USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 623 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 28 HIS : no HD1:sc= -0.668 K(o=-0.67,f=-4.8!) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -5.28! C(o=-5.3!,f=-3.8!) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= -4.33! (180deg=-4.67!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= -1.8! (180deg=-1.8!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 27 SER OG : rot 180:sc= -0.121 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -10.9! C(o=-11!,f=-3.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.58! C(o=-2.6!,f=-4.3!) USER MOD Single : A 58 HIS : no HD1:sc= -0.0791 X(o=-0.079,f=-0.00046) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -5.57! K(o=-5.6!,f=-0.87) USER MOD Single : A 72 TYR OH : rot 180:sc= -3.1! USER MOD Single : A 75 GLN : amide:sc= -6.15! C(o=-6.2!,f=-7.3!) USER MOD Single : A 76 ASN : amide:sc= 0.0788 X(o=0.079,f=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= -7.11! (180deg=-7.23!) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -3.825 -7.007 10.736 1.00 0.00 N ATOM 21 CA ASN A 2 -3.293 -5.763 11.280 1.00 0.00 C ATOM 22 C ASN A 2 -1.955 -5.413 10.641 1.00 0.00 C ATOM 23 O ASN A 2 -1.609 -4.243 10.500 1.00 0.00 O ATOM 24 CB ASN A 2 -3.132 -5.868 12.797 1.00 0.00 C ATOM 25 CG ASN A 2 -4.457 -6.059 13.509 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.327 -5.189 13.468 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.618 -7.202 14.164 1.00 0.00 N ATOM 0 HA ASN A 2 -4.003 -4.969 11.051 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.473 -6.704 13.032 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.649 -4.966 13.171 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.490 -7.387 14.660 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.870 -7.895 14.171 1.00 0.00 H new ATOM 34 N ASP A 3 -1.204 -6.436 10.268 1.00 0.00 N ATOM 35 CA ASP A 3 0.104 -6.240 9.654 1.00 0.00 C ATOM 36 C ASP A 3 0.026 -5.274 8.477 1.00 0.00 C ATOM 37 O ASP A 3 1.010 -4.617 8.137 1.00 0.00 O ATOM 38 CB ASP A 3 0.678 -7.581 9.191 1.00 0.00 C ATOM 39 CG ASP A 3 -0.097 -8.171 8.030 1.00 0.00 C ATOM 40 OD1 ASP A 3 -1.230 -8.648 8.253 1.00 0.00 O ATOM 41 OD2 ASP A 3 0.429 -8.158 6.897 1.00 0.00 O ATOM 0 H ASP A 3 -1.476 -7.413 10.379 1.00 0.00 H new ATOM 0 HA ASP A 3 0.763 -5.806 10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.719 -7.446 8.898 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.670 -8.284 10.024 1.00 0.00 H new ATOM 46 N VAL A 4 -1.143 -5.194 7.855 1.00 0.00 N ATOM 47 CA VAL A 4 -1.336 -4.309 6.712 1.00 0.00 C ATOM 48 C VAL A 4 -1.350 -2.842 7.130 1.00 0.00 C ATOM 49 O VAL A 4 -0.582 -2.040 6.614 1.00 0.00 O ATOM 50 CB VAL A 4 -2.642 -4.626 5.964 1.00 0.00 C ATOM 51 CG1 VAL A 4 -2.594 -6.028 5.378 1.00 0.00 C ATOM 52 CG2 VAL A 4 -3.839 -4.461 6.886 1.00 0.00 C ATOM 0 H VAL A 4 -1.970 -5.729 8.121 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.490 -4.482 6.046 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.750 -3.919 5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.526 -6.235 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.760 -6.102 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.461 -6.753 6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.754 -4.690 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.743 -5.141 7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.880 -3.434 7.249 1.00 0.00 H new ATOM 62 N LEU A 5 -2.230 -2.494 8.062 1.00 0.00 N ATOM 63 CA LEU A 5 -2.338 -1.122 8.538 1.00 0.00 C ATOM 64 C LEU A 5 -1.099 -0.714 9.322 1.00 0.00 C ATOM 65 O LEU A 5 -0.678 0.436 9.285 1.00 0.00 O ATOM 66 CB LEU A 5 -3.594 -0.944 9.397 1.00 0.00 C ATOM 67 CG LEU A 5 -3.390 -1.069 10.908 1.00 0.00 C ATOM 68 CD1 LEU A 5 -2.963 -2.478 11.261 1.00 0.00 C ATOM 69 CD2 LEU A 5 -2.370 -0.053 11.402 1.00 0.00 C ATOM 0 H LEU A 5 -2.880 -3.145 8.503 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.418 -0.473 7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.019 0.037 9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.332 -1.684 9.086 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.337 -0.859 11.405 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.821 -2.556 12.339 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.733 -3.182 10.945 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.027 -2.713 10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.241 -0.161 12.479 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.416 -0.224 10.904 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.721 0.954 11.177 1.00 0.00 H new ATOM 81 N THR A 6 -0.531 -1.664 10.046 1.00 0.00 N ATOM 82 CA THR A 6 0.648 -1.401 10.860 1.00 0.00 C ATOM 83 C THR A 6 1.842 -0.982 10.011 1.00 0.00 C ATOM 84 O THR A 6 2.421 0.085 10.214 1.00 0.00 O ATOM 85 CB THR A 6 1.010 -2.635 11.685 1.00 0.00 C ATOM 86 OG1 THR A 6 1.084 -2.313 13.061 1.00 0.00 O ATOM 87 CG2 THR A 6 2.334 -3.248 11.287 1.00 0.00 C ATOM 0 H THR A 6 -0.867 -2.626 10.088 1.00 0.00 H new ATOM 0 HA THR A 6 0.403 -0.575 11.527 1.00 0.00 H new ATOM 0 HB THR A 6 0.217 -3.358 11.491 1.00 0.00 H new ATOM 0 HG1 THR A 6 1.315 -3.116 13.573 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.533 -4.120 11.910 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.295 -3.551 10.241 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.130 -2.516 11.423 1.00 0.00 H new ATOM 95 N ARG A 7 2.212 -1.837 9.072 1.00 0.00 N ATOM 96 CA ARG A 7 3.342 -1.576 8.196 1.00 0.00 C ATOM 97 C ARG A 7 2.975 -0.579 7.105 1.00 0.00 C ATOM 98 O ARG A 7 3.772 0.286 6.743 1.00 0.00 O ATOM 99 CB ARG A 7 3.837 -2.879 7.566 1.00 0.00 C ATOM 100 CG ARG A 7 5.083 -2.707 6.712 1.00 0.00 C ATOM 101 CD ARG A 7 4.757 -2.780 5.229 1.00 0.00 C ATOM 102 NE ARG A 7 5.305 -3.981 4.607 1.00 0.00 N ATOM 103 CZ ARG A 7 5.786 -4.015 3.369 1.00 0.00 C ATOM 104 NH1 ARG A 7 5.784 -2.918 2.624 1.00 0.00 N ATOM 105 NH2 ARG A 7 6.266 -5.147 2.872 1.00 0.00 N ATOM 0 H ARG A 7 1.742 -2.725 8.896 1.00 0.00 H new ATOM 0 HA ARG A 7 4.140 -1.143 8.800 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.046 -3.599 8.357 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.041 -3.301 6.952 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.549 -1.748 6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.808 -3.481 6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.675 -2.763 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.154 -1.898 4.727 1.00 0.00 H new ATOM 0 HE ARG A 7 5.320 -4.842 5.153 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.413 -2.046 3.001 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.154 -2.946 1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.266 -5.994 3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.635 -5.171 1.921 1.00 0.00 H new ATOM 119 N VAL A 8 1.765 -0.718 6.580 1.00 0.00 N ATOM 120 CA VAL A 8 1.288 0.157 5.520 1.00 0.00 C ATOM 121 C VAL A 8 1.125 1.592 6.009 1.00 0.00 C ATOM 122 O VAL A 8 1.617 2.528 5.380 1.00 0.00 O ATOM 123 CB VAL A 8 -0.056 -0.333 4.946 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.210 0.117 5.829 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.241 0.170 3.522 1.00 0.00 C ATOM 0 H VAL A 8 1.096 -1.430 6.872 1.00 0.00 H new ATOM 0 HA VAL A 8 2.043 0.132 4.735 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.046 -1.423 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.150 -0.238 5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.083 -0.293 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.224 1.206 5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.195 -0.185 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.230 1.260 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.569 -0.204 2.896 1.00 0.00 H new ATOM 135 N LEU A 9 0.431 1.763 7.130 1.00 0.00 N ATOM 136 CA LEU A 9 0.212 3.095 7.688 1.00 0.00 C ATOM 137 C LEU A 9 1.528 3.722 8.135 1.00 0.00 C ATOM 138 O LEU A 9 1.796 4.891 7.862 1.00 0.00 O ATOM 139 CB LEU A 9 -0.762 3.029 8.869 1.00 0.00 C ATOM 140 CG LEU A 9 -0.166 3.399 10.229 1.00 0.00 C ATOM 141 CD1 LEU A 9 -0.682 4.754 10.685 1.00 0.00 C ATOM 142 CD2 LEU A 9 -0.491 2.328 11.257 1.00 0.00 C ATOM 0 H LEU A 9 0.013 1.003 7.667 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.221 3.719 6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.601 3.695 8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.165 2.018 8.930 1.00 0.00 H new ATOM 0 HG LEU A 9 0.917 3.462 10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.248 5.001 11.654 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.401 5.514 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.768 4.719 10.772 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.061 2.605 12.219 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.572 2.235 11.356 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.073 1.375 10.934 1.00 0.00 H new ATOM 154 N GLU A 10 2.346 2.935 8.828 1.00 0.00 N ATOM 155 CA GLU A 10 3.634 3.408 9.318 1.00 0.00 C ATOM 156 C GLU A 10 4.572 3.738 8.168 1.00 0.00 C ATOM 157 O GLU A 10 5.393 4.649 8.258 1.00 0.00 O ATOM 158 CB GLU A 10 4.281 2.351 10.211 1.00 0.00 C ATOM 159 CG GLU A 10 4.890 1.196 9.433 1.00 0.00 C ATOM 160 CD GLU A 10 6.266 0.813 9.938 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.204 1.623 9.776 1.00 0.00 O ATOM 162 OE2 GLU A 10 6.407 -0.294 10.496 1.00 0.00 O ATOM 0 H GLU A 10 2.138 1.964 9.063 1.00 0.00 H new ATOM 0 HA GLU A 10 3.456 4.316 9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.057 2.822 10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.533 1.961 10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.230 0.331 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.957 1.468 8.380 1.00 0.00 H new ATOM 169 N VAL A 11 4.452 2.975 7.095 1.00 0.00 N ATOM 170 CA VAL A 11 5.297 3.164 5.927 1.00 0.00 C ATOM 171 C VAL A 11 5.157 4.565 5.351 1.00 0.00 C ATOM 172 O VAL A 11 6.141 5.285 5.188 1.00 0.00 O ATOM 173 CB VAL A 11 4.974 2.135 4.842 1.00 0.00 C ATOM 174 CG1 VAL A 11 5.231 2.706 3.458 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.774 0.859 5.058 1.00 0.00 C ATOM 0 H VAL A 11 3.776 2.216 7.008 1.00 0.00 H new ATOM 0 HA VAL A 11 6.326 3.026 6.258 1.00 0.00 H new ATOM 0 HB VAL A 11 3.914 1.890 4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.994 1.955 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.604 3.584 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.280 2.989 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.530 0.140 4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.839 1.087 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.527 0.435 6.031 1.00 0.00 H new ATOM 185 N VAL A 12 3.927 4.942 5.045 1.00 0.00 N ATOM 186 CA VAL A 12 3.646 6.258 4.483 1.00 0.00 C ATOM 187 C VAL A 12 3.852 7.359 5.520 1.00 0.00 C ATOM 188 O VAL A 12 4.461 8.390 5.231 1.00 0.00 O ATOM 189 CB VAL A 12 2.205 6.340 3.942 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.633 4.947 3.732 1.00 0.00 C ATOM 191 CG2 VAL A 12 1.326 7.149 4.882 1.00 0.00 C ATOM 0 H VAL A 12 3.103 4.355 5.176 1.00 0.00 H new ATOM 0 HA VAL A 12 4.346 6.405 3.660 1.00 0.00 H new ATOM 0 HB VAL A 12 2.228 6.847 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.615 5.025 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.249 4.405 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.624 4.411 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.313 7.196 4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.308 6.674 5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.726 8.159 4.975 1.00 0.00 H new ATOM 201 N LYS A 13 3.341 7.133 6.726 1.00 0.00 N ATOM 202 CA LYS A 13 3.465 8.107 7.804 1.00 0.00 C ATOM 203 C LYS A 13 4.930 8.386 8.127 1.00 0.00 C ATOM 204 O LYS A 13 5.284 9.486 8.551 1.00 0.00 O ATOM 205 CB LYS A 13 2.744 7.607 9.056 1.00 0.00 C ATOM 206 CG LYS A 13 1.235 7.524 8.896 1.00 0.00 C ATOM 207 CD LYS A 13 0.742 8.447 7.794 1.00 0.00 C ATOM 208 CE LYS A 13 -0.727 8.791 7.971 1.00 0.00 C ATOM 209 NZ LYS A 13 -1.418 8.968 6.664 1.00 0.00 N ATOM 0 H LYS A 13 2.837 6.284 6.981 1.00 0.00 H new ATOM 0 HA LYS A 13 3.003 9.036 7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.128 6.621 9.317 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.977 8.271 9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.948 6.497 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.753 7.789 9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.334 9.363 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.891 7.970 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.219 8.000 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.817 9.706 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.418 9.202 6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.965 9.739 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.354 8.087 6.115 1.00 0.00 H new ATOM 223 N ASN A 14 5.778 7.384 7.926 1.00 0.00 N ATOM 224 CA ASN A 14 7.197 7.520 8.195 1.00 0.00 C ATOM 225 C ASN A 14 7.970 7.774 6.908 1.00 0.00 C ATOM 226 O ASN A 14 9.186 7.970 6.929 1.00 0.00 O ATOM 227 CB ASN A 14 7.733 6.267 8.889 1.00 0.00 C ATOM 228 CG ASN A 14 6.963 5.927 10.150 1.00 0.00 C ATOM 229 OD1 ASN A 14 6.841 6.751 11.057 1.00 0.00 O ATOM 230 ND2 ASN A 14 6.438 4.710 10.212 1.00 0.00 N ATOM 0 H ASN A 14 5.502 6.467 7.576 1.00 0.00 H new ATOM 0 HA ASN A 14 7.335 8.375 8.856 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.684 5.425 8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.784 6.415 9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.908 4.425 11.035 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.564 4.060 9.436 1.00 0.00 H new ATOM 237 N PHE A 15 7.257 7.767 5.789 1.00 0.00 N ATOM 238 CA PHE A 15 7.869 7.995 4.493 1.00 0.00 C ATOM 239 C PHE A 15 8.161 9.477 4.285 1.00 0.00 C ATOM 240 O PHE A 15 8.974 9.845 3.438 1.00 0.00 O ATOM 241 CB PHE A 15 6.962 7.470 3.379 1.00 0.00 C ATOM 242 CG PHE A 15 6.918 8.359 2.172 1.00 0.00 C ATOM 243 CD1 PHE A 15 6.231 9.559 2.209 1.00 0.00 C ATOM 244 CD2 PHE A 15 7.565 7.994 1.002 1.00 0.00 C ATOM 245 CE1 PHE A 15 6.188 10.382 1.099 1.00 0.00 C ATOM 246 CE2 PHE A 15 7.526 8.813 -0.110 1.00 0.00 C ATOM 247 CZ PHE A 15 6.837 10.008 -0.061 1.00 0.00 C ATOM 0 H PHE A 15 6.250 7.605 5.757 1.00 0.00 H new ATOM 0 HA PHE A 15 8.814 7.453 4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.305 6.480 3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.951 7.352 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.723 9.856 3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.105 7.060 0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.648 11.316 1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.034 8.519 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.806 10.650 -0.929 1.00 0.00 H new ATOM 257 N GLU A 16 7.495 10.320 5.073 1.00 0.00 N ATOM 258 CA GLU A 16 7.681 11.768 4.994 1.00 0.00 C ATOM 259 C GLU A 16 6.377 12.475 4.633 1.00 0.00 C ATOM 260 O GLU A 16 6.343 13.699 4.507 1.00 0.00 O ATOM 261 CB GLU A 16 8.762 12.119 3.968 1.00 0.00 C ATOM 262 CG GLU A 16 8.313 11.947 2.529 1.00 0.00 C ATOM 263 CD GLU A 16 8.358 13.242 1.745 1.00 0.00 C ATOM 264 OE1 GLU A 16 9.391 13.942 1.812 1.00 0.00 O ATOM 265 OE2 GLU A 16 7.361 13.560 1.063 1.00 0.00 O ATOM 0 H GLU A 16 6.819 10.023 5.777 1.00 0.00 H new ATOM 0 HA GLU A 16 7.999 12.112 5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.075 13.152 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.636 11.492 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.948 11.209 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.297 11.553 2.514 1.00 0.00 H new ATOM 272 N LYS A 17 5.308 11.704 4.468 1.00 0.00 N ATOM 273 CA LYS A 17 4.011 12.267 4.120 1.00 0.00 C ATOM 274 C LYS A 17 3.432 13.076 5.276 1.00 0.00 C ATOM 275 O LYS A 17 2.999 14.214 5.093 1.00 0.00 O ATOM 276 CB LYS A 17 3.038 11.159 3.724 1.00 0.00 C ATOM 277 CG LYS A 17 2.339 11.407 2.398 1.00 0.00 C ATOM 278 CD LYS A 17 3.325 11.413 1.241 1.00 0.00 C ATOM 279 CE LYS A 17 4.037 12.751 1.122 1.00 0.00 C ATOM 280 NZ LYS A 17 3.157 13.887 1.511 1.00 0.00 N ATOM 0 H LYS A 17 5.315 10.689 4.570 1.00 0.00 H new ATOM 0 HA LYS A 17 4.156 12.936 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.579 10.215 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.287 11.050 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.587 10.636 2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.814 12.362 2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.059 10.620 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.798 11.196 0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.925 12.747 1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.377 12.891 0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.631 14.785 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.262 13.828 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.963 13.842 2.532 1.00 0.00 H new ATOM 294 N VAL A 18 3.428 12.486 6.466 1.00 0.00 N ATOM 295 CA VAL A 18 2.900 13.159 7.648 1.00 0.00 C ATOM 296 C VAL A 18 2.911 12.237 8.861 1.00 0.00 C ATOM 297 O VAL A 18 2.841 11.015 8.726 1.00 0.00 O ATOM 298 CB VAL A 18 1.464 13.661 7.413 1.00 0.00 C ATOM 299 CG1 VAL A 18 1.463 15.145 7.081 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.793 12.859 6.307 1.00 0.00 C ATOM 0 H VAL A 18 3.783 11.546 6.638 1.00 0.00 H new ATOM 0 HA VAL A 18 3.550 14.013 7.840 1.00 0.00 H new ATOM 0 HB VAL A 18 0.894 13.519 8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.439 15.481 6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.901 15.703 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.049 15.316 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.221 13.228 6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.361 12.967 5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.758 11.807 6.590 1.00 0.00 H new ATOM 310 N ASP A 19 2.995 12.830 10.048 1.00 0.00 N ATOM 311 CA ASP A 19 3.009 12.064 11.286 1.00 0.00 C ATOM 312 C ASP A 19 1.657 11.401 11.529 1.00 0.00 C ATOM 313 O ASP A 19 0.615 12.054 11.464 1.00 0.00 O ATOM 314 CB ASP A 19 3.367 12.968 12.467 1.00 0.00 C ATOM 315 CG ASP A 19 4.680 12.579 13.116 1.00 0.00 C ATOM 316 OD1 ASP A 19 5.035 11.382 13.066 1.00 0.00 O ATOM 317 OD2 ASP A 19 5.352 13.470 13.676 1.00 0.00 O ATOM 0 H ASP A 19 3.054 13.840 10.177 1.00 0.00 H new ATOM 0 HA ASP A 19 3.765 11.284 11.193 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.426 14.001 12.125 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.571 12.923 13.210 1.00 0.00 H new ATOM 322 N ALA A 20 1.680 10.102 11.806 1.00 0.00 N ATOM 323 CA ALA A 20 0.454 9.352 12.055 1.00 0.00 C ATOM 324 C ALA A 20 -0.346 9.967 13.199 1.00 0.00 C ATOM 325 O ALA A 20 -1.518 9.645 13.391 1.00 0.00 O ATOM 326 CB ALA A 20 0.779 7.898 12.359 1.00 0.00 C ATOM 0 H ALA A 20 2.534 9.547 11.864 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.158 9.397 11.154 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.145 7.349 12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.300 7.456 11.510 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.415 7.844 13.243 1.00 0.00 H new ATOM 332 N SER A 21 0.295 10.848 13.959 1.00 0.00 N ATOM 333 CA SER A 21 -0.356 11.502 15.087 1.00 0.00 C ATOM 334 C SER A 21 -1.465 12.435 14.612 1.00 0.00 C ATOM 335 O SER A 21 -2.345 12.814 15.386 1.00 0.00 O ATOM 336 CB SER A 21 0.668 12.285 15.909 1.00 0.00 C ATOM 337 OG SER A 21 0.751 11.783 17.232 1.00 0.00 O ATOM 0 H SER A 21 1.266 11.126 13.814 1.00 0.00 H new ATOM 0 HA SER A 21 -0.801 10.729 15.714 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.646 12.224 15.431 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.390 13.339 15.933 1.00 0.00 H new ATOM 0 HG SER A 21 1.414 12.299 17.737 1.00 0.00 H new ATOM 343 N LYS A 22 -1.418 12.803 13.337 1.00 0.00 N ATOM 344 CA LYS A 22 -2.415 13.691 12.760 1.00 0.00 C ATOM 345 C LYS A 22 -3.529 12.900 12.082 1.00 0.00 C ATOM 346 O LYS A 22 -4.572 13.452 11.732 1.00 0.00 O ATOM 347 CB LYS A 22 -1.764 14.642 11.753 1.00 0.00 C ATOM 348 CG LYS A 22 -1.280 13.950 10.489 1.00 0.00 C ATOM 349 CD LYS A 22 -0.118 14.697 9.856 1.00 0.00 C ATOM 350 CE LYS A 22 -0.018 16.120 10.381 1.00 0.00 C ATOM 351 NZ LYS A 22 0.967 16.928 9.613 1.00 0.00 N ATOM 0 H LYS A 22 -0.697 12.498 12.683 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.852 14.274 13.571 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.481 15.417 11.481 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.921 15.141 12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.974 12.931 10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.100 13.879 9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.812 14.166 10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.243 14.715 8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.997 16.596 10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.270 16.100 11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.005 17.891 10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.907 16.489 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.679 16.970 8.615 1.00 0.00 H new ATOM 365 N VAL A 23 -3.296 11.606 11.893 1.00 0.00 N ATOM 366 CA VAL A 23 -4.276 10.741 11.252 1.00 0.00 C ATOM 367 C VAL A 23 -5.368 10.316 12.227 1.00 0.00 C ATOM 368 O VAL A 23 -5.087 9.757 13.287 1.00 0.00 O ATOM 369 CB VAL A 23 -3.613 9.481 10.664 1.00 0.00 C ATOM 370 CG1 VAL A 23 -4.439 8.930 9.512 1.00 0.00 C ATOM 371 CG2 VAL A 23 -2.192 9.785 10.214 1.00 0.00 C ATOM 0 H VAL A 23 -2.437 11.134 12.175 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.723 11.322 10.445 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.567 8.720 11.443 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.955 8.040 9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.435 8.670 9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.520 9.684 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.740 8.883 9.802 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.211 10.563 9.451 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.606 10.127 11.067 1.00 0.00 H new ATOM 381 N THR A 24 -6.617 10.579 11.855 1.00 0.00 N ATOM 382 CA THR A 24 -7.754 10.222 12.682 1.00 0.00 C ATOM 383 C THR A 24 -8.607 9.158 11.996 1.00 0.00 C ATOM 384 O THR A 24 -8.534 8.982 10.779 1.00 0.00 O ATOM 385 CB THR A 24 -8.596 11.460 12.999 1.00 0.00 C ATOM 386 OG1 THR A 24 -9.094 11.401 14.324 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.780 11.638 12.074 1.00 0.00 C ATOM 0 H THR A 24 -6.863 11.041 10.980 1.00 0.00 H new ATOM 0 HA THR A 24 -7.379 9.809 13.619 1.00 0.00 H new ATOM 0 HB THR A 24 -7.922 12.306 12.864 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.628 12.202 14.509 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.331 12.535 12.357 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.428 11.738 11.047 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.435 10.770 12.150 1.00 0.00 H new ATOM 395 N PRO A 25 -9.422 8.429 12.772 1.00 0.00 N ATOM 396 CA PRO A 25 -10.286 7.371 12.236 1.00 0.00 C ATOM 397 C PRO A 25 -11.211 7.875 11.132 1.00 0.00 C ATOM 398 O PRO A 25 -11.498 7.158 10.174 1.00 0.00 O ATOM 399 CB PRO A 25 -11.103 6.923 13.452 1.00 0.00 C ATOM 400 CG PRO A 25 -10.282 7.319 14.631 1.00 0.00 C ATOM 401 CD PRO A 25 -9.559 8.573 14.229 1.00 0.00 C ATOM 0 HA PRO A 25 -9.705 6.571 11.777 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.080 7.405 13.471 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.279 5.847 13.436 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.911 7.494 15.504 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.578 6.531 14.899 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.124 9.466 14.494 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.589 8.653 14.719 1.00 0.00 H new ATOM 409 N GLU A 26 -11.674 9.113 11.272 1.00 0.00 N ATOM 410 CA GLU A 26 -12.564 9.711 10.289 1.00 0.00 C ATOM 411 C GLU A 26 -11.817 10.717 9.418 1.00 0.00 C ATOM 412 O GLU A 26 -12.429 11.478 8.668 1.00 0.00 O ATOM 413 CB GLU A 26 -13.743 10.395 10.983 1.00 0.00 C ATOM 414 CG GLU A 26 -13.458 11.830 11.394 1.00 0.00 C ATOM 415 CD GLU A 26 -14.270 12.835 10.602 1.00 0.00 C ATOM 416 OE1 GLU A 26 -15.458 12.559 10.333 1.00 0.00 O ATOM 417 OE2 GLU A 26 -13.718 13.900 10.250 1.00 0.00 O ATOM 0 H GLU A 26 -11.446 9.721 12.059 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.943 8.914 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.604 10.381 10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.016 9.820 11.868 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.674 11.950 12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.397 12.039 11.259 1.00 0.00 H new ATOM 424 N SER A 27 -10.493 10.720 9.530 1.00 0.00 N ATOM 425 CA SER A 27 -9.663 11.635 8.763 1.00 0.00 C ATOM 426 C SER A 27 -9.463 11.140 7.335 1.00 0.00 C ATOM 427 O SER A 27 -9.204 9.959 7.106 1.00 0.00 O ATOM 428 CB SER A 27 -8.307 11.817 9.446 1.00 0.00 C ATOM 429 OG SER A 27 -8.034 13.187 9.683 1.00 0.00 O ATOM 0 H SER A 27 -9.973 10.096 10.147 1.00 0.00 H new ATOM 0 HA SER A 27 -10.177 12.595 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.296 11.272 10.390 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.522 11.389 8.822 1.00 0.00 H new ATOM 0 HG SER A 27 -7.162 13.276 10.122 1.00 0.00 H new ATOM 435 N HIS A 28 -9.581 12.054 6.378 1.00 0.00 N ATOM 436 CA HIS A 28 -9.409 11.720 4.974 1.00 0.00 C ATOM 437 C HIS A 28 -7.930 11.641 4.615 1.00 0.00 C ATOM 438 O HIS A 28 -7.101 12.337 5.200 1.00 0.00 O ATOM 439 CB HIS A 28 -10.108 12.756 4.092 1.00 0.00 C ATOM 440 CG HIS A 28 -11.587 12.552 3.984 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.153 11.480 3.326 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.621 13.289 4.457 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.469 11.568 3.397 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.779 12.655 4.078 1.00 0.00 N ATOM 0 H HIS A 28 -9.796 13.036 6.553 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.860 10.743 4.798 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.915 13.751 4.493 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.672 12.725 3.094 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -12.548 14.204 5.026 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.172 10.869 2.970 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.725 12.973 4.289 1.00 0.00 H new ATOM 453 N PHE A 29 -7.601 10.786 3.653 1.00 0.00 N ATOM 454 CA PHE A 29 -6.220 10.618 3.224 1.00 0.00 C ATOM 455 C PHE A 29 -5.709 11.870 2.522 1.00 0.00 C ATOM 456 O PHE A 29 -5.050 12.714 3.129 1.00 0.00 O ATOM 457 CB PHE A 29 -6.095 9.406 2.298 1.00 0.00 C ATOM 458 CG PHE A 29 -4.704 8.845 2.229 1.00 0.00 C ATOM 459 CD1 PHE A 29 -3.601 9.682 2.296 1.00 0.00 C ATOM 460 CD2 PHE A 29 -4.499 7.481 2.099 1.00 0.00 C ATOM 461 CE1 PHE A 29 -2.319 9.168 2.234 1.00 0.00 C ATOM 462 CE2 PHE A 29 -3.220 6.961 2.036 1.00 0.00 C ATOM 463 CZ PHE A 29 -2.129 7.806 2.104 1.00 0.00 C ATOM 0 H PHE A 29 -8.272 10.200 3.157 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.609 10.451 4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.776 8.626 2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.413 9.691 1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.745 10.748 2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.349 6.816 2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.468 9.830 2.287 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.074 5.896 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.129 7.402 2.056 1.00 0.00 H new ATOM 473 N VAL A 30 -6.016 11.977 1.239 1.00 0.00 N ATOM 474 CA VAL A 30 -5.589 13.117 0.440 1.00 0.00 C ATOM 475 C VAL A 30 -6.361 14.377 0.808 1.00 0.00 C ATOM 476 O VAL A 30 -5.846 15.490 0.712 1.00 0.00 O ATOM 477 CB VAL A 30 -5.758 12.845 -1.066 1.00 0.00 C ATOM 478 CG1 VAL A 30 -4.597 12.018 -1.594 1.00 0.00 C ATOM 479 CG2 VAL A 30 -7.084 12.151 -1.338 1.00 0.00 C ATOM 0 H VAL A 30 -6.562 11.285 0.726 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.532 13.270 0.658 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.760 13.801 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.735 11.836 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.664 12.558 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.559 11.065 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.186 11.967 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.115 11.202 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.903 12.786 -1.000 1.00 0.00 H new ATOM 489 N LYS A 31 -7.603 14.191 1.218 1.00 0.00 N ATOM 490 CA LYS A 31 -8.464 15.304 1.590 1.00 0.00 C ATOM 491 C LYS A 31 -8.057 15.905 2.934 1.00 0.00 C ATOM 492 O LYS A 31 -8.424 17.037 3.250 1.00 0.00 O ATOM 493 CB LYS A 31 -9.922 14.848 1.646 1.00 0.00 C ATOM 494 CG LYS A 31 -10.300 13.881 0.535 1.00 0.00 C ATOM 495 CD LYS A 31 -11.787 13.568 0.551 1.00 0.00 C ATOM 496 CE LYS A 31 -12.592 14.714 1.145 1.00 0.00 C ATOM 497 NZ LYS A 31 -14.058 14.492 1.008 1.00 0.00 N ATOM 0 H LYS A 31 -8.042 13.274 1.303 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.354 16.076 0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.109 14.373 2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.570 15.723 1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.028 14.309 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.732 12.958 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.129 13.370 -0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.963 12.661 1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.339 14.827 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.318 15.645 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.571 15.295 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.304 14.409 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.324 13.617 1.502 1.00 0.00 H new ATOM 511 N ASP A 32 -7.316 15.140 3.732 1.00 0.00 N ATOM 512 CA ASP A 32 -6.891 15.603 5.043 1.00 0.00 C ATOM 513 C ASP A 32 -5.420 16.017 5.065 1.00 0.00 C ATOM 514 O ASP A 32 -4.907 16.428 6.106 1.00 0.00 O ATOM 515 CB ASP A 32 -7.141 14.522 6.093 1.00 0.00 C ATOM 516 CG ASP A 32 -7.358 15.099 7.478 1.00 0.00 C ATOM 517 OD1 ASP A 32 -6.356 15.384 8.167 1.00 0.00 O ATOM 518 OD2 ASP A 32 -8.531 15.268 7.874 1.00 0.00 O ATOM 0 H ASP A 32 -7.000 14.200 3.492 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.484 16.487 5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.014 13.936 5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.292 13.839 6.116 1.00 0.00 H new ATOM 523 N LEU A 33 -4.741 15.915 3.926 1.00 0.00 N ATOM 524 CA LEU A 33 -3.331 16.291 3.860 1.00 0.00 C ATOM 525 C LEU A 33 -2.767 16.128 2.453 1.00 0.00 C ATOM 526 O LEU A 33 -1.854 16.850 2.052 1.00 0.00 O ATOM 527 CB LEU A 33 -2.512 15.460 4.850 1.00 0.00 C ATOM 528 CG LEU A 33 -1.897 16.251 6.006 1.00 0.00 C ATOM 529 CD1 LEU A 33 -1.630 15.340 7.193 1.00 0.00 C ATOM 530 CD2 LEU A 33 -0.617 16.938 5.557 1.00 0.00 C ATOM 0 H LEU A 33 -5.136 15.580 3.047 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.261 17.345 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.152 14.680 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.711 14.960 4.306 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.607 17.017 6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.193 15.920 8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.567 14.895 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.939 14.551 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.192 17.496 6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.099 16.189 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.839 17.622 4.738 1.00 0.00 H new ATOM 542 N GLY A 34 -3.315 15.180 1.708 1.00 0.00 N ATOM 543 CA GLY A 34 -2.852 14.944 0.352 1.00 0.00 C ATOM 544 C GLY A 34 -1.402 14.506 0.300 1.00 0.00 C ATOM 545 O GLY A 34 -0.493 15.328 0.410 1.00 0.00 O ATOM 0 H GLY A 34 -4.072 14.569 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.475 14.180 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.974 15.855 -0.234 1.00 0.00 H new ATOM 549 N LEU A 35 -1.187 13.206 0.127 1.00 0.00 N ATOM 550 CA LEU A 35 0.159 12.656 0.059 1.00 0.00 C ATOM 551 C LEU A 35 0.785 12.918 -1.307 1.00 0.00 C ATOM 552 O LEU A 35 0.084 13.030 -2.311 1.00 0.00 O ATOM 553 CB LEU A 35 0.134 11.154 0.343 1.00 0.00 C ATOM 554 CG LEU A 35 -0.930 10.367 -0.426 1.00 0.00 C ATOM 555 CD1 LEU A 35 -0.731 10.525 -1.925 1.00 0.00 C ATOM 556 CD2 LEU A 35 -0.892 8.898 -0.033 1.00 0.00 C ATOM 0 H LEU A 35 -1.930 12.514 0.031 1.00 0.00 H new ATOM 0 HA LEU A 35 0.766 13.151 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.113 10.739 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.026 11.004 1.411 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.910 10.767 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.497 9.959 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.808 11.579 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.255 10.151 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.655 8.353 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.090 8.485 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.084 8.802 1.036 1.00 0.00 H new ATOM 568 N ASN A 36 2.111 13.013 -1.337 1.00 0.00 N ATOM 569 CA ASN A 36 2.832 13.262 -2.579 1.00 0.00 C ATOM 570 C ASN A 36 2.621 12.120 -3.569 1.00 0.00 C ATOM 571 O ASN A 36 2.169 11.038 -3.195 1.00 0.00 O ATOM 572 CB ASN A 36 4.325 13.438 -2.301 1.00 0.00 C ATOM 573 CG ASN A 36 5.050 14.098 -3.452 1.00 0.00 C ATOM 574 OD1 ASN A 36 5.322 15.299 -3.431 1.00 0.00 O ATOM 575 ND2 ASN A 36 5.363 13.307 -4.462 1.00 0.00 N ATOM 0 H ASN A 36 2.707 12.921 -0.515 1.00 0.00 H new ATOM 0 HA ASN A 36 2.440 14.179 -3.018 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.456 14.038 -1.400 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.773 12.464 -2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.853 13.685 -5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.115 12.318 -4.431 1.00 0.00 H new ATOM 582 N SER A 37 2.953 12.368 -4.831 1.00 0.00 N ATOM 583 CA SER A 37 2.802 11.360 -5.873 1.00 0.00 C ATOM 584 C SER A 37 3.716 10.171 -5.617 1.00 0.00 C ATOM 585 O SER A 37 3.256 9.045 -5.423 1.00 0.00 O ATOM 586 CB SER A 37 3.104 11.965 -7.246 1.00 0.00 C ATOM 587 OG SER A 37 3.505 10.965 -8.167 1.00 0.00 O ATOM 0 H SER A 37 3.328 13.259 -5.157 1.00 0.00 H new ATOM 0 HA SER A 37 1.770 11.010 -5.857 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.219 12.478 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.891 12.714 -7.152 1.00 0.00 H new ATOM 0 HG SER A 37 3.691 11.377 -9.037 1.00 0.00 H new ATOM 592 N LEU A 38 5.011 10.438 -5.619 1.00 0.00 N ATOM 593 CA LEU A 38 6.011 9.403 -5.392 1.00 0.00 C ATOM 594 C LEU A 38 5.731 8.648 -4.096 1.00 0.00 C ATOM 595 O LEU A 38 6.318 7.596 -3.838 1.00 0.00 O ATOM 596 CB LEU A 38 7.415 10.017 -5.364 1.00 0.00 C ATOM 597 CG LEU A 38 7.794 10.767 -4.088 1.00 0.00 C ATOM 598 CD1 LEU A 38 8.307 12.159 -4.423 1.00 0.00 C ATOM 599 CD2 LEU A 38 6.615 10.852 -3.132 1.00 0.00 C ATOM 0 H LEU A 38 5.398 11.368 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 38 5.958 8.690 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.141 9.220 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.506 10.703 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 38 8.590 10.210 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.573 12.680 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.187 12.079 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.530 12.717 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.914 11.391 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.792 11.380 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.292 9.846 -2.862 1.00 0.00 H new ATOM 611 N ASP A 39 4.823 9.187 -3.290 1.00 0.00 N ATOM 612 CA ASP A 39 4.459 8.565 -2.026 1.00 0.00 C ATOM 613 C ASP A 39 3.484 7.420 -2.255 1.00 0.00 C ATOM 614 O ASP A 39 3.886 6.302 -2.576 1.00 0.00 O ATOM 615 CB ASP A 39 3.838 9.598 -1.083 1.00 0.00 C ATOM 616 CG ASP A 39 3.079 8.955 0.061 1.00 0.00 C ATOM 617 OD1 ASP A 39 3.729 8.527 1.039 1.00 0.00 O ATOM 618 OD2 ASP A 39 1.835 8.879 -0.020 1.00 0.00 O ATOM 0 H ASP A 39 4.326 10.055 -3.491 1.00 0.00 H new ATOM 0 HA ASP A 39 5.365 8.167 -1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.624 10.237 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.163 10.241 -1.647 1.00 0.00 H new ATOM 623 N VAL A 40 2.201 7.708 -2.091 1.00 0.00 N ATOM 624 CA VAL A 40 1.164 6.704 -2.283 1.00 0.00 C ATOM 625 C VAL A 40 1.568 5.698 -3.355 1.00 0.00 C ATOM 626 O VAL A 40 1.198 4.527 -3.289 1.00 0.00 O ATOM 627 CB VAL A 40 -0.180 7.348 -2.676 1.00 0.00 C ATOM 628 CG1 VAL A 40 -0.484 7.102 -4.146 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.302 6.818 -1.797 1.00 0.00 C ATOM 0 H VAL A 40 1.853 8.629 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 40 1.043 6.188 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.104 8.424 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.437 7.565 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.307 7.535 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.540 6.029 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.243 7.284 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.379 5.737 -1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.089 7.053 -0.754 1.00 0.00 H new ATOM 639 N VAL A 41 2.328 6.161 -4.343 1.00 0.00 N ATOM 640 CA VAL A 41 2.777 5.299 -5.427 1.00 0.00 C ATOM 641 C VAL A 41 3.763 4.248 -4.927 1.00 0.00 C ATOM 642 O VAL A 41 3.601 3.056 -5.190 1.00 0.00 O ATOM 643 CB VAL A 41 3.439 6.110 -6.556 1.00 0.00 C ATOM 644 CG1 VAL A 41 2.390 6.863 -7.359 1.00 0.00 C ATOM 645 CG2 VAL A 41 4.475 7.066 -5.990 1.00 0.00 C ATOM 0 H VAL A 41 2.645 7.128 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 41 1.889 4.802 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 41 3.947 5.417 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.877 7.430 -8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.689 6.153 -7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.851 7.546 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.932 7.630 -6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.994 7.755 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.244 6.500 -5.464 1.00 0.00 H new ATOM 655 N GLU A 42 4.787 4.693 -4.205 1.00 0.00 N ATOM 656 CA GLU A 42 5.792 3.782 -3.674 1.00 0.00 C ATOM 657 C GLU A 42 5.188 2.875 -2.612 1.00 0.00 C ATOM 658 O GLU A 42 5.514 1.691 -2.526 1.00 0.00 O ATOM 659 CB GLU A 42 6.966 4.568 -3.089 1.00 0.00 C ATOM 660 CG GLU A 42 8.058 4.870 -4.101 1.00 0.00 C ATOM 661 CD GLU A 42 9.439 4.904 -3.478 1.00 0.00 C ATOM 662 OE1 GLU A 42 9.643 4.225 -2.450 1.00 0.00 O ATOM 663 OE2 GLU A 42 10.317 5.610 -4.017 1.00 0.00 O ATOM 0 H GLU A 42 4.941 5.675 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 42 6.157 3.161 -4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.595 5.506 -2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.395 4.003 -2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.037 4.116 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.854 5.830 -4.574 1.00 0.00 H new ATOM 670 N VAL A 43 4.305 3.445 -1.808 1.00 0.00 N ATOM 671 CA VAL A 43 3.642 2.707 -0.743 1.00 0.00 C ATOM 672 C VAL A 43 2.686 1.667 -1.309 1.00 0.00 C ATOM 673 O VAL A 43 2.569 0.563 -0.779 1.00 0.00 O ATOM 674 CB VAL A 43 2.875 3.655 0.202 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.967 5.092 -0.289 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.428 3.225 0.343 1.00 0.00 C ATOM 0 H VAL A 43 4.029 4.425 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 43 4.420 2.198 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 43 3.339 3.601 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.420 5.745 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.012 5.399 -0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.535 5.164 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.909 3.909 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.947 3.241 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.387 2.215 0.751 1.00 0.00 H new ATOM 686 N VAL A 44 2.012 2.025 -2.392 1.00 0.00 N ATOM 687 CA VAL A 44 1.072 1.119 -3.035 1.00 0.00 C ATOM 688 C VAL A 44 1.797 -0.119 -3.541 1.00 0.00 C ATOM 689 O VAL A 44 1.258 -1.225 -3.520 1.00 0.00 O ATOM 690 CB VAL A 44 0.339 1.792 -4.212 1.00 0.00 C ATOM 691 CG1 VAL A 44 -0.646 2.834 -3.704 1.00 0.00 C ATOM 692 CG2 VAL A 44 1.334 2.416 -5.178 1.00 0.00 C ATOM 0 H VAL A 44 2.098 2.936 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 44 0.332 0.838 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.221 1.027 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.153 3.298 -4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.382 2.355 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.110 3.597 -3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.796 2.886 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.926 3.168 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.994 1.643 -5.570 1.00 0.00 H new ATOM 702 N PHE A 45 3.033 0.080 -3.985 1.00 0.00 N ATOM 703 CA PHE A 45 3.851 -1.012 -4.486 1.00 0.00 C ATOM 704 C PHE A 45 4.293 -1.913 -3.343 1.00 0.00 C ATOM 705 O PHE A 45 4.468 -3.119 -3.512 1.00 0.00 O ATOM 706 CB PHE A 45 5.072 -0.459 -5.220 1.00 0.00 C ATOM 707 CG PHE A 45 5.113 -0.829 -6.671 1.00 0.00 C ATOM 708 CD1 PHE A 45 5.429 -2.119 -7.055 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.837 0.112 -7.648 1.00 0.00 C ATOM 710 CE1 PHE A 45 5.468 -2.469 -8.391 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.874 -0.230 -8.986 1.00 0.00 C ATOM 712 CZ PHE A 45 5.190 -1.522 -9.359 1.00 0.00 C ATOM 0 H PHE A 45 3.489 0.992 -4.007 1.00 0.00 H new ATOM 0 HA PHE A 45 3.255 -1.601 -5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.080 0.627 -5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.976 -0.826 -4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.648 -2.862 -6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.590 1.124 -7.361 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.715 -3.480 -8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.656 0.512 -9.740 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.220 -1.792 -10.404 1.00 0.00 H new ATOM 722 N ALA A 46 4.468 -1.306 -2.177 1.00 0.00 N ATOM 723 CA ALA A 46 4.886 -2.031 -0.984 1.00 0.00 C ATOM 724 C ALA A 46 3.849 -3.068 -0.582 1.00 0.00 C ATOM 725 O ALA A 46 4.023 -4.267 -0.809 1.00 0.00 O ATOM 726 CB ALA A 46 5.134 -1.059 0.159 1.00 0.00 C ATOM 0 H ALA A 46 4.326 -0.307 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 46 5.814 -2.555 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.446 -1.612 1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.917 -0.356 -0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.217 -0.512 0.377 1.00 0.00 H new ATOM 732 N ILE A 47 2.769 -2.594 0.019 1.00 0.00 N ATOM 733 CA ILE A 47 1.691 -3.467 0.461 1.00 0.00 C ATOM 734 C ILE A 47 1.309 -4.461 -0.629 1.00 0.00 C ATOM 735 O ILE A 47 1.073 -5.637 -0.355 1.00 0.00 O ATOM 736 CB ILE A 47 0.442 -2.661 0.869 1.00 0.00 C ATOM 737 CG1 ILE A 47 -0.160 -1.956 -0.347 1.00 0.00 C ATOM 738 CG2 ILE A 47 0.795 -1.654 1.952 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.488 -0.623 -0.654 1.00 0.00 C ATOM 0 H ILE A 47 2.615 -1.605 0.213 1.00 0.00 H new ATOM 0 HA ILE A 47 2.061 -4.009 1.331 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.302 -3.350 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.066 -2.606 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.226 -1.803 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.096 -1.092 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.180 -2.179 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.554 -0.968 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.011 -0.179 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.371 0.044 0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.549 -0.772 -0.856 1.00 0.00 H new ATOM 751 N GLU A 48 1.254 -3.987 -1.869 1.00 0.00 N ATOM 752 CA GLU A 48 0.904 -4.845 -2.992 1.00 0.00 C ATOM 753 C GLU A 48 1.832 -6.047 -3.051 1.00 0.00 C ATOM 754 O GLU A 48 1.418 -7.155 -3.398 1.00 0.00 O ATOM 755 CB GLU A 48 0.974 -4.061 -4.305 1.00 0.00 C ATOM 756 CG GLU A 48 -0.214 -3.140 -4.529 1.00 0.00 C ATOM 757 CD GLU A 48 -0.113 -2.364 -5.827 1.00 0.00 C ATOM 758 OE1 GLU A 48 -0.382 -2.954 -6.894 1.00 0.00 O ATOM 759 OE2 GLU A 48 0.235 -1.166 -5.776 1.00 0.00 O ATOM 0 H GLU A 48 1.447 -3.017 -2.120 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.117 -5.199 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.889 -3.469 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.039 -4.764 -5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.131 -3.730 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.289 -2.440 -3.697 1.00 0.00 H new ATOM 766 N GLN A 49 3.088 -5.820 -2.698 1.00 0.00 N ATOM 767 CA GLN A 49 4.089 -6.877 -2.698 1.00 0.00 C ATOM 768 C GLN A 49 3.739 -7.950 -1.674 1.00 0.00 C ATOM 769 O GLN A 49 3.708 -9.139 -1.993 1.00 0.00 O ATOM 770 CB GLN A 49 5.473 -6.299 -2.398 1.00 0.00 C ATOM 771 CG GLN A 49 6.045 -5.466 -3.534 1.00 0.00 C ATOM 772 CD GLN A 49 5.317 -5.692 -4.845 1.00 0.00 C ATOM 773 OE1 GLN A 49 5.253 -6.813 -5.348 1.00 0.00 O ATOM 774 NE2 GLN A 49 4.763 -4.622 -5.405 1.00 0.00 N ATOM 0 H GLN A 49 3.440 -4.908 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 49 4.103 -7.333 -3.688 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.413 -5.682 -1.501 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.159 -7.117 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.990 -4.410 -3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.100 -5.708 -3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.841 -3.711 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.260 -4.711 -6.288 1.00 0.00 H new ATOM 783 N GLU A 50 3.478 -7.526 -0.440 1.00 0.00 N ATOM 784 CA GLU A 50 3.136 -8.453 0.623 1.00 0.00 C ATOM 785 C GLU A 50 1.629 -8.481 0.872 1.00 0.00 C ATOM 786 O GLU A 50 1.181 -8.631 2.008 1.00 0.00 O ATOM 787 CB GLU A 50 3.871 -8.078 1.912 1.00 0.00 C ATOM 788 CG GLU A 50 3.308 -6.842 2.595 1.00 0.00 C ATOM 789 CD GLU A 50 3.756 -6.720 4.039 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.171 -7.745 4.620 1.00 0.00 O ATOM 791 OE2 GLU A 50 3.692 -5.599 4.587 1.00 0.00 O ATOM 0 H GLU A 50 3.498 -6.546 -0.157 1.00 0.00 H new ATOM 0 HA GLU A 50 3.447 -9.449 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.825 -8.918 2.604 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.924 -7.910 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.619 -5.954 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.219 -6.875 2.558 1.00 0.00 H new ATOM 798 N PHE A 51 0.855 -8.339 -0.199 1.00 0.00 N ATOM 799 CA PHE A 51 -0.594 -8.350 -0.101 1.00 0.00 C ATOM 800 C PHE A 51 -1.223 -9.240 -1.174 1.00 0.00 C ATOM 801 O PHE A 51 -2.352 -9.703 -1.019 1.00 0.00 O ATOM 802 CB PHE A 51 -1.153 -6.929 -0.213 1.00 0.00 C ATOM 803 CG PHE A 51 -1.113 -6.160 1.077 1.00 0.00 C ATOM 804 CD1 PHE A 51 0.072 -6.021 1.781 1.00 0.00 C ATOM 805 CD2 PHE A 51 -2.263 -5.575 1.582 1.00 0.00 C ATOM 806 CE1 PHE A 51 0.109 -5.311 2.966 1.00 0.00 C ATOM 807 CE2 PHE A 51 -2.231 -4.864 2.766 1.00 0.00 C ATOM 808 CZ PHE A 51 -1.044 -4.731 3.460 1.00 0.00 C ATOM 0 H PHE A 51 1.212 -8.215 -1.146 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.851 -8.760 0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.587 -6.384 -0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.184 -6.980 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.976 -6.472 1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.194 -5.676 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.039 -5.209 3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.134 -4.412 3.149 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.017 -4.175 4.386 1.00 0.00 H new ATOM 818 N ILE A 52 -0.492 -9.472 -2.262 1.00 0.00 N ATOM 819 CA ILE A 52 -0.993 -10.303 -3.351 1.00 0.00 C ATOM 820 C ILE A 52 -2.196 -9.650 -4.024 1.00 0.00 C ATOM 821 O ILE A 52 -3.128 -10.330 -4.451 1.00 0.00 O ATOM 822 CB ILE A 52 -1.395 -11.702 -2.850 1.00 0.00 C ATOM 823 CG1 ILE A 52 -0.330 -12.251 -1.904 1.00 0.00 C ATOM 824 CG2 ILE A 52 -1.613 -12.646 -4.022 1.00 0.00 C ATOM 825 CD1 ILE A 52 -0.776 -12.305 -0.460 1.00 0.00 C ATOM 0 H ILE A 52 0.445 -9.098 -2.412 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.184 -10.405 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.333 -11.620 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.050 -13.254 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.564 -11.631 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.896 -13.630 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.407 -12.257 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.692 -12.728 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.030 -12.705 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.028 -11.301 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.652 -12.948 -0.373 1.00 0.00 H new ATOM 837 N LEU A 53 -2.160 -8.326 -4.115 1.00 0.00 N ATOM 838 CA LEU A 53 -3.238 -7.569 -4.737 1.00 0.00 C ATOM 839 C LEU A 53 -2.814 -6.122 -4.966 1.00 0.00 C ATOM 840 O LEU A 53 -2.167 -5.513 -4.116 1.00 0.00 O ATOM 841 CB LEU A 53 -4.495 -7.617 -3.867 1.00 0.00 C ATOM 842 CG LEU A 53 -5.767 -8.062 -4.590 1.00 0.00 C ATOM 843 CD1 LEU A 53 -6.561 -6.854 -5.064 1.00 0.00 C ATOM 844 CD2 LEU A 53 -5.422 -8.968 -5.762 1.00 0.00 C ATOM 0 H LEU A 53 -1.392 -7.753 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.462 -8.023 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.315 -8.294 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.663 -6.627 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.384 -8.625 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.463 -7.189 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.838 -6.241 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.952 -6.265 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.338 -9.276 -6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.786 -8.429 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.895 -9.850 -5.397 1.00 0.00 H new ATOM 856 N ASP A 54 -3.177 -5.578 -6.123 1.00 0.00 N ATOM 857 CA ASP A 54 -2.828 -4.209 -6.463 1.00 0.00 C ATOM 858 C ASP A 54 -3.767 -3.217 -5.786 1.00 0.00 C ATOM 859 O ASP A 54 -4.965 -3.470 -5.654 1.00 0.00 O ATOM 860 CB ASP A 54 -2.867 -4.012 -7.980 1.00 0.00 C ATOM 861 CG ASP A 54 -2.024 -5.033 -8.718 1.00 0.00 C ATOM 862 OD1 ASP A 54 -2.544 -6.130 -9.015 1.00 0.00 O ATOM 863 OD2 ASP A 54 -0.844 -4.736 -8.999 1.00 0.00 O ATOM 0 H ASP A 54 -3.713 -6.067 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.816 -4.022 -6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.899 -4.079 -8.326 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.514 -3.010 -8.223 1.00 0.00 H new ATOM 868 N ILE A 55 -3.213 -2.087 -5.357 1.00 0.00 N ATOM 869 CA ILE A 55 -3.993 -1.057 -4.693 1.00 0.00 C ATOM 870 C ILE A 55 -4.200 0.156 -5.597 1.00 0.00 C ATOM 871 O ILE A 55 -5.282 0.742 -5.627 1.00 0.00 O ATOM 872 CB ILE A 55 -3.323 -0.601 -3.381 1.00 0.00 C ATOM 873 CG1 ILE A 55 -4.293 -0.751 -2.208 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.845 0.839 -3.499 1.00 0.00 C ATOM 875 CD1 ILE A 55 -5.197 0.447 -2.016 1.00 0.00 C ATOM 0 H ILE A 55 -2.223 -1.864 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.962 -1.499 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.456 -1.236 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.907 -1.638 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.723 -0.916 -1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.375 1.144 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.122 0.917 -4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.695 1.489 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.858 0.272 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.591 1.333 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.794 0.600 -2.915 1.00 0.00 H new ATOM 887 N PRO A 56 -3.157 0.552 -6.344 1.00 0.00 N ATOM 888 CA PRO A 56 -3.225 1.703 -7.251 1.00 0.00 C ATOM 889 C PRO A 56 -4.422 1.632 -8.192 1.00 0.00 C ATOM 890 O PRO A 56 -5.406 0.948 -7.911 1.00 0.00 O ATOM 891 CB PRO A 56 -1.918 1.612 -8.039 1.00 0.00 C ATOM 892 CG PRO A 56 -0.984 0.884 -7.137 1.00 0.00 C ATOM 893 CD PRO A 56 -1.832 -0.090 -6.366 1.00 0.00 C ATOM 0 HA PRO A 56 -3.347 2.641 -6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.058 1.078 -8.979 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.536 2.602 -8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.214 0.365 -7.708 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.472 1.573 -6.465 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.866 -1.065 -6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.446 -0.249 -5.359 1.00 0.00 H new ATOM 901 N ASP A 57 -4.332 2.344 -9.310 1.00 0.00 N ATOM 902 CA ASP A 57 -5.408 2.364 -10.292 1.00 0.00 C ATOM 903 C ASP A 57 -6.637 3.076 -9.735 1.00 0.00 C ATOM 904 O ASP A 57 -6.536 3.864 -8.795 1.00 0.00 O ATOM 905 CB ASP A 57 -5.775 0.938 -10.708 1.00 0.00 C ATOM 906 CG ASP A 57 -4.586 0.172 -11.254 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.823 -0.396 -10.446 1.00 0.00 O ATOM 908 OD2 ASP A 57 -4.419 0.139 -12.492 1.00 0.00 O ATOM 0 H ASP A 57 -3.524 2.915 -9.558 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.058 2.911 -11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.184 0.406 -9.849 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.559 0.973 -11.464 1.00 0.00 H new ATOM 913 N HIS A 58 -7.795 2.793 -10.321 1.00 0.00 N ATOM 914 CA HIS A 58 -9.042 3.406 -9.880 1.00 0.00 C ATOM 915 C HIS A 58 -9.340 3.049 -8.428 1.00 0.00 C ATOM 916 O HIS A 58 -10.106 3.738 -7.754 1.00 0.00 O ATOM 917 CB HIS A 58 -10.200 2.960 -10.776 1.00 0.00 C ATOM 918 CG HIS A 58 -10.277 3.708 -12.070 1.00 0.00 C ATOM 919 ND1 HIS A 58 -11.258 3.481 -13.013 1.00 0.00 N ATOM 920 CD2 HIS A 58 -9.491 4.687 -12.577 1.00 0.00 C ATOM 921 CE1 HIS A 58 -11.070 4.285 -14.044 1.00 0.00 C ATOM 922 NE2 HIS A 58 -10.006 5.028 -13.804 1.00 0.00 N ATOM 0 H HIS A 58 -7.896 2.144 -11.101 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.931 4.488 -9.954 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.097 1.896 -10.987 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.138 3.088 -10.235 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.621 5.119 -12.105 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -11.683 4.327 -14.932 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.627 5.740 -14.428 1.00 0.00 H new ATOM 931 N ASP A 59 -8.732 1.967 -7.953 1.00 0.00 N ATOM 932 CA ASP A 59 -8.933 1.517 -6.583 1.00 0.00 C ATOM 933 C ASP A 59 -8.290 2.479 -5.590 1.00 0.00 C ATOM 934 O ASP A 59 -8.893 2.838 -4.579 1.00 0.00 O ATOM 935 CB ASP A 59 -8.356 0.112 -6.396 1.00 0.00 C ATOM 936 CG ASP A 59 -8.252 -0.649 -7.703 1.00 0.00 C ATOM 937 OD1 ASP A 59 -9.200 -0.571 -8.513 1.00 0.00 O ATOM 938 OD2 ASP A 59 -7.223 -1.324 -7.918 1.00 0.00 O ATOM 0 H ASP A 59 -8.095 1.386 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.006 1.492 -6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.368 0.186 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.985 -0.447 -5.703 1.00 0.00 H new ATOM 943 N ALA A 60 -7.061 2.893 -5.884 1.00 0.00 N ATOM 944 CA ALA A 60 -6.337 3.811 -5.017 1.00 0.00 C ATOM 945 C ALA A 60 -6.881 5.228 -5.140 1.00 0.00 C ATOM 946 O ALA A 60 -6.771 6.031 -4.214 1.00 0.00 O ATOM 947 CB ALA A 60 -4.851 3.782 -5.339 1.00 0.00 C ATOM 0 H ALA A 60 -6.547 2.606 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.479 3.485 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.323 4.474 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.466 2.773 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.698 4.078 -6.377 1.00 0.00 H new ATOM 953 N GLU A 61 -7.468 5.526 -6.292 1.00 0.00 N ATOM 954 CA GLU A 61 -8.031 6.844 -6.546 1.00 0.00 C ATOM 955 C GLU A 61 -9.419 6.973 -5.929 1.00 0.00 C ATOM 956 O GLU A 61 -9.796 8.038 -5.440 1.00 0.00 O ATOM 957 CB GLU A 61 -8.102 7.111 -8.051 1.00 0.00 C ATOM 958 CG GLU A 61 -6.771 6.935 -8.764 1.00 0.00 C ATOM 959 CD GLU A 61 -5.884 8.160 -8.654 1.00 0.00 C ATOM 960 OE1 GLU A 61 -6.392 9.224 -8.243 1.00 0.00 O ATOM 961 OE2 GLU A 61 -4.683 8.054 -8.978 1.00 0.00 O ATOM 0 H GLU A 61 -7.566 4.870 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.378 7.584 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.835 6.439 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.461 8.127 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.249 6.075 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.953 6.716 -9.816 1.00 0.00 H new ATOM 968 N LYS A 62 -10.177 5.880 -5.957 1.00 0.00 N ATOM 969 CA LYS A 62 -11.523 5.870 -5.404 1.00 0.00 C ATOM 970 C LYS A 62 -11.488 5.860 -3.878 1.00 0.00 C ATOM 971 O LYS A 62 -12.510 5.645 -3.226 1.00 0.00 O ATOM 972 CB LYS A 62 -12.297 4.653 -5.915 1.00 0.00 C ATOM 973 CG LYS A 62 -12.601 4.707 -7.403 1.00 0.00 C ATOM 974 CD LYS A 62 -14.091 4.579 -7.673 1.00 0.00 C ATOM 975 CE LYS A 62 -14.511 5.394 -8.886 1.00 0.00 C ATOM 976 NZ LYS A 62 -15.159 6.676 -8.498 1.00 0.00 N ATOM 0 H LYS A 62 -9.879 4.990 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.028 6.779 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.722 3.752 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.234 4.571 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.235 5.647 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.068 3.905 -7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.344 3.531 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.650 4.912 -6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.637 5.602 -9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.200 4.809 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.430 7.201 -9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.007 6.478 -7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.493 7.246 -7.938 1.00 0.00 H new ATOM 990 N ILE A 63 -10.307 6.092 -3.315 1.00 0.00 N ATOM 991 CA ILE A 63 -10.140 6.109 -1.872 1.00 0.00 C ATOM 992 C ILE A 63 -9.944 7.529 -1.356 1.00 0.00 C ATOM 993 O ILE A 63 -9.017 8.228 -1.767 1.00 0.00 O ATOM 994 CB ILE A 63 -8.944 5.241 -1.434 1.00 0.00 C ATOM 995 CG1 ILE A 63 -9.385 4.217 -0.387 1.00 0.00 C ATOM 996 CG2 ILE A 63 -7.823 6.114 -0.890 1.00 0.00 C ATOM 997 CD1 ILE A 63 -9.011 2.793 -0.740 1.00 0.00 C ATOM 0 H ILE A 63 -9.451 6.271 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.053 5.696 -1.444 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.568 4.704 -2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.937 4.475 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.466 4.280 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.987 5.485 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.493 6.807 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.185 6.677 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.355 2.121 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.481 2.517 -1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.928 2.715 -0.837 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.824 7.952 -0.453 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.752 9.282 0.119 1.00 0.00 C ATOM 1011 C GLN A 64 -10.531 9.219 1.627 1.00 0.00 C ATOM 1012 O GLN A 64 -9.899 10.101 2.208 1.00 0.00 O ATOM 1013 CB GLN A 64 -12.027 10.067 -0.193 1.00 0.00 C ATOM 1014 CG GLN A 64 -12.295 10.229 -1.680 1.00 0.00 C ATOM 1015 CD GLN A 64 -13.332 9.251 -2.195 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -14.478 9.622 -2.453 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -12.935 7.993 -2.347 1.00 0.00 N ATOM 0 H GLN A 64 -11.597 7.386 -0.104 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.902 9.795 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.876 9.562 0.267 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.957 11.054 0.264 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.632 11.247 -1.876 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.365 10.090 -2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.976 7.730 -2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.589 7.290 -2.690 1.00 0.00 H new ATOM 1026 N SER A 65 -11.055 8.171 2.254 1.00 0.00 N ATOM 1027 CA SER A 65 -10.916 7.994 3.695 1.00 0.00 C ATOM 1028 C SER A 65 -9.740 7.079 4.019 1.00 0.00 C ATOM 1029 O SER A 65 -9.462 6.126 3.291 1.00 0.00 O ATOM 1030 CB SER A 65 -12.204 7.418 4.285 1.00 0.00 C ATOM 1031 OG SER A 65 -13.343 8.095 3.783 1.00 0.00 O ATOM 0 H SER A 65 -11.580 7.431 1.787 1.00 0.00 H new ATOM 0 HA SER A 65 -10.726 8.971 4.140 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.274 6.357 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.178 7.500 5.372 1.00 0.00 H new ATOM 0 HG SER A 65 -14.153 7.707 4.174 1.00 0.00 H new ATOM 1037 N ILE A 66 -9.052 7.375 5.118 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.907 6.582 5.540 1.00 0.00 C ATOM 1039 C ILE A 66 -8.323 5.161 5.910 1.00 0.00 C ATOM 1040 O ILE A 66 -7.695 4.189 5.489 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.193 7.223 6.746 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.051 8.732 6.543 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.830 6.580 6.958 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -5.780 9.127 5.824 1.00 0.00 C ATOM 0 H ILE A 66 -9.270 8.160 5.732 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.221 6.548 4.694 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.796 7.053 7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.908 9.097 5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.078 9.225 7.515 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.338 7.043 7.813 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.956 5.514 7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.218 6.722 6.067 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.746 10.211 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.917 8.793 6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.760 8.662 4.838 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.394 5.027 6.707 1.00 0.00 N ATOM 1057 CA PRO A 67 -9.900 3.720 7.141 1.00 0.00 C ATOM 1058 C PRO A 67 -10.466 2.902 5.986 1.00 0.00 C ATOM 1059 O PRO A 67 -10.357 1.677 5.969 1.00 0.00 O ATOM 1060 CB PRO A 67 -11.006 4.075 8.138 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.427 5.456 7.767 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.193 6.139 7.249 1.00 0.00 C ATOM 0 HA PRO A 67 -9.109 3.101 7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.839 3.376 8.069 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.641 4.035 9.164 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.209 5.435 7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.833 5.985 8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.432 6.874 6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.663 6.667 8.041 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.074 3.586 5.022 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.658 2.919 3.865 1.00 0.00 C ATOM 1072 C ASP A 68 -10.578 2.272 3.007 1.00 0.00 C ATOM 1073 O ASP A 68 -10.826 1.284 2.316 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.464 3.914 3.029 1.00 0.00 C ATOM 1075 CG ASP A 68 -11.581 4.790 2.162 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -10.502 4.319 1.746 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -11.969 5.948 1.900 1.00 0.00 O ATOM 0 H ASP A 68 -11.175 4.601 5.020 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.325 2.136 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.164 3.369 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.058 4.544 3.692 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.379 2.840 3.056 1.00 0.00 N ATOM 1083 CA ALA A 69 -8.257 2.329 2.285 1.00 0.00 C ATOM 1084 C ALA A 69 -7.705 1.049 2.896 1.00 0.00 C ATOM 1085 O ALA A 69 -7.774 -0.025 2.294 1.00 0.00 O ATOM 1086 CB ALA A 69 -7.164 3.382 2.184 1.00 0.00 C ATOM 0 H ALA A 69 -9.160 3.658 3.625 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.616 2.094 1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.330 2.986 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.559 4.270 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.818 3.645 3.184 1.00 0.00 H new ATOM 1092 N VAL A 70 -7.155 1.176 4.091 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.581 0.040 4.797 1.00 0.00 C ATOM 1094 C VAL A 70 -7.655 -0.975 5.168 1.00 0.00 C ATOM 1095 O VAL A 70 -7.353 -2.120 5.499 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.848 0.485 6.077 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -5.685 -0.686 7.034 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.497 1.093 5.733 1.00 0.00 C ATOM 0 H VAL A 70 -7.093 2.060 4.597 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.864 -0.424 4.119 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.449 1.247 6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.165 -0.352 7.932 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.667 -1.073 7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.106 -1.473 6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.993 1.402 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.887 0.354 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.642 1.960 5.089 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.911 -0.545 5.108 1.00 0.00 N ATOM 1109 CA GLU A 71 -10.030 -1.415 5.434 1.00 0.00 C ATOM 1110 C GLU A 71 -10.218 -2.481 4.361 1.00 0.00 C ATOM 1111 O GLU A 71 -10.411 -3.658 4.667 1.00 0.00 O ATOM 1112 CB GLU A 71 -11.313 -0.596 5.587 1.00 0.00 C ATOM 1113 CG GLU A 71 -11.564 -0.117 7.008 1.00 0.00 C ATOM 1114 CD GLU A 71 -12.301 -1.144 7.847 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -12.524 -2.267 7.349 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -12.653 -0.824 9.001 1.00 0.00 O ATOM 0 H GLU A 71 -9.177 0.401 4.836 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.810 -1.911 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.263 0.268 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.160 -1.199 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.611 0.118 7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.142 0.806 6.980 1.00 0.00 H new ATOM 1123 N TYR A 72 -10.162 -2.061 3.101 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.328 -2.977 1.982 1.00 0.00 C ATOM 1125 C TYR A 72 -9.157 -3.947 1.892 1.00 0.00 C ATOM 1126 O TYR A 72 -9.344 -5.157 1.779 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.468 -2.200 0.672 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.320 -2.417 -0.287 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -8.181 -1.625 -0.227 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -9.376 -3.414 -1.253 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.130 -1.820 -1.102 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -8.329 -3.615 -2.132 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.208 -2.816 -2.053 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.164 -3.014 -2.926 1.00 0.00 O ATOM 0 H TYR A 72 -10.003 -1.090 2.831 1.00 0.00 H new ATOM 0 HA TYR A 72 -11.238 -3.553 2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.398 -2.492 0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.546 -1.136 0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.116 -0.844 0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.252 -4.042 -1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.251 -1.195 -1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.388 -4.394 -2.877 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.379 -3.755 -3.531 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.951 -3.403 1.945 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.744 -4.216 1.872 1.00 0.00 C ATOM 1146 C ILE A 73 -6.589 -5.080 3.116 1.00 0.00 C ATOM 1147 O ILE A 73 -6.000 -6.158 3.070 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.477 -3.353 1.697 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.613 -2.038 2.469 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.212 -3.098 0.220 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.639 -0.809 1.585 1.00 0.00 C ATOM 0 H ILE A 73 -7.781 -2.402 2.038 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.854 -4.855 0.996 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.624 -3.895 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.528 -2.068 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.783 -1.952 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.315 -2.488 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.069 -4.049 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.062 -2.574 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.737 0.083 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.713 -0.753 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.485 -0.871 0.901 1.00 0.00 H new ATOM 1163 N ALA A 74 -7.122 -4.598 4.228 1.00 0.00 N ATOM 1164 CA ALA A 74 -7.044 -5.323 5.488 1.00 0.00 C ATOM 1165 C ALA A 74 -7.811 -6.636 5.415 1.00 0.00 C ATOM 1166 O ALA A 74 -7.378 -7.656 5.951 1.00 0.00 O ATOM 1167 CB ALA A 74 -7.569 -4.462 6.627 1.00 0.00 C ATOM 0 H ALA A 74 -7.614 -3.706 4.284 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.997 -5.557 5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.504 -5.017 7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.971 -3.554 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.608 -4.197 6.433 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.954 -6.600 4.747 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.794 -7.779 4.605 1.00 0.00 C ATOM 1175 C GLN A 75 -9.254 -8.705 3.527 1.00 0.00 C ATOM 1176 O GLN A 75 -9.096 -9.907 3.747 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.231 -7.374 4.277 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.852 -6.446 5.308 1.00 0.00 C ATOM 1179 CD GLN A 75 -11.111 -6.466 6.631 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -11.052 -7.492 7.307 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -10.541 -5.326 7.007 1.00 0.00 N ATOM 0 H GLN A 75 -9.322 -5.764 4.293 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.786 -8.315 5.554 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.248 -6.885 3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.843 -8.272 4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.862 -5.429 4.917 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.890 -6.734 5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.615 -4.499 6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.029 -5.278 7.888 1.00 0.00 H new ATOM 1190 N ASN A 76 -8.962 -8.140 2.369 1.00 0.00 N ATOM 1191 CA ASN A 76 -8.425 -8.921 1.265 1.00 0.00 C ATOM 1192 C ASN A 76 -7.389 -9.909 1.787 1.00 0.00 C ATOM 1193 O ASN A 76 -7.695 -11.077 2.025 1.00 0.00 O ATOM 1194 CB ASN A 76 -7.799 -8.003 0.212 1.00 0.00 C ATOM 1195 CG ASN A 76 -8.721 -7.763 -0.967 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -8.853 -8.610 -1.851 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -9.366 -6.602 -0.986 1.00 0.00 N ATOM 0 H ASN A 76 -9.086 -7.148 2.167 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.240 -9.473 0.797 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.545 -7.048 0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.867 -8.444 -0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.000 -6.384 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.227 -5.929 -0.232 1.00 0.00 H new ATOM 1204 N PRO A 77 -6.147 -9.445 1.984 1.00 0.00 N ATOM 1205 CA PRO A 77 -5.057 -10.281 2.494 1.00 0.00 C ATOM 1206 C PRO A 77 -5.424 -10.972 3.804 1.00 0.00 C ATOM 1207 O PRO A 77 -5.013 -12.106 4.050 1.00 0.00 O ATOM 1208 CB PRO A 77 -3.903 -9.291 2.715 1.00 0.00 C ATOM 1209 CG PRO A 77 -4.525 -7.935 2.646 1.00 0.00 C ATOM 1210 CD PRO A 77 -5.706 -8.072 1.732 1.00 0.00 C ATOM 0 HA PRO A 77 -4.810 -11.087 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.424 -9.455 3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.133 -9.409 1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.833 -7.596 3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.818 -7.200 2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.485 -7.347 1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.431 -7.920 0.688 1.00 0.00 H new ATOM 1218 N MET A 78 -6.198 -10.289 4.646 1.00 0.00 N ATOM 1219 CA MET A 78 -6.611 -10.855 5.925 1.00 0.00 C ATOM 1220 C MET A 78 -7.272 -12.214 5.727 1.00 0.00 C ATOM 1221 O MET A 78 -7.376 -13.009 6.663 1.00 0.00 O ATOM 1222 CB MET A 78 -7.573 -9.908 6.643 1.00 0.00 C ATOM 1223 CG MET A 78 -8.462 -10.602 7.663 1.00 0.00 C ATOM 1224 SD MET A 78 -10.072 -9.809 7.833 1.00 0.00 S ATOM 1225 CE MET A 78 -11.069 -11.185 8.398 1.00 0.00 C ATOM 0 H MET A 78 -6.549 -9.348 4.465 1.00 0.00 H new ATOM 0 HA MET A 78 -5.720 -10.987 6.539 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.997 -9.130 7.145 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.201 -9.412 5.903 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.603 -11.642 7.369 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.961 -10.609 8.631 1.00 0.00 H new ATOM 0 HE1 MET A 78 -12.096 -10.852 8.549 1.00 0.00 H new ATOM 0 HE2 MET A 78 -11.051 -11.978 7.651 1.00 0.00 H new ATOM 0 HE3 MET A 78 -10.668 -11.563 9.338 1.00 0.00 H new ATOM 1235 N ALA A 79 -7.720 -12.476 4.503 1.00 0.00 N ATOM 1236 CA ALA A 79 -8.367 -13.731 4.179 1.00 0.00 C ATOM 1237 C ALA A 79 -7.553 -14.530 3.172 1.00 0.00 C ATOM 1238 O ALA A 79 -7.256 -15.705 3.384 1.00 0.00 O ATOM 1239 CB ALA A 79 -9.773 -13.483 3.653 1.00 0.00 C ATOM 0 H ALA A 79 -7.643 -11.828 3.719 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.434 -14.320 5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.245 -14.436 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.360 -12.967 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.722 -12.868 2.755 1.00 0.00 H new ATOM 1245 N LYS A 80 -7.199 -13.880 2.075 1.00 0.00 N ATOM 1246 CA LYS A 80 -6.418 -14.515 1.021 1.00 0.00 C ATOM 1247 C LYS A 80 -5.040 -14.921 1.534 1.00 0.00 C ATOM 1248 O LYS A 80 -4.492 -14.198 2.393 1.00 0.00 O ATOM 1249 CB LYS A 80 -6.272 -13.572 -0.175 1.00 0.00 C ATOM 1250 CG LYS A 80 -6.108 -12.112 0.218 1.00 0.00 C ATOM 1251 CD LYS A 80 -4.818 -11.526 -0.333 1.00 0.00 C ATOM 1252 CE LYS A 80 -3.624 -12.412 -0.015 1.00 0.00 C ATOM 1253 NZ LYS A 80 -2.933 -11.985 1.233 1.00 0.00 N ATOM 1254 OXT LYS A 80 -4.521 -15.960 1.074 1.00 0.00 O ATOM 0 H LYS A 80 -7.441 -12.907 1.889 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.947 -15.413 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.410 -13.880 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.149 -13.671 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.957 -11.537 -0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.113 -12.024 1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.905 -11.404 -1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.659 -10.533 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.956 -13.445 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.920 -12.385 -0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.135 -12.624 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.579 -11.014 1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.602 -12.018 2.029 1.00 0.00 H new