USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.2!) USER MOD Single : A 10 SER OG : rot 58:sc= 1.27 USER MOD Single : A 12 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-6!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -160:sc= 0.544 USER MOD Single : A 47 LYS NZ :NH3+ 162:sc=-0.00166 (180deg=-0.142) USER MOD Single : A 52 GLN : amide:sc= 1.08 K(o=1.1,f=-0.11) USER MOD Single : A 54 CYS SG : rot -21:sc= -0.554 USER MOD Single : A 65 HIS : no HE2:sc= -1.92! C(o=-1.9!,f=-4.4!) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.401 F(o=-1.2,f=-0.4) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -45:sc= 0.563 USER MOD Single : A 72 GLN : amide:sc= -0.0505 K(o=-0.051,f=-1.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.3) USER MOD Single : A 78 GLN : amide:sc= -0.874 K(o=-0.87,f=-3.8!) USER MOD Single : A 89 GLN : amide:sc= -0.0578 K(o=-0.058,f=-3.3!) USER MOD Single : A 91 HIS : no HD1:sc= -0.681 K(o=-0.68,f=-1.7!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc=-0.00655 USER MOD Single : A 103 SER OG : rot 60:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.519 -0.100 2.916 1.00 0.00 N ATOM 2 CA GLY A 1 -14.558 -0.442 1.506 1.00 0.00 C ATOM 3 C GLY A 1 -15.868 -0.052 0.851 1.00 0.00 C ATOM 4 O GLY A 1 -16.932 -0.538 1.236 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.604 -0.387 3.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.640 0.927 3.028 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.286 -0.595 3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.736 0.056 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.403 -1.515 1.391 1.00 0.00 H new ATOM 8 N SER A 2 -15.793 0.829 -0.142 1.00 0.00 N ATOM 9 CA SER A 2 -16.983 1.289 -0.848 1.00 0.00 C ATOM 10 C SER A 2 -17.327 0.351 -2.001 1.00 0.00 C ATOM 11 O SER A 2 -16.449 -0.300 -2.569 1.00 0.00 O ATOM 12 CB SER A 2 -16.772 2.709 -1.376 1.00 0.00 C ATOM 13 OG SER A 2 -18.005 3.309 -1.733 1.00 0.00 O ATOM 0 H SER A 2 -14.920 1.238 -0.476 1.00 0.00 H new ATOM 0 HA SER A 2 -17.815 1.291 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.277 3.313 -0.616 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.112 2.684 -2.243 1.00 0.00 H new ATOM 0 HG SER A 2 -17.843 4.216 -2.066 1.00 0.00 H new ATOM 19 N SER A 3 -18.610 0.286 -2.341 1.00 0.00 N ATOM 20 CA SER A 3 -19.072 -0.575 -3.424 1.00 0.00 C ATOM 21 C SER A 3 -18.166 -0.445 -4.645 1.00 0.00 C ATOM 22 O SER A 3 -18.135 0.595 -5.301 1.00 0.00 O ATOM 23 CB SER A 3 -20.512 -0.224 -3.803 1.00 0.00 C ATOM 24 OG SER A 3 -21.362 -0.265 -2.670 1.00 0.00 O ATOM 0 H SER A 3 -19.349 0.819 -1.882 1.00 0.00 H new ATOM 0 HA SER A 3 -19.037 -1.607 -3.076 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.542 0.770 -4.248 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.873 -0.922 -4.558 1.00 0.00 H new ATOM 0 HG SER A 3 -22.276 -0.035 -2.938 1.00 0.00 H new ATOM 30 N GLY A 4 -17.429 -1.511 -4.943 1.00 0.00 N ATOM 31 CA GLY A 4 -16.532 -1.497 -6.084 1.00 0.00 C ATOM 32 C GLY A 4 -15.468 -2.573 -5.998 1.00 0.00 C ATOM 33 O GLY A 4 -14.323 -2.295 -5.641 1.00 0.00 O ATOM 0 H GLY A 4 -17.437 -2.384 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.110 -1.634 -6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.052 -0.521 -6.153 1.00 0.00 H new ATOM 37 N SER A 5 -15.846 -3.804 -6.324 1.00 0.00 N ATOM 38 CA SER A 5 -14.916 -4.927 -6.277 1.00 0.00 C ATOM 39 C SER A 5 -13.722 -4.682 -7.193 1.00 0.00 C ATOM 40 O SER A 5 -13.883 -4.297 -8.351 1.00 0.00 O ATOM 41 CB SER A 5 -15.626 -6.221 -6.679 1.00 0.00 C ATOM 42 OG SER A 5 -14.726 -7.316 -6.683 1.00 0.00 O ATOM 0 H SER A 5 -16.789 -4.050 -6.624 1.00 0.00 H new ATOM 0 HA SER A 5 -14.552 -5.024 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.444 -6.421 -5.987 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.067 -6.105 -7.669 1.00 0.00 H new ATOM 0 HG SER A 5 -15.204 -8.131 -6.941 1.00 0.00 H new ATOM 48 N SER A 6 -12.523 -4.909 -6.666 1.00 0.00 N ATOM 49 CA SER A 6 -11.300 -4.710 -7.435 1.00 0.00 C ATOM 50 C SER A 6 -11.335 -5.516 -8.730 1.00 0.00 C ATOM 51 O SER A 6 -10.933 -5.031 -9.787 1.00 0.00 O ATOM 52 CB SER A 6 -10.079 -5.112 -6.604 1.00 0.00 C ATOM 53 OG SER A 6 -8.899 -4.513 -7.110 1.00 0.00 O ATOM 0 H SER A 6 -12.372 -5.231 -5.710 1.00 0.00 H new ATOM 0 HA SER A 6 -11.227 -3.652 -7.688 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.227 -4.812 -5.566 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.972 -6.197 -6.610 1.00 0.00 H new ATOM 0 HG SER A 6 -8.133 -4.784 -6.561 1.00 0.00 H new ATOM 59 N GLY A 7 -11.818 -6.751 -8.639 1.00 0.00 N ATOM 60 CA GLY A 7 -11.897 -7.605 -9.809 1.00 0.00 C ATOM 61 C GLY A 7 -10.932 -8.772 -9.741 1.00 0.00 C ATOM 62 O GLY A 7 -11.125 -9.700 -8.956 1.00 0.00 O ATOM 0 H GLY A 7 -12.156 -7.175 -7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.914 -7.984 -9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.686 -7.015 -10.701 1.00 0.00 H new ATOM 66 N GLN A 8 -9.892 -8.726 -10.567 1.00 0.00 N ATOM 67 CA GLN A 8 -8.894 -9.789 -10.599 1.00 0.00 C ATOM 68 C GLN A 8 -8.616 -10.317 -9.195 1.00 0.00 C ATOM 69 O GLN A 8 -7.850 -9.721 -8.439 1.00 0.00 O ATOM 70 CB GLN A 8 -7.598 -9.283 -11.233 1.00 0.00 C ATOM 71 CG GLN A 8 -6.543 -10.363 -11.407 1.00 0.00 C ATOM 72 CD GLN A 8 -5.612 -10.088 -12.571 1.00 0.00 C ATOM 73 OE1 GLN A 8 -6.017 -9.517 -13.584 1.00 0.00 O ATOM 74 NE2 GLN A 8 -4.355 -10.493 -12.433 1.00 0.00 N ATOM 0 H GLN A 8 -9.718 -7.964 -11.223 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.289 -10.606 -11.203 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.825 -8.849 -12.207 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.189 -8.484 -10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.958 -10.445 -10.491 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.034 -11.324 -11.559 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.062 -10.962 -11.576 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.683 -10.335 -13.184 1.00 0.00 H new ATOM 83 N ALA A 9 -9.243 -11.438 -8.855 1.00 0.00 N ATOM 84 CA ALA A 9 -9.062 -12.046 -7.542 1.00 0.00 C ATOM 85 C ALA A 9 -7.766 -12.848 -7.484 1.00 0.00 C ATOM 86 O ALA A 9 -7.494 -13.671 -8.357 1.00 0.00 O ATOM 87 CB ALA A 9 -10.250 -12.934 -7.203 1.00 0.00 C ATOM 0 H ALA A 9 -9.881 -11.944 -9.470 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.998 -11.247 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.101 -13.381 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.161 -12.336 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.340 -13.722 -7.950 1.00 0.00 H new ATOM 93 N SER A 10 -6.969 -12.601 -6.448 1.00 0.00 N ATOM 94 CA SER A 10 -5.699 -13.297 -6.278 1.00 0.00 C ATOM 95 C SER A 10 -5.048 -12.923 -4.950 1.00 0.00 C ATOM 96 O SER A 10 -5.625 -12.191 -4.148 1.00 0.00 O ATOM 97 CB SER A 10 -4.753 -12.966 -7.434 1.00 0.00 C ATOM 98 OG SER A 10 -4.911 -13.884 -8.502 1.00 0.00 O ATOM 0 H SER A 10 -7.181 -11.924 -5.715 1.00 0.00 H new ATOM 0 HA SER A 10 -5.898 -14.369 -6.276 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.948 -11.954 -7.789 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.722 -12.987 -7.082 1.00 0.00 H new ATOM 0 HG SER A 10 -5.841 -13.869 -8.812 1.00 0.00 H new ATOM 104 N GLY A 11 -3.841 -13.433 -4.726 1.00 0.00 N ATOM 105 CA GLY A 11 -3.130 -13.143 -3.494 1.00 0.00 C ATOM 106 C GLY A 11 -3.392 -11.736 -2.992 1.00 0.00 C ATOM 107 O GLY A 11 -3.688 -11.535 -1.813 1.00 0.00 O ATOM 0 H GLY A 11 -3.343 -14.042 -5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.427 -13.860 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.060 -13.275 -3.656 1.00 0.00 H new ATOM 111 N HIS A 12 -3.280 -10.760 -3.886 1.00 0.00 N ATOM 112 CA HIS A 12 -3.506 -9.364 -3.527 1.00 0.00 C ATOM 113 C HIS A 12 -4.600 -9.245 -2.471 1.00 0.00 C ATOM 114 O HIS A 12 -5.730 -9.688 -2.681 1.00 0.00 O ATOM 115 CB HIS A 12 -3.885 -8.552 -4.765 1.00 0.00 C ATOM 116 CG HIS A 12 -3.210 -9.018 -6.018 1.00 0.00 C ATOM 117 ND1 HIS A 12 -3.639 -10.111 -6.742 1.00 0.00 N ATOM 118 CD2 HIS A 12 -2.131 -8.533 -6.676 1.00 0.00 C ATOM 119 CE1 HIS A 12 -2.852 -10.279 -7.790 1.00 0.00 C ATOM 120 NE2 HIS A 12 -1.929 -9.334 -7.773 1.00 0.00 N ATOM 0 H HIS A 12 -3.034 -10.909 -4.865 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.580 -8.967 -3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.965 -8.601 -4.904 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.633 -7.506 -4.594 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.539 -7.676 -6.391 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.947 -11.056 -8.534 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.187 -9.218 -8.463 1.00 0.00 H new ATOM 129 N PHE A 13 -4.258 -8.646 -1.335 1.00 0.00 N ATOM 130 CA PHE A 13 -5.211 -8.471 -0.246 1.00 0.00 C ATOM 131 C PHE A 13 -5.251 -7.016 0.213 1.00 0.00 C ATOM 132 O PHE A 13 -4.366 -6.226 -0.115 1.00 0.00 O ATOM 133 CB PHE A 13 -4.845 -9.378 0.931 1.00 0.00 C ATOM 134 CG PHE A 13 -3.536 -9.025 1.576 1.00 0.00 C ATOM 135 CD1 PHE A 13 -3.472 -8.049 2.557 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.368 -9.671 1.202 1.00 0.00 C ATOM 137 CE1 PHE A 13 -2.268 -7.722 3.151 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.161 -9.348 1.793 1.00 0.00 C ATOM 139 CZ PHE A 13 -1.111 -8.373 2.770 1.00 0.00 C ATOM 0 H PHE A 13 -3.328 -8.274 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.200 -8.745 -0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.636 -9.325 1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.803 -10.411 0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.373 -7.538 2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.401 -10.436 0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.232 -6.958 3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.258 -9.858 1.491 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.170 -8.120 3.235 1.00 0.00 H new ATOM 149 N SER A 14 -6.284 -6.670 0.973 1.00 0.00 N ATOM 150 CA SER A 14 -6.443 -5.309 1.474 1.00 0.00 C ATOM 151 C SER A 14 -6.076 -5.228 2.953 1.00 0.00 C ATOM 152 O SER A 14 -6.072 -6.237 3.659 1.00 0.00 O ATOM 153 CB SER A 14 -7.882 -4.832 1.267 1.00 0.00 C ATOM 154 OG SER A 14 -8.797 -5.646 1.980 1.00 0.00 O ATOM 0 H SER A 14 -7.024 -7.313 1.256 1.00 0.00 H new ATOM 0 HA SER A 14 -5.769 -4.661 0.914 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.977 -3.798 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.125 -4.851 0.205 1.00 0.00 H new ATOM 0 HG SER A 14 -9.709 -5.319 1.833 1.00 0.00 H new ATOM 160 N VAL A 15 -5.769 -4.020 3.415 1.00 0.00 N ATOM 161 CA VAL A 15 -5.401 -3.806 4.809 1.00 0.00 C ATOM 162 C VAL A 15 -6.375 -2.853 5.493 1.00 0.00 C ATOM 163 O VAL A 15 -6.712 -1.800 4.952 1.00 0.00 O ATOM 164 CB VAL A 15 -3.974 -3.240 4.933 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.616 -3.007 6.393 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.972 -4.175 4.272 1.00 0.00 C ATOM 0 H VAL A 15 -5.768 -3.175 2.844 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.442 -4.778 5.300 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.936 -2.280 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.604 -2.607 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.317 -2.296 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.670 -3.951 6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.969 -3.760 4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.010 -5.150 4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.219 -4.285 3.216 1.00 0.00 H new ATOM 176 N GLU A 16 -6.823 -3.229 6.687 1.00 0.00 N ATOM 177 CA GLU A 16 -7.759 -2.407 7.445 1.00 0.00 C ATOM 178 C GLU A 16 -7.167 -2.015 8.796 1.00 0.00 C ATOM 179 O GLU A 16 -6.729 -2.870 9.567 1.00 0.00 O ATOM 180 CB GLU A 16 -9.077 -3.155 7.652 1.00 0.00 C ATOM 181 CG GLU A 16 -10.281 -2.238 7.791 1.00 0.00 C ATOM 182 CD GLU A 16 -11.552 -2.992 8.132 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.584 -3.649 9.194 1.00 0.00 O ATOM 184 OE2 GLU A 16 -12.513 -2.926 7.338 1.00 0.00 O ATOM 0 H GLU A 16 -6.553 -4.097 7.150 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.951 -1.499 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.239 -3.829 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.997 -3.774 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.082 -1.499 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.426 -1.691 6.859 1.00 0.00 H new ATOM 191 N LEU A 17 -7.157 -0.716 9.076 1.00 0.00 N ATOM 192 CA LEU A 17 -6.619 -0.209 10.334 1.00 0.00 C ATOM 193 C LEU A 17 -7.293 1.103 10.724 1.00 0.00 C ATOM 194 O LEU A 17 -8.051 1.680 9.944 1.00 0.00 O ATOM 195 CB LEU A 17 -5.108 -0.004 10.219 1.00 0.00 C ATOM 196 CG LEU A 17 -4.273 -1.270 10.023 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.854 -0.914 9.606 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.263 -2.106 11.295 1.00 0.00 C ATOM 0 H LEU A 17 -7.515 0.005 8.449 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.821 -0.946 11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.915 0.668 9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.760 0.501 11.120 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.727 -1.861 9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.274 -1.827 9.471 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.879 -0.358 8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.391 -0.301 10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.664 -3.003 11.136 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.835 -1.523 12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.283 -2.392 11.551 1.00 0.00 H new ATOM 210 N VAL A 18 -7.010 1.570 11.936 1.00 0.00 N ATOM 211 CA VAL A 18 -7.585 2.816 12.429 1.00 0.00 C ATOM 212 C VAL A 18 -6.497 3.783 12.880 1.00 0.00 C ATOM 213 O VAL A 18 -5.734 3.490 13.800 1.00 0.00 O ATOM 214 CB VAL A 18 -8.550 2.562 13.603 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.162 3.869 14.083 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.633 1.574 13.198 1.00 0.00 C ATOM 0 H VAL A 18 -6.386 1.104 12.595 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.139 3.258 11.601 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.985 2.128 14.428 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.841 3.670 14.912 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.371 4.541 14.415 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.714 4.334 13.266 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.306 1.406 14.039 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.197 1.977 12.357 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.173 0.629 12.907 1.00 0.00 H new ATOM 226 N ARG A 19 -6.432 4.938 12.225 1.00 0.00 N ATOM 227 CA ARG A 19 -5.436 5.950 12.558 1.00 0.00 C ATOM 228 C ARG A 19 -5.262 6.065 14.070 1.00 0.00 C ATOM 229 O ARG A 19 -6.218 6.335 14.796 1.00 0.00 O ATOM 230 CB ARG A 19 -5.841 7.305 11.976 1.00 0.00 C ATOM 231 CG ARG A 19 -4.743 8.354 12.053 1.00 0.00 C ATOM 232 CD ARG A 19 -5.184 9.669 11.430 1.00 0.00 C ATOM 233 NE ARG A 19 -4.093 10.638 11.367 1.00 0.00 N ATOM 234 CZ ARG A 19 -4.246 11.891 10.955 1.00 0.00 C ATOM 235 NH1 ARG A 19 -5.438 12.326 10.572 1.00 0.00 N ATOM 236 NH2 ARG A 19 -3.204 12.713 10.926 1.00 0.00 N ATOM 0 H ARG A 19 -7.057 5.196 11.461 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.485 5.645 12.122 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.131 7.171 10.934 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.720 7.671 12.507 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.468 8.518 13.095 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.853 7.988 11.542 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.564 9.485 10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.007 10.087 12.010 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.162 10.336 11.655 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.241 11.698 10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.552 13.289 10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.285 12.382 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.322 13.675 10.609 1.00 0.00 H new ATOM 250 N GLY A 20 -4.035 5.857 14.537 1.00 0.00 N ATOM 251 CA GLY A 20 -3.758 5.941 15.959 1.00 0.00 C ATOM 252 C GLY A 20 -2.343 6.399 16.248 1.00 0.00 C ATOM 253 O GLY A 20 -1.452 6.254 15.410 1.00 0.00 O ATOM 0 H GLY A 20 -3.228 5.632 13.956 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.462 6.632 16.423 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.921 4.965 16.416 1.00 0.00 H new ATOM 257 N TYR A 21 -2.134 6.955 17.436 1.00 0.00 N ATOM 258 CA TYR A 21 -0.817 7.441 17.832 1.00 0.00 C ATOM 259 C TYR A 21 -0.287 8.459 16.828 1.00 0.00 C ATOM 260 O TYR A 21 0.838 8.342 16.343 1.00 0.00 O ATOM 261 CB TYR A 21 0.163 6.273 17.957 1.00 0.00 C ATOM 262 CG TYR A 21 1.250 6.502 18.984 1.00 0.00 C ATOM 263 CD1 TYR A 21 1.872 7.738 19.102 1.00 0.00 C ATOM 264 CD2 TYR A 21 1.652 5.482 19.837 1.00 0.00 C ATOM 265 CE1 TYR A 21 2.866 7.951 20.038 1.00 0.00 C ATOM 266 CE2 TYR A 21 2.644 5.686 20.777 1.00 0.00 C ATOM 267 CZ TYR A 21 3.248 6.923 20.873 1.00 0.00 C ATOM 268 OH TYR A 21 4.236 7.131 21.808 1.00 0.00 O ATOM 0 H TYR A 21 -2.860 7.081 18.142 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.914 7.931 18.801 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.391 5.372 18.221 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.624 6.091 16.986 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.574 8.547 18.451 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.181 4.513 19.764 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.341 8.918 20.115 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.945 4.882 21.433 1.00 0.00 H new ATOM 0 HH TYR A 21 4.385 6.306 22.316 1.00 0.00 H new ATOM 278 N ALA A 22 -1.107 9.459 16.520 1.00 0.00 N ATOM 279 CA ALA A 22 -0.721 10.500 15.576 1.00 0.00 C ATOM 280 C ALA A 22 -0.265 9.898 14.251 1.00 0.00 C ATOM 281 O ALA A 22 0.824 10.199 13.764 1.00 0.00 O ATOM 282 CB ALA A 22 0.377 11.370 16.169 1.00 0.00 C ATOM 0 H ALA A 22 -2.043 9.570 16.911 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.595 11.121 15.381 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.655 12.143 15.453 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.016 11.837 17.085 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.248 10.754 16.394 1.00 0.00 H new ATOM 288 N GLY A 23 -1.105 9.045 13.673 1.00 0.00 N ATOM 289 CA GLY A 23 -0.769 8.414 12.410 1.00 0.00 C ATOM 290 C GLY A 23 -0.589 6.915 12.541 1.00 0.00 C ATOM 291 O GLY A 23 0.005 6.436 13.507 1.00 0.00 O ATOM 0 H GLY A 23 -2.012 8.780 14.057 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.555 8.620 11.684 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.149 8.854 12.020 1.00 0.00 H new ATOM 295 N PHE A 24 -1.104 6.171 11.567 1.00 0.00 N ATOM 296 CA PHE A 24 -1.000 4.716 11.580 1.00 0.00 C ATOM 297 C PHE A 24 0.411 4.276 11.961 1.00 0.00 C ATOM 298 O PHE A 24 0.611 3.179 12.482 1.00 0.00 O ATOM 299 CB PHE A 24 -1.372 4.146 10.210 1.00 0.00 C ATOM 300 CG PHE A 24 -2.805 4.385 9.830 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.810 3.560 10.310 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.148 5.434 8.993 1.00 0.00 C ATOM 303 CE1 PHE A 24 -5.130 3.778 9.963 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.466 5.657 8.643 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.458 4.827 9.127 1.00 0.00 C ATOM 0 H PHE A 24 -1.597 6.551 10.759 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.695 4.332 12.327 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.725 4.589 9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.178 3.073 10.207 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.559 2.737 10.963 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.376 6.085 8.610 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.904 3.129 10.345 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.720 6.480 7.991 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.488 4.998 8.852 1.00 0.00 H new ATOM 315 N GLY A 25 1.386 5.139 11.695 1.00 0.00 N ATOM 316 CA GLY A 25 2.766 4.822 12.016 1.00 0.00 C ATOM 317 C GLY A 25 3.394 3.882 11.006 1.00 0.00 C ATOM 318 O GLY A 25 4.291 3.107 11.342 1.00 0.00 O ATOM 0 H GLY A 25 1.246 6.052 11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.347 5.743 12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.811 4.369 13.006 1.00 0.00 H new ATOM 322 N LEU A 26 2.922 3.947 9.766 1.00 0.00 N ATOM 323 CA LEU A 26 3.442 3.094 8.703 1.00 0.00 C ATOM 324 C LEU A 26 4.244 3.909 7.694 1.00 0.00 C ATOM 325 O LEU A 26 3.804 4.967 7.243 1.00 0.00 O ATOM 326 CB LEU A 26 2.295 2.370 7.996 1.00 0.00 C ATOM 327 CG LEU A 26 2.691 1.190 7.109 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.377 0.111 7.932 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.471 0.625 6.396 1.00 0.00 C ATOM 0 H LEU A 26 2.180 4.582 9.472 1.00 0.00 H new ATOM 0 HA LEU A 26 4.105 2.356 9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.597 2.012 8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.757 3.094 7.384 1.00 0.00 H new ATOM 0 HG LEU A 26 3.394 1.546 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.652 -0.721 7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.274 0.522 8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.697 -0.242 8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.772 -0.214 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.744 0.285 7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.022 1.399 5.774 1.00 0.00 H new ATOM 341 N THR A 27 5.424 3.408 7.340 1.00 0.00 N ATOM 342 CA THR A 27 6.287 4.088 6.383 1.00 0.00 C ATOM 343 C THR A 27 6.610 3.187 5.197 1.00 0.00 C ATOM 344 O THR A 27 6.475 1.966 5.277 1.00 0.00 O ATOM 345 CB THR A 27 7.603 4.545 7.040 1.00 0.00 C ATOM 346 OG1 THR A 27 7.324 5.371 8.176 1.00 0.00 O ATOM 347 CG2 THR A 27 8.465 5.312 6.048 1.00 0.00 C ATOM 0 H THR A 27 5.803 2.533 7.702 1.00 0.00 H new ATOM 0 HA THR A 27 5.741 4.964 6.032 1.00 0.00 H new ATOM 0 HB THR A 27 8.149 3.658 7.362 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.166 5.655 8.588 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.389 5.625 6.534 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.701 4.670 5.199 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.923 6.191 5.699 1.00 0.00 H new ATOM 355 N LEU A 28 7.038 3.797 4.097 1.00 0.00 N ATOM 356 CA LEU A 28 7.381 3.049 2.892 1.00 0.00 C ATOM 357 C LEU A 28 8.812 3.346 2.456 1.00 0.00 C ATOM 358 O LEU A 28 9.144 4.479 2.110 1.00 0.00 O ATOM 359 CB LEU A 28 6.410 3.391 1.761 1.00 0.00 C ATOM 360 CG LEU A 28 5.142 2.539 1.685 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.144 3.153 0.716 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.480 1.114 1.274 1.00 0.00 C ATOM 0 H LEU A 28 7.156 4.807 4.014 1.00 0.00 H new ATOM 0 HA LEU A 28 7.303 1.986 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.116 4.436 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.941 3.302 0.813 1.00 0.00 H new ATOM 0 HG LEU A 28 4.686 2.511 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.248 2.533 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.877 4.154 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.590 3.212 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.566 0.523 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.960 1.122 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.157 0.675 2.007 1.00 0.00 H new ATOM 374 N GLY A 29 9.657 2.320 2.474 1.00 0.00 N ATOM 375 CA GLY A 29 11.042 2.491 2.076 1.00 0.00 C ATOM 376 C GLY A 29 11.250 2.273 0.590 1.00 0.00 C ATOM 377 O GLY A 29 10.939 1.206 0.063 1.00 0.00 O ATOM 0 H GLY A 29 9.407 1.373 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.372 3.495 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.666 1.792 2.633 1.00 0.00 H new ATOM 381 N GLY A 30 11.777 3.289 -0.088 1.00 0.00 N ATOM 382 CA GLY A 30 12.015 3.184 -1.515 1.00 0.00 C ATOM 383 C GLY A 30 10.971 3.918 -2.333 1.00 0.00 C ATOM 384 O GLY A 30 10.545 5.013 -1.968 1.00 0.00 O ATOM 0 H GLY A 30 12.043 4.182 0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.002 3.586 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.024 2.133 -1.802 1.00 0.00 H new ATOM 388 N GLY A 31 10.559 3.315 -3.444 1.00 0.00 N ATOM 389 CA GLY A 31 9.563 3.934 -4.299 1.00 0.00 C ATOM 390 C GLY A 31 10.180 4.632 -5.495 1.00 0.00 C ATOM 391 O GLY A 31 11.392 4.574 -5.699 1.00 0.00 O ATOM 0 H GLY A 31 10.897 2.409 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.864 3.174 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.987 4.655 -3.718 1.00 0.00 H new ATOM 395 N ARG A 32 9.343 5.292 -6.289 1.00 0.00 N ATOM 396 CA ARG A 32 9.813 6.001 -7.473 1.00 0.00 C ATOM 397 C ARG A 32 10.644 7.220 -7.083 1.00 0.00 C ATOM 398 O ARG A 32 10.108 8.224 -6.614 1.00 0.00 O ATOM 399 CB ARG A 32 8.627 6.434 -8.338 1.00 0.00 C ATOM 400 CG ARG A 32 8.991 6.672 -9.794 1.00 0.00 C ATOM 401 CD ARG A 32 9.539 8.074 -10.010 1.00 0.00 C ATOM 402 NE ARG A 32 10.226 8.202 -11.292 1.00 0.00 N ATOM 403 CZ ARG A 32 11.137 9.135 -11.548 1.00 0.00 C ATOM 404 NH1 ARG A 32 11.469 10.016 -10.614 1.00 0.00 N ATOM 405 NH2 ARG A 32 11.719 9.187 -12.739 1.00 0.00 N ATOM 0 H ARG A 32 8.337 5.350 -6.134 1.00 0.00 H new ATOM 0 HA ARG A 32 10.444 5.322 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.852 5.669 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.201 7.348 -7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.732 5.938 -10.109 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.110 6.524 -10.419 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.722 8.794 -9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.228 8.322 -9.203 1.00 0.00 H new ATOM 0 HE ARG A 32 9.994 7.539 -12.032 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.025 9.978 -9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.169 10.731 -10.813 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.467 8.510 -13.460 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.418 9.904 -12.934 1.00 0.00 H new ATOM 419 N ASP A 33 11.954 7.124 -7.280 1.00 0.00 N ATOM 420 CA ASP A 33 12.859 8.218 -6.950 1.00 0.00 C ATOM 421 C ASP A 33 13.667 8.643 -8.172 1.00 0.00 C ATOM 422 O ASP A 33 13.954 7.831 -9.052 1.00 0.00 O ATOM 423 CB ASP A 33 13.801 7.805 -5.818 1.00 0.00 C ATOM 424 CG ASP A 33 13.154 6.834 -4.850 1.00 0.00 C ATOM 425 OD1 ASP A 33 12.193 7.236 -4.161 1.00 0.00 O ATOM 426 OD2 ASP A 33 13.608 5.673 -4.782 1.00 0.00 O ATOM 0 H ASP A 33 12.413 6.299 -7.667 1.00 0.00 H new ATOM 0 HA ASP A 33 12.259 9.066 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.695 7.349 -6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.123 8.694 -5.275 1.00 0.00 H new ATOM 431 N VAL A 34 14.031 9.920 -8.220 1.00 0.00 N ATOM 432 CA VAL A 34 14.806 10.453 -9.334 1.00 0.00 C ATOM 433 C VAL A 34 16.137 9.724 -9.476 1.00 0.00 C ATOM 434 O VAL A 34 16.657 9.568 -10.580 1.00 0.00 O ATOM 435 CB VAL A 34 15.075 11.960 -9.161 1.00 0.00 C ATOM 436 CG1 VAL A 34 15.933 12.212 -7.930 1.00 0.00 C ATOM 437 CG2 VAL A 34 15.735 12.530 -10.407 1.00 0.00 C ATOM 0 H VAL A 34 13.802 10.605 -7.500 1.00 0.00 H new ATOM 0 HA VAL A 34 14.212 10.298 -10.235 1.00 0.00 H new ATOM 0 HB VAL A 34 14.121 12.467 -9.019 1.00 0.00 H new ATOM 0 HG11 VAL A 34 16.112 13.282 -7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 34 15.417 11.841 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.886 11.693 -8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.918 13.595 -10.267 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.682 12.020 -10.583 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.079 12.384 -11.265 1.00 0.00 H new ATOM 447 N ALA A 35 16.685 9.279 -8.349 1.00 0.00 N ATOM 448 CA ALA A 35 17.955 8.563 -8.348 1.00 0.00 C ATOM 449 C ALA A 35 17.736 7.057 -8.437 1.00 0.00 C ATOM 450 O ALA A 35 18.570 6.271 -7.990 1.00 0.00 O ATOM 451 CB ALA A 35 18.754 8.910 -7.101 1.00 0.00 C ATOM 0 H ALA A 35 16.269 9.402 -7.426 1.00 0.00 H new ATOM 0 HA ALA A 35 18.520 8.873 -9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.700 8.369 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.950 9.982 -7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.186 8.628 -6.215 1.00 0.00 H new ATOM 457 N GLY A 36 16.607 6.660 -9.018 1.00 0.00 N ATOM 458 CA GLY A 36 16.299 5.249 -9.154 1.00 0.00 C ATOM 459 C GLY A 36 14.853 4.937 -8.825 1.00 0.00 C ATOM 460 O GLY A 36 14.237 5.614 -8.002 1.00 0.00 O ATOM 0 H GLY A 36 15.901 7.291 -9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.513 4.930 -10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.950 4.673 -8.497 1.00 0.00 H new ATOM 464 N ASP A 37 14.310 3.910 -9.469 1.00 0.00 N ATOM 465 CA ASP A 37 12.926 3.509 -9.241 1.00 0.00 C ATOM 466 C ASP A 37 12.860 2.142 -8.567 1.00 0.00 C ATOM 467 O ASP A 37 13.249 1.130 -9.150 1.00 0.00 O ATOM 468 CB ASP A 37 12.157 3.478 -10.562 1.00 0.00 C ATOM 469 CG ASP A 37 12.474 2.246 -11.387 1.00 0.00 C ATOM 470 OD1 ASP A 37 13.651 2.076 -11.771 1.00 0.00 O ATOM 471 OD2 ASP A 37 11.547 1.453 -11.649 1.00 0.00 O ATOM 0 H ASP A 37 14.807 3.340 -10.153 1.00 0.00 H new ATOM 0 HA ASP A 37 12.466 4.243 -8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.087 3.509 -10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.397 4.370 -11.140 1.00 0.00 H new ATOM 476 N THR A 38 12.366 2.120 -7.333 1.00 0.00 N ATOM 477 CA THR A 38 12.251 0.878 -6.578 1.00 0.00 C ATOM 478 C THR A 38 10.808 0.623 -6.156 1.00 0.00 C ATOM 479 O THR A 38 10.019 1.548 -5.963 1.00 0.00 O ATOM 480 CB THR A 38 13.145 0.898 -5.324 1.00 0.00 C ATOM 481 OG1 THR A 38 12.546 1.711 -4.308 1.00 0.00 O ATOM 482 CG2 THR A 38 14.531 1.431 -5.656 1.00 0.00 C ATOM 0 H THR A 38 12.039 2.948 -6.835 1.00 0.00 H new ATOM 0 HA THR A 38 12.581 0.075 -7.237 1.00 0.00 H new ATOM 0 HB THR A 38 13.244 -0.124 -4.959 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.230 1.981 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.144 1.436 -4.755 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.996 0.793 -6.408 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.447 2.446 -6.043 1.00 0.00 H new ATOM 490 N PRO A 39 10.453 -0.662 -6.007 1.00 0.00 N ATOM 491 CA PRO A 39 9.103 -1.069 -5.605 1.00 0.00 C ATOM 492 C PRO A 39 8.800 -0.715 -4.153 1.00 0.00 C ATOM 493 O PRO A 39 9.417 -1.251 -3.231 1.00 0.00 O ATOM 494 CB PRO A 39 9.120 -2.588 -5.793 1.00 0.00 C ATOM 495 CG PRO A 39 10.554 -2.970 -5.664 1.00 0.00 C ATOM 496 CD PRO A 39 11.342 -1.817 -6.221 1.00 0.00 C ATOM 0 HA PRO A 39 8.334 -0.562 -6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.508 -3.087 -5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.721 -2.871 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.816 -3.155 -4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.764 -3.888 -6.213 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.293 -1.693 -5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.570 -1.959 -7.277 1.00 0.00 H new ATOM 504 N LEU A 40 7.847 0.189 -3.956 1.00 0.00 N ATOM 505 CA LEU A 40 7.461 0.614 -2.615 1.00 0.00 C ATOM 506 C LEU A 40 7.223 -0.591 -1.709 1.00 0.00 C ATOM 507 O LEU A 40 6.574 -1.559 -2.106 1.00 0.00 O ATOM 508 CB LEU A 40 6.201 1.478 -2.675 1.00 0.00 C ATOM 509 CG LEU A 40 6.424 2.978 -2.873 1.00 0.00 C ATOM 510 CD1 LEU A 40 5.130 3.660 -3.286 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.979 3.606 -1.603 1.00 0.00 C ATOM 0 H LEU A 40 7.327 0.642 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 40 8.278 1.203 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.573 1.114 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.641 1.333 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 40 7.153 3.116 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.308 4.727 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.774 3.229 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.378 3.514 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.132 4.674 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.273 3.458 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.930 3.137 -1.351 1.00 0.00 H new ATOM 523 N ALA A 41 7.749 -0.522 -0.491 1.00 0.00 N ATOM 524 CA ALA A 41 7.590 -1.605 0.472 1.00 0.00 C ATOM 525 C ALA A 41 7.764 -1.099 1.900 1.00 0.00 C ATOM 526 O ALA A 41 8.615 -0.251 2.170 1.00 0.00 O ATOM 527 CB ALA A 41 8.582 -2.721 0.180 1.00 0.00 C ATOM 0 H ALA A 41 8.289 0.272 -0.147 1.00 0.00 H new ATOM 0 HA ALA A 41 6.578 -1.999 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.452 -3.523 0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.408 -3.109 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.598 -2.332 0.247 1.00 0.00 H new ATOM 533 N VAL A 42 6.952 -1.625 2.812 1.00 0.00 N ATOM 534 CA VAL A 42 7.017 -1.227 4.213 1.00 0.00 C ATOM 535 C VAL A 42 8.461 -1.040 4.666 1.00 0.00 C ATOM 536 O VAL A 42 9.307 -1.909 4.450 1.00 0.00 O ATOM 537 CB VAL A 42 6.336 -2.265 5.124 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.535 -1.905 6.588 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.856 -2.376 4.790 1.00 0.00 C ATOM 0 H VAL A 42 6.242 -2.327 2.605 1.00 0.00 H new ATOM 0 HA VAL A 42 6.487 -0.278 4.296 1.00 0.00 H new ATOM 0 HB VAL A 42 6.799 -3.236 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.047 -2.650 7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.601 -1.881 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.101 -0.925 6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.390 -3.114 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.377 -1.408 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.740 -2.686 3.751 1.00 0.00 H new ATOM 549 N ARG A 43 8.736 0.097 5.294 1.00 0.00 N ATOM 550 CA ARG A 43 10.079 0.398 5.777 1.00 0.00 C ATOM 551 C ARG A 43 10.177 0.180 7.284 1.00 0.00 C ATOM 552 O ARG A 43 10.823 -0.760 7.744 1.00 0.00 O ATOM 553 CB ARG A 43 10.455 1.841 5.435 1.00 0.00 C ATOM 554 CG ARG A 43 11.602 2.386 6.270 1.00 0.00 C ATOM 555 CD ARG A 43 12.771 1.414 6.313 1.00 0.00 C ATOM 556 NE ARG A 43 13.575 1.471 5.094 1.00 0.00 N ATOM 557 CZ ARG A 43 14.742 0.852 4.954 1.00 0.00 C ATOM 558 NH1 ARG A 43 15.239 0.134 5.952 1.00 0.00 N ATOM 559 NH2 ARG A 43 15.414 0.951 3.815 1.00 0.00 N ATOM 0 H ARG A 43 8.047 0.826 5.481 1.00 0.00 H new ATOM 0 HA ARG A 43 10.776 -0.279 5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.726 1.897 4.381 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.581 2.478 5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.934 3.338 5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.254 2.583 7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.400 1.642 7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.395 0.400 6.452 1.00 0.00 H new ATOM 0 HE ARG A 43 13.221 2.016 4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.725 0.056 6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.135 -0.340 5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.035 1.503 3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.310 0.475 3.708 1.00 0.00 H new ATOM 573 N GLY A 44 9.530 1.056 8.047 1.00 0.00 N ATOM 574 CA GLY A 44 9.557 0.942 9.494 1.00 0.00 C ATOM 575 C GLY A 44 8.175 0.752 10.086 1.00 0.00 C ATOM 576 O GLY A 44 7.173 1.129 9.478 1.00 0.00 O ATOM 0 H GLY A 44 8.988 1.842 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.189 0.100 9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.010 1.838 9.918 1.00 0.00 H new ATOM 580 N LEU A 45 8.119 0.164 11.276 1.00 0.00 N ATOM 581 CA LEU A 45 6.849 -0.077 11.952 1.00 0.00 C ATOM 582 C LEU A 45 6.804 0.637 13.299 1.00 0.00 C ATOM 583 O LEU A 45 7.407 0.185 14.273 1.00 0.00 O ATOM 584 CB LEU A 45 6.631 -1.578 12.150 1.00 0.00 C ATOM 585 CG LEU A 45 6.089 -2.343 10.942 1.00 0.00 C ATOM 586 CD1 LEU A 45 6.110 -3.841 11.206 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.680 -1.879 10.605 1.00 0.00 C ATOM 0 H LEU A 45 8.939 -0.155 11.793 1.00 0.00 H new ATOM 0 HA LEU A 45 6.051 0.320 11.325 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.580 -2.027 12.443 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.942 -1.718 12.983 1.00 0.00 H new ATOM 0 HG LEU A 45 6.732 -2.136 10.087 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.721 -4.369 10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.134 -4.162 11.398 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.490 -4.066 12.074 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.311 -2.434 9.743 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.025 -2.055 11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.694 -0.814 10.372 1.00 0.00 H new ATOM 599 N LEU A 46 6.085 1.753 13.347 1.00 0.00 N ATOM 600 CA LEU A 46 5.959 2.530 14.575 1.00 0.00 C ATOM 601 C LEU A 46 5.783 1.614 15.782 1.00 0.00 C ATOM 602 O LEU A 46 4.840 0.824 15.844 1.00 0.00 O ATOM 603 CB LEU A 46 4.775 3.493 14.474 1.00 0.00 C ATOM 604 CG LEU A 46 4.888 4.783 15.287 1.00 0.00 C ATOM 605 CD1 LEU A 46 5.911 5.719 14.663 1.00 0.00 C ATOM 606 CD2 LEU A 46 3.532 5.466 15.394 1.00 0.00 C ATOM 0 H LEU A 46 5.580 2.140 12.550 1.00 0.00 H new ATOM 0 HA LEU A 46 6.876 3.105 14.708 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.637 3.759 13.426 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.875 2.965 14.790 1.00 0.00 H new ATOM 0 HG LEU A 46 5.225 4.529 16.292 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.978 6.632 15.255 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.885 5.230 14.639 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.605 5.967 13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.631 6.382 15.976 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.167 5.708 14.396 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.826 4.798 15.887 1.00 0.00 H new ATOM 618 N LYS A 47 6.695 1.727 16.742 1.00 0.00 N ATOM 619 CA LYS A 47 6.639 0.912 17.950 1.00 0.00 C ATOM 620 C LYS A 47 5.255 0.978 18.588 1.00 0.00 C ATOM 621 O LYS A 47 4.596 2.017 18.557 1.00 0.00 O ATOM 622 CB LYS A 47 7.697 1.379 18.953 1.00 0.00 C ATOM 623 CG LYS A 47 8.029 0.343 20.013 1.00 0.00 C ATOM 624 CD LYS A 47 7.099 0.452 21.210 1.00 0.00 C ATOM 625 CE LYS A 47 6.948 -0.883 21.923 1.00 0.00 C ATOM 626 NZ LYS A 47 6.553 -0.709 23.348 1.00 0.00 N ATOM 0 H LYS A 47 7.482 2.375 16.707 1.00 0.00 H new ATOM 0 HA LYS A 47 6.842 -0.122 17.671 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.608 1.639 18.413 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.346 2.288 19.442 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.954 -0.656 19.583 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.061 0.473 20.340 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.486 1.196 21.906 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.121 0.803 20.881 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.199 -1.486 21.410 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.889 -1.431 21.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.168 -1.604 23.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.386 -0.436 23.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.829 0.034 23.419 1.00 0.00 H new ATOM 640 N ASP A 48 4.821 -0.137 19.165 1.00 0.00 N ATOM 641 CA ASP A 48 3.516 -0.205 19.812 1.00 0.00 C ATOM 642 C ASP A 48 2.475 0.577 19.018 1.00 0.00 C ATOM 643 O ASP A 48 1.691 1.337 19.584 1.00 0.00 O ATOM 644 CB ASP A 48 3.602 0.338 21.239 1.00 0.00 C ATOM 645 CG ASP A 48 3.630 1.853 21.281 1.00 0.00 C ATOM 646 OD1 ASP A 48 4.685 2.436 20.957 1.00 0.00 O ATOM 647 OD2 ASP A 48 2.596 2.456 21.639 1.00 0.00 O ATOM 0 H ASP A 48 5.354 -1.006 19.198 1.00 0.00 H new ATOM 0 HA ASP A 48 3.209 -1.250 19.848 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.749 -0.023 21.814 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.499 -0.053 21.720 1.00 0.00 H new ATOM 652 N GLY A 49 2.474 0.385 17.703 1.00 0.00 N ATOM 653 CA GLY A 49 1.525 1.080 16.852 1.00 0.00 C ATOM 654 C GLY A 49 0.418 0.172 16.355 1.00 0.00 C ATOM 655 O GLY A 49 0.392 -1.025 16.643 1.00 0.00 O ATOM 0 H GLY A 49 3.113 -0.239 17.211 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.088 1.912 17.404 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.052 1.506 15.998 1.00 0.00 H new ATOM 659 N PRO A 50 -0.523 0.744 15.590 1.00 0.00 N ATOM 660 CA PRO A 50 -1.656 -0.004 15.036 1.00 0.00 C ATOM 661 C PRO A 50 -1.228 -0.982 13.948 1.00 0.00 C ATOM 662 O PRO A 50 -1.697 -2.119 13.902 1.00 0.00 O ATOM 663 CB PRO A 50 -2.551 1.091 14.450 1.00 0.00 C ATOM 664 CG PRO A 50 -1.625 2.219 14.152 1.00 0.00 C ATOM 665 CD PRO A 50 -0.555 2.166 15.207 1.00 0.00 C ATOM 0 HA PRO A 50 -2.148 -0.617 15.791 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.059 0.747 13.549 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.325 1.390 15.157 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.196 2.118 13.155 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.151 3.173 14.178 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.408 2.500 14.820 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.796 2.805 16.056 1.00 0.00 H new ATOM 673 N ALA A 51 -0.334 -0.533 13.073 1.00 0.00 N ATOM 674 CA ALA A 51 0.159 -1.370 11.987 1.00 0.00 C ATOM 675 C ALA A 51 1.069 -2.474 12.514 1.00 0.00 C ATOM 676 O ALA A 51 1.107 -3.574 11.963 1.00 0.00 O ATOM 677 CB ALA A 51 0.895 -0.522 10.960 1.00 0.00 C ATOM 0 H ALA A 51 0.063 0.406 13.095 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.698 -1.841 11.506 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.258 -1.160 10.154 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.216 0.227 10.552 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.739 -0.024 11.437 1.00 0.00 H new ATOM 683 N GLN A 52 1.800 -2.173 13.582 1.00 0.00 N ATOM 684 CA GLN A 52 2.711 -3.141 14.182 1.00 0.00 C ATOM 685 C GLN A 52 1.959 -4.102 15.096 1.00 0.00 C ATOM 686 O GLN A 52 2.234 -5.302 15.112 1.00 0.00 O ATOM 687 CB GLN A 52 3.808 -2.421 14.969 1.00 0.00 C ATOM 688 CG GLN A 52 4.707 -3.360 15.757 1.00 0.00 C ATOM 689 CD GLN A 52 5.509 -4.286 14.864 1.00 0.00 C ATOM 690 OE1 GLN A 52 6.640 -3.979 14.488 1.00 0.00 O ATOM 691 NE2 GLN A 52 4.925 -5.428 14.519 1.00 0.00 N ATOM 0 H GLN A 52 1.779 -1.267 14.050 1.00 0.00 H new ATOM 0 HA GLN A 52 3.170 -3.717 13.379 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.419 -1.841 14.277 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.345 -1.712 15.656 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.389 -2.773 16.372 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.097 -3.955 16.437 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.986 -5.642 14.854 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.416 -6.091 13.919 1.00 0.00 H new ATOM 700 N ARG A 53 1.010 -3.566 15.857 1.00 0.00 N ATOM 701 CA ARG A 53 0.219 -4.376 16.776 1.00 0.00 C ATOM 702 C ARG A 53 -0.612 -5.406 16.015 1.00 0.00 C ATOM 703 O ARG A 53 -0.613 -6.590 16.354 1.00 0.00 O ATOM 704 CB ARG A 53 -0.698 -3.485 17.615 1.00 0.00 C ATOM 705 CG ARG A 53 -0.001 -2.844 18.805 1.00 0.00 C ATOM 706 CD ARG A 53 -0.827 -1.707 19.388 1.00 0.00 C ATOM 707 NE ARG A 53 -0.451 -1.410 20.767 1.00 0.00 N ATOM 708 CZ ARG A 53 -1.187 -0.666 21.585 1.00 0.00 C ATOM 709 NH1 ARG A 53 -2.333 -0.149 21.165 1.00 0.00 N ATOM 710 NH2 ARG A 53 -0.778 -0.440 22.827 1.00 0.00 N ATOM 0 H ARG A 53 0.770 -2.575 15.855 1.00 0.00 H new ATOM 0 HA ARG A 53 0.905 -4.905 17.438 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.109 -2.701 16.980 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.539 -4.079 17.974 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.177 -3.597 19.573 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.974 -2.466 18.497 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.698 -0.814 18.776 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.884 -1.970 19.349 1.00 0.00 H new ATOM 0 HE ARG A 53 0.425 -1.795 21.122 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.652 -0.322 20.212 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.896 0.422 21.795 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.102 -0.838 23.154 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.344 0.131 23.454 1.00 0.00 H new ATOM 724 N CYS A 54 -1.317 -4.947 14.988 1.00 0.00 N ATOM 725 CA CYS A 54 -2.154 -5.828 14.180 1.00 0.00 C ATOM 726 C CYS A 54 -1.345 -7.006 13.646 1.00 0.00 C ATOM 727 O CYS A 54 -1.869 -8.107 13.482 1.00 0.00 O ATOM 728 CB CYS A 54 -2.775 -5.051 13.018 1.00 0.00 C ATOM 729 SG CYS A 54 -1.582 -4.508 11.772 1.00 0.00 S ATOM 0 H CYS A 54 -1.326 -3.970 14.694 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.951 -6.216 14.815 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.527 -5.677 12.537 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.293 -4.178 13.414 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.393 -4.474 12.296 1.00 0.00 H new ATOM 735 N GLY A 55 -0.066 -6.765 13.376 1.00 0.00 N ATOM 736 CA GLY A 55 0.793 -7.816 12.862 1.00 0.00 C ATOM 737 C GLY A 55 0.281 -8.398 11.559 1.00 0.00 C ATOM 738 O GLY A 55 0.361 -9.606 11.338 1.00 0.00 O ATOM 0 H GLY A 55 0.390 -5.862 13.504 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.796 -7.419 12.709 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.874 -8.610 13.604 1.00 0.00 H new ATOM 742 N ARG A 56 -0.247 -7.537 10.695 1.00 0.00 N ATOM 743 CA ARG A 56 -0.777 -7.974 9.409 1.00 0.00 C ATOM 744 C ARG A 56 0.242 -7.746 8.296 1.00 0.00 C ATOM 745 O ARG A 56 0.275 -8.484 7.310 1.00 0.00 O ATOM 746 CB ARG A 56 -2.074 -7.229 9.089 1.00 0.00 C ATOM 747 CG ARG A 56 -3.201 -7.520 10.066 1.00 0.00 C ATOM 748 CD ARG A 56 -4.519 -6.931 9.587 1.00 0.00 C ATOM 749 NE ARG A 56 -5.554 -6.999 10.616 1.00 0.00 N ATOM 750 CZ ARG A 56 -6.789 -6.540 10.446 1.00 0.00 C ATOM 751 NH1 ARG A 56 -7.141 -5.984 9.296 1.00 0.00 N ATOM 752 NH2 ARG A 56 -7.675 -6.637 11.429 1.00 0.00 N ATOM 0 H ARG A 56 -0.319 -6.533 10.862 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.986 -9.042 9.473 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.876 -6.157 9.085 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.398 -7.497 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.307 -8.598 10.191 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.951 -7.109 11.044 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.367 -5.892 9.294 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.854 -7.467 8.699 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.315 -7.422 11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.463 -5.907 8.538 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.090 -5.633 9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.408 -7.064 12.316 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.623 -6.284 11.298 1.00 0.00 H new ATOM 766 N LEU A 57 1.070 -6.720 8.460 1.00 0.00 N ATOM 767 CA LEU A 57 2.089 -6.395 7.468 1.00 0.00 C ATOM 768 C LEU A 57 3.482 -6.425 8.090 1.00 0.00 C ATOM 769 O LEU A 57 3.641 -6.197 9.289 1.00 0.00 O ATOM 770 CB LEU A 57 1.818 -5.016 6.863 1.00 0.00 C ATOM 771 CG LEU A 57 0.457 -4.835 6.190 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.356 -3.457 5.554 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.227 -5.923 5.150 1.00 0.00 C ATOM 0 H LEU A 57 1.056 -6.100 9.269 1.00 0.00 H new ATOM 0 HA LEU A 57 2.047 -7.146 6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.913 -4.270 7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.595 -4.804 6.129 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.318 -4.919 6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.619 -3.346 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.476 -2.692 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.139 -3.344 4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.746 -5.778 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.007 -5.871 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.256 -6.900 5.633 1.00 0.00 H new ATOM 785 N GLU A 58 4.486 -6.705 7.266 1.00 0.00 N ATOM 786 CA GLU A 58 5.866 -6.763 7.735 1.00 0.00 C ATOM 787 C GLU A 58 6.810 -6.109 6.730 1.00 0.00 C ATOM 788 O GLU A 58 6.593 -6.180 5.521 1.00 0.00 O ATOM 789 CB GLU A 58 6.285 -8.214 7.977 1.00 0.00 C ATOM 790 CG GLU A 58 5.422 -8.935 8.999 1.00 0.00 C ATOM 791 CD GLU A 58 4.132 -9.465 8.403 1.00 0.00 C ATOM 792 OE1 GLU A 58 4.190 -10.463 7.655 1.00 0.00 O ATOM 793 OE2 GLU A 58 3.065 -8.882 8.686 1.00 0.00 O ATOM 0 H GLU A 58 4.370 -6.895 6.271 1.00 0.00 H new ATOM 0 HA GLU A 58 5.927 -6.214 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.245 -8.757 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.322 -8.233 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.987 -9.763 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.187 -8.253 9.816 1.00 0.00 H new ATOM 800 N VAL A 59 7.860 -5.473 7.241 1.00 0.00 N ATOM 801 CA VAL A 59 8.839 -4.808 6.390 1.00 0.00 C ATOM 802 C VAL A 59 9.196 -5.671 5.185 1.00 0.00 C ATOM 803 O VAL A 59 9.646 -6.806 5.333 1.00 0.00 O ATOM 804 CB VAL A 59 10.125 -4.474 7.168 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.161 -3.849 6.246 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.816 -3.553 8.338 1.00 0.00 C ATOM 0 H VAL A 59 8.054 -5.405 8.240 1.00 0.00 H new ATOM 0 HA VAL A 59 8.381 -3.881 6.046 1.00 0.00 H new ATOM 0 HB VAL A 59 10.539 -5.401 7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.063 -3.620 6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.404 -4.548 5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.760 -2.931 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.736 -3.328 8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.377 -2.627 7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.113 -4.043 9.011 1.00 0.00 H new ATOM 816 N GLY A 60 8.994 -5.123 3.990 1.00 0.00 N ATOM 817 CA GLY A 60 9.301 -5.856 2.776 1.00 0.00 C ATOM 818 C GLY A 60 8.079 -6.075 1.906 1.00 0.00 C ATOM 819 O GLY A 60 8.198 -6.312 0.704 1.00 0.00 O ATOM 0 H GLY A 60 8.623 -4.184 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.055 -5.312 2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.734 -6.821 3.038 1.00 0.00 H new ATOM 823 N ASP A 61 6.900 -5.996 2.515 1.00 0.00 N ATOM 824 CA ASP A 61 5.651 -6.188 1.788 1.00 0.00 C ATOM 825 C ASP A 61 5.620 -5.334 0.524 1.00 0.00 C ATOM 826 O ASP A 61 6.004 -4.164 0.543 1.00 0.00 O ATOM 827 CB ASP A 61 4.458 -5.842 2.681 1.00 0.00 C ATOM 828 CG ASP A 61 3.995 -7.022 3.512 1.00 0.00 C ATOM 829 OD1 ASP A 61 4.141 -8.171 3.044 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.489 -6.797 4.631 1.00 0.00 O ATOM 0 H ASP A 61 6.784 -5.800 3.509 1.00 0.00 H new ATOM 0 HA ASP A 61 5.586 -7.237 1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.730 -5.020 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.633 -5.492 2.061 1.00 0.00 H new ATOM 835 N LEU A 62 5.164 -5.927 -0.574 1.00 0.00 N ATOM 836 CA LEU A 62 5.085 -5.221 -1.848 1.00 0.00 C ATOM 837 C LEU A 62 3.738 -4.521 -1.999 1.00 0.00 C ATOM 838 O LEU A 62 2.685 -5.151 -1.905 1.00 0.00 O ATOM 839 CB LEU A 62 5.299 -6.196 -3.007 1.00 0.00 C ATOM 840 CG LEU A 62 6.544 -7.078 -2.921 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.585 -8.060 -4.082 1.00 0.00 C ATOM 842 CD2 LEU A 62 7.803 -6.223 -2.899 1.00 0.00 C ATOM 0 H LEU A 62 4.843 -6.895 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 62 5.871 -4.466 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.424 -6.843 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.347 -5.623 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 62 6.499 -7.647 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.479 -8.679 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.700 -8.695 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.606 -7.510 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.680 -6.868 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.854 -5.627 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.778 -5.561 -2.033 1.00 0.00 H new ATOM 854 N VAL A 63 3.780 -3.214 -2.237 1.00 0.00 N ATOM 855 CA VAL A 63 2.564 -2.428 -2.406 1.00 0.00 C ATOM 856 C VAL A 63 2.162 -2.344 -3.874 1.00 0.00 C ATOM 857 O VAL A 63 2.921 -1.849 -4.709 1.00 0.00 O ATOM 858 CB VAL A 63 2.736 -1.001 -1.850 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.402 -0.271 -1.832 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.349 -1.043 -0.459 1.00 0.00 C ATOM 0 H VAL A 63 4.644 -2.677 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 63 1.779 -2.937 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 63 3.414 -0.453 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.543 0.735 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.007 -0.210 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.699 -0.814 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.464 -0.027 -0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.698 -1.607 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.326 -1.525 -0.506 1.00 0.00 H new ATOM 870 N LEU A 64 0.965 -2.830 -4.183 1.00 0.00 N ATOM 871 CA LEU A 64 0.461 -2.810 -5.552 1.00 0.00 C ATOM 872 C LEU A 64 -0.464 -1.618 -5.774 1.00 0.00 C ATOM 873 O LEU A 64 -0.378 -0.933 -6.794 1.00 0.00 O ATOM 874 CB LEU A 64 -0.281 -4.111 -5.862 1.00 0.00 C ATOM 875 CG LEU A 64 0.516 -5.402 -5.668 1.00 0.00 C ATOM 876 CD1 LEU A 64 1.788 -5.373 -6.501 1.00 0.00 C ATOM 877 CD2 LEU A 64 0.844 -5.610 -4.197 1.00 0.00 C ATOM 0 H LEU A 64 0.325 -3.243 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 64 1.313 -2.716 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.169 -4.158 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.625 -4.072 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.096 -6.239 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.343 -6.299 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.530 -5.271 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.404 -4.528 -6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.411 -6.533 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.437 -4.770 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.081 -5.676 -3.624 1.00 0.00 H new ATOM 889 N HIS A 65 -1.348 -1.374 -4.812 1.00 0.00 N ATOM 890 CA HIS A 65 -2.288 -0.262 -4.901 1.00 0.00 C ATOM 891 C HIS A 65 -2.503 0.379 -3.533 1.00 0.00 C ATOM 892 O HIS A 65 -1.931 -0.060 -2.535 1.00 0.00 O ATOM 893 CB HIS A 65 -3.624 -0.741 -5.468 1.00 0.00 C ATOM 894 CG HIS A 65 -3.500 -1.436 -6.789 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.667 -0.995 -7.796 1.00 0.00 N ATOM 896 CD2 HIS A 65 -4.108 -2.547 -7.266 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.769 -1.804 -8.835 1.00 0.00 C ATOM 898 NE2 HIS A 65 -3.637 -2.755 -8.539 1.00 0.00 N ATOM 0 H HIS A 65 -1.433 -1.931 -3.962 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.865 0.487 -5.571 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.091 -1.418 -4.753 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.290 0.115 -5.578 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.066 -0.172 -7.746 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.830 -3.157 -6.743 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.234 -1.705 -9.768 1.00 0.00 H new ATOM 907 N ILE A 66 -3.329 1.418 -3.496 1.00 0.00 N ATOM 908 CA ILE A 66 -3.619 2.119 -2.251 1.00 0.00 C ATOM 909 C ILE A 66 -4.946 2.865 -2.336 1.00 0.00 C ATOM 910 O ILE A 66 -5.143 3.703 -3.214 1.00 0.00 O ATOM 911 CB ILE A 66 -2.503 3.118 -1.894 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.172 2.387 -1.713 1.00 0.00 C ATOM 913 CG2 ILE A 66 -2.865 3.889 -0.633 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.025 3.301 -1.342 1.00 0.00 C ATOM 0 H ILE A 66 -3.810 1.794 -4.314 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.680 1.361 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.397 3.829 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.286 1.628 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.925 1.865 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.066 4.591 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.793 4.437 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.995 3.192 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.887 2.714 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.116 4.044 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.250 3.804 -0.402 1.00 0.00 H new ATOM 926 N ASN A 67 -5.853 2.555 -1.415 1.00 0.00 N ATOM 927 CA ASN A 67 -7.162 3.197 -1.385 1.00 0.00 C ATOM 928 C ASN A 67 -7.864 3.066 -2.733 1.00 0.00 C ATOM 929 O ASN A 67 -8.624 3.945 -3.137 1.00 0.00 O ATOM 930 CB ASN A 67 -7.020 4.674 -1.012 1.00 0.00 C ATOM 931 CG ASN A 67 -7.049 4.898 0.487 1.00 0.00 C ATOM 932 OD1 ASN A 67 -5.973 5.465 1.021 1.00 0.00 O flip ATOM 933 ND2 ASN A 67 -8.027 4.565 1.157 1.00 0.00 N flip ATOM 0 H ASN A 67 -5.705 1.863 -0.680 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.768 2.695 -0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.084 5.059 -1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.826 5.242 -1.477 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.832 4.132 0.704 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.032 4.722 2.165 1.00 0.00 H new ATOM 940 N GLY A 68 -7.603 1.961 -3.425 1.00 0.00 N ATOM 941 CA GLY A 68 -8.217 1.734 -4.720 1.00 0.00 C ATOM 942 C GLY A 68 -7.613 2.600 -5.808 1.00 0.00 C ATOM 943 O GLY A 68 -8.311 3.029 -6.726 1.00 0.00 O ATOM 0 H GLY A 68 -6.977 1.219 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.106 0.684 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.286 1.935 -4.652 1.00 0.00 H new ATOM 947 N GLU A 69 -6.314 2.859 -5.703 1.00 0.00 N ATOM 948 CA GLU A 69 -5.618 3.683 -6.684 1.00 0.00 C ATOM 949 C GLU A 69 -4.559 2.870 -7.424 1.00 0.00 C ATOM 950 O GLU A 69 -4.347 1.694 -7.130 1.00 0.00 O ATOM 951 CB GLU A 69 -4.967 4.888 -6.003 1.00 0.00 C ATOM 952 CG GLU A 69 -3.547 4.627 -5.530 1.00 0.00 C ATOM 953 CD GLU A 69 -2.870 5.875 -4.999 1.00 0.00 C ATOM 954 OE1 GLU A 69 -3.149 6.972 -5.525 1.00 0.00 O ATOM 955 OE2 GLU A 69 -2.060 5.754 -4.055 1.00 0.00 O ATOM 0 H GLU A 69 -5.722 2.510 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.352 4.037 -7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.961 5.728 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.576 5.185 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.562 3.866 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.961 4.224 -6.356 1.00 0.00 H new ATOM 962 N SER A 70 -3.898 3.506 -8.386 1.00 0.00 N ATOM 963 CA SER A 70 -2.864 2.842 -9.171 1.00 0.00 C ATOM 964 C SER A 70 -1.490 3.430 -8.868 1.00 0.00 C ATOM 965 O SER A 70 -1.162 4.533 -9.309 1.00 0.00 O ATOM 966 CB SER A 70 -3.169 2.969 -10.665 1.00 0.00 C ATOM 967 OG SER A 70 -4.024 1.927 -11.102 1.00 0.00 O ATOM 0 H SER A 70 -4.060 4.480 -8.641 1.00 0.00 H new ATOM 0 HA SER A 70 -2.856 1.787 -8.898 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.636 3.934 -10.863 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.239 2.942 -11.233 1.00 0.00 H new ATOM 0 HG SER A 70 -4.205 2.032 -12.059 1.00 0.00 H new ATOM 973 N THR A 71 -0.688 2.687 -8.112 1.00 0.00 N ATOM 974 CA THR A 71 0.651 3.134 -7.749 1.00 0.00 C ATOM 975 C THR A 71 1.658 2.801 -8.844 1.00 0.00 C ATOM 976 O THR A 71 2.867 2.853 -8.623 1.00 0.00 O ATOM 977 CB THR A 71 1.117 2.495 -6.427 1.00 0.00 C ATOM 978 OG1 THR A 71 2.289 3.162 -5.947 1.00 0.00 O ATOM 979 CG2 THR A 71 1.412 1.014 -6.616 1.00 0.00 C ATOM 0 H THR A 71 -0.943 1.772 -7.739 1.00 0.00 H new ATOM 0 HA THR A 71 0.600 4.216 -7.623 1.00 0.00 H new ATOM 0 HB THR A 71 0.315 2.599 -5.696 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.915 3.298 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.739 0.584 -5.669 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.510 0.504 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.198 0.892 -7.361 1.00 0.00 H new ATOM 987 N GLN A 72 1.151 2.460 -10.024 1.00 0.00 N ATOM 988 CA GLN A 72 2.008 2.118 -11.153 1.00 0.00 C ATOM 989 C GLN A 72 2.968 3.259 -11.472 1.00 0.00 C ATOM 990 O GLN A 72 4.119 3.030 -11.842 1.00 0.00 O ATOM 991 CB GLN A 72 1.160 1.792 -12.384 1.00 0.00 C ATOM 992 CG GLN A 72 1.978 1.575 -13.646 1.00 0.00 C ATOM 993 CD GLN A 72 2.661 0.222 -13.674 1.00 0.00 C ATOM 994 OE1 GLN A 72 2.229 -0.719 -13.007 1.00 0.00 O ATOM 995 NE2 GLN A 72 3.736 0.117 -14.446 1.00 0.00 N ATOM 0 H GLN A 72 0.152 2.413 -10.223 1.00 0.00 H new ATOM 0 HA GLN A 72 2.593 1.240 -10.880 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.573 0.896 -12.183 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.454 2.605 -12.554 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.328 1.667 -14.516 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.731 2.359 -13.726 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.060 0.922 -14.982 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.238 -0.769 -14.503 1.00 0.00 H new ATOM 1004 N GLY A 73 2.488 4.490 -11.325 1.00 0.00 N ATOM 1005 CA GLY A 73 3.317 5.649 -11.602 1.00 0.00 C ATOM 1006 C GLY A 73 3.250 6.686 -10.499 1.00 0.00 C ATOM 1007 O GLY A 73 3.386 7.884 -10.753 1.00 0.00 O ATOM 0 H GLY A 73 1.539 4.706 -11.019 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.351 5.329 -11.734 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.001 6.102 -12.542 1.00 0.00 H new ATOM 1011 N LEU A 74 3.038 6.228 -9.270 1.00 0.00 N ATOM 1012 CA LEU A 74 2.952 7.126 -8.123 1.00 0.00 C ATOM 1013 C LEU A 74 4.281 7.185 -7.377 1.00 0.00 C ATOM 1014 O LEU A 74 5.081 6.251 -7.436 1.00 0.00 O ATOM 1015 CB LEU A 74 1.841 6.669 -7.176 1.00 0.00 C ATOM 1016 CG LEU A 74 0.410 6.950 -7.634 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -0.563 6.786 -6.477 1.00 0.00 C ATOM 1018 CD2 LEU A 74 0.305 8.348 -8.227 1.00 0.00 C ATOM 0 H LEU A 74 2.923 5.241 -9.042 1.00 0.00 H new ATOM 0 HA LEU A 74 2.719 8.125 -8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.946 5.596 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.993 7.151 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 74 0.148 6.228 -8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.577 6.990 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.508 5.766 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.303 7.484 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.721 8.531 -8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.587 9.085 -7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.973 8.431 -9.084 1.00 0.00 H new ATOM 1030 N THR A 75 4.509 8.289 -6.672 1.00 0.00 N ATOM 1031 CA THR A 75 5.740 8.470 -5.912 1.00 0.00 C ATOM 1032 C THR A 75 5.497 8.283 -4.419 1.00 0.00 C ATOM 1033 O THR A 75 4.381 7.982 -3.994 1.00 0.00 O ATOM 1034 CB THR A 75 6.348 9.865 -6.152 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.357 10.875 -5.932 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.894 9.982 -7.566 1.00 0.00 C ATOM 0 H THR A 75 3.857 9.071 -6.612 1.00 0.00 H new ATOM 0 HA THR A 75 6.441 7.712 -6.260 1.00 0.00 H new ATOM 0 HB THR A 75 7.170 10.004 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.751 11.759 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.318 10.976 -7.711 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.669 9.231 -7.720 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.087 9.824 -8.282 1.00 0.00 H new ATOM 1044 N HIS A 76 6.549 8.462 -3.626 1.00 0.00 N ATOM 1045 CA HIS A 76 6.449 8.314 -2.179 1.00 0.00 C ATOM 1046 C HIS A 76 5.482 9.339 -1.593 1.00 0.00 C ATOM 1047 O HIS A 76 4.734 9.040 -0.663 1.00 0.00 O ATOM 1048 CB HIS A 76 7.826 8.469 -1.533 1.00 0.00 C ATOM 1049 CG HIS A 76 7.821 8.252 -0.051 1.00 0.00 C ATOM 1050 ND1 HIS A 76 7.547 9.254 0.856 1.00 0.00 N ATOM 1051 CD2 HIS A 76 8.055 7.138 0.682 1.00 0.00 C ATOM 1052 CE1 HIS A 76 7.616 8.767 2.082 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.922 7.485 2.004 1.00 0.00 N ATOM 0 H HIS A 76 7.480 8.710 -3.961 1.00 0.00 H new ATOM 0 HA HIS A 76 6.066 7.316 -1.967 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.516 7.761 -1.993 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.207 9.468 -1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 76 8.301 6.159 0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.450 9.323 2.993 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.040 6.855 2.797 1.00 0.00 H new ATOM 1062 N ALA A 77 5.503 10.548 -2.145 1.00 0.00 N ATOM 1063 CA ALA A 77 4.628 11.616 -1.678 1.00 0.00 C ATOM 1064 C ALA A 77 3.176 11.338 -2.052 1.00 0.00 C ATOM 1065 O ALA A 77 2.269 11.539 -1.245 1.00 0.00 O ATOM 1066 CB ALA A 77 5.076 12.953 -2.249 1.00 0.00 C ATOM 0 H ALA A 77 6.116 10.812 -2.916 1.00 0.00 H new ATOM 0 HA ALA A 77 4.694 11.658 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.414 13.741 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.096 13.163 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.040 12.914 -3.338 1.00 0.00 H new ATOM 1072 N GLN A 78 2.964 10.877 -3.281 1.00 0.00 N ATOM 1073 CA GLN A 78 1.621 10.574 -3.761 1.00 0.00 C ATOM 1074 C GLN A 78 0.965 9.498 -2.902 1.00 0.00 C ATOM 1075 O GLN A 78 -0.052 9.743 -2.253 1.00 0.00 O ATOM 1076 CB GLN A 78 1.669 10.118 -5.220 1.00 0.00 C ATOM 1077 CG GLN A 78 1.844 11.260 -6.209 1.00 0.00 C ATOM 1078 CD GLN A 78 0.758 12.311 -6.084 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.289 12.070 -5.482 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.001 13.485 -6.655 1.00 0.00 N ATOM 0 H GLN A 78 3.704 10.705 -3.961 1.00 0.00 H new ATOM 0 HA GLN A 78 1.024 11.483 -3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.490 9.412 -5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.749 9.582 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.816 11.727 -6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.843 10.861 -7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.882 13.642 -7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.306 14.230 -6.605 1.00 0.00 H new ATOM 1089 N ALA A 79 1.555 8.307 -2.902 1.00 0.00 N ATOM 1090 CA ALA A 79 1.029 7.194 -2.121 1.00 0.00 C ATOM 1091 C ALA A 79 0.660 7.640 -0.710 1.00 0.00 C ATOM 1092 O ALA A 79 -0.431 7.347 -0.221 1.00 0.00 O ATOM 1093 CB ALA A 79 2.041 6.060 -2.071 1.00 0.00 C ATOM 0 H ALA A 79 2.397 8.088 -3.434 1.00 0.00 H new ATOM 0 HA ALA A 79 0.123 6.836 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.635 5.236 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.252 5.716 -3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.962 6.415 -1.609 1.00 0.00 H new ATOM 1099 N VAL A 80 1.578 8.349 -0.060 1.00 0.00 N ATOM 1100 CA VAL A 80 1.349 8.835 1.296 1.00 0.00 C ATOM 1101 C VAL A 80 0.110 9.722 1.360 1.00 0.00 C ATOM 1102 O VAL A 80 -0.877 9.378 2.009 1.00 0.00 O ATOM 1103 CB VAL A 80 2.561 9.627 1.820 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.296 10.141 3.226 1.00 0.00 C ATOM 1105 CG2 VAL A 80 3.815 8.766 1.786 1.00 0.00 C ATOM 0 H VAL A 80 2.487 8.599 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 80 1.198 7.958 1.925 1.00 0.00 H new ATOM 0 HB VAL A 80 2.720 10.487 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.164 10.698 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.424 10.795 3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.110 9.299 3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.662 9.342 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.669 7.886 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.013 8.453 0.761 1.00 0.00 H new ATOM 1115 N GLU A 81 0.171 10.863 0.681 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.947 11.800 0.662 1.00 0.00 C ATOM 1117 C GLU A 81 -2.274 11.060 0.518 1.00 0.00 C ATOM 1118 O GLU A 81 -3.238 11.348 1.227 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.782 12.802 -0.482 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.449 14.141 -0.219 1.00 0.00 C ATOM 1121 CD GLU A 81 -0.532 15.120 0.488 1.00 0.00 C ATOM 1122 OE1 GLU A 81 0.527 15.458 -0.080 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -0.875 15.549 1.610 1.00 0.00 O ATOM 0 H GLU A 81 0.981 11.161 0.138 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.952 12.339 1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.281 12.964 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.197 12.372 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.775 14.573 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.343 13.985 0.385 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.315 10.105 -0.406 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.523 9.325 -0.645 1.00 0.00 C ATOM 1132 C ARG A 82 -4.026 8.690 0.649 1.00 0.00 C ATOM 1133 O ARG A 82 -5.172 8.896 1.048 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.256 8.238 -1.688 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.909 8.785 -3.063 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.145 9.292 -3.788 1.00 0.00 C ATOM 1137 NE ARG A 82 -4.585 10.589 -3.281 1.00 0.00 N ATOM 1138 CZ ARG A 82 -3.929 11.724 -3.498 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -2.811 11.721 -4.210 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -4.393 12.864 -3.002 1.00 0.00 N ATOM 0 H ARG A 82 -1.526 9.853 -1.001 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.292 10.000 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.438 7.606 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.137 7.602 -1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.187 9.595 -2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.432 8.005 -3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.932 9.373 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.952 8.567 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.443 10.626 -2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.452 10.846 -4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.309 12.594 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.253 12.869 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.889 13.735 -3.169 1.00 0.00 H new ATOM 1154 N ILE A 83 -3.161 7.919 1.299 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.517 7.256 2.547 1.00 0.00 C ATOM 1156 C ILE A 83 -4.148 8.236 3.530 1.00 0.00 C ATOM 1157 O ILE A 83 -5.249 8.007 4.030 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.289 6.602 3.208 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.652 5.586 2.258 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.684 5.937 4.518 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -0.451 4.880 2.846 1.00 0.00 C ATOM 0 H ILE A 83 -2.209 7.738 0.982 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.240 6.480 2.296 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.555 7.378 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.399 4.843 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.352 6.095 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.806 5.479 4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.096 6.685 5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.434 5.170 4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.051 4.175 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.314 5.614 3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.750 4.342 3.746 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.444 9.330 3.800 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.935 10.347 4.723 1.00 0.00 C ATOM 1175 C ARG A 84 -5.301 10.865 4.283 1.00 0.00 C ATOM 1176 O ARG A 84 -6.247 10.895 5.069 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.942 11.507 4.813 1.00 0.00 C ATOM 1178 CG ARG A 84 -1.647 11.146 5.524 1.00 0.00 C ATOM 1179 CD ARG A 84 -0.641 12.284 5.459 1.00 0.00 C ATOM 1180 NE ARG A 84 -1.141 13.495 6.103 1.00 0.00 N ATOM 1181 CZ ARG A 84 -0.536 14.675 6.021 1.00 0.00 C ATOM 1182 NH1 ARG A 84 0.587 14.801 5.326 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -1.053 15.731 6.635 1.00 0.00 N ATOM 0 H ARG A 84 -2.532 9.535 3.393 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.038 9.890 5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.709 11.854 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.414 12.339 5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.858 10.904 6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.218 10.253 5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.287 11.975 5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.404 12.499 4.417 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.002 13.432 6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.988 13.991 4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.050 15.708 5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.916 15.638 7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.588 16.636 6.571 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.395 11.274 3.021 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.644 11.790 2.477 1.00 0.00 C ATOM 1199 C ALA A 85 -7.738 10.727 2.508 1.00 0.00 C ATOM 1200 O ALA A 85 -8.925 11.046 2.557 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.433 12.291 1.056 1.00 0.00 C ATOM 0 H ALA A 85 -4.621 11.258 2.357 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.966 12.624 3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.374 12.674 0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.689 13.088 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.084 11.471 0.429 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.328 9.463 2.479 1.00 0.00 N ATOM 1208 CA GLY A 86 -8.286 8.372 2.504 1.00 0.00 C ATOM 1209 C GLY A 86 -9.329 8.542 3.591 1.00 0.00 C ATOM 1210 O GLY A 86 -10.514 8.302 3.366 1.00 0.00 O ATOM 0 H GLY A 86 -6.350 9.174 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.782 8.306 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.757 7.431 2.656 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.887 8.956 4.775 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.804 9.148 5.883 1.00 0.00 C ATOM 1216 C GLY A 87 -9.322 8.482 7.156 1.00 0.00 C ATOM 1217 O GLY A 87 -8.132 8.219 7.333 1.00 0.00 O ATOM 0 H GLY A 87 -7.911 9.162 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.934 10.215 6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.782 8.748 5.615 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.260 8.199 8.072 1.00 0.00 N ATOM 1222 CA PRO A 88 -9.949 7.557 9.353 1.00 0.00 C ATOM 1223 C PRO A 88 -9.534 6.099 9.184 1.00 0.00 C ATOM 1224 O PRO A 88 -8.796 5.556 10.005 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.265 7.652 10.127 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.318 7.736 9.076 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.698 8.484 7.928 1.00 0.00 C ATOM 0 HA PRO A 88 -9.109 8.036 9.855 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.412 6.781 10.766 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.281 8.529 10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.640 6.742 8.766 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.201 8.255 9.449 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.082 8.138 6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.904 9.553 7.987 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.013 5.472 8.114 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.692 4.077 7.839 1.00 0.00 C ATOM 1237 C GLN A 89 -8.599 3.968 6.781 1.00 0.00 C ATOM 1238 O GLN A 89 -8.637 4.658 5.761 1.00 0.00 O ATOM 1239 CB GLN A 89 -10.941 3.325 7.378 1.00 0.00 C ATOM 1240 CG GLN A 89 -11.887 2.963 8.511 1.00 0.00 C ATOM 1241 CD GLN A 89 -11.542 1.635 9.157 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -10.571 0.981 8.778 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -12.339 1.230 10.140 1.00 0.00 N ATOM 0 H GLN A 89 -10.624 5.908 7.424 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.326 3.627 8.761 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.475 3.937 6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.637 2.413 6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.860 3.748 9.267 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.907 2.923 8.129 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.133 1.804 10.422 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.156 0.345 10.613 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.625 3.099 7.031 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.520 2.900 6.099 1.00 0.00 C ATOM 1254 C LEU A 90 -6.786 1.708 5.185 1.00 0.00 C ATOM 1255 O LEU A 90 -7.242 0.656 5.636 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.214 2.688 6.865 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.164 1.818 6.174 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.770 2.163 6.675 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.463 0.342 6.398 1.00 0.00 C ATOM 0 H LEU A 90 -7.578 2.522 7.870 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.432 3.794 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.772 3.664 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.451 2.239 7.830 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.202 2.018 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.036 1.533 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.556 3.210 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.717 1.993 7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.706 -0.262 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.453 0.127 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.445 0.103 5.989 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.498 1.879 3.899 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.703 0.817 2.921 1.00 0.00 C ATOM 1273 C HIS A 91 -5.496 0.689 1.996 1.00 0.00 C ATOM 1274 O HIS A 91 -5.279 1.528 1.122 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.964 1.087 2.100 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.543 -0.142 1.470 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.389 -0.447 0.134 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.280 -1.146 2.001 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -9.006 -1.585 -0.130 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.555 -2.030 0.987 1.00 0.00 N ATOM 0 H HIS A 91 -6.122 2.743 3.510 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.825 -0.122 3.461 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.716 1.544 2.744 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.731 1.810 1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.593 -1.235 3.031 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.054 -2.069 -1.094 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.095 -2.890 1.080 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.714 -0.366 2.195 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.528 -0.604 1.380 1.00 0.00 C ATOM 1291 C LEU A 92 -3.537 -2.018 0.806 1.00 0.00 C ATOM 1292 O LEU A 92 -3.758 -2.991 1.527 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.262 -0.386 2.209 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.217 0.897 3.041 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -0.996 0.903 3.946 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.219 2.119 2.135 1.00 0.00 C ATOM 0 H LEU A 92 -4.880 -1.070 2.914 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.538 0.105 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.141 -1.236 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.405 -0.388 1.535 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.108 0.933 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.981 1.823 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.038 0.047 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.093 0.844 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.187 3.023 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.347 2.089 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.125 2.121 1.529 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.292 -2.124 -0.496 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.268 -3.418 -1.167 1.00 0.00 C ATOM 1310 C VAL A 93 -1.864 -4.012 -1.164 1.00 0.00 C ATOM 1311 O VAL A 93 -0.933 -3.434 -1.726 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.763 -3.306 -2.621 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -4.163 -4.673 -3.155 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.924 -2.328 -2.714 1.00 0.00 C ATOM 0 H VAL A 93 -3.107 -1.329 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.939 -4.074 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.947 -2.926 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.510 -4.574 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.303 -5.341 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.963 -5.084 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.261 -2.261 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.744 -2.676 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.599 -1.345 -2.374 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.719 -5.170 -0.528 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.428 -5.844 -0.454 1.00 0.00 C ATOM 1326 C ILE A 94 -0.544 -7.302 -0.883 1.00 0.00 C ATOM 1327 O ILE A 94 -1.590 -7.929 -0.713 1.00 0.00 O ATOM 1328 CB ILE A 94 0.157 -5.784 0.970 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.240 -4.333 1.450 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.529 -6.439 1.006 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.277 -3.512 0.716 1.00 0.00 C ATOM 0 H ILE A 94 -2.479 -5.661 -0.057 1.00 0.00 H new ATOM 0 HA ILE A 94 0.242 -5.320 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.503 -6.332 1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.736 -3.863 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.469 -4.324 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.930 -6.389 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.442 -7.482 0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.200 -5.916 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.280 -2.495 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.261 -3.959 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.038 -3.490 -0.347 1.00 0.00 H new ATOM 1343 N ARG A 95 0.538 -7.837 -1.439 1.00 0.00 N ATOM 1344 CA ARG A 95 0.559 -9.223 -1.892 1.00 0.00 C ATOM 1345 C ARG A 95 1.877 -9.897 -1.521 1.00 0.00 C ATOM 1346 O ARG A 95 2.933 -9.551 -2.052 1.00 0.00 O ATOM 1347 CB ARG A 95 0.347 -9.290 -3.405 1.00 0.00 C ATOM 1348 CG ARG A 95 0.500 -10.689 -3.980 1.00 0.00 C ATOM 1349 CD ARG A 95 0.063 -10.744 -5.436 1.00 0.00 C ATOM 1350 NE ARG A 95 -0.254 -12.104 -5.861 1.00 0.00 N ATOM 1351 CZ ARG A 95 0.667 -13.026 -6.122 1.00 0.00 C ATOM 1352 NH1 ARG A 95 1.954 -12.734 -6.002 1.00 0.00 N ATOM 1353 NH2 ARG A 95 0.300 -14.242 -6.504 1.00 0.00 N ATOM 0 H ARG A 95 1.412 -7.332 -1.587 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.253 -9.754 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.650 -8.916 -3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.060 -8.626 -3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.540 -11.005 -3.899 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.093 -11.391 -3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.811 -10.107 -5.577 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.855 -10.342 -6.068 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.236 -12.361 -5.963 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.240 -11.800 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.659 -13.443 -6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.690 -14.470 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.008 -14.949 -6.704 1.00 0.00 H new ATOM 1367 N ARG A 96 1.807 -10.859 -0.607 1.00 0.00 N ATOM 1368 CA ARG A 96 2.995 -11.579 -0.165 1.00 0.00 C ATOM 1369 C ARG A 96 3.691 -12.255 -1.342 1.00 0.00 C ATOM 1370 O ARG A 96 3.129 -13.120 -2.015 1.00 0.00 O ATOM 1371 CB ARG A 96 2.621 -12.624 0.888 1.00 0.00 C ATOM 1372 CG ARG A 96 3.727 -12.900 1.893 1.00 0.00 C ATOM 1373 CD ARG A 96 3.318 -13.970 2.893 1.00 0.00 C ATOM 1374 NE ARG A 96 2.267 -13.504 3.794 1.00 0.00 N ATOM 1375 CZ ARG A 96 0.973 -13.547 3.498 1.00 0.00 C ATOM 1376 NH1 ARG A 96 0.572 -14.034 2.332 1.00 0.00 N ATOM 1377 NH2 ARG A 96 0.076 -13.104 4.371 1.00 0.00 N ATOM 0 H ARG A 96 0.941 -11.158 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 96 3.683 -10.858 0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.732 -12.287 1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.357 -13.555 0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.627 -13.218 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.976 -11.981 2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.971 -14.853 2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.188 -14.273 3.476 1.00 0.00 H new ATOM 0 HE ARG A 96 2.542 -13.125 4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.258 -14.377 1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.422 -14.066 2.107 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.381 -12.730 5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.918 -13.137 4.143 1.00 0.00 H new ATOM 1391 N PRO A 97 4.944 -11.852 -1.600 1.00 0.00 N ATOM 1392 CA PRO A 97 5.745 -12.405 -2.696 1.00 0.00 C ATOM 1393 C PRO A 97 6.157 -13.851 -2.441 1.00 0.00 C ATOM 1394 O PRO A 97 6.613 -14.193 -1.349 1.00 0.00 O ATOM 1395 CB PRO A 97 6.975 -11.496 -2.731 1.00 0.00 C ATOM 1396 CG PRO A 97 7.086 -10.956 -1.348 1.00 0.00 C ATOM 1397 CD PRO A 97 5.677 -10.826 -0.839 1.00 0.00 C ATOM 0 HA PRO A 97 5.190 -12.429 -3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.870 -12.051 -3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.855 -10.695 -3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.670 -11.624 -0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.592 -9.991 -1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.619 -11.004 0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.275 -9.829 -1.018 1.00 0.00 H new ATOM 1405 N LEU A 98 5.995 -14.695 -3.453 1.00 0.00 N ATOM 1406 CA LEU A 98 6.352 -16.105 -3.339 1.00 0.00 C ATOM 1407 C LEU A 98 7.592 -16.284 -2.468 1.00 0.00 C ATOM 1408 O LEU A 98 8.656 -15.742 -2.767 1.00 0.00 O ATOM 1409 CB LEU A 98 6.597 -16.704 -4.725 1.00 0.00 C ATOM 1410 CG LEU A 98 6.774 -18.222 -4.778 1.00 0.00 C ATOM 1411 CD1 LEU A 98 5.439 -18.923 -4.582 1.00 0.00 C ATOM 1412 CD2 LEU A 98 7.409 -18.639 -6.097 1.00 0.00 C ATOM 0 H LEU A 98 5.619 -14.428 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 98 5.520 -16.628 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.760 -16.433 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.488 -16.239 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 98 7.439 -18.519 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.585 -20.002 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.023 -18.650 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.750 -18.620 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.527 -19.722 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.769 -18.328 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.386 -18.165 -6.196 1.00 0.00 H new ATOM 1424 N SER A 99 7.447 -17.049 -1.391 1.00 0.00 N ATOM 1425 CA SER A 99 8.555 -17.299 -0.476 1.00 0.00 C ATOM 1426 C SER A 99 8.669 -18.786 -0.155 1.00 0.00 C ATOM 1427 O SER A 99 7.664 -19.481 -0.015 1.00 0.00 O ATOM 1428 CB SER A 99 8.368 -16.499 0.815 1.00 0.00 C ATOM 1429 OG SER A 99 9.611 -16.257 1.449 1.00 0.00 O ATOM 0 H SER A 99 6.573 -17.506 -1.130 1.00 0.00 H new ATOM 0 HA SER A 99 9.476 -16.979 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.880 -15.551 0.591 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.711 -17.044 1.492 1.00 0.00 H new ATOM 0 HG SER A 99 9.465 -15.743 2.270 1.00 0.00 H new ATOM 1435 N GLY A 100 9.904 -19.266 -0.038 1.00 0.00 N ATOM 1436 CA GLY A 100 10.129 -20.667 0.266 1.00 0.00 C ATOM 1437 C GLY A 100 11.529 -20.931 0.782 1.00 0.00 C ATOM 1438 O GLY A 100 11.749 -21.110 1.980 1.00 0.00 O ATOM 0 H GLY A 100 10.752 -18.710 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 100 9.403 -20.995 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 100 9.958 -21.262 -0.631 1.00 0.00 H new ATOM 1442 N PRO A 101 12.507 -20.959 -0.136 1.00 0.00 N ATOM 1443 CA PRO A 101 13.910 -21.204 0.209 1.00 0.00 C ATOM 1444 C PRO A 101 14.530 -20.040 0.975 1.00 0.00 C ATOM 1445 O PRO A 101 15.697 -20.091 1.362 1.00 0.00 O ATOM 1446 CB PRO A 101 14.587 -21.367 -1.154 1.00 0.00 C ATOM 1447 CG PRO A 101 13.721 -20.611 -2.101 1.00 0.00 C ATOM 1448 CD PRO A 101 12.317 -20.754 -1.582 1.00 0.00 C ATOM 0 HA PRO A 101 14.024 -22.068 0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 101 15.602 -20.969 -1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 101 14.660 -22.417 -1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 101 14.015 -19.562 -2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 101 13.806 -21.010 -3.112 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.720 -19.865 -1.787 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.802 -21.597 -2.043 1.00 0.00 H new ATOM 1456 N SER A 102 13.740 -18.993 1.192 1.00 0.00 N ATOM 1457 CA SER A 102 14.213 -17.815 1.910 1.00 0.00 C ATOM 1458 C SER A 102 15.189 -18.207 3.014 1.00 0.00 C ATOM 1459 O SER A 102 14.936 -19.137 3.780 1.00 0.00 O ATOM 1460 CB SER A 102 13.032 -17.047 2.506 1.00 0.00 C ATOM 1461 OG SER A 102 12.681 -17.561 3.780 1.00 0.00 O ATOM 0 H SER A 102 12.770 -18.937 0.881 1.00 0.00 H new ATOM 0 HA SER A 102 14.734 -17.172 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.288 -15.991 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.175 -17.113 1.835 1.00 0.00 H new ATOM 0 HG SER A 102 11.925 -17.053 4.141 1.00 0.00 H new ATOM 1467 N SER A 103 16.307 -17.491 3.090 1.00 0.00 N ATOM 1468 CA SER A 103 17.324 -17.766 4.098 1.00 0.00 C ATOM 1469 C SER A 103 17.788 -16.476 4.767 1.00 0.00 C ATOM 1470 O SER A 103 18.515 -15.681 4.172 1.00 0.00 O ATOM 1471 CB SER A 103 18.518 -18.484 3.466 1.00 0.00 C ATOM 1472 OG SER A 103 18.247 -19.863 3.288 1.00 0.00 O ATOM 0 H SER A 103 16.531 -16.716 2.465 1.00 0.00 H new ATOM 0 HA SER A 103 16.882 -18.411 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.752 -18.029 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.397 -18.362 4.099 1.00 0.00 H new ATOM 0 HG SER A 103 17.468 -19.970 2.703 1.00 0.00 H new ATOM 1478 N GLY A 104 17.362 -16.274 6.010 1.00 0.00 N ATOM 1479 CA GLY A 104 17.743 -15.080 6.741 1.00 0.00 C ATOM 1480 C GLY A 104 16.582 -14.471 7.503 1.00 0.00 C ATOM 1481 O GLY A 104 15.852 -13.636 6.971 1.00 0.00 O ATOM 0 H GLY A 104 16.759 -16.917 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 104 18.543 -15.325 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 104 18.143 -14.343 6.044 1.00 0.00 H new TER 1485 GLY A 104