13.044 1.00 0.00 O ATOM 0 H SER A 6 -12.767 20.139 -14.644 1.00 0.00 H new ATOM 0 HA SER A 6 -10.580 20.854 -12.891 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.822 22.666 -11.753 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.454 23.097 -13.412 1.00 0.00 H new ATOM 0 HG SER A 6 -13.656 23.564 -12.851 1.00 0.00 H new ATOM 59 N GLY A 7 -11.800 19.700 -11.022 1.00 0.00 N ATOM 60 CA GLY A 7 -12.436 18.809 -10.070 1.00 0.00 C ATOM 61 C GLY A 7 -11.694 17.495 -9.920 1.00 0.00 C ATOM 62 O GLY A 7 -12.275 16.423 -10.088 1.00 0.00 O ATOM 0 H GLY A 7 -10.876 20.033 -10.746 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.496 19.302 -9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.459 18.611 -10.390 1.00 0.00 H new ATOM 66 N LEU A 8 -10.406 17.578 -9.606 1.00 0.00 N ATOM 67 CA LEU A 8 -9.582 16.386 -9.435 1.00 0.00 C ATOM 68 C LEU A 8 -9.651 15.878 -7.999 1.00 0.00 C ATOM 69 O LEU A 8 -10.002 14.724 -7.755 1.00 0.00 O ATOM 70 CB LEU A 8 -8.130 16.688 -9.812 1.00 0.00 C ATOM 71 CG LEU A 8 -7.324 15.515 -10.371 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.288 14.368 -9.373 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.908 15.051 -11.698 1.00 0.00 C ATOM 0 H LEU A 8 -9.910 18.458 -9.465 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.969 15.609 -10.095 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.127 17.490 -10.550 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.617 17.067 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.302 15.851 -10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.710 13.542 -9.788 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.824 14.706 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.304 14.032 -9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.322 14.216 -12.081 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.940 14.733 -11.550 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.881 15.872 -12.414 1.00 0.00 H new ATOM 85 N ALA A 9 -9.316 16.747 -7.052 1.00 0.00 N ATOM 86 CA ALA A 9 -9.344 16.387 -5.640 1.00 0.00 C ATOM 87 C ALA A 9 -10.637 15.662 -5.284 1.00 0.00 C ATOM 88 O ALA A 9 -10.611 14.576 -4.707 1.00 0.00 O ATOM 89 CB ALA A 9 -9.177 17.628 -4.775 1.00 0.00 C ATOM 0 H ALA A 9 -9.022 17.706 -7.237 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.513 15.709 -5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.200 17.344 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.223 18.104 -5.002 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.988 18.326 -4.980 1.00 0.00 H new ATOM 95 N GLU A 10 -11.767 16.271 -5.631 1.00 0.00 N ATOM 96 CA GLU A 10 -13.070 15.682 -5.346 1.00 0.00 C ATOM 97 C GLU A 10 -13.043 14.172 -5.559 1.00 0.00 C ATOM 98 O GLU A 10 -13.683 13.418 -4.824 1.00 0.00 O ATOM 99 CB GLU A 10 -14.145 16.314 -6.233 1.00 0.00 C ATOM 100 CG GLU A 10 -13.802 16.294 -7.713 1.00 0.00 C ATOM 101 CD GLU A 10 -15.033 16.342 -8.598 1.00 0.00 C ATOM 102 OE1 GLU A 10 -16.050 15.717 -8.234 1.00 0.00 O ATOM 103 OE2 GLU A 10 -14.977 17.005 -9.655 1.00 0.00 O ATOM 0 H GLU A 10 -11.806 17.171 -6.109 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.309 15.880 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.087 15.787 -6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.303 17.346 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.159 17.143 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.232 15.392 -7.938 1.00 0.00 H new ATOM 110 N LEU A 11 -12.299 13.736 -6.569 1.00 0.00 N ATOM 111 CA LEU A 11 -12.187 12.315 -6.880 1.00 0.00 C ATOM 112 C LEU A 11 -11.240 11.617 -5.910 1.00 0.00 C ATOM 113 O LEU A 11 -11.537 10.534 -5.406 1.00 0.00 O ATOM 114 CB LEU A 11 -11.696 12.124 -8.316 1.00 0.00 C ATOM 115 CG LEU A 11 -12.779 12.073 -9.395 1.00 0.00 C ATOM 116 CD1 LEU A 11 -13.877 11.096 -9.003 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.357 13.459 -9.637 1.00 0.00 C ATOM 0 H LEU A 11 -11.764 14.346 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.176 11.868 -6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.011 12.937 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.121 11.199 -8.362 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.325 11.724 -10.322 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.639 11.073 -9.782 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.451 10.100 -8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.329 11.414 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.126 13.403 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.796 13.837 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.564 14.132 -9.964 1.00 0.00 H new ATOM 129 N PHE A 12 -10.098 12.246 -5.650 1.00 0.00 N ATOM 130 CA PHE A 12 -9.107 11.687 -4.739 1.00 0.00 C ATOM 131 C PHE A 12 -9.763 11.219 -3.443 1.00 0.00 C ATOM 132 O PHE A 12 -9.342 10.230 -2.844 1.00 0.00 O ATOM 133 CB PHE A 12 -8.024 12.723 -4.430 1.00 0.00 C ATOM 134 CG PHE A 12 -7.025 12.260 -3.409 1.00 0.00 C ATOM 135 CD1 PHE A 12 -6.044 11.342 -3.747 1.00 0.00 C ATOM 136 CD2 PHE A 12 -7.068 12.742 -2.111 1.00 0.00 C ATOM 137 CE1 PHE A 12 -5.123 10.914 -2.810 1.00 0.00 C ATOM 138 CE2 PHE A 12 -6.149 12.318 -1.170 1.00 0.00 C ATOM 139 CZ PHE A 12 -5.176 11.402 -1.519 1.00 0.00 C ATOM 0 H PHE A 12 -9.837 13.144 -6.058 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.648 10.826 -5.226 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.499 12.974 -5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.498 13.637 -4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.999 10.956 -4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.828 13.457 -1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.363 10.199 -3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.192 12.703 -0.162 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.458 11.068 -0.784 1.00 0.00 H new ATOM 149 N GLU A 13 -10.796 11.938 -3.016 1.00 0.00 N ATOM 150 CA GLU A 13 -11.509 11.598 -1.791 1.00 0.00 C ATOM 151 C GLU A 13 -12.354 10.341 -1.984 1.00 0.00 C ATOM 152 O GLU A 13 -12.251 9.385 -1.215 1.00 0.00 O ATOM 153 CB GLU A 13 -12.400 12.762 -1.352 1.00 0.00 C ATOM 154 CG GLU A 13 -11.623 13.996 -0.925 1.00 0.00 C ATOM 155 CD GLU A 13 -11.181 13.934 0.524 1.00 0.00 C ATOM 156 OE1 GLU A 13 -12.047 14.071 1.414 1.00 0.00 O ATOM 157 OE2 GLU A 13 -9.971 13.749 0.768 1.00 0.00 O ATOM 0 H GLU A 13 -11.158 12.760 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.770 11.403 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.066 13.028 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.029 12.435 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.747 14.108 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.242 14.881 -1.075 1.00 0.00 H new ATOM 164 N LYS A 14 -13.190 10.350 -3.017 1.00 0.00 N ATOM 165 CA LYS A 14 -14.052 9.213 -3.313 1.00 0.00 C ATOM 166 C LYS A 14 -13.229 7.948 -3.533 1.00 0.00 C ATOM 167 O LYS A 14 -13.460 6.926 -2.888 1.00 0.00 O ATOM 168 CB LYS A 14 -14.904 9.502 -4.552 1.00 0.00 C ATOM 169 CG LYS A 14 -16.122 10.363 -4.266 1.00 0.00 C ATOM 170 CD LYS A 14 -16.758 10.873 -5.548 1.00 0.00 C ATOM 171 CE LYS A 14 -16.148 12.197 -5.984 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.574 13.320 -5.103 1.00 0.00 N ATOM 0 H LYS A 14 -13.288 11.133 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.708 9.054 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.286 9.999 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.231 8.557 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.853 9.784 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.833 11.208 -3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.629 10.134 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.831 10.997 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.061 12.118 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.440 12.411 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.103 14.019 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.182 12.954 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.735 13.773 -4.688 1.00 0.00 H new ATOM 186 N ALA A 15 -12.266 8.025 -4.446 1.00 0.00 N ATOM 187 CA ALA A 15 -11.406 6.888 -4.748 1.00 0.00 C ATOM 188 C ALA A 15 -10.856 6.262 -3.471 1.00 0.00 C ATOM 189 O ALA A 15 -10.938 5.049 -3.277 1.00 0.00 O ATOM 190 CB ALA A 15 -10.268 7.315 -5.662 1.00 0.00 C ATOM 0 H ALA A 15 -12.062 8.864 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.006 6.136 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.634 6.456 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.677 7.709 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.677 8.087 -5.170 1.00 0.00 H new ATOM 196 N ALA A 16 -10.295 7.097 -2.603 1.00 0.00 N ATOM 197 CA ALA A 16 -9.732 6.625 -1.343 1.00 0.00 C ATOM 198 C ALA A 16 -10.691 5.674 -0.635 1.00 0.00 C ATOM 199 O ALA A 16 -10.289 4.614 -0.158 1.00 0.00 O ATOM 200 CB ALA A 16 -9.392 7.803 -0.443 1.00 0.00 C ATOM 0 H ALA A 16 -10.218 8.104 -2.749 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.817 6.076 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.973 7.436 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.663 8.443 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.296 8.376 -0.236 1.00 0.00 H new ATOM 206 N ALA A 17 -11.961 6.062 -0.570 1.00 0.00 N ATOM 207 CA ALA A 17 -12.977 5.244 0.079 1.00 0.00 C ATOM 208 C ALA A 17 -13.138 3.904 -0.631 1.00 0.00 C ATOM 209 O ALA A 17 -13.583 2.923 -0.034 1.00 0.00 O ATOM 210 CB ALA A 17 -14.305 5.985 0.119 1.00 0.00 C ATOM 0 H ALA A 17 -12.310 6.938 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.652 5.048 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.055 5.362 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.187 6.914 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.626 6.211 -0.898 1.00 0.00 H new ATOM 216 N HIS A 18 -12.774 3.869 -1.909 1.00 0.00 N ATOM 217 CA HIS A 18 -12.879 2.648 -2.700 1.00 0.00 C ATOM 218 C HIS A 18 -11.684 1.733 -2.447 1.00 0.00 C ATOM 219 O HIS A 18 -11.806 0.508 -2.499 1.00 0.00 O ATOM 220 CB HIS A 18 -12.971 2.986 -4.188 1.00 0.00 C ATOM 221 CG HIS A 18 -13.752 1.985 -4.983 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.904 1.387 -4.516 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.543 1.479 -6.220 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.367 0.555 -5.431 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.560 0.592 -6.476 1.00 0.00 N ATOM 0 H HIS A 18 -12.404 4.671 -2.419 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.786 2.125 -2.397 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.432 3.967 -4.301 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.964 3.058 -4.599 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.728 1.727 -6.883 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.255 -0.053 -5.340 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.673 0.050 -7.333 1.00 0.00 H new ATOM 234 N LEU A 19 -10.532 2.334 -2.176 1.00 0.00 N ATOM 235 CA LEU A 19 -9.314 1.573 -1.916 1.00 0.00 C ATOM 236 C LEU A 19 -9.586 0.426 -0.948 1.00 0.00 C ATOM 237 O LEU A 19 -9.155 -0.704 -1.176 1.00 0.00 O ATOM 238 CB LEU A 19 -8.229 2.489 -1.347 1.00 0.00 C ATOM 239 CG LEU A 19 -6.786 2.098 -1.666 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.812 2.959 -0.876 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.556 0.622 -1.372 1.00 0.00 C ATOM 0 H LEU A 19 -10.414 3.346 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.968 1.153 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.402 3.499 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.344 2.525 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.610 2.268 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.790 2.666 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.960 4.007 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.988 2.821 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.524 0.361 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.751 0.426 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.229 0.020 -1.983 1.00 0.00 H new ATOM 253 N GLN A 20 -10.304 0.724 0.129 1.00 0.00 N ATOM 254 CA GLN A 20 -10.634 -0.284 1.130 1.00 0.00 C ATOM 255 C GLN A 20 -11.427 -1.429 0.509 1.00 0.00 C ATOM 256 O GLN A 20 -11.302 -2.580 0.923 1.00 0.00 O ATOM 257 CB GLN A 20 -11.433 0.345 2.273 1.00 0.00 C ATOM 258 CG GLN A 20 -10.670 1.421 3.029 1.00 0.00 C ATOM 259 CD GLN A 20 -9.836 0.859 4.163 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.330 0.091 4.990 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.565 1.238 4.207 1.00 0.00 N ATOM 0 H GLN A 20 -10.669 1.655 0.331 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.701 -0.686 1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.349 0.776 1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.729 -0.437 2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.020 1.955 2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.376 2.149 3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.198 1.876 3.501 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.955 0.891 4.947 1.00 0.00 H new ATOM 270 N GLY A 21 -12.245 -1.103 -0.488 1.00 0.00 N ATOM 271 CA GLY A 21 -13.047 -2.115 -1.150 1.00 0.00 C ATOM 272 C GLY A 21 -12.292 -2.818 -2.261 1.00 0.00 C ATOM 273 O GLY A 21 -12.733 -3.853 -2.762 1.00 0.00 O ATOM 0 H GLY A 21 -12.366 -0.157 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.376 -2.851 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.944 -1.652 -1.561 1.00 0.00 H new ATOM 277 N LEU A 22 -11.153 -2.256 -2.647 1.00 0.00 N ATOM 278 CA LEU A 22 -10.335 -2.835 -3.708 1.00 0.00 C ATOM 279 C LEU A 22 -9.088 -3.499 -3.133 1.00 0.00 C ATOM 280 O LEU A 22 -8.146 -3.809 -3.862 1.00 0.00 O ATOM 281 CB LEU A 22 -9.933 -1.756 -4.716 1.00 0.00 C ATOM 282 CG LEU A 22 -11.074 -0.914 -5.288 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.529 0.175 -6.198 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.062 -1.794 -6.039 1.00 0.00 C ATOM 0 H LEU A 22 -10.774 -1.400 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.928 -3.595 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.219 -1.086 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.412 -2.237 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.599 -0.438 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.355 0.764 -6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.862 0.823 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.979 -0.280 -7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.867 -1.178 -6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.550 -2.299 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.478 -2.537 -5.358 1.00 0.00 H new ATOM 296 N ILE A 23 -9.091 -3.717 -1.822 1.00 0.00 N ATOM 297 CA ILE A 23 -7.962 -4.347 -1.150 1.00 0.00 C ATOM 298 C ILE A 23 -7.795 -5.796 -1.598 1.00 0.00 C ATOM 299 O ILE A 23 -6.680 -6.313 -1.654 1.00 0.00 O ATOM 300 CB ILE A 23 -8.125 -4.310 0.381 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.352 -2.874 0.856 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.903 -4.911 1.058 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.135 -1.988 0.705 1.00 0.00 C ATOM 0 H ILE A 23 -9.863 -3.466 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.074 -3.779 -1.426 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.996 -4.905 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.179 -2.440 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.652 -2.890 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.033 -4.878 2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.782 -5.946 0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.016 -4.340 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.369 -0.985 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.312 -2.398 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.847 -1.942 -0.345 1.00 0.00 H new ATOM 315 N GLN A 24 -8.911 -6.443 -1.916 1.00 0.00 N ATOM 316 CA GLN A 24 -8.888 -7.832 -2.360 1.00 0.00 C ATOM 317 C GLN A 24 -8.400 -7.935 -3.801 1.00 0.00 C ATOM 318 O GLN A 24 -7.946 -8.992 -4.240 1.00 0.00 O ATOM 319 CB GLN A 24 -10.281 -8.452 -2.235 1.00 0.00 C ATOM 320 CG GLN A 24 -10.909 -8.266 -0.864 1.00 0.00 C ATOM 321 CD GLN A 24 -12.346 -8.748 -0.809 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.646 -9.771 -0.193 1.00 0.00 O ATOM 323 NE2 GLN A 24 -13.242 -8.013 -1.456 1.00 0.00 N ATOM 0 H GLN A 24 -9.842 -6.028 -1.875 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.195 -8.380 -1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.935 -8.011 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.216 -9.518 -2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.320 -8.806 -0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.873 -7.211 -0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.949 -7.172 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.224 -8.289 -1.456 1.00 0.00 H new ATOM 332 N VAL A 25 -8.497 -6.830 -4.534 1.00 0.00 N ATOM 333 CA VAL A 25 -8.064 -6.795 -5.926 1.00 0.00 C ATOM 334 C VAL A 25 -6.727 -6.078 -6.068 1.00 0.00 C ATOM 335 O VAL A 25 -6.082 -6.146 -7.115 1.00 0.00 O ATOM 336 CB VAL A 25 -9.106 -6.098 -6.820 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.399 -6.899 -6.859 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.362 -4.680 -6.333 1.00 0.00 C ATOM 0 H VAL A 25 -8.872 -5.947 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.953 -7.830 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.710 -6.044 -7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.123 -6.390 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.199 -7.893 -7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.802 -6.988 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.101 -4.202 -6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.736 -4.709 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.433 -4.111 -6.364 1.00 0.00 H new ATOM 348 N ALA A 26 -6.314 -5.391 -5.008 1.00 0.00 N ATOM 349 CA ALA A 26 -5.052 -4.662 -5.014 1.00 0.00 C ATOM 350 C ALA A 26 -3.916 -5.528 -4.479 1.00 0.00 C ATOM 351 O ALA A 26 -4.066 -6.209 -3.465 1.00 0.00 O ATOM 352 CB ALA A 26 -5.175 -3.386 -4.195 1.00 0.00 C ATOM 0 H ALA A 26 -6.835 -5.324 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.819 -4.397 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.225 -2.852 -4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.953 -2.753 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.435 -3.637 -3.167 1.00 0.00 H new ATOM 358 N SER A 27 -2.780 -5.498 -5.169 1.00 0.00 N ATOM 359 CA SER A 27 -1.620 -6.285 -4.766 1.00 0.00 C ATOM 360 C SER A 27 -0.789 -5.534 -3.730 1.00 0.00 C ATOM 361 O SER A 27 -0.686 -4.308 -3.770 1.00 0.00 O ATOM 362 CB SER A 27 -0.757 -6.620 -5.984 1.00 0.00 C ATOM 363 OG SER A 27 -0.306 -5.441 -6.629 1.00 0.00 O ATOM 0 H SER A 27 -2.638 -4.937 -6.009 1.00 0.00 H new ATOM 0 HA SER A 27 -1.977 -7.212 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.099 -7.219 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.331 -7.225 -6.685 1.00 0.00 H new ATOM 0 HG SER A 27 0.245 -5.682 -7.403 1.00 0.00 H new ATOM 369 N ARG A 28 -0.197 -6.280 -2.803 1.00 0.00 N ATOM 370 CA ARG A 28 0.624 -5.686 -1.755 1.00 0.00 C ATOM 371 C ARG A 28 1.431 -4.510 -2.297 1.00 0.00 C ATOM 372 O ARG A 28 1.721 -3.558 -1.573 1.00 0.00 O ATOM 373 CB ARG A 28 1.567 -6.735 -1.162 1.00 0.00 C ATOM 374 CG ARG A 28 2.660 -7.182 -2.119 1.00 0.00 C ATOM 375 CD ARG A 28 2.211 -8.364 -2.964 1.00 0.00 C ATOM 376 NE ARG A 28 2.016 -9.568 -2.160 1.00 0.00 N ATOM 377 CZ ARG A 28 3.014 -10.296 -1.673 1.00 0.00 C ATOM 378 NH1 ARG A 28 4.271 -9.944 -1.905 1.00 0.00 N ATOM 379 NH2 ARG A 28 2.756 -11.379 -0.950 1.00 0.00 N ATOM 0 H ARG A 28 -0.271 -7.296 -2.756 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.040 -5.319 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.028 -6.329 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.984 -7.604 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.937 -6.353 -2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.551 -7.455 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.280 -8.113 -3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.954 -8.560 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 28 1.061 -9.866 -1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.474 -9.112 -2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.035 -10.505 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.790 -11.653 -0.768 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.523 -11.938 -0.576 1.00 0.00 H new ATOM 393 N GLU A 29 1.789 -4.583 -3.575 1.00 0.00 N ATOM 394 CA GLU A 29 2.563 -3.525 -4.213 1.00 0.00 C ATOM 395 C GLU A 29 1.686 -2.312 -4.508 1.00 0.00 C ATOM 396 O GLU A 29 2.048 -1.179 -4.190 1.00 0.00 O ATOM 397 CB GLU A 29 3.198 -4.036 -5.508 1.00 0.00 C ATOM 398 CG GLU A 29 4.516 -4.760 -5.294 1.00 0.00 C ATOM 399 CD GLU A 29 5.259 -5.015 -6.592 1.00 0.00 C ATOM 400 OE1 GLU A 29 5.829 -4.053 -7.148 1.00 0.00 O ATOM 401 OE2 GLU A 29 5.270 -6.176 -7.051 1.00 0.00 O ATOM 0 H GLU A 29 1.555 -5.364 -4.189 1.00 0.00 H new ATOM 0 HA GLU A 29 3.352 -3.223 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.499 -4.710 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.361 -3.194 -6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.146 -4.170 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.327 -5.710 -4.795 1.00 0.00 H new ATOM 408 N GLN A 30 0.531 -2.558 -5.118 1.00 0.00 N ATOM 409 CA GLN A 30 -0.398 -1.487 -5.457 1.00 0.00 C ATOM 410 C GLN A 30 -0.788 -0.691 -4.216 1.00 0.00 C ATOM 411 O GLN A 30 -1.005 0.519 -4.284 1.00 0.00 O ATOM 412 CB GLN A 30 -1.649 -2.060 -6.125 1.00 0.00 C ATOM 413 CG GLN A 30 -1.518 -2.216 -7.631 1.00 0.00 C ATOM 414 CD GLN A 30 -2.691 -2.953 -8.246 1.00 0.00 C ATOM 415 OE1 GLN A 30 -3.343 -3.764 -7.588 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.967 -2.673 -9.514 1.00 0.00 N ATOM 0 H GLN A 30 0.216 -3.490 -5.388 1.00 0.00 H new ATOM 0 HA GLN A 30 0.101 -0.815 -6.155 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.872 -3.032 -5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.497 -1.410 -5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.433 -1.230 -8.088 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.597 -2.753 -7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.400 -1.994 -10.021 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.746 -3.137 -9.981 1.00 0.00 H new ATOM 425 N LEU A 31 -0.876 -1.379 -3.082 1.00 0.00 N ATOM 426 CA LEU A 31 -1.241 -0.737 -1.824 1.00 0.00 C ATOM 427 C LEU A 31 -0.241 0.356 -1.461 1.00 0.00 C ATOM 428 O LEU A 31 -0.616 1.406 -0.937 1.00 0.00 O ATOM 429 CB LEU A 31 -1.312 -1.773 -0.702 1.00 0.00 C ATOM 430 CG LEU A 31 -2.619 -2.559 -0.595 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.806 -1.612 -0.509 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.772 -3.503 -1.779 1.00 0.00 C ATOM 0 H LEU A 31 -0.700 -2.381 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.222 -0.279 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.495 -2.482 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.139 -1.264 0.246 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.589 -3.155 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.727 -2.189 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.702 -0.977 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.840 -0.989 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.708 -4.054 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.780 -2.927 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.938 -4.204 -1.795 1.00 0.00 H new ATOM 444 N LEU A 32 1.032 0.104 -1.743 1.00 0.00 N ATOM 445 CA LEU A 32 2.087 1.067 -1.448 1.00 0.00 C ATOM 446 C LEU A 32 2.098 2.195 -2.475 1.00 0.00 C ATOM 447 O LEU A 32 2.303 3.359 -2.132 1.00 0.00 O ATOM 448 CB LEU A 32 3.449 0.371 -1.425 1.00 0.00 C ATOM 449 CG LEU A 32 4.535 1.048 -0.588 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.488 0.554 0.849 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.908 0.800 -1.196 1.00 0.00 C ATOM 0 H LEU A 32 1.359 -0.760 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 32 1.888 1.496 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.310 -0.643 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.809 0.286 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 32 4.349 2.122 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.268 1.047 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.514 0.784 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.648 -0.524 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.669 1.289 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.103 -0.272 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.937 1.205 -2.207 1.00 0.00 H new ATOM 463 N TYR A 33 1.872 1.841 -3.736 1.00 0.00 N ATOM 464 CA TYR A 33 1.856 2.824 -4.814 1.00 0.00 C ATOM 465 C TYR A 33 0.942 3.995 -4.469 1.00 0.00 C ATOM 466 O TYR A 33 1.238 5.146 -4.793 1.00 0.00 O ATOM 467 CB TYR A 33 1.398 2.171 -6.119 1.00 0.00 C ATOM 468 CG TYR A 33 1.596 3.048 -7.336 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.815 3.080 -8.002 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.564 3.844 -7.818 1.00 0.00 C ATOM 471 CE1 TYR A 33 3.000 3.880 -9.113 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.740 4.645 -8.929 1.00 0.00 C ATOM 473 CZ TYR A 33 1.960 4.660 -9.573 1.00 0.00 C ATOM 474 OH TYR A 33 2.140 5.458 -10.680 1.00 0.00 O ATOM 0 H TYR A 33 1.698 0.882 -4.037 1.00 0.00 H new ATOM 0 HA TYR A 33 2.870 3.204 -4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.944 1.239 -6.260 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.342 1.912 -6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.631 2.469 -7.645 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.392 3.836 -7.315 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.954 3.894 -9.619 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.073 5.256 -9.292 1.00 0.00 H new ATOM 0 HH TYR A 33 1.268 5.753 -11.016 1.00 0.00 H new ATOM 484 N LEU A 34 -0.172 3.694 -3.810 1.00 0.00 N ATOM 485 CA LEU A 34 -1.131 4.721 -3.420 1.00 0.00 C ATOM 486 C LEU A 34 -0.707 5.396 -2.119 1.00 0.00 C ATOM 487 O LEU A 34 -1.113 6.523 -1.832 1.00 0.00 O ATOM 488 CB LEU A 34 -2.525 4.110 -3.260 1.00 0.00 C ATOM 489 CG LEU A 34 -2.991 3.195 -4.392 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.346 2.588 -4.065 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.051 3.960 -5.706 1.00 0.00 C ATOM 0 H LEU A 34 -0.433 2.747 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.159 5.475 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.546 3.543 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.245 4.921 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.269 2.385 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.661 1.940 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.271 2.005 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.078 3.384 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.385 3.293 -6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.751 4.790 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.061 4.346 -5.948 1.00 0.00 H new ATOM 503 N TYR A 35 0.113 4.702 -1.339 1.00 0.00 N ATOM 504 CA TYR A 35 0.592 5.235 -0.069 1.00 0.00 C ATOM 505 C TYR A 35 1.539 6.410 -0.293 1.00 0.00 C ATOM 506 O TYR A 35 1.436 7.440 0.372 1.00 0.00 O ATOM 507 CB TYR A 35 1.301 4.141 0.732 1.00 0.00 C ATOM 508 CG TYR A 35 2.161 4.674 1.855 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.328 5.379 1.588 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.808 4.471 3.184 1.00 0.00 C ATOM 511 CE1 TYR A 35 4.118 5.868 2.611 1.00 0.00 C ATOM 512 CE2 TYR A 35 2.591 4.957 4.213 1.00 0.00 C ATOM 513 CZ TYR A 35 3.745 5.654 3.922 1.00 0.00 C ATOM 514 OH TYR A 35 4.528 6.139 4.944 1.00 0.00 O ATOM 0 H TYR A 35 0.460 3.769 -1.563 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.271 5.589 0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.554 3.465 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.923 3.553 0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.623 5.548 0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.906 3.924 3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.022 6.414 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.301 4.792 5.240 1.00 0.00 H new ATOM 0 HH TYR A 35 4.124 5.904 5.805 1.00 0.00 H new ATOM 524 N ALA A 36 2.460 6.247 -1.237 1.00 0.00 N ATOM 525 CA ALA A 36 3.424 7.295 -1.552 1.00 0.00 C ATOM 526 C ALA A 36 2.720 8.574 -1.992 1.00 0.00 C ATOM 527 O ALA A 36 2.802 9.602 -1.319 1.00 0.00 O ATOM 528 CB ALA A 36 4.384 6.820 -2.633 1.00 0.00 C ATOM 0 H ALA A 36 2.559 5.400 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 36 3.992 7.517 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.098 7.612 -2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.919 5.938 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.823 6.570 -3.533 1.00 0.00 H new ATOM 534 N ARG A 37 2.028 8.504 -3.125 1.00 0.00 N ATOM 535 CA ARG A 37 1.311 9.657 -3.655 1.00 0.00 C ATOM 536 C ARG A 37 0.348 10.224 -2.616 1.00 0.00 C ATOM 537 O ARG A 37 0.267 11.437 -2.426 1.00 0.00 O ATOM 538 CB ARG A 37 0.543 9.270 -4.920 1.00 0.00 C ATOM 539 CG ARG A 37 1.441 8.869 -6.079 1.00 0.00 C ATOM 540 CD ARG A 37 0.629 8.485 -7.306 1.00 0.00 C ATOM 541 NE ARG A 37 1.462 7.892 -8.349 1.00 0.00 N ATOM 542 CZ ARG A 37 2.240 8.600 -9.159 1.00 0.00 C ATOM 543 NH1 ARG A 37 2.293 9.920 -9.046 1.00 0.00 N ATOM 544 NH2 ARG A 37 2.968 7.989 -10.084 1.00 0.00 N ATOM 0 H ARG A 37 1.949 7.661 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 37 2.043 10.425 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.128 8.443 -4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.080 10.110 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.108 9.695 -6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.070 8.030 -5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.150 7.779 -7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.128 9.369 -7.701 1.00 0.00 H new ATOM 0 HE ARG A 37 1.445 6.878 -8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.735 10.394 -8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.892 10.462 -9.670 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.931 6.974 -10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.565 8.534 -10.706 1.00 0.00 H new ATOM 558 N TYR A 38 -0.380 9.337 -1.946 1.00 0.00 N ATOM 559 CA TYR A 38 -1.339 9.748 -0.928 1.00 0.00 C ATOM 560 C TYR A 38 -0.639 10.460 0.225 1.00 0.00 C ATOM 561 O TYR A 38 -1.214 11.336 0.871 1.00 0.00 O ATOM 562 CB TYR A 38 -2.108 8.535 -0.402 1.00 0.00 C ATOM 563 CG TYR A 38 -3.144 8.881 0.643 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.767 9.364 1.890 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.500 8.725 0.384 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.710 9.681 2.848 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.450 9.041 1.335 1.00 0.00 C ATOM 568 CZ TYR A 38 -5.051 9.518 2.566 1.00 0.00 C ATOM 569 OH TYR A 38 -5.994 9.833 3.517 1.00 0.00 O ATOM 0 H TYR A 38 -0.324 8.329 -2.090 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.041 10.444 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.600 8.037 -1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.400 7.823 0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.718 9.494 2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.817 8.350 -0.578 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.400 10.054 3.813 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.500 8.915 1.116 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.890 9.662 3.159 1.00 0.00 H new ATOM 579 N LYS A 39 0.608 10.076 0.478 1.00 0.00 N ATOM 580 CA LYS A 39 1.391 10.677 1.552 1.00 0.00 C ATOM 581 C LYS A 39 2.022 11.989 1.097 1.00 0.00 C ATOM 582 O LYS A 39 2.473 12.788 1.917 1.00 0.00 O ATOM 583 CB LYS A 39 2.481 9.710 2.019 1.00 0.00 C ATOM 584 CG LYS A 39 1.976 8.637 2.968 1.00 0.00 C ATOM 585 CD LYS A 39 1.644 9.213 4.335 1.00 0.00 C ATOM 586 CE LYS A 39 2.888 9.733 5.038 1.00 0.00 C ATOM 587 NZ LYS A 39 2.698 9.817 6.512 1.00 0.00 N ATOM 0 H LYS A 39 1.098 9.351 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 39 0.719 10.887 2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.928 9.231 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.271 10.277 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.089 8.165 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.732 7.859 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.922 10.022 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.172 8.446 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.731 9.078 4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.140 10.719 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.568 10.176 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.910 10.462 6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.482 8.872 6.889 1.00 0.00 H new ATOM 601 N GLN A 40 2.047 12.205 -0.215 1.00 0.00 N ATOM 602 CA GLN A 40 2.622 13.421 -0.777 1.00 0.00 C ATOM 603 C GLN A 40 1.566 14.514 -0.904 1.00 0.00 C ATOM 604 O GLN A 40 1.844 15.691 -0.671 1.00 0.00 O ATOM 605 CB GLN A 40 3.240 13.132 -2.146 1.00 0.00 C ATOM 606 CG GLN A 40 3.574 14.385 -2.939 1.00 0.00 C ATOM 607 CD GLN A 40 4.834 15.070 -2.446 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.699 14.440 -1.837 1.00 0.00 O ATOM 609 NE2 GLN A 40 4.943 16.367 -2.707 1.00 0.00 N ATOM 0 H GLN A 40 1.676 11.554 -0.907 1.00 0.00 H new ATOM 0 HA GLN A 40 3.402 13.771 -0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.149 12.546 -2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.549 12.519 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.695 14.123 -3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.738 15.082 -2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.201 16.849 -3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.768 16.881 -2.400 1.00 0.00 H new ATOM 618 N VAL A 41 0.352 14.118 -1.275 1.00 0.00 N ATOM 619 CA VAL A 41 -0.746 15.064 -1.432 1.00 0.00 C ATOM 620 C VAL A 41 -1.258 15.541 -0.078 1.00 0.00 C ATOM 621 O VAL A 41 -1.864 16.608 0.029 1.00 0.00 O ATOM 622 CB VAL A 41 -1.914 14.442 -2.220 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.396 13.675 -3.427 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.742 13.538 -1.319 1.00 0.00 C ATOM 0 H VAL A 41 0.105 13.148 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.354 15.915 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.556 15.246 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.236 13.243 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.850 14.353 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.731 12.878 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.563 13.107 -1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.113 12.738 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.144 14.120 -0.490 1.00 0.00 H new ATOM 634 N LYS A 42 -1.010 14.745 0.957 1.00 0.00 N ATOM 635 CA LYS A 42 -1.444 15.085 2.306 1.00 0.00 C ATOM 636 C LYS A 42 -0.332 15.796 3.072 1.00 0.00 C ATOM 637 O LYS A 42 -0.547 16.860 3.652 1.00 0.00 O ATOM 638 CB LYS A 42 -1.871 13.824 3.060 1.00 0.00 C ATOM 639 CG LYS A 42 -3.171 13.224 2.555 1.00 0.00 C ATOM 640 CD LYS A 42 -4.367 14.078 2.942 1.00 0.00 C ATOM 641 CE LYS A 42 -5.657 13.533 2.348 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.840 13.869 3.188 1.00 0.00 N ATOM 0 H LYS A 42 -0.510 13.859 0.886 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.296 15.760 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.081 13.078 2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.978 14.062 4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.130 13.124 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.292 12.220 2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.453 14.115 4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.211 15.101 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.796 13.940 1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.580 12.451 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.699 13.480 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.720 13.460 4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.928 14.902 3.266 1.00 0.00 H new ATOM 656 N VAL A 43 0.857 15.202 3.068 1.00 0.00 N ATOM 657 CA VAL A 43 2.002 15.780 3.760 1.00 0.00 C ATOM 658 C VAL A 43 2.803 16.687 2.833 1.00 0.00 C ATOM 659 O VAL A 43 2.811 17.907 2.996 1.00 0.00 O ATOM 660 CB VAL A 43 2.932 14.685 4.318 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.041 15.303 5.157 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.136 13.675 5.131 1.00 0.00 C ATOM 0 H VAL A 43 1.052 14.321 2.593 1.00 0.00 H new ATOM 0 HA VAL A 43 1.608 16.368 4.588 1.00 0.00 H new ATOM 0 HB VAL A 43 3.392 14.161 3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.688 14.515 5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.627 15.984 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.603 15.853 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.808 12.909 5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.647 14.182 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.382 13.210 4.496 1.00 0.00 H new ATOM 672 N GLY A 44 3.478 16.083 1.859 1.00 0.00 N ATOM 673 CA GLY A 44 4.273 16.852 0.920 1.00 0.00 C ATOM 674 C GLY A 44 5.723 16.413 0.892 1.00 0.00 C ATOM 675 O GLY A 44 6.028 15.242 1.116 1.00 0.00 O ATOM 0 H GLY A 44 3.488 15.075 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.847 16.753 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.221 17.908 1.185 1.00 0.00 H new ATOM 679 N ASN A 45 6.620 17.353 0.615 1.00 0.00 N ATOM 680 CA ASN A 45 8.046 17.056 0.556 1.00 0.00 C ATOM 681 C ASN A 45 8.458 16.137 1.702 1.00 0.00 C ATOM 682 O ASN A 45 8.246 16.455 2.873 1.00 0.00 O ATOM 683 CB ASN A 45 8.861 18.350 0.607 1.00 0.00 C ATOM 684 CG ASN A 45 9.017 18.990 -0.759 1.00 0.00 C ATOM 685 OD1 ASN A 45 10.096 18.963 -1.350 1.00 0.00 O ATOM 686 ND2 ASN A 45 7.935 19.569 -1.268 1.00 0.00 N ATOM 0 H ASN A 45 6.384 18.328 0.428 1.00 0.00 H new ATOM 0 HA ASN A 45 8.246 16.546 -0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.376 19.055 1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.847 18.139 1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.979 20.015 -2.184 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.061 19.567 -0.743 1.00 0.00 H new ATOM 693 N CYS A 46 9.049 14.998 1.356 1.00 0.00 N ATOM 694 CA CYS A 46 9.491 14.033 2.356 1.00 0.00 C ATOM 695 C CYS A 46 10.526 14.651 3.289 1.00 0.00 C ATOM 696 O CYS A 46 11.633 14.987 2.869 1.00 0.00 O ATOM 697 CB CYS A 46 10.075 12.794 1.675 1.00 0.00 C ATOM 698 SG CYS A 46 10.175 11.341 2.746 1.00 0.00 S ATOM 0 H CYS A 46 9.233 14.721 0.392 1.00 0.00 H new ATOM 0 HA CYS A 46 8.625 13.739 2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.465 12.550 0.805 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.074 13.031 1.308 1.00 0.00 H new ATOM 0 HG CYS A 46 11.291 11.369 3.412 1.00 0.00 H new ATOM 704 N ASN A 47 10.158 14.801 4.558 1.00 0.00 N ATOM 705 CA ASN A 47 11.054 15.382 5.550 1.00 0.00 C ATOM 706 C ASN A 47 11.486 14.335 6.572 1.00 0.00 C ATOM 707 O ASN A 47 12.625 14.340 7.041 1.00 0.00 O ATOM 708 CB ASN A 47 10.372 16.553 6.261 1.00 0.00 C ATOM 709 CG ASN A 47 9.278 16.097 7.207 1.00 0.00 C ATOM 710 OD1 ASN A 47 9.466 16.072 8.424 1.00 0.00 O ATOM 711 ND2 ASN A 47 8.129 15.734 6.652 1.00 0.00 N ATOM 0 H ASN A 47 9.245 14.528 4.923 1.00 0.00 H new ATOM 0 HA ASN A 47 11.941 15.747 5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.118 17.120 6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.948 17.228 5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.357 15.418 7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.018 15.771 5.639 1.00 0.00 H new ATOM 718 N THR A 48 10.568 13.435 6.914 1.00 0.00 N ATOM 719 CA THR A 48 10.852 12.382 7.880 1.00 0.00 C ATOM 720 C THR A 48 12.187 11.709 7.583 1.00 0.00 C ATOM 721 O THR A 48 12.615 11.605 6.433 1.00 0.00 O ATOM 722 CB THR A 48 9.743 11.314 7.890 1.00 0.00 C ATOM 723 OG1 THR A 48 9.511 10.836 6.561 1.00 0.00 O ATOM 724 CG2 THR A 48 8.452 11.880 8.463 1.00 0.00 C ATOM 0 H THR A 48 9.621 13.415 6.535 1.00 0.00 H new ATOM 0 HA THR A 48 10.897 12.857 8.860 1.00 0.00 H new ATOM 0 HB THR A 48 10.071 10.488 8.521 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.819 9.908 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.683 11.107 8.460 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.624 12.216 9.485 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.122 12.722 7.855 1.00 0.00 H new ATOM 732 N PRO A 49 12.863 11.238 8.642 1.00 0.00 N ATOM 733 CA PRO A 49 14.159 10.565 8.519 1.00 0.00 C ATOM 734 C PRO A 49 14.040 9.194 7.862 1.00 0.00 C ATOM 735 O PRO A 49 12.987 8.558 7.914 1.00 0.00 O ATOM 736 CB PRO A 49 14.625 10.424 9.970 1.00 0.00 C ATOM 737 CG PRO A 49 13.370 10.427 10.773 1.00 0.00 C ATOM 738 CD PRO A 49 12.413 11.327 10.041 1.00 0.00 C ATOM 0 HA PRO A 49 14.850 11.124 7.888 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.187 9.502 10.117 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.281 11.246 10.257 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.964 9.420 10.867 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.554 10.792 11.783 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.382 10.993 10.153 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.459 12.350 10.414 1.00 0.00 H new ATOM 746 N LYS A 50 15.126 8.743 7.243 1.00 0.00 N ATOM 747 CA LYS A 50 15.145 7.447 6.577 1.00 0.00 C ATOM 748 C LYS A 50 15.035 6.312 7.591 1.00 0.00 C ATOM 749 O LYS A 50 15.675 6.323 8.643 1.00 0.00 O ATOM 750 CB LYS A 50 16.429 7.290 5.758 1.00 0.00 C ATOM 751 CG LYS A 50 16.537 5.952 5.048 1.00 0.00 C ATOM 752 CD LYS A 50 17.888 5.787 4.372 1.00 0.00 C ATOM 753 CE LYS A 50 17.858 6.288 2.936 1.00 0.00 C ATOM 754 NZ LYS A 50 19.217 6.308 2.327 1.00 0.00 N ATOM 0 H LYS A 50 16.005 9.257 7.189 1.00 0.00 H new ATOM 0 HA LYS A 50 14.286 7.398 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.478 8.089 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.288 7.412 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.387 5.145 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.744 5.869 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.646 6.333 4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.177 4.736 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.203 5.650 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.434 7.292 2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.154 6.655 1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.835 6.937 2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.612 5.346 2.328 1.00 0.00 H new ATOM 768 N PRO A 51 14.205 5.309 7.270 1.00 0.00 N ATOM 769 CA PRO A 51 13.994 4.148 8.139 1.00 0.00 C ATOM 770 C PRO A 51 15.219 3.243 8.207 1.00 0.00 C ATOM 771 O PRO A 51 16.165 3.405 7.436 1.00 0.00 O ATOM 772 CB PRO A 51 12.825 3.416 7.475 1.00 0.00 C ATOM 773 CG PRO A 51 12.890 3.819 6.042 1.00 0.00 C ATOM 774 CD PRO A 51 13.410 5.230 6.033 1.00 0.00 C ATOM 0 HA PRO A 51 13.801 4.442 9.171 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.919 2.336 7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.873 3.701 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.548 3.157 5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.907 3.762 5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.019 5.428 5.151 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.598 5.957 6.030 1.00 0.00 H new ATOM 782 N SER A 52 15.196 2.290 9.133 1.00 0.00 N ATOM 783 CA SER A 52 16.307 1.362 9.304 1.00 0.00 C ATOM 784 C SER A 52 16.370 0.372 8.145 1.00 0.00 C ATOM 785 O SER A 52 15.350 0.040 7.541 1.00 0.00 O ATOM 786 CB SER A 52 16.170 0.607 10.627 1.00 0.00 C ATOM 787 OG SER A 52 17.431 0.154 11.089 1.00 0.00 O ATOM 0 H SER A 52 14.419 2.140 9.777 1.00 0.00 H new ATOM 0 HA SER A 52 17.232 1.939 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.717 1.258 11.375 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.500 -0.243 10.497 1.00 0.00 H new ATOM 0 HG SER A 52 17.316 -0.324 11.937 1.00 0.00 H new ATOM 793 N PHE A 53 17.575 -0.097 7.840 1.00 0.00 N ATOM 794 CA PHE A 53 17.773 -1.049 6.753 1.00 0.00 C ATOM 795 C PHE A 53 16.996 -2.337 7.010 1.00 0.00 C ATOM 796 O PHE A 53 16.388 -2.900 6.099 1.00 0.00 O ATOM 797 CB PHE A 53 19.262 -1.363 6.587 1.00 0.00 C ATOM 798 CG PHE A 53 19.525 -2.652 5.862 1.00 0.00 C ATOM 799 CD1 PHE A 53 19.035 -2.855 4.582 1.00 0.00 C ATOM 800 CD2 PHE A 53 20.263 -3.660 6.460 1.00 0.00 C ATOM 801 CE1 PHE A 53 19.275 -4.040 3.913 1.00 0.00 C ATOM 802 CE2 PHE A 53 20.507 -4.848 5.796 1.00 0.00 C ATOM 803 CZ PHE A 53 20.013 -5.037 4.521 1.00 0.00 C ATOM 0 H PHE A 53 18.430 0.167 8.330 1.00 0.00 H new ATOM 0 HA PHE A 53 17.399 -0.597 5.834 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.739 -0.547 6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.728 -1.407 7.571 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.459 -2.078 4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 53 20.653 -3.516 7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.886 -4.187 2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 53 21.083 -5.627 6.274 1.00 0.00 H new ATOM 0 HZ PHE A 53 20.203 -5.963 3.999 1.00 0.00 H new ATOM 813 N PHE A 54 17.021 -2.798 8.256 1.00 0.00 N ATOM 814 CA PHE A 54 16.321 -4.020 8.633 1.00 0.00 C ATOM 815 C PHE A 54 14.810 -3.840 8.512 1.00 0.00 C ATOM 816 O PHE A 54 14.095 -4.761 8.119 1.00 0.00 O ATOM 817 CB PHE A 54 16.685 -4.421 10.064 1.00 0.00 C ATOM 818 CG PHE A 54 17.874 -5.335 10.146 1.00 0.00 C ATOM 819 CD1 PHE A 54 19.119 -4.915 9.707 1.00 0.00 C ATOM 820 CD2 PHE A 54 17.746 -6.615 10.661 1.00 0.00 C ATOM 821 CE1 PHE A 54 20.215 -5.754 9.781 1.00 0.00 C ATOM 822 CE2 PHE A 54 18.838 -7.458 10.739 1.00 0.00 C ATOM 823 CZ PHE A 54 20.074 -7.028 10.297 1.00 0.00 C ATOM 0 H PHE A 54 17.519 -2.344 9.022 1.00 0.00 H new ATOM 0 HA PHE A 54 16.631 -4.812 7.951 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.888 -3.521 10.645 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.827 -4.911 10.525 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.235 -3.920 9.302 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.781 -6.958 11.005 1.00 0.00 H new ATOM 0 HE1 PHE A 54 21.180 -5.414 9.436 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.725 -8.452 11.145 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.928 -7.686 10.355 1.00 0.00 H new ATOM 833 N ASP A 55 14.333 -2.649 8.854 1.00 0.00 N ATOM 834 CA ASP A 55 12.908 -2.347 8.784 1.00 0.00 C ATOM 835 C ASP A 55 12.462 -2.164 7.337 1.00 0.00 C ATOM 836 O ASP A 55 12.257 -1.041 6.877 1.00 0.00 O ATOM 837 CB ASP A 55 12.592 -1.087 9.591 1.00 0.00 C ATOM 838 CG ASP A 55 12.325 -1.387 11.053 1.00 0.00 C ATOM 839 OD1 ASP A 55 11.845 -2.500 11.352 1.00 0.00 O ATOM 840 OD2 ASP A 55 12.597 -0.509 11.899 1.00 0.00 O ATOM 0 H ASP A 55 14.912 -1.876 9.183 1.00 0.00 H new ATOM 0 HA ASP A 55 12.362 -3.189 9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.427 -0.390 9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.722 -0.592 9.160 1.00 0.00 H new ATOM 845 N PHE A 56 12.314 -3.276 6.624 1.00 0.00 N ATOM 846 CA PHE A 56 11.894 -3.239 5.228 1.00 0.00 C ATOM 847 C PHE A 56 10.489 -2.657 5.098 1.00 0.00 C ATOM 848 O PHE A 56 10.273 -1.686 4.374 1.00 0.00 O ATOM 849 CB PHE A 56 11.935 -4.643 4.623 1.00 0.00 C ATOM 850 CG PHE A 56 12.899 -5.565 5.314 1.00 0.00 C ATOM 851 CD1 PHE A 56 12.505 -6.299 6.421 1.00 0.00 C ATOM 852 CD2 PHE A 56 14.200 -5.698 4.855 1.00 0.00 C ATOM 853 CE1 PHE A 56 13.390 -7.148 7.058 1.00 0.00 C ATOM 854 CE2 PHE A 56 15.089 -6.546 5.488 1.00 0.00 C ATOM 855 CZ PHE A 56 14.684 -7.271 6.592 1.00 0.00 C ATOM 0 H PHE A 56 12.479 -4.214 6.990 1.00 0.00 H new ATOM 0 HA PHE A 56 12.586 -2.597 4.683 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.936 -5.077 4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.207 -4.569 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.494 -6.207 6.790 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.523 -5.133 3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.070 -7.715 7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.100 -6.642 5.120 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.378 -7.932 7.089 1.00 0.00 H new ATOM 865 N GLU A 57 9.538 -3.260 5.804 1.00 0.00 N ATOM 866 CA GLU A 57 8.154 -2.803 5.767 1.00 0.00 C ATOM 867 C GLU A 57 8.085 -1.280 5.723 1.00 0.00 C ATOM 868 O GLU A 57 7.505 -0.700 4.806 1.00 0.00 O ATOM 869 CB GLU A 57 7.388 -3.324 6.985 1.00 0.00 C ATOM 870 CG GLU A 57 7.610 -4.803 7.256 1.00 0.00 C ATOM 871 CD GLU A 57 6.697 -5.340 8.341 1.00 0.00 C ATOM 872 OE1 GLU A 57 5.480 -5.065 8.282 1.00 0.00 O ATOM 873 OE2 GLU A 57 7.198 -6.035 9.249 1.00 0.00 O ATOM 0 H GLU A 57 9.700 -4.066 6.408 1.00 0.00 H new ATOM 0 HA GLU A 57 7.693 -3.197 4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.688 -2.753 7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.323 -3.146 6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.446 -5.366 6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.648 -4.964 7.547 1.00 0.00 H new ATOM 880 N GLY A 58 8.681 -0.637 6.722 1.00 0.00 N ATOM 881 CA GLY A 58 8.676 0.813 6.780 1.00 0.00 C ATOM 882 C GLY A 58 9.626 1.437 5.777 1.00 0.00 C ATOM 883 O GLY A 58 9.544 2.632 5.492 1.00 0.00 O ATOM 0 H GLY A 58 9.168 -1.095 7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.666 1.177 6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.951 1.134 7.785 1.00 0.00 H new ATOM 887 N LYS A 59 10.532 0.627 5.241 1.00 0.00 N ATOM 888 CA LYS A 59 11.504 1.105 4.264 1.00 0.00 C ATOM 889 C LYS A 59 10.841 1.350 2.912 1.00 0.00 C ATOM 890 O LYS A 59 11.061 2.384 2.282 1.00 0.00 O ATOM 891 CB LYS A 59 12.643 0.095 4.110 1.00 0.00 C ATOM 892 CG LYS A 59 13.739 0.554 3.164 1.00 0.00 C ATOM 893 CD LYS A 59 15.009 -0.261 3.346 1.00 0.00 C ATOM 894 CE LYS A 59 14.809 -1.707 2.920 1.00 0.00 C ATOM 895 NZ LYS A 59 16.071 -2.316 2.415 1.00 0.00 N ATOM 0 H LYS A 59 10.614 -0.364 5.467 1.00 0.00 H new ATOM 0 HA LYS A 59 11.911 2.049 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.079 -0.101 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.234 -0.849 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.393 0.465 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.954 1.608 3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.815 0.183 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.317 -0.228 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.439 -2.287 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.046 -1.754 2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.051 -3.343 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.162 -2.131 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.882 -1.900 2.916 1.00 0.00 H new ATOM 909 N GLN A 60 10.028 0.393 2.475 1.00 0.00 N ATOM 910 CA GLN A 60 9.333 0.507 1.198 1.00 0.00 C ATOM 911 C GLN A 60 8.384 1.700 1.200 1.00 0.00 C ATOM 912 O GLN A 60 8.331 2.467 0.238 1.00 0.00 O ATOM 913 CB GLN A 60 8.557 -0.777 0.900 1.00 0.00 C ATOM 914 CG GLN A 60 7.703 -1.256 2.064 1.00 0.00 C ATOM 915 CD GLN A 60 6.855 -2.461 1.709 1.00 0.00 C ATOM 916 OE1 GLN A 60 5.629 -2.427 1.821 1.00 0.00 O ATOM 917 NE2 GLN A 60 7.505 -3.535 1.276 1.00 0.00 N ATOM 0 H GLN A 60 9.835 -0.469 2.986 1.00 0.00 H new ATOM 0 HA GLN A 60 10.079 0.661 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.916 -0.612 0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.262 -1.563 0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.350 -1.507 2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.054 -0.444 2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.522 -3.519 1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.987 -4.376 1.021 1.00 0.00 H new ATOM 926 N LYS A 61 7.634 1.852 2.286 1.00 0.00 N ATOM 927 CA LYS A 61 6.686 2.953 2.414 1.00 0.00 C ATOM 928 C LYS A 61 7.404 4.298 2.365 1.00 0.00 C ATOM 929 O LYS A 61 7.070 5.160 1.552 1.00 0.00 O ATOM 930 CB LYS A 61 5.903 2.829 3.723 1.00 0.00 C ATOM 931 CG LYS A 61 5.287 1.457 3.936 1.00 0.00 C ATOM 932 CD LYS A 61 4.559 1.373 5.267 1.00 0.00 C ATOM 933 CE LYS A 61 3.097 1.768 5.128 1.00 0.00 C ATOM 934 NZ LYS A 61 2.236 1.068 6.120 1.00 0.00 N ATOM 0 H LYS A 61 7.664 1.226 3.091 1.00 0.00 H new ATOM 0 HA LYS A 61 5.992 2.901 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.568 3.053 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.112 3.579 3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.591 1.240 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.067 0.697 3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.627 0.357 5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.046 2.026 5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.998 2.846 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.752 1.536 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.247 1.365 5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.310 0.040 5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.548 1.310 7.082 1.00 0.00 H new ATOM 948 N TRP A 62 8.391 4.469 3.237 1.00 0.00 N ATOM 949 CA TRP A 62 9.157 5.709 3.291 1.00 0.00 C ATOM 950 C TRP A 62 9.831 5.991 1.953 1.00 0.00 C ATOM 951 O TRP A 62 9.874 7.134 1.499 1.00 0.00 O ATOM 952 CB TRP A 62 10.207 5.635 4.400 1.00 0.00 C ATOM 953 CG TRP A 62 10.974 6.911 4.577 1.00 0.00 C ATOM 954 CD1 TRP A 62 10.624 7.976 5.358 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.219 7.256 3.960 1.00 0.00 C ATOM 956 NE1 TRP A 62 11.576 8.962 5.263 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.565 8.544 4.412 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.076 6.601 3.072 1.00 0.00 C ATOM 959 CZ2 TRP A 62 13.730 9.188 4.004 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.231 7.241 2.667 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.551 8.523 3.133 1.00 0.00 C ATOM 0 H TRP A 62 8.680 3.765 3.916 1.00 0.00 H new ATOM 0 HA TRP A 62 8.467 6.525 3.507 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.716 5.381 5.339 1.00 0.00 H new ATOM 0 HB3 TRP A 62 10.905 4.828 4.177 1.00 0.00 H new ATOM 0 HD1 TRP A 62 9.730 8.034 5.961 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.551 9.859 5.747 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.840 5.612 2.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 13.977 10.177 4.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.899 6.745 1.979 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.463 8.996 2.799 1.00 0.00 H new ATOM 972 N GLU A 63 10.355 4.942 1.326 1.00 0.00 N ATOM 973 CA GLU A 63 11.028 5.079 0.040 1.00 0.00 C ATOM 974 C GLU A 63 10.070 5.616 -1.020 1.00 0.00 C ATOM 975 O GLU A 63 10.197 6.756 -1.466 1.00 0.00 O ATOM 976 CB GLU A 63 11.599 3.733 -0.408 1.00 0.00 C ATOM 977 CG GLU A 63 12.975 3.434 0.164 1.00 0.00 C ATOM 978 CD GLU A 63 13.746 2.426 -0.665 1.00 0.00 C ATOM 979 OE1 GLU A 63 14.328 2.825 -1.695 1.00 0.00 O ATOM 980 OE2 GLU A 63 13.767 1.237 -0.284 1.00 0.00 O ATOM 0 H GLU A 63 10.326 3.989 1.688 1.00 0.00 H new ATOM 0 HA GLU A 63 11.846 5.790 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.912 2.940 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.656 3.716 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.547 4.360 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.867 3.056 1.181 1.00 0.00 H new ATOM 987 N ALA A 64 9.113 4.785 -1.419 1.00 0.00 N ATOM 988 CA ALA A 64 8.133 5.176 -2.425 1.00 0.00 C ATOM 989 C ALA A 64 7.740 6.641 -2.269 1.00 0.00 C ATOM 990 O ALA A 64 7.736 7.398 -3.240 1.00 0.00 O ATOM 991 CB ALA A 64 6.902 4.285 -2.337 1.00 0.00 C ATOM 0 H ALA A 64 8.995 3.837 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 64 8.589 5.052 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.179 4.588 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.191 3.248 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.454 4.380 -1.348 1.00 0.00 H new ATOM 997 N TRP A 65 7.411 7.033 -1.044 1.00 0.00 N ATOM 998 CA TRP A 65 7.016 8.409 -0.762 1.00 0.00 C ATOM 999 C TRP A 65 8.209 9.352 -0.877 1.00 0.00 C ATOM 1000 O TRP A 65 8.067 10.500 -1.298 1.00 0.00 O ATOM 1001 CB TRP A 65 6.403 8.509 0.635 1.00 0.00 C ATOM 1002 CG TRP A 65 6.148 9.920 1.072 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.920 10.999 0.267 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.096 10.404 2.419 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.730 12.124 1.031 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.832 11.786 2.355 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.244 9.804 3.672 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.716 12.575 3.496 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.129 10.588 4.804 1.00 0.00 C ATOM 1010 CH2 TRP A 65 5.866 11.961 4.710 1.00 0.00 C ATOM 0 H TRP A 65 7.410 6.418 -0.230 1.00 0.00 H new ATOM 0 HA TRP A 65 6.270 8.706 -1.500 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.464 7.955 0.653 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.069 8.029 1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.893 10.972 -0.812 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.543 13.060 0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.445 8.746 3.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.515 13.634 3.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.244 10.135 5.778 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.780 12.546 5.613 1.00 0.00 H new ATOM 1021 N LYS A 66 9.384 8.861 -0.499 1.00 0.00 N ATOM 1022 CA LYS A 66 10.603 9.659 -0.560 1.00 0.00 C ATOM 1023 C LYS A 66 10.900 10.089 -1.993 1.00 0.00 C ATOM 1024 O LYS A 66 11.286 11.231 -2.241 1.00 0.00 O ATOM 1025 CB LYS A 66 11.785 8.866 0.001 1.00 0.00 C ATOM 1026 CG LYS A 66 13.129 9.536 -0.226 1.00 0.00 C ATOM 1027 CD LYS A 66 13.258 10.817 0.581 1.00 0.00 C ATOM 1028 CE LYS A 66 14.448 11.646 0.124 1.00 0.00 C ATOM 1029 NZ LYS A 66 14.278 13.088 0.452 1.00 0.00 N ATOM 0 H LYS A 66 9.518 7.913 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 66 10.453 10.553 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.638 8.719 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.799 7.877 -0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.930 8.850 0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.251 9.759 -1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.345 11.404 0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.367 10.573 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.355 11.270 0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.579 11.531 -0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.110 13.619 0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.426 13.453 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.179 13.201 1.481 1.00 0.00 H new ATOM 1043 N ALA A 67 10.716 9.168 -2.933 1.00 0.00 N ATOM 1044 CA ALA A 67 10.961 9.453 -4.341 1.00 0.00 C ATOM 1045 C ALA A 67 10.209 10.703 -4.787 1.00 0.00 C ATOM 1046 O ALA A 67 10.642 11.407 -5.700 1.00 0.00 O ATOM 1047 CB ALA A 67 10.562 8.261 -5.198 1.00 0.00 C ATOM 0 H ALA A 67 10.398 8.217 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 67 12.028 9.637 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.750 8.488 -6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.147 7.390 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.502 8.050 -5.057 1.00 0.00 H new ATOM 1053 N LEU A 68 9.082 10.972 -4.138 1.00 0.00 N ATOM 1054 CA LEU A 68 8.269 12.138 -4.468 1.00 0.00 C ATOM 1055 C LEU A 68 8.783 13.381 -3.749 1.00 0.00 C ATOM 1056 O LEU A 68 8.020 14.093 -3.097 1.00 0.00 O ATOM 1057 CB LEU A 68 6.807 11.886 -4.095 1.00 0.00 C ATOM 1058 CG LEU A 68 6.174 10.621 -4.674 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.858 10.315 -3.977 1.00 0.00 C ATOM 1060 CD2 LEU A 68 5.964 10.769 -6.174 1.00 0.00 C ATOM 0 H LEU A 68 8.710 10.399 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 68 8.339 12.308 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.733 11.840 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.218 12.744 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 68 6.854 9.786 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.422 9.411 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.036 10.165 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.170 11.149 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.513 9.859 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.305 11.615 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.924 10.939 -6.661 1.00 0.00 H new ATOM 1072 N GLY A 69 10.081 13.638 -3.876 1.00 0.00 N ATOM 1073 CA GLY A 69 10.674 14.797 -3.235 1.00 0.00 C ATOM 1074 C GLY A 69 9.904 16.072 -3.516 1.00 0.00 C ATOM 1075 O GLY A 69 9.171 16.564 -2.659 1.00 0.00 O ATOM 0 H GLY A 69 10.733 13.064 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.716 14.631 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.701 14.913 -3.580 1.00 0.00 H new ATOM 1079 N ASP A 70 10.072 16.610 -4.719 1.00 0.00 N ATOM 1080 CA ASP A 70 9.387 17.836 -5.111 1.00 0.00 C ATOM 1081 C ASP A 70 8.220 17.532 -6.045 1.00 0.00 C ATOM 1082 O ASP A 70 8.104 18.117 -7.122 1.00 0.00 O ATOM 1083 CB ASP A 70 10.364 18.796 -5.792 1.00 0.00 C ATOM 1084 CG ASP A 70 11.222 18.105 -6.835 1.00 0.00 C ATOM 1085 OD1 ASP A 70 12.191 17.421 -6.446 1.00 0.00 O ATOM 1086 OD2 ASP A 70 10.924 18.250 -8.039 1.00 0.00 O ATOM 0 H ASP A 70 10.677 16.216 -5.440 1.00 0.00 H new ATOM 0 HA ASP A 70 8.995 18.307 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.805 19.605 -6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.008 19.250 -5.039 1.00 0.00 H new ATOM 1091 N SER A 71 7.357 16.613 -5.625 1.00 0.00 N ATOM 1092 CA SER A 71 6.200 16.227 -6.425 1.00 0.00 C ATOM 1093 C SER A 71 5.015 17.146 -6.145 1.00 0.00 C ATOM 1094 O SER A 71 5.068 17.992 -5.252 1.00 0.00 O ATOM 1095 CB SER A 71 5.814 14.775 -6.136 1.00 0.00 C ATOM 1096 OG SER A 71 6.883 13.894 -6.435 1.00 0.00 O ATOM 0 H SER A 71 7.437 16.121 -4.735 1.00 0.00 H new ATOM 0 HA SER A 71 6.469 16.321 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.536 14.671 -5.087 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.939 14.504 -6.726 1.00 0.00 H new ATOM 0 HG SER A 71 6.598 13.254 -7.120 1.00 0.00 H new ATOM 1102 N SER A 72 3.946 16.973 -6.915 1.00 0.00 N ATOM 1103 CA SER A 72 2.747 17.789 -6.754 1.00 0.00 C ATOM 1104 C SER A 72 1.586 16.950 -6.229 1.00 0.00 C ATOM 1105 O SER A 72 1.538 15.732 -6.403 1.00 0.00 O ATOM 1106 CB SER A 72 2.363 18.437 -8.085 1.00 0.00 C ATOM 1107 OG SER A 72 2.994 19.697 -8.240 1.00 0.00 O ATOM 0 H SER A 72 3.885 16.275 -7.657 1.00 0.00 H new ATOM 0 HA SER A 72 2.964 18.572 -6.027 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.647 17.781 -8.908 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.281 18.560 -8.134 1.00 0.00 H new ATOM 0 HG SER A 72 2.734 20.090 -9.099 1.00 0.00 H new ATOM 1113 N PRO A 73 0.626 17.616 -5.572 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.554 16.953 -5.008 1.00 0.00 C ATOM 1115 C PRO A 73 -1.507 16.450 -6.087 1.00 0.00 C ATOM 1116 O PRO A 73 -1.912 15.287 -6.077 1.00 0.00 O ATOM 1117 CB PRO A 73 -1.219 18.056 -4.181 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.772 19.328 -4.815 1.00 0.00 C ATOM 1119 CD PRO A 73 0.617 19.069 -5.328 1.00 0.00 C ATOM 0 HA PRO A 73 -0.287 16.069 -4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.305 17.965 -4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.913 18.006 -3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.440 19.615 -5.627 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.776 20.146 -4.094 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.820 19.631 -6.240 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.375 19.359 -4.600 1.00 0.00 H new ATOM 1127 N SER A 74 -1.859 17.331 -7.018 1.00 0.00 N ATOM 1128 CA SER A 74 -2.767 16.976 -8.102 1.00 0.00 C ATOM 1129 C SER A 74 -2.171 15.871 -8.969 1.00 0.00 C ATOM 1130 O SER A 74 -2.868 14.940 -9.371 1.00 0.00 O ATOM 1131 CB SER A 74 -3.074 18.204 -8.961 1.00 0.00 C ATOM 1132 OG SER A 74 -3.099 19.383 -8.175 1.00 0.00 O ATOM 0 H SER A 74 -1.529 18.296 -7.043 1.00 0.00 H new ATOM 0 HA SER A 74 -3.694 16.609 -7.661 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.322 18.301 -9.744 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.036 18.073 -9.457 1.00 0.00 H new ATOM 0 HG SER A 74 -3.295 20.154 -8.748 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.878 15.983 -9.253 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.188 14.994 -10.073 1.00 0.00 C ATOM 1140 C GLN A 75 -0.112 13.650 -9.357 1.00 0.00 C ATOM 1141 O GLN A 75 0.090 12.611 -9.985 1.00 0.00 O ATOM 1142 CB GLN A 75 1.221 15.480 -10.419 1.00 0.00 C ATOM 1143 CG GLN A 75 1.241 16.804 -11.167 1.00 0.00 C ATOM 1144 CD GLN A 75 2.596 17.111 -11.773 1.00 0.00 C ATOM 1145 OE1 GLN A 75 3.085 16.379 -12.633 1.00 0.00 O ATOM 1146 NE2 GLN A 75 3.211 18.200 -11.326 1.00 0.00 N ATOM 0 H GLN A 75 -0.287 16.748 -8.928 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.757 14.863 -10.994 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.797 15.583 -9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.719 14.723 -11.024 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.490 16.782 -11.957 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.962 17.607 -10.485 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.769 18.779 -10.612 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.125 18.458 -11.697 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.276 13.678 -8.038 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.229 12.461 -7.236 1.00 0.00 C ATOM 1157 C ALA A 76 -1.608 11.819 -7.130 1.00 0.00 C ATOM 1158 O ALA A 76 -1.728 10.630 -6.838 1.00 0.00 O ATOM 1159 CB ALA A 76 0.323 12.763 -5.851 1.00 0.00 C ATOM 0 H ALA A 76 -0.443 14.530 -7.502 1.00 0.00 H new ATOM 0 HA ALA A 76 0.434 11.753 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.352 11.846 -5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.331 13.169 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.318 13.492 -5.355 1.00 0.00 H new ATOM 1165 N MET A 77 -2.645 12.614 -7.369 1.00 0.00 N ATOM 1166 CA MET A 77 -4.016 12.122 -7.300 1.00 0.00 C ATOM 1167 C MET A 77 -4.419 11.452 -8.610 1.00 0.00 C ATOM 1168 O MET A 77 -5.153 10.464 -8.611 1.00 0.00 O ATOM 1169 CB MET A 77 -4.978 13.269 -6.984 1.00 0.00 C ATOM 1170 CG MET A 77 -4.790 13.854 -5.594 1.00 0.00 C ATOM 1171 SD MET A 77 -5.983 15.153 -5.219 1.00 0.00 S ATOM 1172 CE MET A 77 -4.938 16.343 -4.383 1.00 0.00 C ATOM 0 H MET A 77 -2.563 13.601 -7.612 1.00 0.00 H new ATOM 0 HA MET A 77 -4.070 11.382 -6.501 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.844 14.059 -7.723 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.003 12.911 -7.083 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.880 13.059 -4.854 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.781 14.257 -5.507 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.513 17.244 -4.167 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.572 15.914 -3.450 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.092 16.597 -5.022 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.935 11.996 -9.722 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.247 11.450 -11.037 1.00 0.00 C ATOM 1184 C GLN A 78 -3.885 9.970 -11.112 1.00 0.00 C ATOM 1185 O GLN A 78 -4.701 9.142 -11.516 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.501 12.225 -12.124 1.00 0.00 C ATOM 1187 CG GLN A 78 -4.006 13.646 -12.314 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.838 14.140 -13.737 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.727 14.176 -14.267 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.943 14.525 -14.365 1.00 0.00 N ATOM 0 H GLN A 78 -3.326 12.814 -9.738 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.320 11.552 -11.199 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.441 12.256 -11.874 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.590 11.687 -13.068 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.060 13.693 -12.039 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.470 14.311 -11.637 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.843 14.478 -13.888 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.891 14.867 -15.324 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.656 9.646 -10.722 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.187 8.265 -10.746 1.00 0.00 C ATOM 1201 C GLU A 79 -2.841 7.448 -9.636 1.00 0.00 C ATOM 1202 O GLU A 79 -3.271 6.315 -9.855 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.664 8.218 -10.600 1.00 0.00 C ATOM 1204 CG GLU A 79 0.078 8.906 -11.733 1.00 0.00 C ATOM 1205 CD GLU A 79 -0.406 8.464 -13.100 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -1.513 8.881 -13.501 1.00 0.00 O ATOM 1207 OE2 GLU A 79 0.322 7.701 -13.770 1.00 0.00 O ATOM 0 H GLU A 79 -1.968 10.320 -10.386 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.467 7.830 -11.706 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.383 8.686 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.345 7.177 -10.547 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.044 9.985 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.144 8.697 -11.644 1.00 0.00 H new ATOM 1214 N TYR A 80 -2.913 8.031 -8.445 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.512 7.357 -7.299 1.00 0.00 C ATOM 1216 C TYR A 80 -4.948 6.939 -7.602 1.00 0.00 C ATOM 1217 O TYR A 80 -5.465 5.987 -7.018 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.483 8.269 -6.072 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.310 7.754 -4.915 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.696 7.691 -5.001 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.707 7.333 -3.737 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.456 7.223 -3.947 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.460 6.861 -2.679 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.834 6.809 -2.788 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.587 6.341 -1.736 1.00 0.00 O ATOM 0 H TYR A 80 -2.564 8.969 -8.248 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.928 6.461 -7.091 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.451 8.390 -5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.846 9.257 -6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.187 8.013 -5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.632 7.375 -3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.532 7.181 -4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.975 6.534 -1.771 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.214 6.673 -0.893 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.585 7.658 -8.521 1.00 0.00 N ATOM 1236 CA ILE A 81 -6.960 7.362 -8.903 1.00 0.00 C ATOM 1237 C ILE A 81 -7.007 6.349 -10.042 1.00 0.00 C ATOM 1238 O ILE A 81 -7.503 5.235 -9.876 1.00 0.00 O ATOM 1239 CB ILE A 81 -7.711 8.636 -9.333 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.286 9.352 -8.109 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -8.817 8.291 -10.319 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.437 10.845 -8.298 1.00 0.00 C ATOM 0 H ILE A 81 -5.171 8.449 -9.014 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.449 6.941 -8.024 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.007 9.307 -9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.260 8.924 -7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.639 9.166 -7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.339 9.201 -10.614 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.384 7.819 -11.201 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.522 7.605 -9.850 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.850 11.287 -7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.462 11.286 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.108 11.040 -9.134 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.486 6.743 -11.200 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.465 5.869 -12.366 1.00 0.00 C ATOM 1256 C ALA A 82 -6.310 4.409 -11.954 1.00 0.00 C ATOM 1257 O ALA A 82 -7.134 3.564 -12.304 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.343 6.274 -13.310 1.00 0.00 C ATOM 0 H ALA A 82 -6.073 7.663 -11.355 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.417 5.975 -12.885 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.340 5.612 -14.176 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.497 7.302 -13.639 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.387 6.199 -12.792 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.249 4.118 -11.209 1.00 0.00 N ATOM 1265 CA VAL A 83 -4.986 2.759 -10.749 1.00 0.00 C ATOM 1266 C VAL A 83 -6.258 2.100 -10.227 1.00 0.00 C ATOM 1267 O VAL A 83 -6.668 1.046 -10.713 1.00 0.00 O ATOM 1268 CB VAL A 83 -3.918 2.739 -9.639 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.188 3.833 -8.618 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -3.872 1.373 -8.970 1.00 0.00 C ATOM 0 H VAL A 83 -4.557 4.805 -10.911 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.617 2.200 -11.609 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.945 2.930 -10.091 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.423 3.803 -7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.166 4.805 -9.112 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.168 3.677 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.112 1.376 -8.188 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.844 1.150 -8.530 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.626 0.613 -9.712 1.00 0.00 H new ATOM 1280 N VAL A 84 -6.880 2.729 -9.235 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.107 2.205 -8.647 1.00 0.00 C ATOM 1282 C VAL A 84 -9.134 1.875 -9.724 1.00 0.00 C ATOM 1283 O VAL A 84 -10.025 1.050 -9.517 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.725 3.206 -7.653 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.636 3.935 -6.882 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.626 4.192 -8.382 1.00 0.00 C ATOM 0 H VAL A 84 -6.554 3.603 -8.821 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.839 1.293 -8.113 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.334 2.653 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.092 4.638 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.036 3.212 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -6.998 4.478 -7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.055 4.892 -7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.042 4.741 -9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.428 3.650 -8.883 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.005 2.523 -10.876 1.00 0.00 N ATOM 1297 CA LYS A 85 -9.920 2.298 -11.989 1.00 0.00 C ATOM 1298 C LYS A 85 -9.608 0.981 -12.693 1.00 0.00 C ATOM 1299 O LYS A 85 -10.506 0.305 -13.193 1.00 0.00 O ATOM 1300 CB LYS A 85 -9.836 3.455 -12.988 1.00 0.00 C ATOM 1301 CG LYS A 85 -9.881 4.826 -12.336 1.00 0.00 C ATOM 1302 CD LYS A 85 -9.904 5.936 -13.373 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.217 5.956 -14.139 1.00 0.00 C ATOM 1304 NZ LYS A 85 -11.331 7.155 -15.014 1.00 0.00 N ATOM 0 H LYS A 85 -8.274 3.210 -11.064 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.932 2.245 -11.589 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.912 3.364 -13.560 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.659 3.372 -13.697 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.765 4.900 -11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.014 4.950 -11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.754 6.897 -12.882 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.077 5.801 -14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.297 5.054 -14.746 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.049 5.940 -13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.240 7.131 -15.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.281 8.015 -14.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.552 7.157 -15.703 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.329 0.622 -12.726 1.00 0.00 N ATOM 1319 CA LYS A 86 -7.898 -0.615 -13.365 1.00 0.00 C ATOM 1320 C LYS A 86 -8.316 -1.828 -12.540 1.00 0.00 C ATOM 1321 O LYS A 86 -8.599 -2.895 -13.086 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.379 -0.613 -13.555 1.00 0.00 C ATOM 1323 CG LYS A 86 -5.899 0.371 -14.607 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.488 1.695 -13.986 1.00 0.00 C ATOM 1325 CE LYS A 86 -5.757 2.860 -14.927 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.644 3.059 -15.896 1.00 0.00 N ATOM 0 H LYS A 86 -7.573 1.171 -12.317 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.380 -0.678 -14.341 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.903 -0.376 -12.604 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.055 -1.616 -13.833 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.054 -0.056 -15.147 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.691 0.541 -15.336 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.033 1.846 -13.054 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.428 1.666 -13.734 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.684 2.681 -15.471 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.900 3.771 -14.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.866 3.862 -16.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.764 3.255 -15.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.524 2.199 -16.469 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.354 -1.658 -11.223 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.739 -2.739 -10.323 1.00 0.00 C ATOM 1342 C LEU A 87 -10.240 -3.000 -10.396 1.00 0.00 C ATOM 1343 O LEU A 87 -10.681 -4.149 -10.397 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.339 -2.400 -8.886 1.00 0.00 C ATOM 1345 CG LEU A 87 -6.970 -1.741 -8.708 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.852 -1.120 -7.325 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.857 -2.754 -8.937 1.00 0.00 C ATOM 0 H LEU A 87 -8.123 -0.782 -10.755 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.216 -3.642 -10.636 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.096 -1.738 -8.466 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.357 -3.318 -8.299 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.871 -0.948 -9.449 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.872 -0.656 -7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.627 -0.364 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.973 -1.894 -6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.890 -2.268 -8.806 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.953 -3.569 -8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.929 -3.151 -9.949 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.019 -1.926 -10.460 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.471 -2.038 -10.538 1.00 0.00 C ATOM 1361 C ASP A 88 -13.039 -1.055 -11.557 1.00 0.00 C ATOM 1362 O ASP A 88 -13.120 0.149 -11.315 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.098 -1.788 -9.165 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.603 -1.965 -9.174 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.291 -1.154 -9.829 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.093 -2.914 -8.527 1.00 0.00 O ATOM 0 H ASP A 88 -10.669 -0.968 -10.459 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.715 -3.050 -10.862 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.659 -2.472 -8.439 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.856 -0.777 -8.837 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.440 -1.579 -12.725 1.00 0.00 N ATOM 1372 CA PRO A 89 -14.006 -0.765 -13.804 1.00 0.00 C ATOM 1373 C PRO A 89 -15.390 -0.225 -13.459 1.00 0.00 C ATOM 1374 O PRO A 89 -15.792 0.834 -13.939 1.00 0.00 O ATOM 1375 CB PRO A 89 -14.092 -1.743 -14.979 1.00 0.00 C ATOM 1376 CG PRO A 89 -14.182 -3.088 -14.345 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.372 -3.006 -13.081 1.00 0.00 C ATOM 0 HA PRO A 89 -13.400 0.117 -14.009 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.964 -1.539 -15.601 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.216 -1.666 -15.623 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -15.218 -3.348 -14.128 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.792 -3.859 -15.009 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.788 -3.637 -12.295 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.344 -3.332 -13.240 1.00 0.00 H new ATOM 1385 N GLY A 90 -16.115 -0.961 -12.621 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.446 -0.539 -12.225 1.00 0.00 C ATOM 1387 C GLY A 90 -17.425 0.434 -11.063 1.00 0.00 C ATOM 1388 O GLY A 90 -18.100 0.223 -10.056 1.00 0.00 O ATOM 0 H GLY A 90 -15.804 -1.841 -12.210 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.944 -0.073 -13.075 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -18.035 -1.414 -11.951 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.647 1.501 -11.202 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.539 2.510 -10.154 1.00 0.00 C ATOM 1394 C TRP A 91 -17.198 3.815 -10.585 1.00 0.00 C ATOM 1395 O TRP A 91 -16.762 4.456 -11.540 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.070 2.757 -9.805 1.00 0.00 C ATOM 1397 CG TRP A 91 -14.867 3.919 -8.881 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -15.655 4.272 -7.823 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -13.807 4.881 -8.933 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.149 5.396 -7.214 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.016 5.788 -7.876 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -12.702 5.062 -9.768 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.160 6.860 -7.635 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -11.854 6.127 -9.528 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.086 7.014 -8.469 1.00 0.00 C ATOM 0 H TRP A 91 -16.082 1.690 -12.030 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.058 2.137 -9.271 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -14.657 1.859 -9.345 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.510 2.930 -10.724 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -16.545 3.746 -7.511 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -15.552 5.862 -6.401 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.514 4.382 -10.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.337 7.545 -6.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -10.997 6.278 -10.168 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.404 7.836 -8.308 1.00 0.00 H new ATOM 1416 N ASN A 92 -18.252 4.204 -9.874 1.00 0.00 N ATOM 1417 CA ASN A 92 -18.972 5.434 -10.184 1.00 0.00 C ATOM 1418 C ASN A 92 -18.802 6.460 -9.068 1.00 0.00 C ATOM 1419 O ASN A 92 -19.618 6.558 -8.152 1.00 0.00 O ATOM 1420 CB ASN A 92 -20.458 5.139 -10.399 1.00 0.00 C ATOM 1421 CG ASN A 92 -21.001 4.141 -9.394 1.00 0.00 C ATOM 1422 OD1 ASN A 92 -20.438 3.963 -8.313 1.00 0.00 O ATOM 1423 ND2 ASN A 92 -22.100 3.485 -9.746 1.00 0.00 N ATOM 0 H ASN A 92 -18.626 3.685 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.554 5.849 -11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -21.024 6.068 -10.327 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -20.607 4.753 -11.407 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.512 2.801 -9.111 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.533 3.664 -10.652 1.00 0.00 H new ATOM 1430 N PRO A 93 -17.716 7.243 -9.145 1.00 0.00 N ATOM 1431 CA PRO A 93 -17.413 8.277 -8.151 1.00 0.00 C ATOM 1432 C PRO A 93 -18.385 9.450 -8.220 1.00 0.00 C ATOM 1433 O PRO A 93 -18.708 10.060 -7.201 1.00 0.00 O ATOM 1434 CB PRO A 93 -16.000 8.730 -8.529 1.00 0.00 C ATOM 1435 CG PRO A 93 -15.879 8.420 -9.981 1.00 0.00 C ATOM 1436 CD PRO A 93 -16.700 7.181 -10.210 1.00 0.00 C ATOM 0 HA PRO A 93 -17.496 7.899 -7.132 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.861 9.794 -8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -15.246 8.201 -7.947 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.244 9.248 -10.589 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.838 8.255 -10.259 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.156 7.178 -11.200 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.094 6.278 -10.135 1.00 0.00 H new ATOM 1444 N GLN A 94 -18.847 9.759 -9.427 1.00 0.00 N ATOM 1445 CA GLN A 94 -19.782 10.860 -9.627 1.00 0.00 C ATOM 1446 C GLN A 94 -21.222 10.358 -9.626 1.00 0.00 C ATOM 1447 O GLN A 94 -21.795 10.085 -10.681 1.00 0.00 O ATOM 1448 CB GLN A 94 -19.482 11.579 -10.943 1.00 0.00 C ATOM 1449 CG GLN A 94 -20.126 12.952 -11.047 1.00 0.00 C ATOM 1450 CD GLN A 94 -20.189 13.461 -12.474 1.00 0.00 C ATOM 1451 OE1 GLN A 94 -19.255 13.274 -13.254 1.00 0.00 O ATOM 1452 NE2 GLN A 94 -21.295 14.109 -12.823 1.00 0.00 N ATOM 0 H GLN A 94 -18.590 9.263 -10.280 1.00 0.00 H new ATOM 0 HA GLN A 94 -19.660 11.561 -8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.403 11.684 -11.052 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -19.827 10.961 -11.772 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -21.135 12.908 -10.636 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -19.564 13.660 -10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -22.044 14.241 -12.144 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.395 14.474 -13.770 1.00 0.00 H new ATOM 1461 N ILE A 95 -21.801 10.238 -8.436 1.00 0.00 N ATOM 1462 CA ILE A 95 -23.174 9.769 -8.298 1.00 0.00 C ATOM 1463 C ILE A 95 -24.095 10.893 -7.836 1.00 0.00 C ATOM 1464 O ILE A 95 -23.797 11.624 -6.891 1.00 0.00 O ATOM 1465 CB ILE A 95 -23.272 8.598 -7.303 1.00 0.00 C ATOM 1466 CG1 ILE A 95 -22.390 7.435 -7.762 1.00 0.00 C ATOM 1467 CG2 ILE A 95 -24.718 8.147 -7.157 1.00 0.00 C ATOM 1468 CD1 ILE A 95 -22.919 6.078 -7.355 1.00 0.00 C ATOM 0 H ILE A 95 -21.340 10.459 -7.553 1.00 0.00 H new ATOM 0 HA ILE A 95 -23.490 9.425 -9.283 1.00 0.00 H new ATOM 0 HB ILE A 95 -22.917 8.937 -6.330 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -22.295 7.468 -8.847 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -21.389 7.564 -7.350 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -24.771 7.319 -6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -25.323 8.976 -6.790 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -25.097 7.822 -8.126 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -22.243 5.302 -7.714 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -22.988 6.025 -6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -23.908 5.928 -7.789 1.00 0.00 H new ATOM 1480 N PRO A 96 -25.243 11.035 -8.515 1.00 0.00 N ATOM 1481 CA PRO A 96 -26.233 12.066 -8.190 1.00 0.00 C ATOM 1482 C PRO A 96 -26.936 11.797 -6.864 1.00 0.00 C ATOM 1483 O PRO A 96 -27.025 12.678 -6.009 1.00 0.00 O ATOM 1484 CB PRO A 96 -27.227 11.981 -9.350 1.00 0.00 C ATOM 1485 CG PRO A 96 -27.102 10.585 -9.855 1.00 0.00 C ATOM 1486 CD PRO A 96 -25.663 10.199 -9.652 1.00 0.00 C ATOM 0 HA PRO A 96 -25.776 13.049 -8.074 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -28.243 12.192 -9.017 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -26.990 12.706 -10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -27.767 9.913 -9.313 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -27.378 10.525 -10.908 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -25.559 9.137 -9.430 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -25.064 10.399 -10.541 1.00 0.00 H new ATOM 1494 N GLU A 97 -27.435 10.576 -6.701 1.00 0.00 N ATOM 1495 CA GLU A 97 -28.131 10.193 -5.478 1.00 0.00 C ATOM 1496 C GLU A 97 -27.367 10.668 -4.246 1.00 0.00 C ATOM 1497 O GLU A 97 -26.213 11.088 -4.339 1.00 0.00 O ATOM 1498 CB GLU A 97 -28.314 8.675 -5.424 1.00 0.00 C ATOM 1499 CG GLU A 97 -29.220 8.211 -4.295 1.00 0.00 C ATOM 1500 CD GLU A 97 -29.746 6.805 -4.509 1.00 0.00 C ATOM 1501 OE1 GLU A 97 -28.925 5.894 -4.745 1.00 0.00 O ATOM 1502 OE2 GLU A 97 -30.978 6.616 -4.442 1.00 0.00 O ATOM 0 H GLU A 97 -27.370 9.836 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 97 -29.111 10.670 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -28.726 8.333 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -27.338 8.203 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -28.671 8.250 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -30.060 8.899 -4.202 1.00 0.00 H new ATOM 1509 N LYS A 98 -28.019 10.600 -3.090 1.00 0.00 N ATOM 1510 CA LYS A 98 -27.404 11.022 -1.838 1.00 0.00 C ATOM 1511 C LYS A 98 -27.964 10.228 -0.662 1.00 0.00 C ATOM 1512 O LYS A 98 -29.173 10.018 -0.561 1.00 0.00 O ATOM 1513 CB LYS A 98 -27.633 12.518 -1.612 1.00 0.00 C ATOM 1514 CG LYS A 98 -26.652 13.142 -0.634 1.00 0.00 C ATOM 1515 CD LYS A 98 -25.302 13.396 -1.283 1.00 0.00 C ATOM 1516 CE LYS A 98 -25.354 14.585 -2.230 1.00 0.00 C ATOM 1517 NZ LYS A 98 -24.015 14.895 -2.805 1.00 0.00 N ATOM 0 H LYS A 98 -28.975 10.256 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 98 -26.333 10.831 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -27.560 13.037 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -28.647 12.670 -1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -27.059 14.081 -0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -26.525 12.484 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -24.554 13.577 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -24.987 12.507 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -26.056 14.376 -3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -25.731 15.458 -1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -24.092 15.711 -3.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -23.351 15.119 -2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -23.666 14.071 -3.335 1.00 0.00 H new ATOM 1531 N LYS A 99 -27.079 9.790 0.227 1.00 0.00 N ATOM 1532 CA LYS A 99 -27.484 9.022 1.398 1.00 0.00 C ATOM 1533 C LYS A 99 -28.663 9.686 2.103 1.00 0.00 C ATOM 1534 O LYS A 99 -29.672 9.042 2.385 1.00 0.00 O ATOM 1535 CB LYS A 99 -26.311 8.877 2.370 1.00 0.00 C ATOM 1536 CG LYS A 99 -25.746 10.205 2.843 1.00 0.00 C ATOM 1537 CD LYS A 99 -24.271 10.091 3.191 1.00 0.00 C ATOM 1538 CE LYS A 99 -24.070 9.491 4.574 1.00 0.00 C ATOM 1539 NZ LYS A 99 -22.669 9.658 5.053 1.00 0.00 N ATOM 0 H LYS A 99 -26.075 9.954 0.158 1.00 0.00 H new ATOM 0 HA LYS A 99 -27.794 8.032 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -26.637 8.301 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -25.518 8.306 1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -25.880 10.956 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -26.301 10.548 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -23.767 9.472 2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -23.809 11.077 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -24.754 9.965 5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -24.322 8.431 4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -22.573 9.236 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -22.018 9.184 4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -22.437 10.671 5.100 1.00 0.00 H new ATOM 1553 N GLY A 100 -28.527 10.979 2.383 1.00 0.00 N ATOM 1554 CA GLY A 100 -29.589 11.708 3.051 1.00 0.00 C ATOM 1555 C GLY A 100 -29.064 12.653 4.114 1.00 0.00 C ATOM 1556 O GLY A 100 -27.987 12.437 4.671 1.00 0.00 O ATOM 0 H GLY A 100 -27.701 11.534 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -30.156 12.275 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -30.280 11.000 3.508 1.00 0.00 H new ATOM 1560 N LYS A 101 -29.824 13.706 4.395 1.00 0.00 N ATOM 1561 CA LYS A 101 -29.430 14.689 5.398 1.00 0.00 C ATOM 1562 C LYS A 101 -30.047 14.361 6.753 1.00 0.00 C ATOM 1563 O LYS A 101 -31.128 13.777 6.828 1.00 0.00 O ATOM 1564 CB LYS A 101 -29.853 16.093 4.959 1.00 0.00 C ATOM 1565 CG LYS A 101 -28.967 17.195 5.513 1.00 0.00 C ATOM 1566 CD LYS A 101 -27.821 17.518 4.568 1.00 0.00 C ATOM 1567 CE LYS A 101 -26.592 16.676 4.876 1.00 0.00 C ATOM 1568 NZ LYS A 101 -26.168 16.812 6.297 1.00 0.00 N ATOM 0 H LYS A 101 -30.717 13.901 3.942 1.00 0.00 H new ATOM 0 HA LYS A 101 -28.345 14.657 5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -29.843 16.143 3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -30.881 16.270 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -29.563 18.091 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -28.567 16.890 6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -28.135 17.342 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -27.569 18.575 4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -26.805 15.629 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -25.773 16.976 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.139 16.955 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -26.649 17.628 6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -26.420 15.948 6.819 1.00 0.00 H new ATOM 1582 N GLU A 102 -29.354 14.742 7.822 1.00 0.00 N ATOM 1583 CA GLU A 102 -29.837 14.488 9.175 1.00 0.00 C ATOM 1584 C GLU A 102 -31.323 14.811 9.292 1.00 0.00 C ATOM 1585 O GLU A 102 -31.849 15.643 8.553 1.00 0.00 O ATOM 1586 CB GLU A 102 -29.042 15.316 10.187 1.00 0.00 C ATOM 1587 CG GLU A 102 -27.749 14.655 10.633 1.00 0.00 C ATOM 1588 CD GLU A 102 -26.721 14.576 9.521 1.00 0.00 C ATOM 1589 OE1 GLU A 102 -26.930 13.791 8.573 1.00 0.00 O ATOM 1590 OE2 GLU A 102 -25.706 15.300 9.599 1.00 0.00 O ATOM 0 H GLU A 102 -28.458 15.227 7.778 1.00 0.00 H new ATOM 0 HA GLU A 102 -29.696 13.429 9.391 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -28.811 16.287 9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -29.666 15.502 11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -27.330 15.213 11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -27.965 13.650 10.995 1.00 0.00 H new ATOM 1597 N ALA A 103 -31.996 14.145 10.225 1.00 0.00 N ATOM 1598 CA ALA A 103 -33.421 14.362 10.441 1.00 0.00 C ATOM 1599 C ALA A 103 -33.663 15.577 11.330 1.00 0.00 C ATOM 1600 O ALA A 103 -34.504 15.543 12.229 1.00 0.00 O ATOM 1601 CB ALA A 103 -34.056 13.122 11.053 1.00 0.00 C ATOM 0 H ALA A 103 -31.577 13.451 10.843 1.00 0.00 H new ATOM 0 HA ALA A 103 -33.885 14.555 9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -35.120 13.298 11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -33.923 12.275 10.380 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -33.580 12.904 12.009 1.00 0.00 H new ATOM 1607 N SER A 104 -32.922 16.650 11.073 1.00 0.00 N ATOM 1608 CA SER A 104 -33.053 17.875 11.853 1.00 0.00 C ATOM 1609 C SER A 104 -34.472 18.427 11.762 1.00 0.00 C ATOM 1610 O SER A 104 -34.757 19.309 10.954 1.00 0.00 O ATOM 1611 CB SER A 104 -32.053 18.925 11.366 1.00 0.00 C ATOM 1612 OG SER A 104 -31.789 19.884 12.374 1.00 0.00 O ATOM 0 H SER A 104 -32.224 16.696 10.330 1.00 0.00 H new ATOM 0 HA SER A 104 -32.840 17.637 12.895 1.00 0.00 H new ATOM 0 HB2 SER A 104 -31.124 18.437 11.071 1.00 0.00 H new ATOM 0 HB3 SER A 104 -32.447 19.423 10.480 1.00 0.00 H new ATOM 0 HG SER A 104 -31.146 20.543 12.038 1.00 0.00 H new ATOM 1618 N GLY A 105 -35.361 17.899 12.599 1.00 0.00 N ATOM 1619 CA GLY A 105 -36.740 18.350 12.598 1.00 0.00 C ATOM 1620 C GLY A 105 -37.709 17.252 12.205 1.00 0.00 C ATOM 1621 O GLY A 105 -37.416 16.412 11.354 1.00 0.00 O ATOM 0 H GLY A 105 -35.150 17.167 13.277 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -36.999 18.721 13.590 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -36.845 19.187 11.908 1.00 0.00 H new ATOM 1625 N PRO A 106 -38.893 17.249 12.836 1.00 0.00 N ATOM 1626 CA PRO A 106 -39.931 16.250 12.564 1.00 0.00 C ATOM 1627 C PRO A 106 -40.556 16.425 11.184 1.00 0.00 C ATOM 1628 O PRO A 106 -41.336 15.585 10.735 1.00 0.00 O ATOM 1629 CB PRO A 106 -40.970 16.512 13.658 1.00 0.00 C ATOM 1630 CG PRO A 106 -40.778 17.942 14.028 1.00 0.00 C ATOM 1631 CD PRO A 106 -39.309 18.220 13.862 1.00 0.00 C ATOM 0 HA PRO A 106 -39.532 15.236 12.569 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -41.981 16.329 13.295 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -40.816 15.857 14.516 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -41.373 18.594 13.388 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -41.096 18.126 15.054 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -39.128 19.246 13.542 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -38.765 18.077 14.795 1.00 0.00 H new ATOM 1639 N SER A 107 -40.208 17.520 10.516 1.00 0.00 N ATOM 1640 CA SER A 107 -40.737 17.805 9.187 1.00 0.00 C ATOM 1641 C SER A 107 -40.744 16.548 8.323 1.00 0.00 C ATOM 1642 O SER A 107 -39.712 15.904 8.137 1.00 0.00 O ATOM 1643 CB SER A 107 -39.910 18.899 8.509 1.00 0.00 C ATOM 1644 OG SER A 107 -40.567 19.394 7.356 1.00 0.00 O ATOM 0 H SER A 107 -39.562 18.224 10.873 1.00 0.00 H new ATOM 0 HA SER A 107 -41.764 18.153 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 107 -39.736 19.715 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 107 -38.933 18.502 8.233 1.00 0.00 H new ATOM 0 HG SER A 107 -40.019 20.093 6.942 1.00 0.00 H new ATOM 1650 N SER A 108 -41.916 16.204 7.798 1.00 0.00 N ATOM 1651 CA SER A 108 -42.060 15.022 6.957 1.00 0.00 C ATOM 1652 C SER A 108 -42.412 15.414 5.525 1.00 0.00 C ATOM 1653 O SER A 108 -43.347 16.179 5.291 1.00 0.00 O ATOM 1654 CB SER A 108 -43.136 14.095 7.524 1.00 0.00 C ATOM 1655 OG SER A 108 -42.982 12.774 7.033 1.00 0.00 O ATOM 0 H SER A 108 -42.780 16.728 7.941 1.00 0.00 H new ATOM 0 HA SER A 108 -41.106 14.495 6.947 1.00 0.00 H new ATOM 0 HB2 SER A 108 -43.080 14.091 8.613 1.00 0.00 H new ATOM 0 HB3 SER A 108 -44.123 14.473 7.257 1.00 0.00 H new ATOM 0 HG SER A 108 -43.681 12.201 7.412 1.00 0.00 H new ATOM 1661 N GLY A 109 -41.656 14.882 4.569 1.00 0.00 N ATOM 1662 CA GLY A 109 -41.903 15.187 3.172 1.00 0.00 C ATOM 1663 C GLY A 109 -42.929 14.262 2.549 1.00 0.00 C ATOM 1664 O GLY A 109 -43.929 13.918 3.180 1.00 0.00 O ATOM 0 H GLY A 109 -40.877 14.245 4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -42.247 16.218 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -40.968 15.114 2.617 1.00 0.00 H new TER 1668 GLY A 109